N E dE d eps ncg rms rms(c) DAV: 1 0.125479686750E+05 0.12548E+05 -0.30825E+05 4656 0.222E+03 DAV: 2 0.138889161298E+04 -0.11159E+05 -0.10494E+05 4608 0.703E+02 DAV: 3 -0.231154244684E+03 -0.16200E+04 -0.13601E+04 4608 0.298E+02 DAV: 4 -0.373064015688E+03 -0.14191E+03 -0.13475E+03 5632 0.106E+02 DAV: 5 -0.377059264019E+03 -0.39952E+01 -0.39602E+01 6536 0.172E+01 0.535E+01 RMM: 6 -0.432602748805E+03 -0.55543E+02 -0.25069E+02 4807 0.432E+01 0.997E+01 RMM: 7 -0.358010185946E+03 0.74593E+02 -0.67026E+01 4739 0.220E+01 0.536E+01 RMM: 8 -0.363833683783E+03 -0.58235E+01 -0.29251E+01 4734 0.142E+01 0.623E+01 RMM: 9 -0.337264970692E+03 0.26569E+02 -0.13490E+01 4632 0.101E+01 0.181E+01 RMM: 10 -0.335646425749E+03 0.16185E+01 -0.19606E+00 4810 0.363E+00 0.116E+01 RMM: 11 -0.335380586192E+03 0.26584E+00 -0.93213E-01 5038 0.249E+00 0.117E+01 RMM: 12 -0.334433216102E+03 0.94737E+00 -0.57967E-01 4675 0.202E+00 0.373E+00 RMM: 13 -0.334470956130E+03 -0.37740E-01 -0.20350E-01 4957 0.115E+00 0.455E+00 RMM: 14 -0.334344841942E+03 0.12611E+00 -0.82921E-02 4815 0.778E-01 0.190E+00 RMM: 15 -0.334323528375E+03 0.21314E-01 -0.20686E-02 5155 0.384E-01 0.807E-01 RMM: 16 -0.334329030072E+03 -0.55017E-02 -0.95684E-03 4939 0.254E-01 0.116E+00 RMM: 17 -0.334321564176E+03 0.74659E-02 -0.54095E-03 4669 0.205E-01 0.354E-01 RMM: 18 -0.334321068083E+03 0.49609E-03 -0.83453E-04 4624 0.741E-02 0.238E-01 RMM: 19 -0.334321061447E+03 0.66354E-05 -0.41734E-04 4356 0.534E-02 0.252E-01 RMM: 20 -0.334320631628E+03 0.42982E-03 -0.20957E-04 3882 0.402E-02 0.725E-02 RMM: 21 -0.334320636720E+03 -0.50913E-05 -0.80471E-05 3552 0.247E-02 1 T= 6452. E= 0.67448868E+03 F= 0.62194835E+03 E0= 0.65031322E+03 EK= 0.52540E+02 SP= 0.00E+00 SK= 0.17E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.328465582048E+03 0.58550E+01 -0.62845E+01 7080 0.934E+01 0.449E+00 RMM: 2 -0.335090598210E+03 -0.66250E+01 -0.54486E+01 7459 0.157E+01 0.143E+01 RMM: 3 -0.333843120156E+03 0.12475E+01 -0.19386E+00 5328 0.327E+00 0.317E+00 RMM: 4 -0.333866004351E+03 -0.22884E-01 -0.21024E-01 5328 0.103E+00 0.395E+00 RMM: 5 -0.333762375177E+03 0.10363E+00 -0.46959E-02 5328 0.555E-01 0.151E+00 RMM: 6 -0.333756943076E+03 0.54321E-02 -0.10529E-02 5327 0.234E-01 0.137E+00 RMM: 7 -0.333749830876E+03 0.71122E-02 -0.12915E-02 4608 0.338E-01 0.137E+00 RMM: 8 -0.333736307844E+03 0.13523E-01 -0.86536E-03 4710 0.282E-01 0.474E-01 RMM: 9 -0.333735861934E+03 0.44591E-03 -0.35968E-03 5328 0.156E-01 0.436E-01 RMM: 10 -0.333734744132E+03 0.11178E-02 -0.15398E-03 5313 0.108E-01 0.223E-01 RMM: 11 -0.333734448915E+03 0.29522E-03 -0.29640E-04 4614 0.431E-02 0.842E-02 RMM: 12 -0.333734514522E+03 -0.65607E-04 -0.11998E-04 3779 0.298E-02 0.131E-01 RMM: 13 -0.333734402269E+03 0.11225E-03 -0.61521E-05 3367 0.249E-02 0.305E-02 RMM: 14 -0.333734405949E+03 -0.36799E-05 -0.17377E-05 2515 0.126E-02 2 T= 6380. E= 0.67448866E+03 F= 0.62253458E+03 E0= 0.65088288E+03 EK= 0.51956E+02 SP= -.18E-02 SK= 0.34E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.332933194669E+03 0.80121E+00 -0.59452E-01 8528 0.257E+01 0.830E-01 RMM: 2 -0.333113983345E+03 -0.18079E+00 -0.15775E+00 5346 0.328E+00 0.263E+00 RMM: 3 -0.333072137673E+03 0.41846E-01 -0.13880E-01 5772 0.750E-01 0.722E-01 RMM: 4 -0.333068447393E+03 0.36903E-02 -0.10494E-02 5333 0.256E-01 0.748E-01 RMM: 5 -0.333064356500E+03 0.40909E-02 -0.27577E-03 5329 0.135E-01 0.274E-01 RMM: 6 -0.333064051038E+03 0.30546E-03 -0.61702E-04 4505 0.559E-02 0.243E-01 RMM: 7 -0.333063504057E+03 0.54698E-03 -0.50614E-04 4509 0.582E-02 0.171E-01 RMM: 8 -0.333063319271E+03 0.18479E-03 -0.17327E-04 3886 0.323E-02 0.125E-01 RMM: 9 -0.333063195924E+03 0.12335E-03 -0.35376E-04 4465 0.489E-02 0.135E-01 RMM: 10 -0.333063039483E+03 0.15644E-03 -0.18677E-04 3888 0.353E-02 0.437E-02 RMM: 11 -0.333063036114E+03 0.33692E-05 -0.39523E-05 2632 0.174E-02 3 T= 6299. E= 0.67448985E+03 F= 0.62320595E+03 E0= 0.65153851E+03 EK= 0.51292E+02 SP= -.83E-02 SK= 0.21E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332290554754E+03 0.77248E+00 -0.12998E-01 8072 0.237E+01 0.172E-01 RMM: 2 -0.332303069774E+03 -0.12515E-01 -0.95972E-02 4682 0.950E-01 0.779E-01 RMM: 3 -0.332299716997E+03 0.33528E-02 -0.13300E-02 5746 0.246E-01 0.148E-01 RMM: 4 -0.332299464818E+03 0.25218E-03 -0.69646E-04 4747 0.621E-02 0.101E-01 RMM: 5 -0.332299401672E+03 0.63147E-04 -0.95780E-05 3658 0.277E-02 0.585E-02 RMM: 6 -0.332299381040E+03 0.20632E-04 -0.24256E-05 2568 0.150E-02 0.315E-02 RMM: 7 -0.332299381721E+03 -0.68059E-06 -0.15215E-05 2505 0.128E-02 4 T= 6207. E= 0.67449230E+03 F= 0.62396961E+03 E0= 0.65228805E+03 EK= 0.50544E+02 SP= -.22E-01 SK= 0.78E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331449647015E+03 0.84973E+00 -0.10898E-01 7448 0.236E+01 0.169E-01 RMM: 2 -0.331459480364E+03 -0.98333E-02 -0.75351E-02 5000 0.668E-01 0.714E-01 RMM: 3 -0.331456032181E+03 0.34482E-02 -0.87623E-03 5747 0.183E-01 0.143E-01 RMM: 4 -0.331455827875E+03 0.20431E-03 -0.51008E-04 4669 0.501E-02 0.905E-02 RMM: 5 -0.331455783494E+03 0.44381E-04 -0.74546E-05 3509 0.242E-02 0.624E-02 RMM: 6 -0.331455763647E+03 0.19847E-04 -0.22680E-05 2560 0.146E-02 5 T= 6107. E= 0.67449569E+03 F= 0.62481323E+03 E0= 0.65311667E+03 EK= 0.49728E+02 SP= -.48E-01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330554665645E+03 0.90112E+00 -0.11274E-01 7504 0.234E+01 0.200E-01 RMM: 2 -0.330569859156E+03 -0.15194E-01 -0.96333E-02 4880 0.738E-01 0.101E+00 RMM: 3 -0.330562911671E+03 0.69475E-02 -0.11359E-02 5621 0.213E-01 0.197E-01 RMM: 4 -0.330562552219E+03 0.35945E-03 -0.77409E-04 4749 0.600E-02 0.790E-02 RMM: 5 -0.330562518298E+03 0.33920E-04 -0.10072E-04 3840 0.254E-02 0.628E-02 RMM: 6 -0.330562498937E+03 0.19361E-04 -0.22167E-05 2558 0.140E-02 6 T= 6002. E= 0.67450030E+03 F= 0.62570649E+03 E0= 0.65399448E+03 EK= 0.48877E+02 SP= -.88E-01 SK= 0.50E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329657658977E+03 0.90486E+00 -0.10973E-01 7536 0.232E+01 0.276E-01 RMM: 2 -0.329681601968E+03 -0.23943E-01 -0.81005E-02 5007 0.704E-01 0.158E+00 RMM: 3 -0.329663956394E+03 0.17646E-01 -0.11697E-02 5403 0.253E-01 0.257E-01 RMM: 4 -0.329663453539E+03 0.50286E-03 -0.12503E-03 4699 0.729E-02 0.719E-02 RMM: 5 -0.329663439261E+03 0.14278E-04 -0.14466E-04 4016 0.284E-02 7 T= 5899. E= 0.67450573E+03 F= 0.62660555E+03 E0= 0.65487672E+03 EK= 0.48038E+02 SP= -.15E+00 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328799903915E+03 0.86355E+00 -0.11696E-01 7568 0.230E+01 0.185E-01 RMM: 2 -0.328814579774E+03 -0.14676E-01 -0.88549E-02 4981 0.699E-01 0.980E-01 RMM: 3 -0.328807560332E+03 0.70194E-02 -0.10229E-02 5544 0.204E-01 0.195E-01 RMM: 4 -0.328807231279E+03 0.32905E-03 -0.76867E-04 4705 0.598E-02 0.716E-02 RMM: 5 -0.328807201526E+03 0.29754E-04 -0.93727E-05 3888 0.236E-02 0.613E-02 RMM: 6 -0.328807184799E+03 0.16727E-04 -0.19982E-05 2536 0.135E-02 8 T= 5804. E= 0.67451050E+03 F= 0.62746180E+03 E0= 0.65571542E+03 EK= 0.47260E+02 SP= -.23E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328031363902E+03 0.77584E+00 -0.11266E-01 7632 0.229E+01 0.243E-01 RMM: 2 -0.328049048613E+03 -0.17685E-01 -0.77250E-02 4939 0.683E-01 0.131E+00 RMM: 3 -0.328037520669E+03 0.11528E-01 -0.10184E-02 5444 0.229E-01 0.246E-01 RMM: 4 -0.328037086831E+03 0.43384E-03 -0.10269E-03 4693 0.664E-02 0.756E-02 RMM: 5 -0.328037083877E+03 0.29539E-05 -0.13663E-04 3860 0.287E-02 9 T= 5721. E= 0.67451456E+03 F= 0.62823191E+03 E0= 0.65646744E+03 EK= 0.46591E+02 SP= -.34E+00 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327378499006E+03 0.65859E+00 -0.10703E-01 7840 0.227E+01 0.182E-01 RMM: 2 -0.327392578390E+03 -0.14079E-01 -0.80565E-02 5029 0.663E-01 0.102E+00 RMM: 3 -0.327385400172E+03 0.71782E-02 -0.93458E-03 5535 0.198E-01 0.186E-01 RMM: 4 -0.327385118675E+03 0.28150E-03 -0.71483E-04 4817 0.551E-02 0.754E-02 RMM: 5 -0.327385078398E+03 0.40278E-04 -0.87298E-05 3677 0.246E-02 0.555E-02 RMM: 6 -0.327385062643E+03 0.15755E-04 -0.22550E-05 2558 0.143E-02 10 T= 5657. E= 0.67451772E+03 F= 0.62888393E+03 E0= 0.65710198E+03 EK= 0.46064E+02 SP= -.48E+00 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326864211061E+03 0.52087E+00 -0.10530E-01 7584 0.227E+01 0.175E-01 RMM: 2 -0.326877348599E+03 -0.13138E-01 -0.77611E-02 4966 0.658E-01 0.962E-01 RMM: 3 -0.326870716788E+03 0.66318E-02 -0.89653E-03 5554 0.193E-01 0.162E-01 RMM: 4 -0.326870496010E+03 0.22078E-03 -0.64886E-04 4711 0.530E-02 0.676E-02 RMM: 5 -0.326870467913E+03 0.28097E-04 -0.76699E-05 3625 0.226E-02 0.581E-02 RMM: 6 -0.326870449117E+03 0.18795E-04 -0.19851E-05 2529 0.136E-02 11 T= 5612. E= 0.67451910E+03 F= 0.62939854E+03 E0= 0.65760097E+03 EK= 0.45699E+02 SP= -.65E+00 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326494512897E+03 0.37596E+00 -0.10383E-01 7656 0.227E+01 0.266E-01 RMM: 2 -0.326517387706E+03 -0.22875E-01 -0.76355E-02 4995 0.682E-01 0.156E+00 RMM: 3 -0.326500367442E+03 0.17020E-01 -0.10971E-02 5385 0.245E-01 0.232E-01 RMM: 4 -0.326499979831E+03 0.38761E-03 -0.11364E-03 4716 0.674E-02 0.799E-02 RMM: 5 -0.326499960614E+03 0.19217E-04 -0.12917E-04 3842 0.291E-02 12 T= 5588. E= 0.67451994E+03 F= 0.62976903E+03 E0= 0.65795894E+03 EK= 0.45506E+02 SP= -.85E+00 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326267573022E+03 0.23241E+00 -0.10180E-01 7664 0.228E+01 0.124E-01 RMM: 2 -0.326275574703E+03 -0.80017E-02 -0.63642E-02 5072 0.594E-01 0.586E-01 RMM: 3 -0.326273069919E+03 0.25048E-02 -0.66460E-03 5704 0.159E-01 0.144E-01 RMM: 4 -0.326272884504E+03 0.18542E-03 -0.36649E-04 4352 0.419E-02 0.635E-02 RMM: 5 -0.326272853765E+03 0.30738E-04 -0.42881E-05 2953 0.192E-02 0.531E-02 RMM: 6 -0.326272845826E+03 0.79388E-05 -0.19145E-05 2505 0.133E-02 13 T= 5586. E= 0.67452100E+03 F= 0.62999614E+03 E0= 0.65817899E+03 EK= 0.45486E+02 SP= -.11E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326186581457E+03 0.86272E-01 -0.10687E-01 7656 0.228E+01 0.241E-01 RMM: 2 -0.326203575688E+03 -0.16994E-01 -0.93810E-02 4842 0.744E-01 0.116E+00 RMM: 3 -0.326194254390E+03 0.93213E-02 -0.12073E-02 5458 0.236E-01 0.211E-01 RMM: 4 -0.326193916492E+03 0.33790E-03 -0.10486E-03 4821 0.650E-02 0.891E-02 RMM: 5 -0.326193905442E+03 0.11051E-04 -0.13717E-04 3898 0.289E-02 14 T= 5605. E= 0.67452268E+03 F= 0.63007508E+03 E0= 0.65825654E+03 EK= 0.45646E+02 SP= -.14E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326271910966E+03 -0.77994E-01 -0.10067E-01 7624 0.229E+01 0.194E-01 RMM: 2 -0.326284580332E+03 -0.12669E-01 -0.76577E-02 5073 0.664E-01 0.961E-01 RMM: 3 -0.326278349498E+03 0.62308E-02 -0.88375E-03 5490 0.198E-01 0.188E-01 RMM: 4 -0.326278088130E+03 0.26137E-03 -0.73258E-04 4730 0.564E-02 0.952E-02 RMM: 5 -0.326278033207E+03 0.54923E-04 -0.98067E-05 3759 0.259E-02 0.654E-02 RMM: 6 -0.326278007847E+03 0.25360E-04 -0.23142E-05 2587 0.147E-02 0.380E-02 RMM: 7 -0.326278008977E+03 -0.11301E-05 -0.17326E-05 2506 0.124E-02 15 T= 5649. E= 0.67452489E+03 F= 0.62999098E+03 E0= 0.65817825E+03 EK= 0.46000E+02 SP= -.17E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326541796231E+03 -0.26379E+00 -0.10933E-01 7752 0.230E+01 0.175E-01 RMM: 2 -0.326554334399E+03 -0.12538E-01 -0.94749E-02 4880 0.733E-01 0.788E-01 RMM: 3 -0.326549911571E+03 0.44228E-02 -0.10855E-02 5762 0.193E-01 0.139E-01 RMM: 4 -0.326549694806E+03 0.21676E-03 -0.62487E-04 4652 0.570E-02 0.104E-01 RMM: 5 -0.326549641127E+03 0.53679E-04 -0.91733E-05 3624 0.254E-02 0.621E-02 RMM: 6 -0.326549616724E+03 0.24402E-04 -0.22879E-05 2560 0.148E-02 0.199E-02 RMM: 7 -0.326549618625E+03 -0.19007E-05 -0.90639E-06 2466 0.971E-03 16 T= 5719. E= 0.67452666E+03 F= 0.62971937E+03 E0= 0.65791976E+03 EK= 0.46573E+02 SP= -.20E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327029945439E+03 -0.48033E+00 -0.10109E-01 7784 0.231E+01 0.165E-01 RMM: 2 -0.327039102643E+03 -0.91572E-02 -0.72065E-02 5074 0.653E-01 0.691E-01 RMM: 3 -0.327035931617E+03 0.31710E-02 -0.79362E-03 5743 0.171E-01 0.113E-01 RMM: 4 -0.327035808914E+03 0.12270E-03 -0.45518E-04 4495 0.476E-02 0.116E-01 RMM: 5 -0.327035718134E+03 0.90780E-04 -0.77061E-05 3544 0.254E-02 0.498E-02 RMM: 6 -0.327035704235E+03 0.13898E-04 -0.19538E-05 2535 0.130E-02 17 T= 5819. E= 0.67452803E+03 F= 0.62923329E+03 E0= 0.65745364E+03 EK= 0.47390E+02 SP= -.24E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327749280165E+03 -0.71356E+00 -0.99904E-02 7720 0.232E+01 0.144E-01 RMM: 2 -0.327759201191E+03 -0.99210E-02 -0.69856E-02 4975 0.639E-01 0.758E-01 RMM: 3 -0.327755313565E+03 0.38876E-02 -0.77612E-03 5662 0.172E-01 0.140E-01 RMM: 4 -0.327755118695E+03 0.19487E-03 -0.43130E-04 4439 0.459E-02 0.630E-02 RMM: 5 -0.327755094026E+03 0.24669E-04 -0.56626E-05 3271 0.212E-02 0.545E-02 RMM: 6 -0.327755082397E+03 0.11629E-04 -0.20460E-05 2519 0.138E-02 18 T= 5952. E= 0.67452818E+03 F= 0.62851391E+03 E0= 0.65676102E+03 EK= 0.48470E+02 SP= -.28E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328702603297E+03 -0.94751E+00 -0.10172E-01 7544 0.234E+01 0.248E-01 RMM: 2 -0.328720275689E+03 -0.17672E-01 -0.66084E-02 5116 0.643E-01 0.136E+00 RMM: 3 -0.328707689509E+03 0.12586E-01 -0.89962E-03 5365 0.222E-01 0.229E-01 RMM: 4 -0.328707304628E+03 0.38488E-03 -0.97416E-04 4637 0.650E-02 0.749E-02 RMM: 5 -0.328707282678E+03 0.21949E-04 -0.12218E-04 3871 0.270E-02 0.745E-02 RMM: 6 -0.328707248290E+03 0.34388E-04 -0.26449E-05 2727 0.160E-02 0.342E-02 RMM: 7 -0.328707252982E+03 -0.46914E-05 -0.17787E-05 2500 0.133E-02 19 T= 6116. E= 0.67452607E+03 F= 0.62756174E+03 E0= 0.65584165E+03 EK= 0.49809E+02 SP= -.32E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329857207000E+03 -0.11500E+01 -0.10658E-01 7768 0.236E+01 0.241E-01 RMM: 2 -0.329873789397E+03 -0.16582E-01 -0.83837E-02 4937 0.716E-01 0.120E+00 RMM: 3 -0.329863972699E+03 0.98167E-02 -0.10494E-02 5395 0.230E-01 0.258E-01 RMM: 4 -0.329863494481E+03 0.47822E-03 -0.11083E-03 4671 0.717E-02 0.852E-02 RMM: 5 -0.329863512465E+03 -0.17983E-04 -0.17333E-04 3872 0.335E-02 20 T= 6309. E= 0.67452233E+03 F= 0.62640548E+03 E0= 0.65472319E+03 EK= 0.51376E+02 SP= -.36E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331157375200E+03 -0.12939E+01 -0.10774E-01 7912 0.239E+01 0.165E-01 RMM: 2 -0.331169395824E+03 -0.12021E-01 -0.75794E-02 5078 0.658E-01 0.908E-01 RMM: 3 -0.331163780332E+03 0.56155E-02 -0.82122E-03 5522 0.186E-01 0.144E-01 RMM: 4 -0.331163620263E+03 0.16007E-03 -0.56175E-04 4798 0.487E-02 0.796E-02 RMM: 5 -0.331163564536E+03 0.55727E-04 -0.71724E-05 3561 0.234E-02 0.556E-02 RMM: 6 -0.331163554893E+03 0.96424E-05 -0.23371E-05 2533 0.143E-02 21 T= 6521. E= 0.67451708E+03 F= 0.62510543E+03 E0= 0.65346575E+03 EK= 0.53106E+02 SP= -.41E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332513786439E+03 -0.13502E+01 -0.11508E-01 7712 0.242E+01 0.219E-01 RMM: 2 -0.332532781148E+03 -0.18995E-01 -0.89519E-02 4868 0.725E-01 0.128E+00 RMM: 3 -0.332521288291E+03 0.11493E-01 -0.11528E-02 5416 0.237E-01 0.202E-01 RMM: 4 -0.332521000221E+03 0.28807E-03 -0.10211E-03 4869 0.633E-02 0.708E-02 RMM: 5 -0.332520963444E+03 0.36778E-04 -0.11471E-04 4050 0.273E-02 0.598E-02 RMM: 6 -0.332520946891E+03 0.16553E-04 -0.23241E-05 2553 0.143E-02 22 T= 6742. E= 0.67451025E+03 F= 0.62374804E+03 E0= 0.65215515E+03 EK= 0.54905E+02 SP= -.45E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333828343104E+03 -0.13074E+01 -0.11665E-01 7720 0.246E+01 0.314E-01 RMM: 2 -0.333855366266E+03 -0.27023E-01 -0.89307E-02 5066 0.756E-01 0.173E+00 RMM: 3 -0.333835138769E+03 0.20227E-01 -0.13328E-02 5364 0.278E-01 0.320E-01 RMM: 4 -0.333834393651E+03 0.74512E-03 -0.15943E-03 4749 0.843E-02 0.906E-02 RMM: 5 -0.333834381228E+03 0.12423E-04 -0.19885E-04 3911 0.346E-02 23 T= 6959. E= 0.67450406E+03 F= 0.62243461E+03 E0= 0.65089124E+03 EK= 0.56667E+02 SP= -.50E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334991430827E+03 -0.11570E+01 -0.12491E-01 7712 0.249E+01 0.163E-01 RMM: 2 -0.335006295022E+03 -0.14864E-01 -0.10089E-01 4914 0.753E-01 0.905E-01 RMM: 3 -0.335000396028E+03 0.58990E-02 -0.11483E-02 5621 0.215E-01 0.172E-01 RMM: 4 -0.335000125586E+03 0.27044E-03 -0.72689E-04 4747 0.576E-02 0.863E-02 RMM: 5 -0.335000076422E+03 0.49165E-04 -0.93843E-05 3840 0.262E-02 0.660E-02 RMM: 6 -0.335000061749E+03 0.14672E-04 -0.23644E-05 2533 0.144E-02 24 T= 7156. E= 0.67449864E+03 F= 0.62126893E+03 E0= 0.64977827E+03 EK= 0.58275E+02 SP= -.54E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335915126396E+03 -0.91505E+00 -0.12969E-01 7680 0.252E+01 0.234E-01 RMM: 2 -0.335933278143E+03 -0.18152E-01 -0.11482E-01 4787 0.819E-01 0.110E+00 RMM: 3 -0.335924745533E+03 0.85326E-02 -0.14216E-02 5491 0.255E-01 0.204E-01 RMM: 4 -0.335924459578E+03 0.28596E-03 -0.11390E-03 4844 0.697E-02 0.113E-01 RMM: 5 -0.335924402280E+03 0.57298E-04 -0.15927E-04 3883 0.331E-02 0.857E-02 RMM: 6 -0.335924358171E+03 0.44109E-04 -0.40293E-05 3009 0.191E-02 0.331E-02 RMM: 7 -0.335924364045E+03 -0.58740E-05 -0.17395E-05 2508 0.133E-02 25 T= 7322. E= 0.67449401E+03 F= 0.62034463E+03 E0= 0.64890853E+03 EK= 0.59627E+02 SP= -.58E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336526546591E+03 -0.60219E+00 -0.13435E-01 7664 0.253E+01 0.263E-01 RMM: 2 -0.336547315207E+03 -0.20769E-01 -0.11025E-01 4889 0.815E-01 0.131E+00 RMM: 3 -0.336535594210E+03 0.11721E-01 -0.13927E-02 5453 0.261E-01 0.233E-01 RMM: 4 -0.336535220217E+03 0.37399E-03 -0.12686E-03 4760 0.742E-02 0.125E-01 RMM: 5 -0.336535136103E+03 0.84114E-04 -0.18713E-04 3893 0.369E-02 0.823E-02 RMM: 6 -0.336535093815E+03 0.42288E-04 -0.44693E-05 3062 0.198E-02 0.365E-02 RMM: 7 -0.336535094703E+03 -0.88886E-06 -0.17805E-05 2507 0.133E-02 26 T= 7447. E= 0.67449132E+03 F= 0.61973389E+03 E0= 0.64835247E+03 EK= 0.60640E+02 SP= -.61E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336776007846E+03 -0.24091E+00 -0.13997E-01 7792 0.255E+01 0.157E-01 RMM: 2 -0.336790068508E+03 -0.14061E-01 -0.11712E-01 4830 0.813E-01 0.720E-01 RMM: 3 -0.336786357629E+03 0.37109E-02 -0.13569E-02 5945 0.218E-01 0.137E-01 RMM: 4 -0.336786065862E+03 0.29177E-03 -0.58648E-04 4789 0.559E-02 0.891E-02 RMM: 5 -0.336786014465E+03 0.51397E-04 -0.86628E-05 3600 0.276E-02 0.575E-02 RMM: 6 -0.336786000600E+03 0.13866E-04 -0.25079E-05 2549 0.152E-02 27 T= 7523. E= 0.67449086E+03 F= 0.61948299E+03 E0= 0.64815706E+03 EK= 0.61259E+02 SP= -.64E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336647001494E+03 0.13901E+00 -0.14135E-01 7760 0.255E+01 0.180E-01 RMM: 2 -0.336665294606E+03 -0.18293E-01 -0.12312E-01 4742 0.834E-01 0.100E+00 RMM: 3 -0.336657828319E+03 0.74663E-02 -0.14384E-02 5592 0.245E-01 0.189E-01 RMM: 4 -0.336657513071E+03 0.31525E-03 -0.90683E-04 4829 0.653E-02 0.873E-02 RMM: 5 -0.336657468955E+03 0.44115E-04 -0.11942E-04 3928 0.304E-02 0.653E-02 RMM: 6 -0.336657448669E+03 0.20286E-04 -0.25579E-05 2558 0.148E-02 0.485E-02 RMM: 7 -0.336657451322E+03 -0.26532E-05 -0.26295E-05 2534 0.162E-02 28 T= 7547. E= 0.67449250E+03 F= 0.61961154E+03 E0= 0.64834125E+03 EK= 0.61459E+02 SP= -.67E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336147942084E+03 0.50951E+00 -0.14307E-01 7616 0.254E+01 0.241E-01 RMM: 2 -0.336170297967E+03 -0.22356E-01 -0.13064E-01 4730 0.884E-01 0.126E+00 RMM: 3 -0.336159067373E+03 0.11231E-01 -0.16125E-02 5591 0.264E-01 0.211E-01 RMM: 4 -0.336158687699E+03 0.37967E-03 -0.12099E-03 4802 0.771E-02 0.105E-01 RMM: 5 -0.336158676582E+03 0.11116E-04 -0.17330E-04 3913 0.332E-02 29 T= 7521. E= 0.67449641E+03 F= 0.62011031E+03 E0= 0.64889437E+03 EK= 0.61243E+02 SP= -.70E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335306929021E+03 0.85176E+00 -0.14388E-01 7712 0.253E+01 0.167E-01 RMM: 2 -0.335325289810E+03 -0.18361E-01 -0.14305E-01 4772 0.886E-01 0.870E-01 RMM: 3 -0.335319818001E+03 0.54718E-02 -0.16962E-02 5957 0.244E-01 0.157E-01 RMM: 4 -0.335319441413E+03 0.37659E-03 -0.70041E-04 4917 0.597E-02 0.896E-02 RMM: 5 -0.335319389199E+03 0.52214E-04 -0.98725E-05 3839 0.295E-02 0.656E-02 RMM: 6 -0.335319380850E+03 0.83490E-05 -0.33350E-05 2669 0.174E-02 30 T= 7447. E= 0.67450261E+03 F= 0.62094961E+03 E0= 0.64978872E+03 EK= 0.60643E+02 SP= -.72E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334175358034E+03 0.11440E+01 -0.14702E-01 7624 0.251E+01 0.287E-01 RMM: 2 -0.334213442824E+03 -0.38085E-01 -0.15530E-01 4689 0.942E-01 0.187E+00 RMM: 3 -0.334188466227E+03 0.24977E-01 -0.20543E-02 5408 0.319E-01 0.234E-01 RMM: 4 -0.334188084947E+03 0.38128E-03 -0.20109E-03 5391 0.825E-02 0.930E-02 RMM: 5 -0.334188057726E+03 0.27222E-04 -0.17712E-04 3974 0.343E-02 0.951E-02 RMM: 6 -0.334188000801E+03 0.56924E-04 -0.36539E-05 2944 0.181E-02 0.389E-02 RMM: 7 -0.334188003662E+03 -0.28609E-05 -0.18696E-05 2513 0.137E-02 31 T= 7332. E= 0.67450871E+03 F= 0.62208099E+03 E0= 0.65097323E+03 EK= 0.59707E+02 SP= -.73E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332813830894E+03 0.13742E+01 -0.13810E-01 7744 0.249E+01 0.373E-01 RMM: 2 -0.332857799363E+03 -0.43968E-01 -0.13645E-01 4802 0.918E-01 0.220E+00 RMM: 3 -0.332824536222E+03 0.33263E-01 -0.20886E-02 5382 0.343E-01 0.360E-01 RMM: 4 -0.332823569853E+03 0.96637E-03 -0.23897E-03 5239 0.101E-01 0.101E-01 RMM: 5 -0.332823624864E+03 -0.55011E-04 -0.28640E-04 3925 0.372E-02 0.144E-01 RMM: 6 -0.332823481392E+03 0.14347E-03 -0.71934E-05 3484 0.239E-02 0.374E-02 RMM: 7 -0.332823477760E+03 0.36318E-05 -0.17296E-05 2528 0.121E-02 32 T= 7183. E= 0.67451475E+03 F= 0.62344551E+03 E0= 0.65238727E+03 EK= 0.58498E+02 SP= -.75E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331277838495E+03 0.15456E+01 -0.14328E-01 7872 0.246E+01 0.241E-01 RMM: 2 -0.331303777723E+03 -0.25939E-01 -0.11953E-01 4862 0.813E-01 0.150E+00 RMM: 3 -0.331287775869E+03 0.16002E-01 -0.14570E-02 5416 0.266E-01 0.191E-01 RMM: 4 -0.331287506429E+03 0.26944E-03 -0.12420E-03 5110 0.679E-02 0.943E-02 RMM: 5 -0.331287467300E+03 0.39129E-04 -0.12548E-04 3753 0.320E-02 0.825E-02 RMM: 6 -0.331287423801E+03 0.43499E-04 -0.32507E-05 2765 0.171E-02 0.409E-02 RMM: 7 -0.331287430868E+03 -0.70672E-05 -0.26660E-05 2563 0.160E-02 33 T= 7010. E= 0.67452076E+03 F= 0.62498156E+03 E0= 0.65396751E+03 EK= 0.57086E+02 SP= -.76E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329630562759E+03 0.16569E+01 -0.14357E-01 7896 0.243E+01 0.199E-01 RMM: 2 -0.329648482784E+03 -0.17920E-01 -0.12505E-01 4762 0.846E-01 0.995E-01 RMM: 3 -0.329641464804E+03 0.70180E-02 -0.14905E-02 5714 0.243E-01 0.202E-01 RMM: 4 -0.329641049506E+03 0.41530E-03 -0.90642E-04 4767 0.683E-02 0.866E-02 RMM: 5 -0.329641047768E+03 0.17379E-05 -0.13561E-04 3848 0.305E-02 34 T= 6820. E= 0.67452746E+03 F= 0.62662794E+03 E0= 0.65565051E+03 EK= 0.55541E+02 SP= -.77E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327929790705E+03 0.17113E+01 -0.14041E-01 8016 0.239E+01 0.116E-01 RMM: 2 -0.327941479493E+03 -0.11689E-01 -0.10990E-01 5235 0.738E-01 0.466E-01 RMM: 3 -0.327939191189E+03 0.22883E-02 -0.94679E-03 5978 0.187E-01 0.124E-01 RMM: 4 -0.327939029053E+03 0.16214E-03 -0.45622E-04 4546 0.470E-02 0.864E-02 RMM: 5 -0.327938980445E+03 0.48608E-04 -0.51793E-05 3083 0.223E-02 0.703E-02 RMM: 6 -0.327938976859E+03 0.35853E-05 -0.30290E-05 2571 0.160E-02 35 T= 6622. E= 0.67453359E+03 F= 0.62833001E+03 E0= 0.65737870E+03 EK= 0.53923E+02 SP= -.77E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326226650274E+03 0.17123E+01 -0.13364E-01 7856 0.236E+01 0.305E-01 RMM: 2 -0.326256971020E+03 -0.30321E-01 -0.11363E-01 4825 0.799E-01 0.175E+00 RMM: 3 -0.326235554275E+03 0.21417E-01 -0.15597E-02 5400 0.289E-01 0.285E-01 RMM: 4 -0.326234990368E+03 0.56391E-03 -0.15836E-03 4884 0.795E-02 0.952E-02 RMM: 5 -0.326235013633E+03 -0.23265E-04 -0.21262E-04 3906 0.375E-02 0.116E-01 RMM: 6 -0.326234932618E+03 0.81014E-04 -0.57922E-05 3302 0.223E-02 0.407E-02 RMM: 7 -0.326234928520E+03 0.40981E-05 -0.15559E-05 2505 0.127E-02 36 T= 6422. E= 0.67453924E+03 F= 0.63003406E+03 E0= 0.65909759E+03 EK= 0.52297E+02 SP= -.78E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324580479675E+03 0.16545E+01 -0.12958E-01 7936 0.233E+01 0.340E-01 RMM: 2 -0.324617051514E+03 -0.36572E-01 -0.11822E-01 5044 0.806E-01 0.201E+00 RMM: 3 -0.324589622063E+03 0.27429E-01 -0.16618E-02 5371 0.305E-01 0.355E-01 RMM: 4 -0.324588736220E+03 0.88584E-03 -0.19299E-03 4991 0.897E-02 0.118E-01 RMM: 5 -0.324588685781E+03 0.50439E-04 -0.24235E-04 3908 0.380E-02 0.108E-01 RMM: 6 -0.324588603011E+03 0.82770E-04 -0.56648E-05 3270 0.219E-02 0.476E-02 RMM: 7 -0.324588599175E+03 0.38359E-05 -0.20720E-05 2531 0.135E-02 37 T= 6229. E= 0.67454516E+03 F= 0.63168039E+03 E0= 0.66074896E+03 EK= 0.50729E+02 SP= -.79E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323059440748E+03 0.15292E+01 -0.12754E-01 7944 0.229E+01 0.256E-01 RMM: 2 -0.323080075586E+03 -0.20635E-01 -0.10532E-01 4975 0.760E-01 0.133E+00 RMM: 3 -0.323067818335E+03 0.12257E-01 -0.12914E-02 5452 0.257E-01 0.241E-01 RMM: 4 -0.323067406844E+03 0.41149E-03 -0.11891E-03 5020 0.672E-02 0.819E-02 RMM: 5 -0.323067383330E+03 0.23514E-04 -0.13197E-04 3814 0.318E-02 0.841E-02 RMM: 6 -0.323067341001E+03 0.42329E-04 -0.32452E-05 2823 0.173E-02 0.421E-02 RMM: 7 -0.323067346724E+03 -0.57229E-05 -0.18489E-05 2528 0.136E-02 38 T= 6053. E= 0.67455145E+03 F= 0.63320164E+03 E0= 0.66226630E+03 EK= 0.49294E+02 SP= -.80E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321742296223E+03 0.13250E+01 -0.12654E-01 7984 0.226E+01 0.236E-01 RMM: 2 -0.321761538531E+03 -0.19242E-01 -0.11800E-01 4914 0.795E-01 0.117E+00 RMM: 3 -0.321752112978E+03 0.94256E-02 -0.13572E-02 5585 0.248E-01 0.232E-01 RMM: 4 -0.321751708829E+03 0.40415E-03 -0.10808E-03 4794 0.688E-02 0.114E-01 RMM: 5 -0.321751648935E+03 0.59893E-04 -0.15670E-04 3877 0.332E-02 0.876E-02 RMM: 6 -0.321751599388E+03 0.49547E-04 -0.38243E-05 2974 0.185E-02 0.422E-02 RMM: 7 -0.321751599565E+03 -0.17680E-06 -0.19062E-05 2511 0.136E-02 39 T= 5904. E= 0.67455796E+03 F= 0.63451739E+03 E0= 0.66357231E+03 EK= 0.48078E+02 SP= -.81E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320717578684E+03 0.10340E+01 -0.12242E-01 7952 0.223E+01 0.201E-01 RMM: 2 -0.320733943468E+03 -0.16365E-01 -0.12304E-01 4961 0.805E-01 0.911E-01 RMM: 3 -0.320727859919E+03 0.60835E-02 -0.13266E-02 5809 0.232E-01 0.163E-01 RMM: 4 -0.320727565811E+03 0.29411E-03 -0.82414E-04 5049 0.590E-02 0.946E-02 RMM: 5 -0.320727515185E+03 0.50626E-04 -0.95870E-05 3724 0.269E-02 0.759E-02 RMM: 6 -0.320727487219E+03 0.27966E-04 -0.25734E-05 2571 0.152E-02 0.518E-02 RMM: 7 -0.320727489134E+03 -0.19147E-05 -0.39272E-05 2810 0.176E-02 40 T= 5793. E= 0.67456372E+03 F= 0.63554150E+03 E0= 0.66458440E+03 EK= 0.47172E+02 SP= -.82E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320063830205E+03 0.66366E+00 -0.12031E-01 8032 0.220E+01 0.199E-01 RMM: 2 -0.320082242710E+03 -0.18413E-01 -0.12749E-01 4922 0.807E-01 0.102E+00 RMM: 3 -0.320074781150E+03 0.74616E-02 -0.13911E-02 5822 0.231E-01 0.208E-01 RMM: 4 -0.320074368192E+03 0.41296E-03 -0.88023E-04 4735 0.655E-02 0.104E-01 RMM: 5 -0.320074315794E+03 0.52398E-04 -0.13244E-04 3800 0.299E-02 0.803E-02 RMM: 6 -0.320074281287E+03 0.34507E-04 -0.32165E-05 2860 0.171E-02 0.475E-02 RMM: 7 -0.320074286794E+03 -0.55067E-05 -0.22632E-05 2568 0.146E-02 41 T= 5729. E= 0.67456778E+03 F= 0.63619470E+03 E0= 0.66522636E+03 EK= 0.46658E+02 SP= -.83E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319836730389E+03 0.23755E+00 -0.13595E-01 8072 0.219E+01 0.173E-01 RMM: 2 -0.319855291011E+03 -0.18561E-01 -0.15584E-01 4928 0.898E-01 0.795E-01 RMM: 3 -0.319850406970E+03 0.48840E-02 -0.16667E-02 6041 0.237E-01 0.176E-01 RMM: 4 -0.319849954832E+03 0.45214E-03 -0.75833E-04 5006 0.614E-02 0.903E-02 RMM: 5 -0.319849905633E+03 0.49199E-04 -0.10064E-04 3844 0.264E-02 0.757E-02 RMM: 6 -0.319849884394E+03 0.21239E-04 -0.25696E-05 2590 0.154E-02 0.578E-02 RMM: 7 -0.319849889954E+03 -0.55594E-05 -0.37325E-05 2794 0.169E-02 42 T= 5722. E= 0.67456964E+03 F= 0.63641910E+03 E0= 0.66544286E+03 EK= 0.46595E+02 SP= -.85E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320065106353E+03 -0.21522E+00 -0.13220E-01 8272 0.219E+01 0.189E-01 RMM: 2 -0.320083300796E+03 -0.18194E-01 -0.14062E-01 5003 0.830E-01 0.897E-01 RMM: 3 -0.320077296255E+03 0.60045E-02 -0.14399E-02 5905 0.230E-01 0.197E-01 RMM: 4 -0.320076865330E+03 0.43093E-03 -0.82151E-04 4789 0.631E-02 0.102E-01 RMM: 5 -0.320076809749E+03 0.55581E-04 -0.11643E-04 3814 0.276E-02 0.770E-02 RMM: 6 -0.320076783308E+03 0.26441E-04 -0.27504E-05 2698 0.158E-02 0.532E-02 RMM: 7 -0.320076788264E+03 -0.49562E-05 -0.26786E-05 2622 0.153E-02 43 T= 5772. E= 0.67456739E+03 F= 0.63619220E+03 E0= 0.66521409E+03 EK= 0.47006E+02 SP= -.87E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320717749950E+03 -0.64097E+00 -0.14265E-01 8824 0.221E+01 0.193E-01 RMM: 2 -0.320736373774E+03 -0.18624E-01 -0.14688E-01 5123 0.832E-01 0.899E-01 RMM: 3 -0.320730122184E+03 0.62516E-02 -0.13736E-02 5910 0.228E-01 0.186E-01 RMM: 4 -0.320729748147E+03 0.37404E-03 -0.82830E-04 5037 0.601E-02 0.949E-02 RMM: 5 -0.320729699814E+03 0.48334E-04 -0.10645E-04 3811 0.259E-02 0.802E-02 RMM: 6 -0.320729673789E+03 0.26025E-04 -0.25846E-05 2616 0.153E-02 0.593E-02 RMM: 7 -0.320729684592E+03 -0.10803E-04 -0.37572E-05 2858 0.173E-02 44 T= 5878. E= 0.67456227E+03 F= 0.63553930E+03 E0= 0.66456526E+03 EK= 0.47868E+02 SP= -.90E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321725497700E+03 -0.99582E+00 -0.17372E-01 8912 0.224E+01 0.224E-01 RMM: 2 -0.321749313063E+03 -0.23815E-01 -0.17588E-01 5067 0.906E-01 0.107E+00 RMM: 3 -0.321740582409E+03 0.87307E-02 -0.17392E-02 5798 0.254E-01 0.226E-01 RMM: 4 -0.321740048541E+03 0.53387E-03 -0.11216E-03 4822 0.714E-02 0.109E-01 RMM: 5 -0.321739995269E+03 0.53272E-04 -0.16334E-04 4000 0.305E-02 0.872E-02 RMM: 6 -0.321739958125E+03 0.37144E-04 -0.31792E-05 2865 0.167E-02 0.549E-02 RMM: 7 -0.321739965311E+03 -0.71854E-05 -0.23823E-05 2596 0.147E-02 45 T= 6031. E= 0.67455428E+03 F= 0.63452902E+03 E0= 0.66356471E+03 EK= 0.49111E+02 SP= -.92E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322987235337E+03 -0.12473E+01 -0.21340E-01 9104 0.228E+01 0.234E-01 RMM: 2 -0.323013048700E+03 -0.25813E-01 -0.19237E-01 5226 0.920E-01 0.111E+00 RMM: 3 -0.323003436276E+03 0.96124E-02 -0.17600E-02 5806 0.258E-01 0.234E-01 RMM: 4 -0.323002889993E+03 0.54628E-03 -0.11930E-03 4969 0.706E-02 0.110E-01 RMM: 5 -0.323002833178E+03 0.56815E-04 -0.16144E-04 3913 0.309E-02 0.932E-02 RMM: 6 -0.323002792753E+03 0.40425E-04 -0.35455E-05 2939 0.175E-02 0.639E-02 RMM: 7 -0.323002804284E+03 -0.11530E-04 -0.39685E-05 2865 0.181E-02 46 T= 6217. E= 0.67454526E+03 F= 0.63326618E+03 E0= 0.66231531E+03 EK= 0.50630E+02 SP= -.95E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324380519360E+03 -0.13777E+01 -0.25569E-01 9112 0.233E+01 0.257E-01 RMM: 2 -0.324410858607E+03 -0.30339E-01 -0.21371E-01 5341 0.942E-01 0.125E+00 RMM: 3 -0.324398378795E+03 0.12480E-01 -0.17589E-02 5735 0.263E-01 0.267E-01 RMM: 4 -0.324397762916E+03 0.61588E-03 -0.13985E-03 4799 0.782E-02 0.122E-01 RMM: 5 -0.324397699449E+03 0.63467E-04 -0.20058E-04 3932 0.341E-02 0.101E-01 RMM: 6 -0.324397649622E+03 0.49827E-04 -0.44648E-05 3105 0.195E-02 0.611E-02 RMM: 7 -0.324397659050E+03 -0.94278E-05 -0.28619E-05 2646 0.158E-02 47 T= 6422. E= 0.67453599E+03 F= 0.63187133E+03 E0= 0.66093619E+03 EK= 0.52299E+02 SP= -.98E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325782412114E+03 -0.13848E+01 -0.30805E-01 9096 0.239E+01 0.262E-01 RMM: 2 -0.325814352218E+03 -0.31940E-01 -0.23530E-01 5393 0.989E-01 0.124E+00 RMM: 3 -0.325802235383E+03 0.12117E-01 -0.17806E-02 5648 0.273E-01 0.267E-01 RMM: 4 -0.325801667343E+03 0.56804E-03 -0.14850E-03 5042 0.769E-02 0.122E-01 RMM: 5 -0.325801608550E+03 0.58793E-04 -0.20020E-04 3894 0.354E-02 0.109E-01 RMM: 6 -0.325801548830E+03 0.59720E-04 -0.54397E-05 3253 0.210E-02 0.656E-02 RMM: 7 -0.325801566296E+03 -0.17466E-04 -0.53420E-05 3235 0.204E-02 48 T= 6630. E= 0.67452644E+03 F= 0.63046742E+03 E0= 0.65954660E+03 EK= 0.53989E+02 SP= -.10E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327078634770E+03 -0.12771E+01 -0.34373E-01 9040 0.243E+01 0.256E-01 RMM: 2 -0.327111629997E+03 -0.32995E-01 -0.23580E-01 5636 0.971E-01 0.126E+00 RMM: 3 -0.327098673499E+03 0.12956E-01 -0.14770E-02 5581 0.257E-01 0.258E-01 RMM: 4 -0.327098205771E+03 0.46773E-03 -0.13799E-03 4841 0.780E-02 0.130E-01 RMM: 5 -0.327098143890E+03 0.61881E-04 -0.20622E-04 3914 0.352E-02 0.109E-01 RMM: 6 -0.327098084409E+03 0.59481E-04 -0.54650E-05 3250 0.213E-02 0.615E-02 RMM: 7 -0.327098100772E+03 -0.16363E-04 -0.32461E-05 2759 0.167E-02 49 T= 6825. E= 0.67451823E+03 F= 0.62917089E+03 E0= 0.65826075E+03 EK= 0.55577E+02 SP= -.10E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328170891803E+03 -0.10728E+01 -0.36643E-01 8992 0.248E+01 0.258E-01 RMM: 2 -0.328202208442E+03 -0.31317E-01 -0.24126E-01 5666 0.989E-01 0.115E+00 RMM: 3 -0.328191494992E+03 0.10713E-01 -0.15170E-02 5586 0.264E-01 0.258E-01 RMM: 4 -0.328191024560E+03 0.47043E-03 -0.13275E-03 5065 0.725E-02 0.115E-01 RMM: 5 -0.328190992134E+03 0.32426E-04 -0.18079E-04 3912 0.340E-02 0.114E-01 RMM: 6 -0.328190926759E+03 0.65375E-04 -0.53162E-05 3225 0.209E-02 0.631E-02 RMM: 7 -0.328190955620E+03 -0.28861E-04 -0.57795E-05 3383 0.214E-02 0.884E-02 RMM: 8 -0.328190921625E+03 0.33995E-04 -0.62664E-05 3324 0.193E-02 0.505E-02 RMM: 9 -0.328190911075E+03 0.10550E-04 -0.23189E-05 2571 0.136E-02 50 T= 6994. E= 0.67451184E+03 F= 0.62807808E+03 E0= 0.65717145E+03 EK= 0.56958E+02 SP= -.11E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328992516987E+03 -0.80160E+00 -0.37074E-01 8952 0.251E+01 0.212E-01 RMM: 2 -0.329021041381E+03 -0.28524E-01 -0.22848E-01 6192 0.950E-01 0.998E-01 RMM: 3 -0.329012742274E+03 0.82991E-02 -0.12093E-02 5518 0.238E-01 0.166E-01 RMM: 4 -0.329012690326E+03 0.51948E-04 -0.10397E-03 4874 0.679E-02 0.184E-01 RMM: 5 -0.329012481409E+03 0.20892E-03 -0.16262E-04 3922 0.334E-02 0.839E-02 RMM: 6 -0.329012450745E+03 0.30664E-04 -0.41892E-05 3022 0.192E-02 0.514E-02 RMM: 7 -0.329012473477E+03 -0.22732E-04 -0.40362E-05 2868 0.179E-02 0.812E-02 RMM: 8 -0.329012438031E+03 0.35447E-04 -0.45732E-05 3025 0.190E-02 0.296E-02 RMM: 9 -0.329012440437E+03 -0.24059E-05 -0.15769E-05 2490 0.110E-02 51 T= 7129. E= 0.67450807E+03 F= 0.62725655E+03 E0= 0.65634392E+03 EK= 0.58056E+02 SP= -.11E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329513408514E+03 -0.50097E+00 -0.35187E-01 8920 0.253E+01 0.202E-01 RMM: 2 -0.329540423335E+03 -0.27015E-01 -0.23627E-01 5784 0.101E+00 0.830E-01 RMM: 3 -0.329534318852E+03 0.61045E-02 -0.15445E-02 5724 0.250E-01 0.199E-01 RMM: 4 -0.329533926522E+03 0.39233E-03 -0.99283E-04 5090 0.647E-02 0.103E-01 RMM: 5 -0.329533867487E+03 0.59035E-04 -0.11979E-04 4060 0.281E-02 0.817E-02 RMM: 6 -0.329533841243E+03 0.26244E-04 -0.29027E-05 2618 0.162E-02 0.600E-02 RMM: 7 -0.329533857338E+03 -0.16094E-04 -0.43414E-05 3056 0.191E-02 52 T= 7225. E= 0.67450730E+03 F= 0.62673513E+03 E0= 0.65580632E+03 EK= 0.58835E+02 SP= -.11E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329754705377E+03 -0.22086E+00 -0.30475E-01 8960 0.254E+01 0.178E-01 RMM: 2 -0.329778552948E+03 -0.23848E-01 -0.21133E-01 5902 0.958E-01 0.756E-01 RMM: 3 -0.329773424809E+03 0.51281E-02 -0.14287E-02 5778 0.240E-01 0.176E-01 RMM: 4 -0.329773110387E+03 0.31442E-03 -0.83631E-04 5106 0.594E-02 0.106E-01 RMM: 5 -0.329773046584E+03 0.63803E-04 -0.89352E-05 3639 0.262E-02 0.826E-02 RMM: 6 -0.329773037877E+03 0.87075E-05 -0.30347E-05 2593 0.169E-02 53 T= 7283. E= 0.67450986E+03 F= 0.62649595E+03 E0= 0.65554156E+03 EK= 0.59307E+02 SP= -.11E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329771805066E+03 0.12415E-02 -0.26570E-01 8792 0.254E+01 0.301E-01 RMM: 2 -0.329812126558E+03 -0.40321E-01 -0.23402E-01 5115 0.106E+00 0.166E+00 RMM: 3 -0.329792042520E+03 0.20084E-01 -0.22673E-02 5493 0.324E-01 0.340E-01 RMM: 4 -0.329791186216E+03 0.85630E-03 -0.21091E-03 5240 0.918E-02 0.126E-01 RMM: 5 -0.329791119973E+03 0.66244E-04 -0.25167E-04 4803 0.305E-02 0.103E-01 RMM: 6 -0.329791083300E+03 0.36673E-04 -0.28306E-05 2658 0.155E-02 0.912E-02 RMM: 7 -0.329791131475E+03 -0.48175E-04 -0.94142E-05 3756 0.254E-02 0.131E-01 RMM: 8 -0.329791042493E+03 0.88982E-04 -0.18961E-04 3916 0.299E-02 0.696E-02 RMM: 9 -0.329791015049E+03 0.27444E-04 -0.33562E-05 2807 0.158E-02 0.278E-02 RMM: 10 -0.329791023249E+03 -0.82005E-05 -0.14771E-05 2494 0.120E-02 54 T= 7310. E= 0.67451508E+03 F= 0.62647797E+03 E0= 0.65548916E+03 EK= 0.59528E+02 SP= -.12E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329661290177E+03 0.12972E+00 -0.19762E-01 8512 0.253E+01 0.375E-01 RMM: 2 -0.329701861679E+03 -0.40572E-01 -0.18729E-01 5009 0.950E-01 0.190E+00 RMM: 3 -0.329676636932E+03 0.25225E-01 -0.21372E-02 5434 0.327E-01 0.420E-01 RMM: 4 -0.329675453476E+03 0.11835E-02 -0.27066E-03 5280 0.113E-01 0.166E-01 RMM: 5 -0.329675493041E+03 -0.39565E-04 -0.42895E-04 3947 0.467E-02 0.192E-01 RMM: 6 -0.329675252512E+03 0.24053E-03 -0.13701E-04 3865 0.332E-02 0.551E-02 RMM: 7 -0.329675259344E+03 -0.68322E-05 -0.39648E-05 3054 0.174E-02 55 T= 7317. E= 0.67452094E+03 F= 0.62659373E+03 E0= 0.65556448E+03 EK= 0.59582E+02 SP= -.12E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329502289093E+03 0.17296E+00 -0.15903E-01 8120 0.252E+01 0.222E-01 RMM: 2 -0.329523265490E+03 -0.20976E-01 -0.12957E-01 5241 0.788E-01 0.117E+00 RMM: 3 -0.329513109714E+03 0.10156E-01 -0.12465E-02 5512 0.241E-01 0.232E-01 RMM: 4 -0.329512718775E+03 0.39094E-03 -0.10831E-03 4987 0.654E-02 0.969E-02 RMM: 5 -0.329512671021E+03 0.47754E-04 -0.10596E-04 3756 0.275E-02 0.801E-02 RMM: 6 -0.329512648270E+03 0.22750E-04 -0.24151E-05 2577 0.143E-02 0.683E-02 RMM: 7 -0.329512671050E+03 -0.22779E-04 -0.42803E-05 3050 0.186E-02 0.997E-02 RMM: 8 -0.329512609139E+03 0.61911E-04 -0.10397E-04 3894 0.236E-02 0.442E-02 RMM: 9 -0.329512600223E+03 0.89162E-05 -0.20918E-05 2613 0.126E-02 56 T= 7313. E= 0.67452488E+03 F= 0.62675639E+03 E0= 0.65568173E+03 EK= 0.59552E+02 SP= -.12E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329350768258E+03 0.16184E+00 -0.14350E-01 7736 0.252E+01 0.226E-01 RMM: 2 -0.329370552608E+03 -0.19784E-01 -0.12448E-01 4804 0.810E-01 0.114E+00 RMM: 3 -0.329361088645E+03 0.94640E-02 -0.13525E-02 5615 0.244E-01 0.201E-01 RMM: 4 -0.329360802594E+03 0.28605E-03 -0.10951E-03 4753 0.731E-02 0.126E-01 RMM: 5 -0.329360725955E+03 0.76639E-04 -0.16144E-04 3892 0.316E-02 0.946E-02 RMM: 6 -0.329360667969E+03 0.57985E-04 -0.39838E-05 3016 0.189E-02 0.356E-02 RMM: 7 -0.329360668632E+03 -0.66231E-06 -0.18416E-05 2507 0.136E-02 57 T= 7306. E= 0.67452578E+03 F= 0.62690832E+03 E0= 0.65578573E+03 EK= 0.59494E+02 SP= -.12E+02 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329224794955E+03 0.13587E+00 -0.13558E-01 7920 0.251E+01 0.182E-01 RMM: 2 -0.329240018735E+03 -0.15224E-01 -0.10298E-01 5088 0.722E-01 0.951E-01 RMM: 3 -0.329233166246E+03 0.68525E-02 -0.10100E-02 5698 0.207E-01 0.171E-01 RMM: 4 -0.329232924629E+03 0.24162E-03 -0.68053E-04 4771 0.557E-02 0.870E-02 RMM: 5 -0.329232883328E+03 0.41301E-04 -0.86566E-05 3709 0.253E-02 0.758E-02 RMM: 6 -0.329232854074E+03 0.29255E-04 -0.24208E-05 2560 0.148E-02 0.494E-02 RMM: 7 -0.329232858359E+03 -0.42849E-05 -0.41644E-05 2986 0.184E-02 58 T= 7297. E= 0.67452406E+03 F= 0.62703613E+03 E0= 0.65586329E+03 EK= 0.59423E+02 SP= -.12E+02 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329095090932E+03 0.13776E+00 -0.15168E-01 8360 0.250E+01 0.186E-01 RMM: 2 -0.329111334127E+03 -0.16243E-01 -0.13777E-01 4973 0.821E-01 0.756E-01 RMM: 3 -0.329106634721E+03 0.46994E-02 -0.14143E-02 6002 0.226E-01 0.181E-01 RMM: 4 -0.329106308979E+03 0.32574E-03 -0.74551E-04 4755 0.626E-02 0.123E-01 RMM: 5 -0.329106210741E+03 0.98237E-04 -0.11733E-04 3752 0.287E-02 0.786E-02 RMM: 6 -0.329106183505E+03 0.27236E-04 -0.30218E-05 2710 0.168E-02 0.500E-02 RMM: 7 -0.329106184796E+03 -0.12909E-05 -0.27426E-05 2602 0.154E-02 59 T= 7284. E= 0.67452143E+03 F= 0.62716280E+03 E0= 0.65593948E+03 EK= 0.59318E+02 SP= -.12E+02 SK= 0.92E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.328930627038E+03 0.17556E+00 -0.16494E-01 8992 0.250E+01 0.211E-01 RMM: 2 -0.328950906704E+03 -0.20280E-01 -0.15018E-01 5242 0.829E-01 0.100E+00 RMM: 3 -0.328942949981E+03 0.79567E-02 -0.13772E-02 5812 0.230E-01 0.204E-01 RMM: 4 -0.328942585542E+03 0.36444E-03 -0.90189E-04 4806 0.638E-02 0.120E-01 RMM: 5 -0.328942489003E+03 0.96539E-04 -0.11691E-04 3842 0.278E-02 0.847E-02 RMM: 6 -0.328942465854E+03 0.23149E-04 -0.25408E-05 2573 0.151E-02 0.703E-02 RMM: 7 -0.328942458163E+03 0.76911E-05 -0.40137E-05 2818 0.174E-02 60 T= 7263. E= 0.67451926E+03 F= 0.62732653E+03 E0= 0.65605242E+03 EK= 0.59143E+02 SP= -.12E+02 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328696881061E+03 0.24558E+00 -0.17365E-01 9144 0.249E+01 0.195E-01 RMM: 2 -0.328716451502E+03 -0.19570E-01 -0.15968E-01 5410 0.822E-01 0.867E-01 RMM: 3 -0.328709852521E+03 0.65990E-02 -0.12676E-02 5713 0.219E-01 0.182E-01 RMM: 4 -0.328709588558E+03 0.26396E-03 -0.87641E-04 4900 0.609E-02 0.124E-01 RMM: 5 -0.328709482729E+03 0.10583E-03 -0.10891E-04 3795 0.257E-02 0.831E-02 RMM: 6 -0.328709462129E+03 0.20600E-04 -0.24037E-05 2579 0.149E-02 0.679E-02 RMM: 7 -0.328709456735E+03 0.53941E-05 -0.40017E-05 2761 0.168E-02 61 T= 7229. E= 0.67451805E+03 F= 0.62755953E+03 E0= 0.65623651E+03 EK= 0.58867E+02 SP= -.12E+02 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328376962201E+03 0.33250E+00 -0.18281E-01 9200 0.248E+01 0.207E-01 RMM: 2 -0.328398487483E+03 -0.21525E-01 -0.16658E-01 5530 0.818E-01 0.979E-01 RMM: 3 -0.328390192038E+03 0.82954E-02 -0.11798E-02 5714 0.214E-01 0.194E-01 RMM: 4 -0.328389922362E+03 0.26968E-03 -0.92330E-04 4892 0.625E-02 0.132E-01 RMM: 5 -0.328389807871E+03 0.11449E-03 -0.12056E-04 3822 0.273E-02 0.857E-02 RMM: 6 -0.328389783323E+03 0.24548E-04 -0.27384E-05 2690 0.157E-02 0.702E-02 RMM: 7 -0.328389777107E+03 0.62155E-05 -0.44257E-05 2887 0.178E-02 62 T= 7181. E= 0.67451774E+03 F= 0.62787921E+03 E0= 0.65650895E+03 EK= 0.58475E+02 SP= -.12E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327967676496E+03 0.42211E+00 -0.19785E-01 9176 0.248E+01 0.181E-01 RMM: 2 -0.327987466907E+03 -0.19790E-01 -0.17225E-01 5688 0.805E-01 0.767E-01 RMM: 3 -0.327981228031E+03 0.62389E-02 -0.10532E-02 5717 0.202E-01 0.157E-01 RMM: 4 -0.327981051038E+03 0.17699E-03 -0.81754E-04 5017 0.555E-02 0.119E-01 RMM: 5 -0.327980958953E+03 0.92084E-04 -0.91246E-05 3705 0.234E-02 0.790E-02 RMM: 6 -0.327980941423E+03 0.17530E-04 -0.23146E-05 2572 0.146E-02 63 T= 7118. E= 0.67451794E+03 F= 0.62828805E+03 E0= 0.65687350E+03 EK= 0.57966E+02 SP= -.12E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327479027954E+03 0.50193E+00 -0.21056E-01 9008 0.247E+01 0.231E-01 RMM: 2 -0.327506558796E+03 -0.27531E-01 -0.17233E-01 5915 0.795E-01 0.130E+00 RMM: 3 -0.327492614278E+03 0.13945E-01 -0.10643E-02 5406 0.226E-01 0.220E-01 RMM: 4 -0.327492314469E+03 0.29981E-03 -0.11446E-03 5160 0.624E-02 0.109E-01 RMM: 5 -0.327492243663E+03 0.70806E-04 -0.91182E-05 3888 0.241E-02 0.877E-02 RMM: 6 -0.327492228568E+03 0.15095E-04 -0.26227E-05 2588 0.153E-02 64 T= 7043. E= 0.67451902E+03 F= 0.62877676E+03 E0= 0.65732143E+03 EK= 0.57353E+02 SP= -.12E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326935470950E+03 0.55677E+00 -0.21739E-01 8704 0.246E+01 0.435E-01 RMM: 2 -0.326985635371E+03 -0.50164E-01 -0.18313E-01 5553 0.891E-01 0.227E+00 RMM: 3 -0.326949218194E+03 0.36417E-01 -0.22196E-02 5369 0.355E-01 0.467E-01 RMM: 4 -0.326947595448E+03 0.16227E-02 -0.28064E-03 5004 0.109E-01 0.108E-01 RMM: 5 -0.326947581482E+03 0.13965E-04 -0.35335E-04 4536 0.367E-02 0.112E-01 RMM: 6 -0.326947514988E+03 0.66494E-04 -0.44129E-05 3051 0.192E-02 0.678E-02 RMM: 7 -0.326947554300E+03 -0.39312E-04 -0.46616E-05 3133 0.193E-02 0.981E-02 RMM: 8 -0.326947525586E+03 0.28715E-04 -0.11513E-04 3885 0.223E-02 0.647E-02 RMM: 9 -0.326947501499E+03 0.24087E-04 -0.26784E-05 2724 0.147E-02 0.212E-02 RMM: 10 -0.326947505598E+03 -0.40994E-05 -0.91572E-06 2463 0.944E-03 65 T= 6958. E= 0.67452155E+03 F= 0.62932148E+03 E0= 0.65782946E+03 EK= 0.56665E+02 SP= -.12E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326376398535E+03 0.57110E+00 -0.22137E-01 8832 0.245E+01 0.395E-01 RMM: 2 -0.326417165709E+03 -0.40767E-01 -0.18779E-01 5592 0.873E-01 0.188E+00 RMM: 3 -0.326390867397E+03 0.26298E-01 -0.18387E-02 5374 0.315E-01 0.429E-01 RMM: 4 -0.326389615492E+03 0.12519E-02 -0.25965E-03 5018 0.108E-01 0.156E-01 RMM: 5 -0.326389669720E+03 -0.54228E-04 -0.37622E-04 3954 0.457E-02 0.181E-01 RMM: 6 -0.326389467994E+03 0.20173E-03 -0.11384E-04 3822 0.296E-02 0.596E-02 RMM: 7 -0.326389487494E+03 -0.19500E-04 -0.41485E-05 3063 0.178E-02 66 T= 6870. E= 0.67452568E+03 F= 0.62987950E+03 E0= 0.65835452E+03 EK= 0.55948E+02 SP= -.11E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325865118879E+03 0.52435E+00 -0.20798E-01 8896 0.244E+01 0.277E-01 RMM: 2 -0.325892852974E+03 -0.27734E-01 -0.17293E-01 5569 0.866E-01 0.135E+00 RMM: 3 -0.325879045278E+03 0.13808E-01 -0.14212E-02 5479 0.258E-01 0.268E-01 RMM: 4 -0.325878531271E+03 0.51401E-03 -0.13761E-03 4997 0.735E-02 0.105E-01 RMM: 5 -0.325878497222E+03 0.34049E-04 -0.16583E-04 3907 0.325E-02 0.102E-01 RMM: 6 -0.325878441356E+03 0.55866E-04 -0.42377E-05 3087 0.191E-02 0.534E-02 RMM: 7 -0.325878460155E+03 -0.18798E-04 -0.33089E-05 2773 0.170E-02 67 T= 6786. E= 0.67453018E+03 F= 0.63039053E+03 E0= 0.65883847E+03 EK= 0.55265E+02 SP= -.11E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325468846032E+03 0.40960E+00 -0.18381E-01 8872 0.242E+01 0.270E-01 RMM: 2 -0.325495362583E+03 -0.26517E-01 -0.16184E-01 5438 0.844E-01 0.131E+00 RMM: 3 -0.325482020346E+03 0.13342E-01 -0.14001E-02 5441 0.256E-01 0.293E-01 RMM: 4 -0.325481400010E+03 0.62034E-03 -0.14245E-03 4848 0.782E-02 0.113E-01 RMM: 5 -0.325481352466E+03 0.47544E-04 -0.18385E-04 3933 0.328E-02 0.102E-01 RMM: 6 -0.325481289699E+03 0.62767E-04 -0.40280E-05 3038 0.189E-02 0.540E-02 RMM: 7 -0.325481296891E+03 -0.71926E-05 -0.26344E-05 2600 0.151E-02 68 T= 6715. E= 0.67453349E+03 F= 0.63078769E+03 E0= 0.65921513E+03 EK= 0.54686E+02 SP= -.11E+02 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325233485262E+03 0.24780E+00 -0.15443E-01 8776 0.241E+01 0.268E-01 RMM: 2 -0.325258384195E+03 -0.24899E-01 -0.15323E-01 5101 0.859E-01 0.129E+00 RMM: 3 -0.325245985819E+03 0.12398E-01 -0.15751E-02 5548 0.268E-01 0.265E-01 RMM: 4 -0.325245449327E+03 0.53649E-03 -0.13356E-03 4998 0.742E-02 0.102E-01 RMM: 5 -0.325245427308E+03 0.22020E-04 -0.17278E-04 3940 0.330E-02 0.106E-01 RMM: 6 -0.325245366132E+03 0.61176E-04 -0.44128E-05 3095 0.195E-02 0.518E-02 RMM: 7 -0.325245385683E+03 -0.19551E-04 -0.34068E-05 2790 0.172E-02 69 T= 6663. E= 0.67453404E+03 F= 0.63102360E+03 E0= 0.65943820E+03 EK= 0.54259E+02 SP= -.11E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325161075149E+03 0.84291E-01 -0.13612E-01 8224 0.242E+01 0.233E-01 RMM: 2 -0.325183215670E+03 -0.22141E-01 -0.14605E-01 4923 0.852E-01 0.114E+00 RMM: 3 -0.325173247168E+03 0.99685E-02 -0.15233E-02 5606 0.256E-01 0.222E-01 RMM: 4 -0.325172843679E+03 0.40349E-03 -0.12043E-03 4832 0.733E-02 0.113E-01 RMM: 5 -0.325172794047E+03 0.49632E-04 -0.16919E-04 3921 0.327E-02 0.954E-02 RMM: 6 -0.325172739517E+03 0.54529E-04 -0.38696E-05 2986 0.185E-02 0.440E-02 RMM: 7 -0.325172744072E+03 -0.45547E-05 -0.21158E-05 2548 0.141E-02 70 T= 6629. E= 0.67453113E+03 F= 0.63109625E+03 E0= 0.65950673E+03 EK= 0.53986E+02 SP= -.11E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325208435608E+03 -0.35696E-01 -0.12227E-01 7952 0.243E+01 0.223E-01 RMM: 2 -0.325226998647E+03 -0.18563E-01 -0.11901E-01 4984 0.776E-01 0.109E+00 RMM: 3 -0.325218153492E+03 0.88452E-02 -0.12378E-02 5607 0.235E-01 0.228E-01 RMM: 4 -0.325217760988E+03 0.39250E-03 -0.98817E-04 4801 0.652E-02 0.952E-02 RMM: 5 -0.325217718245E+03 0.42743E-04 -0.13534E-04 3850 0.304E-02 0.894E-02 RMM: 6 -0.325217672865E+03 0.45380E-04 -0.36648E-05 2943 0.180E-02 0.500E-02 RMM: 7 -0.325217674737E+03 -0.18721E-05 -0.34256E-05 2622 0.173E-02 71 T= 6610. E= 0.67452714E+03 F= 0.63105131E+03 E0= 0.65946632E+03 EK= 0.53825E+02 SP= -.10E+02 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325313646574E+03 -0.95974E-01 -0.11911E-01 8072 0.244E+01 0.185E-01 RMM: 2 -0.325327713577E+03 -0.14067E-01 -0.10915E-01 5024 0.753E-01 0.819E-01 RMM: 3 -0.325322847332E+03 0.48662E-02 -0.11468E-02 5796 0.213E-01 0.180E-01 RMM: 4 -0.325322569688E+03 0.27764E-03 -0.73541E-04 4739 0.580E-02 0.108E-01 RMM: 5 -0.325322485847E+03 0.83841E-04 -0.11031E-04 3746 0.285E-02 0.720E-02 RMM: 6 -0.325322462255E+03 0.23592E-04 -0.27703E-05 2601 0.155E-02 0.545E-02 RMM: 7 -0.325322454561E+03 0.76938E-05 -0.37798E-05 2682 0.176E-02 72 T= 6597. E= 0.67452457E+03 F= 0.63094653E+03 E0= 0.65937377E+03 EK= 0.53722E+02 SP= -.10E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325447527644E+03 -0.12507E+00 -0.12350E-01 8096 0.244E+01 0.223E-01 RMM: 2 -0.325465921614E+03 -0.18394E-01 -0.11682E-01 5012 0.793E-01 0.108E+00 RMM: 3 -0.325457479946E+03 0.84417E-02 -0.12886E-02 5656 0.231E-01 0.246E-01 RMM: 4 -0.325457002944E+03 0.47700E-03 -0.97634E-04 4720 0.675E-02 0.104E-01 RMM: 5 -0.325456942667E+03 0.60278E-04 -0.13639E-04 3875 0.298E-02 0.868E-02 RMM: 6 -0.325456905247E+03 0.37420E-04 -0.33135E-05 2825 0.172E-02 0.573E-02 RMM: 7 -0.325456907187E+03 -0.19403E-05 -0.36001E-05 2641 0.172E-02 73 T= 6588. E= 0.67452522E+03 F= 0.63081208E+03 E0= 0.65925772E+03 EK= 0.53648E+02 SP= -.10E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325624872361E+03 -0.16797E+00 -0.12264E-01 8112 0.244E+01 0.207E-01 RMM: 2 -0.325638806683E+03 -0.13934E-01 -0.96628E-02 5106 0.722E-01 0.902E-01 RMM: 3 -0.325632933685E+03 0.58730E-02 -0.10593E-02 5651 0.212E-01 0.205E-01 RMM: 4 -0.325632605919E+03 0.32777E-03 -0.75914E-04 4766 0.579E-02 0.986E-02 RMM: 5 -0.325632543731E+03 0.62188E-04 -0.10003E-04 3722 0.267E-02 0.740E-02 RMM: 6 -0.325632519356E+03 0.24375E-04 -0.25481E-05 2597 0.151E-02 0.549E-02 RMM: 7 -0.325632522165E+03 -0.28090E-05 -0.34013E-05 2674 0.167E-02 74 T= 6584. E= 0.67452652E+03 F= 0.63063647E+03 E0= 0.65910468E+03 EK= 0.53613E+02 SP= -.98E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325863215958E+03 -0.23070E+00 -0.12142E-01 8088 0.243E+01 0.203E-01 RMM: 2 -0.325878713149E+03 -0.15497E-01 -0.95353E-02 4965 0.716E-01 0.102E+00 RMM: 3 -0.325871234327E+03 0.74788E-02 -0.10651E-02 5629 0.211E-01 0.215E-01 RMM: 4 -0.325870868515E+03 0.36581E-03 -0.80161E-04 4654 0.620E-02 0.932E-02 RMM: 5 -0.325870824722E+03 0.43793E-04 -0.11221E-04 3783 0.272E-02 0.767E-02 RMM: 6 -0.325870793024E+03 0.31698E-04 -0.27494E-05 2665 0.160E-02 0.452E-02 RMM: 7 -0.325870797743E+03 -0.47189E-05 -0.23724E-05 2570 0.144E-02 75 T= 6586. E= 0.67452518E+03 F= 0.63039819E+03 E0= 0.65889000E+03 EK= 0.53635E+02 SP= -.96E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326147952895E+03 -0.27716E+00 -0.12623E-01 8064 0.242E+01 0.170E-01 RMM: 2 -0.326161137538E+03 -0.13185E-01 -0.94415E-02 4954 0.697E-01 0.846E-01 RMM: 3 -0.326155869088E+03 0.52685E-02 -0.99245E-03 5622 0.203E-01 0.160E-01 RMM: 4 -0.326155684028E+03 0.18506E-03 -0.66514E-04 4767 0.544E-02 0.996E-02 RMM: 5 -0.326155614190E+03 0.69837E-04 -0.90309E-05 3652 0.256E-02 0.647E-02 RMM: 6 -0.326155593265E+03 0.20926E-04 -0.23526E-05 2575 0.146E-02 0.422E-02 RMM: 7 -0.326155594592E+03 -0.13268E-05 -0.19323E-05 2543 0.130E-02 76 T= 6594. E= 0.67452030E+03 F= 0.63011339E+03 E0= 0.65862743E+03 EK= 0.53696E+02 SP= -.94E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326407646975E+03 -0.25205E+00 -0.13475E-01 8456 0.242E+01 0.162E-01 RMM: 2 -0.326420357051E+03 -0.12710E-01 -0.10718E-01 5073 0.723E-01 0.680E-01 RMM: 3 -0.326416580085E+03 0.37770E-02 -0.10427E-02 5949 0.193E-01 0.152E-01 RMM: 4 -0.326416312907E+03 0.26718E-03 -0.55380E-04 4568 0.531E-02 0.101E-01 RMM: 5 -0.326416252091E+03 0.60816E-04 -0.78852E-05 3538 0.254E-02 0.646E-02 RMM: 6 -0.326416236077E+03 0.16014E-04 -0.23234E-05 2561 0.146E-02 77 T= 6598. E= 0.67451350E+03 F= 0.62985275E+03 E0= 0.65838487E+03 EK= 0.53728E+02 SP= -.92E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326543681403E+03 -0.12743E+00 -0.14529E-01 8712 0.242E+01 0.234E-01 RMM: 2 -0.326564319420E+03 -0.20638E-01 -0.11803E-01 5305 0.735E-01 0.125E+00 RMM: 3 -0.326553122755E+03 0.11197E-01 -0.11225E-02 5454 0.228E-01 0.228E-01 RMM: 4 -0.326552748140E+03 0.37462E-03 -0.10314E-03 4901 0.635E-02 0.103E-01 RMM: 5 -0.326552689517E+03 0.58623E-04 -0.10346E-04 3836 0.267E-02 0.782E-02 RMM: 6 -0.326552673782E+03 0.15735E-04 -0.24737E-05 2579 0.145E-02 78 T= 6586. E= 0.67450776E+03 F= 0.62971632E+03 E0= 0.65826079E+03 EK= 0.53632E+02 SP= -.89E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326469289540E+03 0.83400E-01 -0.15492E-01 8776 0.241E+01 0.400E-01 RMM: 2 -0.326520826988E+03 -0.51537E-01 -0.13859E-01 5220 0.825E-01 0.241E+00 RMM: 3 -0.326479817214E+03 0.41010E-01 -0.19920E-02 5370 0.339E-01 0.406E-01 RMM: 4 -0.326478613492E+03 0.12037E-02 -0.26385E-03 5106 0.104E-01 0.107E-01 RMM: 5 -0.326478568012E+03 0.45479E-04 -0.29508E-04 4653 0.322E-02 0.104E-01 RMM: 6 -0.326478515508E+03 0.52504E-04 -0.33830E-05 2856 0.178E-02 0.717E-02 RMM: 7 -0.326478567731E+03 -0.52223E-04 -0.65372E-05 3408 0.213E-02 0.117E-01 RMM: 8 -0.326478482353E+03 0.85378E-04 -0.12222E-04 3891 0.242E-02 0.351E-02 RMM: 9 -0.326478483972E+03 -0.16190E-05 -0.22225E-05 2608 0.133E-02 79 T= 6549. E= 0.67450576E+03 F= 0.62979051E+03 E0= 0.65834161E+03 EK= 0.53327E+02 SP= -.87E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326145762755E+03 0.33272E+00 -0.16690E-01 8784 0.240E+01 0.332E-01 RMM: 2 -0.326185192085E+03 -0.39429E-01 -0.15493E-01 5262 0.812E-01 0.193E+00 RMM: 3 -0.326157751382E+03 0.27441E-01 -0.16746E-02 5377 0.295E-01 0.310E-01 RMM: 4 -0.326157221355E+03 0.53003E-03 -0.22373E-03 5052 0.101E-01 0.178E-01 RMM: 5 -0.326157152733E+03 0.68622E-04 -0.30880E-04 3926 0.415E-02 0.161E-01 RMM: 6 -0.326156982759E+03 0.16997E-03 -0.92796E-05 3643 0.276E-02 0.450E-02 RMM: 7 -0.326157001876E+03 -0.19117E-04 -0.40980E-05 3043 0.182E-02 80 T= 6481. E= 0.67450721E+03 F= 0.63011199E+03 E0= 0.65866373E+03 EK= 0.52779E+02 SP= -.85E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325593215915E+03 0.56377E+00 -0.17769E-01 8920 0.237E+01 0.238E-01 RMM: 2 -0.325618138681E+03 -0.24923E-01 -0.15048E-01 5387 0.797E-01 0.130E+00 RMM: 3 -0.325605544456E+03 0.12594E-01 -0.12328E-02 5490 0.237E-01 0.271E-01 RMM: 4 -0.325605033751E+03 0.51071E-03 -0.11881E-03 4930 0.688E-02 0.873E-02 RMM: 5 -0.325604994363E+03 0.39387E-04 -0.12614E-04 4099 0.269E-02 0.820E-02 RMM: 6 -0.325604969007E+03 0.25356E-04 -0.25599E-05 2599 0.147E-02 0.690E-02 RMM: 7 -0.325604992664E+03 -0.23657E-04 -0.66963E-05 3460 0.220E-02 0.100E-01 RMM: 8 -0.325604930290E+03 0.62373E-04 -0.12031E-04 3882 0.242E-02 0.394E-02 RMM: 9 -0.325604922201E+03 0.80892E-05 -0.17324E-05 2548 0.112E-02 81 T= 6386. E= 0.67451172E+03 F= 0.63066407E+03 E0= 0.65921257E+03 EK= 0.52006E+02 SP= -.83E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324871149076E+03 0.73378E+00 -0.19203E-01 8928 0.235E+01 0.213E-01 RMM: 2 -0.324893792056E+03 -0.22643E-01 -0.16074E-01 5406 0.820E-01 0.109E+00 RMM: 3 -0.324884447615E+03 0.93444E-02 -0.11641E-02 5650 0.225E-01 0.160E-01 RMM: 4 -0.324884273356E+03 0.17426E-03 -0.92179E-04 4761 0.645E-02 0.137E-01 RMM: 5 -0.324884152647E+03 0.12071E-03 -0.13352E-04 3854 0.292E-02 0.751E-02 RMM: 6 -0.324884119544E+03 0.33103E-04 -0.29378E-05 2711 0.163E-02 0.429E-02 RMM: 7 -0.324884121583E+03 -0.20391E-05 -0.33102E-05 2656 0.166E-02 82 T= 6272. E= 0.67451727E+03 F= 0.63138487E+03 E0= 0.65992970E+03 EK= 0.51073E+02 SP= -.80E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324068143245E+03 0.81598E+00 -0.18631E-01 8944 0.232E+01 0.177E-01 RMM: 2 -0.324087097160E+03 -0.18954E-01 -0.14734E-01 5787 0.776E-01 0.863E-01 RMM: 3 -0.324080666342E+03 0.64308E-02 -0.92282E-03 5592 0.197E-01 0.178E-01 RMM: 4 -0.324080436288E+03 0.23005E-03 -0.72075E-04 4827 0.547E-02 0.942E-02 RMM: 5 -0.324080377950E+03 0.58338E-04 -0.87061E-05 3635 0.243E-02 0.715E-02 RMM: 6 -0.324080363996E+03 0.13954E-04 -0.27084E-05 2607 0.154E-02 83 T= 6149. E= 0.67452281E+03 F= 0.63218863E+03 E0= 0.66073262E+03 EK= 0.50070E+02 SP= -.78E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323270885555E+03 0.80949E+00 -0.18142E-01 8960 0.229E+01 0.281E-01 RMM: 2 -0.323300145176E+03 -0.29260E-01 -0.16167E-01 5244 0.841E-01 0.146E+00 RMM: 3 -0.323284232930E+03 0.15912E-01 -0.14867E-02 5410 0.275E-01 0.274E-01 RMM: 4 -0.323283704029E+03 0.52890E-03 -0.15669E-03 4985 0.763E-02 0.101E-01 RMM: 5 -0.323283647756E+03 0.56273E-04 -0.16097E-04 3925 0.326E-02 0.847E-02 RMM: 6 -0.323283613181E+03 0.34575E-04 -0.38438E-05 2947 0.181E-02 0.593E-02 RMM: 7 -0.323283640513E+03 -0.27332E-04 -0.43211E-05 3051 0.190E-02 0.908E-02 RMM: 8 -0.323283596383E+03 0.44130E-04 -0.92671E-05 3847 0.216E-02 0.454E-02 RMM: 9 -0.323283586056E+03 0.10327E-04 -0.18201E-05 2548 0.121E-02 84 T= 6028. E= 0.67452801E+03 F= 0.63298540E+03 E0= 0.66153275E+03 EK= 0.49091E+02 SP= -.76E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322564949008E+03 0.71865E+00 -0.16323E-01 8952 0.227E+01 0.318E-01 RMM: 2 -0.322595742777E+03 -0.30794E-01 -0.15062E-01 5167 0.830E-01 0.161E+00 RMM: 3 -0.322577151456E+03 0.18591E-01 -0.15419E-02 5412 0.282E-01 0.323E-01 RMM: 4 -0.322576430032E+03 0.72142E-03 -0.18452E-03 4812 0.902E-02 0.124E-01 RMM: 5 -0.322576390059E+03 0.39973E-04 -0.24404E-04 3921 0.384E-02 0.115E-01 RMM: 6 -0.322576303914E+03 0.86146E-04 -0.56623E-05 3285 0.218E-02 0.428E-02 RMM: 7 -0.322576313348E+03 -0.94338E-05 -0.28103E-05 2617 0.158E-02 85 T= 5921. E= 0.67453240E+03 F= 0.63369268E+03 E0= 0.66224996E+03 EK= 0.48220E+02 SP= -.74E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322016640784E+03 0.55966E+00 -0.14788E-01 8888 0.226E+01 0.188E-01 RMM: 2 -0.322035504164E+03 -0.18863E-01 -0.13252E-01 5599 0.759E-01 0.983E-01 RMM: 3 -0.322027997291E+03 0.75069E-02 -0.95235E-03 5479 0.212E-01 0.185E-01 RMM: 4 -0.322027765633E+03 0.23166E-03 -0.83247E-04 4915 0.577E-02 0.931E-02 RMM: 5 -0.322027721678E+03 0.43954E-04 -0.86542E-05 3688 0.240E-02 0.748E-02 RMM: 6 -0.322027700120E+03 0.21558E-04 -0.25734E-05 2585 0.155E-02 0.590E-02 RMM: 7 -0.322027732498E+03 -0.32378E-04 -0.60131E-05 3369 0.200E-02 0.972E-02 RMM: 8 -0.322027676599E+03 0.55899E-04 -0.66998E-05 3601 0.215E-02 0.297E-02 RMM: 9 -0.322027675768E+03 0.83124E-06 -0.13704E-05 2495 0.107E-02 86 T= 5836. E= 0.67453541E+03 F= 0.63424131E+03 E0= 0.66281291E+03 EK= 0.47528E+02 SP= -.73E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321677371127E+03 0.35031E+00 -0.13713E-01 8856 0.225E+01 0.197E-01 RMM: 2 -0.321695090406E+03 -0.17719E-01 -0.13464E-01 5232 0.782E-01 0.893E-01 RMM: 3 -0.321688861110E+03 0.62293E-02 -0.11370E-02 5762 0.212E-01 0.170E-01 RMM: 4 -0.321688628316E+03 0.23279E-03 -0.84581E-04 4663 0.650E-02 0.141E-01 RMM: 5 -0.321688517978E+03 0.11034E-03 -0.14503E-04 3885 0.316E-02 0.794E-02 RMM: 6 -0.321688477634E+03 0.40344E-04 -0.30272E-05 2809 0.168E-02 0.397E-02 RMM: 7 -0.321688478380E+03 -0.74619E-06 -0.19817E-05 2508 0.136E-02 87 T= 5780. E= 0.67453662E+03 F= 0.63458051E+03 E0= 0.66316980E+03 EK= 0.47070E+02 SP= -.71E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321573275299E+03 0.11520E+00 -0.12784E-01 8720 0.224E+01 0.150E-01 RMM: 2 -0.321588370569E+03 -0.15095E-01 -0.13034E-01 5303 0.776E-01 0.675E-01 RMM: 3 -0.321584722218E+03 0.36484E-02 -0.11242E-02 6033 0.196E-01 0.146E-01 RMM: 4 -0.321584420565E+03 0.30165E-03 -0.51296E-04 4573 0.507E-02 0.907E-02 RMM: 5 -0.321584379926E+03 0.40639E-04 -0.63450E-05 3378 0.227E-02 0.666E-02 RMM: 6 -0.321584379653E+03 0.27278E-06 -0.23332E-05 2546 0.144E-02 88 T= 5755. E= 0.67453624E+03 F= 0.63468461E+03 E0= 0.66329224E+03 EK= 0.46869E+02 SP= -.70E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321697702490E+03 -0.11332E+00 -0.12742E-01 8536 0.224E+01 0.282E-01 RMM: 2 -0.321726751719E+03 -0.29049E-01 -0.14383E-01 5001 0.819E-01 0.153E+00 RMM: 3 -0.321709799255E+03 0.16952E-01 -0.16049E-02 5450 0.274E-01 0.295E-01 RMM: 4 -0.321709136405E+03 0.66285E-03 -0.15994E-03 4806 0.803E-02 0.104E-01 RMM: 5 -0.321709095653E+03 0.40752E-04 -0.19543E-04 4046 0.331E-02 0.825E-02 RMM: 6 -0.321709058498E+03 0.37155E-04 -0.29956E-05 2733 0.159E-02 0.546E-02 RMM: 7 -0.321709065415E+03 -0.69170E-05 -0.24963E-05 2566 0.158E-02 89 T= 5762. E= 0.67453383E+03 F= 0.63455992E+03 E0= 0.66318509E+03 EK= 0.46921E+02 SP= -.70E+01 SK= 0.85E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322009453148E+03 -0.30039E+00 -0.12811E-01 8320 0.225E+01 0.270E-01 RMM: 2 -0.322036580066E+03 -0.27127E-01 -0.16093E-01 4917 0.879E-01 0.136E+00 RMM: 3 -0.322023251286E+03 0.13329E-01 -0.17951E-02 5524 0.277E-01 0.288E-01 RMM: 4 -0.322022562216E+03 0.68907E-03 -0.15934E-03 4859 0.829E-02 0.109E-01 RMM: 5 -0.322022535930E+03 0.26286E-04 -0.22155E-04 3959 0.355E-02 0.104E-01 RMM: 6 -0.322022467490E+03 0.68440E-04 -0.50719E-05 3200 0.207E-02 0.456E-02 RMM: 7 -0.322022472267E+03 -0.47770E-05 -0.21145E-05 2552 0.141E-02 90 T= 5794. E= 0.67452967E+03 F= 0.63424652E+03 E0= 0.66288712E+03 EK= 0.47185E+02 SP= -.69E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322444388407E+03 -0.42192E+00 -0.15146E-01 8240 0.226E+01 0.241E-01 RMM: 2 -0.322475193580E+03 -0.30805E-01 -0.20608E-01 4864 0.999E-01 0.132E+00 RMM: 3 -0.322462507799E+03 0.12686E-01 -0.22501E-02 5786 0.283E-01 0.226E-01 RMM: 4 -0.322461855873E+03 0.65193E-03 -0.13538E-03 5001 0.771E-02 0.107E-01 RMM: 5 -0.322461799807E+03 0.56066E-04 -0.18541E-04 4213 0.323E-02 0.758E-02 RMM: 6 -0.322461775722E+03 0.24086E-04 -0.29943E-05 2639 0.159E-02 0.597E-02 RMM: 7 -0.322461784797E+03 -0.90756E-05 -0.29367E-05 2628 0.161E-02 91 T= 5845. E= 0.67452457E+03 F= 0.63380720E+03 E0= 0.66246020E+03 EK= 0.47598E+02 SP= -.69E+01 SK= 0.26E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322943609194E+03 -0.48183E+00 -0.15318E-01 8632 0.227E+01 0.222E-01 RMM: 2 -0.322967131027E+03 -0.23522E-01 -0.18823E-01 5096 0.923E-01 0.945E-01 RMM: 3 -0.322959848553E+03 0.72825E-02 -0.18956E-02 5908 0.254E-01 0.188E-01 RMM: 4 -0.322959380348E+03 0.46821E-03 -0.10762E-03 5117 0.679E-02 0.118E-01 RMM: 5 -0.322959299608E+03 0.80740E-04 -0.13991E-04 3926 0.298E-02 0.769E-02 RMM: 6 -0.322959271038E+03 0.28570E-04 -0.27769E-05 2602 0.156E-02 0.538E-02 RMM: 7 -0.322959273462E+03 -0.24244E-05 -0.27042E-05 2616 0.153E-02 92 T= 5906. E= 0.67451979E+03 F= 0.63330972E+03 E0= 0.66197295E+03 EK= 0.48092E+02 SP= -.69E+01 SK= 0.31E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323442001985E+03 -0.48273E+00 -0.15993E-01 8872 0.228E+01 0.192E-01 RMM: 2 -0.323464328325E+03 -0.22326E-01 -0.17757E-01 5164 0.878E-01 0.932E-01 RMM: 3 -0.323457335075E+03 0.69932E-02 -0.16426E-02 6028 0.232E-01 0.182E-01 RMM: 4 -0.323456872209E+03 0.46287E-03 -0.85078E-04 4737 0.648E-02 0.114E-01 RMM: 5 -0.323456795429E+03 0.76780E-04 -0.12460E-04 3832 0.284E-02 0.731E-02 RMM: 6 -0.323456776647E+03 0.18781E-04 -0.26561E-05 2623 0.154E-02 93 T= 5969. E= 0.67451597E+03 F= 0.63281221E+03 E0= 0.66148188E+03 EK= 0.48607E+02 SP= -.69E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323900414435E+03 -0.44362E+00 -0.15699E-01 9008 0.230E+01 0.225E-01 RMM: 2 -0.323926423143E+03 -0.26009E-01 -0.15557E-01 5534 0.782E-01 0.130E+00 RMM: 3 -0.323913016644E+03 0.13406E-01 -0.11833E-02 5456 0.230E-01 0.224E-01 RMM: 4 -0.323912647312E+03 0.36933E-03 -0.11805E-03 5054 0.653E-02 0.992E-02 RMM: 5 -0.323912585845E+03 0.61467E-04 -0.10314E-04 3940 0.248E-02 0.848E-02 RMM: 6 -0.323912568779E+03 0.17066E-04 -0.23087E-05 2561 0.143E-02 94 T= 6030. E= 0.67451306E+03 F= 0.63235642E+03 E0= 0.66103062E+03 EK= 0.49101E+02 SP= -.70E+01 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324294774042E+03 -0.38219E+00 -0.15734E-01 9016 0.231E+01 0.422E-01 RMM: 2 -0.324350445733E+03 -0.55672E-01 -0.16210E-01 5320 0.855E-01 0.247E+00 RMM: 3 -0.324306756405E+03 0.43689E-01 -0.22557E-02 5358 0.357E-01 0.426E-01 RMM: 4 -0.324305402466E+03 0.13539E-02 -0.27575E-03 5130 0.104E-01 0.106E-01 RMM: 5 -0.324305351148E+03 0.51318E-04 -0.27582E-04 4154 0.346E-02 0.101E-01 RMM: 6 -0.324305296014E+03 0.55134E-04 -0.37010E-05 2883 0.181E-02 0.675E-02 RMM: 7 -0.324305314515E+03 -0.18501E-04 -0.36507E-05 2885 0.173E-02 95 T= 6085. E= 0.67451081E+03 F= 0.63196367E+03 E0= 0.66064024E+03 EK= 0.49550E+02 SP= -.70E+01 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324619999081E+03 -0.31470E+00 -0.16719E-01 8872 0.233E+01 0.363E-01 RMM: 2 -0.324663050070E+03 -0.43051E-01 -0.16939E-01 5393 0.835E-01 0.202E+00 RMM: 3 -0.324633164478E+03 0.29886E-01 -0.18931E-02 5376 0.320E-01 0.386E-01 RMM: 4 -0.324632193344E+03 0.97113E-03 -0.23772E-03 5097 0.100E-01 0.149E-01 RMM: 5 -0.324632238548E+03 -0.45204E-04 -0.36175E-04 3941 0.458E-02 0.173E-01 RMM: 6 -0.324632049244E+03 0.18930E-03 -0.12144E-04 3847 0.315E-02 0.537E-02 RMM: 7 -0.324632052014E+03 -0.27699E-05 -0.27154E-05 2713 0.150E-02 96 T= 6134. E= 0.67451121E+03 F= 0.63163694E+03 E0= 0.66031354E+03 EK= 0.49950E+02 SP= -.71E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324904710069E+03 -0.27266E+00 -0.16938E-01 8952 0.234E+01 0.297E-01 RMM: 2 -0.324935433737E+03 -0.30724E-01 -0.16512E-01 5404 0.848E-01 0.155E+00 RMM: 3 -0.324918029718E+03 0.17404E-01 -0.15804E-02 5483 0.273E-01 0.302E-01 RMM: 4 -0.324917362558E+03 0.66716E-03 -0.15814E-03 5059 0.767E-02 0.100E-01 RMM: 5 -0.324917299041E+03 0.63517E-04 -0.16602E-04 3911 0.325E-02 0.880E-02 RMM: 6 -0.324917252439E+03 0.46601E-04 -0.35892E-05 2945 0.175E-02 0.588E-02 RMM: 7 -0.324917260232E+03 -0.77922E-05 -0.40429E-05 2864 0.181E-02 97 T= 6180. E= 0.67451327E+03 F= 0.63135173E+03 E0= 0.66002643E+03 EK= 0.50325E+02 SP= -.72E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325197043244E+03 -0.27979E+00 -0.15819E-01 8976 0.235E+01 0.258E-01 RMM: 2 -0.325222142166E+03 -0.25099E-01 -0.15767E-01 5272 0.843E-01 0.127E+00 RMM: 3 -0.325209959893E+03 0.12182E-01 -0.15142E-02 5597 0.254E-01 0.230E-01 RMM: 4 -0.325209507531E+03 0.45236E-03 -0.12510E-03 4987 0.705E-02 0.101E-01 RMM: 5 -0.325209466844E+03 0.40686E-04 -0.15043E-04 3884 0.307E-02 0.858E-02 RMM: 6 -0.325209424040E+03 0.42805E-04 -0.32895E-05 2895 0.170E-02 0.498E-02 RMM: 7 -0.325209434617E+03 -0.10577E-04 -0.28978E-05 2643 0.163E-02 98 T= 6228. E= 0.67451560E+03 F= 0.63105955E+03 E0= 0.65973224E+03 EK= 0.50719E+02 SP= -.73E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325543689194E+03 -0.33427E+00 -0.14911E-01 8304 0.237E+01 0.242E-01 RMM: 2 -0.325567920645E+03 -0.24231E-01 -0.16471E-01 5165 0.880E-01 0.117E+00 RMM: 3 -0.325557573037E+03 0.10348E-01 -0.16616E-02 5703 0.255E-01 0.244E-01 RMM: 4 -0.325557020410E+03 0.55263E-03 -0.11958E-03 4881 0.724E-02 0.106E-01 RMM: 5 -0.325556975479E+03 0.44931E-04 -0.16662E-04 3934 0.316E-02 0.934E-02 RMM: 6 -0.325556921758E+03 0.53721E-04 -0.37874E-05 3002 0.183E-02 0.464E-02 RMM: 7 -0.325556924661E+03 -0.29025E-05 -0.22053E-05 2558 0.143E-02 99 T= 6284. E= 0.67451626E+03 F= 0.63071206E+03 E0= 0.65938348E+03 EK= 0.51177E+02 SP= -.74E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325967987457E+03 -0.41107E+00 -0.12780E-01 8344 0.238E+01 0.224E-01 RMM: 2 -0.325988012052E+03 -0.20025E-01 -0.12659E-01 5123 0.775E-01 0.113E+00 RMM: 3 -0.325978435568E+03 0.95765E-02 -0.12784E-02 5677 0.229E-01 0.211E-01 RMM: 4 -0.325978043562E+03 0.39201E-03 -0.94185E-04 4795 0.639E-02 0.928E-02 RMM: 5 -0.325978008050E+03 0.35513E-04 -0.12728E-04 3818 0.286E-02 0.812E-02 RMM: 6 -0.325977970759E+03 0.37290E-04 -0.29439E-05 2800 0.164E-02 0.438E-02 RMM: 7 -0.325977978256E+03 -0.74966E-05 -0.21576E-05 2556 0.140E-02 100 T= 6351. E= 0.67451417E+03 F= 0.63029101E+03 E0= 0.65896363E+03 EK= 0.51716E+02 SP= -.75E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326440023918E+03 -0.46205E+00 -0.12290E-01 8488 0.240E+01 0.215E-01 RMM: 2 -0.326457080797E+03 -0.17057E-01 -0.11400E-01 5241 0.733E-01 0.102E+00 RMM: 3 -0.326449157657E+03 0.79231E-02 -0.10794E-02 5789 0.210E-01 0.198E-01 RMM: 4 -0.326448834333E+03 0.32332E-03 -0.83605E-04 4731 0.622E-02 0.114E-01 RMM: 5 -0.326448765010E+03 0.69324E-04 -0.12272E-04 3809 0.287E-02 0.777E-02 RMM: 6 -0.326448730943E+03 0.34067E-04 -0.28882E-05 2829 0.165E-02 0.438E-02 RMM: 7 -0.326448732816E+03 -0.18731E-05 -0.19878E-05 2547 0.133E-02 101 T= 6424. E= 0.67451056E+03 F= 0.62982026E+03 E0= 0.65849843E+03 EK= 0.52310E+02 SP= -.77E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326906337176E+03 -0.45761E+00 -0.13579E-01 8632 0.243E+01 0.205E-01 RMM: 2 -0.326926149733E+03 -0.19813E-01 -0.14752E-01 5305 0.833E-01 0.967E-01 RMM: 3 -0.326918812978E+03 0.73368E-02 -0.13971E-02 5769 0.227E-01 0.185E-01 RMM: 4 -0.326918454779E+03 0.35820E-03 -0.88503E-04 4790 0.637E-02 0.123E-01 RMM: 5 -0.326918367157E+03 0.87622E-04 -0.12065E-04 3850 0.282E-02 0.802E-02 RMM: 6 -0.326918342470E+03 0.24687E-04 -0.25972E-05 2608 0.153E-02 0.624E-02 RMM: 7 -0.326918340730E+03 0.17397E-05 -0.36338E-05 2736 0.167E-02 102 T= 6497. E= 0.67450718E+03 F= 0.62935065E+03 E0= 0.65803990E+03 EK= 0.52907E+02 SP= -.78E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327327343411E+03 -0.40900E+00 -0.14113E-01 8944 0.244E+01 0.229E-01 RMM: 2 -0.327348937758E+03 -0.21594E-01 -0.15269E-01 5442 0.834E-01 0.107E+00 RMM: 3 -0.327340026635E+03 0.89111E-02 -0.12901E-02 5682 0.228E-01 0.226E-01 RMM: 4 -0.327339630911E+03 0.39572E-03 -0.10355E-03 4768 0.687E-02 0.131E-01 RMM: 5 -0.327339531167E+03 0.99744E-04 -0.13963E-04 3893 0.297E-02 0.877E-02 RMM: 6 -0.327339501154E+03 0.30012E-04 -0.27706E-05 2712 0.161E-02 0.648E-02 RMM: 7 -0.327339502975E+03 -0.18209E-05 -0.31538E-05 2680 0.159E-02 103 T= 6565. E= 0.67450543E+03 F= 0.62892949E+03 E0= 0.65763579E+03 EK= 0.53458E+02 SP= -.79E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327677658704E+03 -0.33816E+00 -0.15318E-01 9120 0.245E+01 0.197E-01 RMM: 2 -0.327697969825E+03 -0.20311E-01 -0.16467E-01 5562 0.838E-01 0.874E-01 RMM: 3 -0.327691522373E+03 0.64475E-02 -0.12048E-02 5708 0.216E-01 0.194E-01 RMM: 4 -0.327691222460E+03 0.29991E-03 -0.86263E-04 4777 0.624E-02 0.133E-01 RMM: 5 -0.327691115658E+03 0.10680E-03 -0.11539E-04 3793 0.271E-02 0.851E-02 RMM: 6 -0.327691096578E+03 0.19079E-04 -0.24941E-05 2631 0.150E-02 104 T= 6624. E= 0.67450617E+03 F= 0.62857789E+03 E0= 0.65730606E+03 EK= 0.53942E+02 SP= -.80E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327967608879E+03 -0.27649E+00 -0.16516E-01 8952 0.245E+01 0.261E-01 RMM: 2 -0.327997262595E+03 -0.29654E-01 -0.17907E-01 5553 0.854E-01 0.140E+00 RMM: 3 -0.327982004481E+03 0.15258E-01 -0.13910E-02 5424 0.257E-01 0.271E-01 RMM: 4 -0.327981502111E+03 0.50237E-03 -0.14567E-03 5027 0.732E-02 0.116E-01 RMM: 5 -0.327981437565E+03 0.64546E-04 -0.12750E-04 4195 0.265E-02 0.972E-02 RMM: 6 -0.327981423650E+03 0.13915E-04 -0.19839E-05 2550 0.131E-02 105 T= 6675. E= 0.67450743E+03 F= 0.62828757E+03 E0= 0.65704202E+03 EK= 0.54361E+02 SP= -.82E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328216099702E+03 -0.23466E+00 -0.18606E-01 8936 0.246E+01 0.373E-01 RMM: 2 -0.328267165387E+03 -0.51066E-01 -0.19079E-01 5529 0.892E-01 0.223E+00 RMM: 3 -0.328230941367E+03 0.36224E-01 -0.19889E-02 5372 0.330E-01 0.406E-01 RMM: 4 -0.328229798119E+03 0.11432E-02 -0.25207E-03 5013 0.999E-02 0.126E-01 RMM: 5 -0.328229734996E+03 0.63124E-04 -0.28825E-04 5037 0.310E-02 0.115E-01 RMM: 6 -0.328229698408E+03 0.36588E-04 -0.22137E-05 2570 0.144E-02 0.101E-01 RMM: 7 -0.328229769770E+03 -0.71362E-04 -0.12264E-04 3886 0.287E-02 0.148E-01 RMM: 8 -0.328229640704E+03 0.12907E-03 -0.23306E-04 3920 0.306E-02 0.527E-02 RMM: 9 -0.328229636110E+03 0.45936E-05 -0.37295E-05 2928 0.169E-02 106 T= 6721. E= 0.67450871E+03 F= 0.62803935E+03 E0= 0.65682222E+03 EK= 0.54732E+02 SP= -.83E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328440798158E+03 -0.21116E+00 -0.21046E-01 8936 0.246E+01 0.381E-01 RMM: 2 -0.328488499519E+03 -0.47701E-01 -0.21875E-01 5464 0.919E-01 0.203E+00 RMM: 3 -0.328457131639E+03 0.31368E-01 -0.18337E-02 5381 0.311E-01 0.285E-01 RMM: 4 -0.328457102685E+03 0.28953E-04 -0.28745E-03 5226 0.117E-01 0.297E-01 RMM: 5 -0.328456795287E+03 0.30740E-03 -0.51631E-04 4381 0.546E-02 0.208E-01 RMM: 6 -0.328456517334E+03 0.27795E-03 -0.17747E-04 3878 0.360E-02 0.567E-02 RMM: 7 -0.328456575543E+03 -0.58209E-04 -0.74169E-05 3517 0.230E-02 0.102E-01 RMM: 8 -0.328456526403E+03 0.49140E-04 -0.41377E-05 3072 0.202E-02 0.365E-02 RMM: 9 -0.328456523188E+03 0.32150E-05 -0.13118E-05 2499 0.106E-02 107 T= 6763. E= 0.67450942E+03 F= 0.62781247E+03 E0= 0.65662267E+03 EK= 0.55073E+02 SP= -.84E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328657867005E+03 -0.20134E+00 -0.24048E-01 8952 0.246E+01 0.237E-01 RMM: 2 -0.328687926420E+03 -0.30059E-01 -0.22262E-01 5601 0.951E-01 0.118E+00 RMM: 3 -0.328676380326E+03 0.11546E-01 -0.14518E-02 5626 0.252E-01 0.247E-01 RMM: 4 -0.328675886426E+03 0.49390E-03 -0.12322E-03 4890 0.719E-02 0.959E-02 RMM: 5 -0.328675828892E+03 0.57534E-04 -0.16131E-04 4139 0.300E-02 0.846E-02 RMM: 6 -0.328675792571E+03 0.36321E-04 -0.31500E-05 2804 0.166E-02 0.580E-02 RMM: 7 -0.328675797180E+03 -0.46093E-05 -0.39933E-05 2961 0.181E-02 108 T= 6802. E= 0.67450922E+03 F= 0.62759319E+03 E0= 0.65642707E+03 EK= 0.55395E+02 SP= -.85E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328874466098E+03 -0.19867E+00 -0.25020E-01 8920 0.246E+01 0.192E-01 RMM: 2 -0.328899779271E+03 -0.25313E-01 -0.21492E-01 5969 0.921E-01 0.867E-01 RMM: 3 -0.328892893170E+03 0.68861E-02 -0.11597E-02 5720 0.218E-01 0.185E-01 RMM: 4 -0.328892592853E+03 0.30032E-03 -0.83320E-04 4855 0.601E-02 0.105E-01 RMM: 5 -0.328892530698E+03 0.62155E-04 -0.10633E-04 3929 0.258E-02 0.705E-02 RMM: 6 -0.328892514684E+03 0.16014E-04 -0.22502E-05 2561 0.141E-02 109 T= 6840. E= 0.67450864E+03 F= 0.62737647E+03 E0= 0.65623040E+03 EK= 0.55704E+02 SP= -.86E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329089794576E+03 -0.19726E+00 -0.26541E-01 9000 0.247E+01 0.260E-01 RMM: 2 -0.329123721733E+03 -0.33927E-01 -0.24451E-01 5369 0.104E+00 0.128E+00 RMM: 3 -0.329110770961E+03 0.12951E-01 -0.18241E-02 5637 0.284E-01 0.286E-01 RMM: 4 -0.329110090139E+03 0.68082E-03 -0.14992E-03 5042 0.792E-02 0.103E-01 RMM: 5 -0.329110046547E+03 0.43592E-04 -0.19530E-04 4434 0.307E-02 0.911E-02 RMM: 6 -0.329110015768E+03 0.30778E-04 -0.31683E-05 2746 0.168E-02 0.717E-02 RMM: 7 -0.329110042466E+03 -0.26698E-04 -0.48728E-05 3158 0.196E-02 0.995E-02 RMM: 8 -0.329109985137E+03 0.57329E-04 -0.12243E-04 3892 0.234E-02 0.419E-02 RMM: 9 -0.329109983240E+03 0.18968E-05 -0.24394E-05 2612 0.138E-02 110 T= 6877. E= 0.67450858E+03 F= 0.62715901E+03 E0= 0.65602803E+03 EK= 0.56000E+02 SP= -.87E+01 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329319429761E+03 -0.20944E+00 -0.23985E-01 8944 0.247E+01 0.333E-01 RMM: 2 -0.329358216985E+03 -0.38787E-01 -0.22046E-01 5331 0.973E-01 0.166E+00 RMM: 3 -0.329337045916E+03 0.21171E-01 -0.17818E-02 5605 0.287E-01 0.241E-01 RMM: 4 -0.329336811535E+03 0.23438E-03 -0.19266E-03 4978 0.949E-02 0.219E-01 RMM: 5 -0.329336633800E+03 0.17774E-03 -0.32720E-04 3907 0.427E-02 0.156E-01 RMM: 6 -0.329336481849E+03 0.15195E-03 -0.11037E-04 3779 0.294E-02 0.455E-02 RMM: 7 -0.329336507560E+03 -0.25712E-04 -0.38318E-05 2994 0.177E-02 0.746E-02 RMM: 8 -0.329336482602E+03 0.24958E-04 -0.34654E-05 2684 0.180E-02 0.303E-02 RMM: 9 -0.329336481553E+03 0.10495E-05 -0.13363E-05 2480 0.109E-02 111 T= 6912. E= 0.67450914E+03 F= 0.62693251E+03 E0= 0.65581154E+03 EK= 0.56291E+02 SP= -.87E+01 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329572058228E+03 -0.23558E+00 -0.22030E-01 8880 0.247E+01 0.214E-01 RMM: 2 -0.329597809005E+03 -0.25751E-01 -0.19379E-01 5581 0.902E-01 0.106E+00 RMM: 3 -0.329588420040E+03 0.93890E-02 -0.13290E-02 5758 0.234E-01 0.195E-01 RMM: 4 -0.329588074774E+03 0.34527E-03 -0.99553E-04 4783 0.671E-02 0.113E-01 RMM: 5 -0.329587992578E+03 0.82197E-04 -0.13707E-04 3945 0.291E-02 0.741E-02 RMM: 6 -0.329587962758E+03 0.29820E-04 -0.27774E-05 2711 0.155E-02 0.497E-02 RMM: 7 -0.329587960762E+03 0.19960E-05 -0.32678E-05 2686 0.173E-02 112 T= 6949. E= 0.67450996E+03 F= 0.62668103E+03 E0= 0.65556441E+03 EK= 0.56591E+02 SP= -.88E+01 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329873021800E+03 -0.28506E+00 -0.19669E-01 8856 0.247E+01 0.181E-01 RMM: 2 -0.329893506739E+03 -0.20485E-01 -0.17249E-01 5515 0.862E-01 0.812E-01 RMM: 3 -0.329887700204E+03 0.58065E-02 -0.11933E-02 6016 0.213E-01 0.172E-01 RMM: 4 -0.329887366439E+03 0.33376E-03 -0.70150E-04 4763 0.586E-02 0.100E-01 RMM: 5 -0.329887306454E+03 0.59985E-04 -0.90741E-05 3694 0.245E-02 0.712E-02 RMM: 6 -0.329887290414E+03 0.16040E-04 -0.21974E-05 2559 0.140E-02 113 T= 6990. E= 0.67451092E+03 F= 0.62638170E+03 E0= 0.65526490E+03 EK= 0.56920E+02 SP= -.88E+01 SK= 0.65E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330245289209E+03 -0.35798E+00 -0.17640E-01 8944 0.247E+01 0.289E-01 RMM: 2 -0.330274867040E+03 -0.29578E-01 -0.17298E-01 5078 0.915E-01 0.145E+00 RMM: 3 -0.330259675153E+03 0.15192E-01 -0.17433E-02 5478 0.290E-01 0.291E-01 RMM: 4 -0.330259029683E+03 0.64547E-03 -0.16258E-03 5131 0.789E-02 0.103E-01 RMM: 5 -0.330258970814E+03 0.58869E-04 -0.17245E-04 4012 0.325E-02 0.855E-02 RMM: 6 -0.330258938286E+03 0.32529E-04 -0.30425E-05 2718 0.159E-02 0.684E-02 RMM: 7 -0.330258952384E+03 -0.14098E-04 -0.38694E-05 2972 0.189E-02 114 T= 7037. E= 0.67451130E+03 F= 0.62601004E+03 E0= 0.65488910E+03 EK= 0.57301E+02 SP= -.88E+01 SK= 0.58E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.330706140194E+03 -0.44720E+00 -0.14973E-01 8592 0.247E+01 0.269E-01 RMM: 2 -0.330730561020E+03 -0.24421E-01 -0.15798E-01 5014 0.890E-01 0.124E+00 RMM: 3 -0.330719423098E+03 0.11138E-01 -0.16758E-02 5530 0.277E-01 0.256E-01 RMM: 4 -0.330718959880E+03 0.46322E-03 -0.14937E-03 4895 0.805E-02 0.137E-01 RMM: 5 -0.330718908575E+03 0.51305E-04 -0.22054E-04 3904 0.372E-02 0.116E-01 RMM: 6 -0.330718823028E+03 0.85547E-04 -0.63175E-05 3339 0.228E-02 0.405E-02 RMM: 7 -0.330718833401E+03 -0.10373E-04 -0.22020E-05 2571 0.143E-02 115 T= 7091. E= 0.67451067E+03 F= 0.62555016E+03 E0= 0.65442104E+03 EK= 0.57748E+02 SP= -.88E+01 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331246979961E+03 -0.52816E+00 -0.13230E-01 7920 0.248E+01 0.250E-01 RMM: 2 -0.331271862817E+03 -0.24883E-01 -0.16293E-01 4906 0.925E-01 0.125E+00 RMM: 3 -0.331260811616E+03 0.11051E-01 -0.18413E-02 5715 0.276E-01 0.214E-01 RMM: 4 -0.331260331421E+03 0.48020E-03 -0.12867E-03 5253 0.707E-02 0.101E-01 RMM: 5 -0.331260269181E+03 0.62240E-04 -0.14774E-04 3946 0.319E-02 0.809E-02 RMM: 6 -0.331260235185E+03 0.33996E-04 -0.32624E-05 2777 0.168E-02 0.565E-02 RMM: 7 -0.331260236546E+03 -0.13609E-05 -0.26758E-05 2605 0.156E-02 116 T= 7153. E= 0.67450865E+03 F= 0.62500875E+03 E0= 0.65387017E+03 EK= 0.58249E+02 SP= -.88E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331834751617E+03 -0.57452E+00 -0.12165E-01 7672 0.249E+01 0.195E-01 RMM: 2 -0.331851076921E+03 -0.16325E-01 -0.12969E-01 4902 0.843E-01 0.855E-01 RMM: 3 -0.331845895117E+03 0.51818E-02 -0.14614E-02 5850 0.233E-01 0.154E-01 RMM: 4 -0.331845597622E+03 0.29749E-03 -0.80795E-04 5033 0.599E-02 0.105E-01 RMM: 5 -0.331845523570E+03 0.74052E-04 -0.10678E-04 3807 0.279E-02 0.692E-02 RMM: 6 -0.331845499751E+03 0.23819E-04 -0.26670E-05 2596 0.155E-02 0.449E-02 RMM: 7 -0.331845495702E+03 0.40490E-05 -0.25977E-05 2577 0.157E-02 117 T= 7216. E= 0.67450436E+03 F= 0.62442349E+03 E0= 0.65327520E+03 EK= 0.58764E+02 SP= -.87E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332396271979E+03 -0.55077E+00 -0.12061E-01 7512 0.251E+01 0.192E-01 RMM: 2 -0.332413346736E+03 -0.17075E-01 -0.13776E-01 4877 0.885E-01 0.865E-01 RMM: 3 -0.332408385580E+03 0.49612E-02 -0.16236E-02 5952 0.232E-01 0.167E-01 RMM: 4 -0.332407995466E+03 0.39011E-03 -0.80019E-04 4826 0.659E-02 0.118E-01 RMM: 5 -0.332407903086E+03 0.92380E-04 -0.13429E-04 3847 0.313E-02 0.709E-02 RMM: 6 -0.332407875489E+03 0.27598E-04 -0.31111E-05 2717 0.166E-02 0.424E-02 RMM: 7 -0.332407871185E+03 0.43037E-05 -0.21312E-05 2515 0.145E-02 118 T= 7273. E= 0.67449914E+03 F= 0.62386112E+03 E0= 0.65270432E+03 EK= 0.59224E+02 SP= -.86E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332858390547E+03 -0.45052E+00 -0.11940E-01 7536 0.252E+01 0.205E-01 RMM: 2 -0.332874958889E+03 -0.16568E-01 -0.12776E-01 4921 0.872E-01 0.908E-01 RMM: 3 -0.332869456280E+03 0.55026E-02 -0.14968E-02 5845 0.232E-01 0.180E-01 RMM: 4 -0.332869090358E+03 0.36592E-03 -0.79507E-04 4865 0.636E-02 0.106E-01 RMM: 5 -0.332869007263E+03 0.83095E-04 -0.12772E-04 3896 0.301E-02 0.700E-02 RMM: 6 -0.332868985307E+03 0.21956E-04 -0.29792E-05 2605 0.162E-02 0.461E-02 RMM: 7 -0.332868980717E+03 0.45894E-05 -0.23587E-05 2529 0.148E-02 119 T= 7313. E= 0.67449506E+03 F= 0.62340001E+03 E0= 0.65223710E+03 EK= 0.59550E+02 SP= -.85E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333151517347E+03 -0.28253E+00 -0.11742E-01 7600 0.252E+01 0.194E-01 RMM: 2 -0.333165082560E+03 -0.13565E-01 -0.11377E-01 4990 0.829E-01 0.781E-01 RMM: 3 -0.333161263748E+03 0.38188E-02 -0.13044E-02 5901 0.214E-01 0.143E-01 RMM: 4 -0.333161035463E+03 0.22828E-03 -0.68852E-04 4767 0.609E-02 0.139E-01 RMM: 5 -0.333160904236E+03 0.13123E-03 -0.12456E-04 3812 0.307E-02 0.658E-02 RMM: 6 -0.333160884942E+03 0.19294E-04 -0.27629E-05 2567 0.156E-02 120 T= 7328. E= 0.67449298E+03 F= 0.62310810E+03 E0= 0.65194221E+03 EK= 0.59674E+02 SP= -.83E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333229825887E+03 -0.68922E-01 -0.12182E-01 7624 0.252E+01 0.203E-01 RMM: 2 -0.333246881074E+03 -0.17055E-01 -0.12267E-01 4971 0.849E-01 0.990E-01 RMM: 3 -0.333240425088E+03 0.64560E-02 -0.14223E-02 5763 0.233E-01 0.176E-01 RMM: 4 -0.333240097451E+03 0.32764E-03 -0.80324E-04 4926 0.603E-02 0.986E-02 RMM: 5 -0.333240016182E+03 0.81269E-04 -0.11252E-04 3877 0.290E-02 0.666E-02 RMM: 6 -0.333240001427E+03 0.14755E-04 -0.26021E-05 2556 0.147E-02 121 T= 7313. E= 0.67449352E+03 F= 0.62302899E+03 E0= 0.65186185E+03 EK= 0.59552E+02 SP= -.82E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333088842286E+03 0.15117E+00 -0.11747E-01 7616 0.252E+01 0.281E-01 RMM: 2 -0.333114773748E+03 -0.25931E-01 -0.10987E-01 4978 0.829E-01 0.158E+00 RMM: 3 -0.333097644179E+03 0.17130E-01 -0.14135E-02 5429 0.274E-01 0.258E-01 RMM: 4 -0.333097160043E+03 0.48414E-03 -0.13727E-03 4760 0.763E-02 0.878E-02 RMM: 5 -0.333097110072E+03 0.49971E-04 -0.16450E-04 4105 0.308E-02 0.815E-02 RMM: 6 -0.333097074869E+03 0.35203E-04 -0.31723E-05 2649 0.171E-02 0.508E-02 RMM: 7 -0.333097076580E+03 -0.17113E-05 -0.33966E-05 2637 0.177E-02 122 T= 7267. E= 0.67449637E+03 F= 0.62317191E+03 E0= 0.65200421E+03 EK= 0.59176E+02 SP= -.80E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332746932363E+03 0.35014E+00 -0.11642E-01 7736 0.250E+01 0.233E-01 RMM: 2 -0.332762310145E+03 -0.15378E-01 -0.10202E-01 4878 0.793E-01 0.103E+00 RMM: 3 -0.332755344228E+03 0.69659E-02 -0.12513E-02 5546 0.242E-01 0.226E-01 RMM: 4 -0.332755022468E+03 0.32176E-03 -0.10479E-03 4710 0.703E-02 0.122E-01 RMM: 5 -0.332754939934E+03 0.82533E-04 -0.15767E-04 3886 0.327E-02 0.825E-02 RMM: 6 -0.332754897219E+03 0.42716E-04 -0.32177E-05 2822 0.171E-02 0.340E-02 RMM: 7 -0.332754896854E+03 0.36487E-06 -0.17009E-05 2494 0.133E-02 123 T= 7192. E= 0.67450071E+03 F= 0.62351409E+03 E0= 0.65234356E+03 EK= 0.58571E+02 SP= -.77E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332248652717E+03 0.50624E+00 -0.12100E-01 7688 0.248E+01 0.178E-01 RMM: 2 -0.332264254824E+03 -0.15602E-01 -0.12254E-01 4753 0.844E-01 0.843E-01 RMM: 3 -0.332259462075E+03 0.47927E-02 -0.14869E-02 5926 0.231E-01 0.141E-01 RMM: 4 -0.332259160734E+03 0.30134E-03 -0.70655E-04 4804 0.615E-02 0.999E-02 RMM: 5 -0.332259094171E+03 0.66562E-04 -0.10288E-04 3822 0.291E-02 0.640E-02 RMM: 6 -0.332259073417E+03 0.20754E-04 -0.26849E-05 2550 0.153E-02 0.437E-02 RMM: 7 -0.332259068765E+03 0.46516E-05 -0.27687E-05 2573 0.154E-02 124 T= 7096. E= 0.67450568E+03 F= 0.62400992E+03 E0= 0.65283182E+03 EK= 0.57788E+02 SP= -.74E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331657772887E+03 0.60130E+00 -0.12854E-01 7584 0.246E+01 0.160E-01 RMM: 2 -0.331672711476E+03 -0.14939E-01 -0.12544E-01 4709 0.850E-01 0.730E-01 RMM: 3 -0.331668879957E+03 0.38315E-02 -0.15118E-02 6033 0.229E-01 0.139E-01 RMM: 4 -0.331668565341E+03 0.31462E-03 -0.65675E-04 4749 0.616E-02 0.947E-02 RMM: 5 -0.331668507763E+03 0.57578E-04 -0.95291E-05 3635 0.297E-02 0.544E-02 RMM: 6 -0.331668494276E+03 0.13487E-04 -0.23990E-05 2538 0.143E-02 125 T= 6986. E= 0.67451071E+03 F= 0.62460050E+03 E0= 0.65341043E+03 EK= 0.56889E+02 SP= -.72E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331031282982E+03 0.63722E+00 -0.12856E-01 7568 0.243E+01 0.159E-01 RMM: 2 -0.331048542567E+03 -0.17260E-01 -0.14011E-01 4682 0.901E-01 0.794E-01 RMM: 3 -0.331043947344E+03 0.45952E-02 -0.16827E-02 5956 0.242E-01 0.154E-01 RMM: 4 -0.331043567602E+03 0.37974E-03 -0.69938E-04 4797 0.625E-02 0.842E-02 RMM: 5 -0.331043520379E+03 0.47223E-04 -0.96527E-05 3852 0.297E-02 0.608E-02 RMM: 6 -0.331043505590E+03 0.14789E-04 -0.24134E-05 2524 0.150E-02 126 T= 6869. E= 0.67451555E+03 F= 0.62522548E+03 E0= 0.65401901E+03 EK= 0.55941E+02 SP= -.69E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330430765685E+03 0.61275E+00 -0.11732E-01 7512 0.241E+01 0.303E-01 RMM: 2 -0.330459984814E+03 -0.29219E-01 -0.10612E-01 4770 0.821E-01 0.174E+00 RMM: 3 -0.330439235512E+03 0.20749E-01 -0.15843E-02 5389 0.301E-01 0.293E-01 RMM: 4 -0.330438605953E+03 0.62956E-03 -0.15234E-03 4911 0.805E-02 0.718E-02 RMM: 5 -0.330438596339E+03 0.96144E-05 -0.17061E-04 4133 0.302E-02 127 T= 6754. E= 0.67452045E+03 F= 0.62583039E+03 E0= 0.65460494E+03 EK= 0.55004E+02 SP= -.65E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329888067862E+03 0.55054E+00 -0.11632E-01 7640 0.240E+01 0.200E-01 RMM: 2 -0.329906092682E+03 -0.18025E-01 -0.96596E-02 4981 0.727E-01 0.116E+00 RMM: 3 -0.329896387045E+03 0.97056E-02 -0.11087E-02 5418 0.236E-01 0.214E-01 RMM: 4 -0.329896084924E+03 0.30212E-03 -0.95031E-04 4720 0.647E-02 0.924E-02 RMM: 5 -0.329896042067E+03 0.42857E-04 -0.10799E-04 3872 0.280E-02 0.748E-02 RMM: 6 -0.329896015311E+03 0.26756E-04 -0.25707E-05 2555 0.151E-02 0.523E-02 RMM: 7 -0.329896029290E+03 -0.13979E-04 -0.33925E-05 2790 0.168E-02 128 T= 6646. E= 0.67452421E+03 F= 0.62637296E+03 E0= 0.65512735E+03 EK= 0.54123E+02 SP= -.62E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329436649208E+03 0.45937E+00 -0.11398E-01 7680 0.238E+01 0.233E-01 RMM: 2 -0.329451352952E+03 -0.14704E-01 -0.95830E-02 4753 0.763E-01 0.101E+00 RMM: 3 -0.329444449158E+03 0.69038E-02 -0.11673E-02 5640 0.229E-01 0.185E-01 RMM: 4 -0.329444300416E+03 0.14874E-03 -0.92368E-04 4697 0.693E-02 0.162E-01 RMM: 5 -0.329444205360E+03 0.95056E-04 -0.17108E-04 3878 0.346E-02 0.111E-01 RMM: 6 -0.329444123376E+03 0.81983E-04 -0.58874E-05 3332 0.230E-02 0.252E-02 RMM: 7 -0.329444128825E+03 -0.54485E-05 -0.15818E-05 2509 0.126E-02 129 T= 6549. E= 0.67452602E+03 F= 0.62682486E+03 E0= 0.65555994E+03 EK= 0.53331E+02 SP= -.59E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329090183703E+03 0.35394E+00 -0.11338E-01 7896 0.237E+01 0.161E-01 RMM: 2 -0.329102201045E+03 -0.12017E-01 -0.93980E-02 4972 0.732E-01 0.744E-01 RMM: 3 -0.329098293363E+03 0.39077E-02 -0.10016E-02 5756 0.200E-01 0.144E-01 RMM: 4 -0.329098085334E+03 0.20803E-03 -0.51480E-04 4730 0.517E-02 0.948E-02 RMM: 5 -0.329098006812E+03 0.78522E-04 -0.75911E-05 3559 0.248E-02 0.589E-02 RMM: 6 -0.329097990986E+03 0.15826E-04 -0.21973E-05 2530 0.138E-02 130 T= 6465. E= 0.67452789E+03 F= 0.62717100E+03 E0= 0.65588796E+03 EK= 0.52647E+02 SP= -.55E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328857826034E+03 0.24018E+00 -0.11844E-01 7720 0.235E+01 0.217E-01 RMM: 2 -0.328876523427E+03 -0.18697E-01 -0.11016E-01 4817 0.791E-01 0.115E+00 RMM: 3 -0.328867317189E+03 0.92062E-02 -0.13289E-02 5531 0.243E-01 0.222E-01 RMM: 4 -0.328866902900E+03 0.41429E-03 -0.96844E-04 4835 0.652E-02 0.805E-02 RMM: 5 -0.328866871899E+03 0.31000E-04 -0.12431E-04 3981 0.290E-02 0.769E-02 RMM: 6 -0.328866839546E+03 0.32353E-04 -0.29646E-05 2608 0.159E-02 0.585E-02 RMM: 7 -0.328866872912E+03 -0.33366E-04 -0.60422E-05 3390 0.213E-02 0.101E-01 RMM: 8 -0.328866802352E+03 0.70560E-04 -0.83236E-05 3865 0.214E-02 0.376E-02 RMM: 9 -0.328866794831E+03 0.75209E-05 -0.12466E-05 2498 0.101E-02 131 T= 6396. E= 0.67452875E+03 F= 0.62740219E+03 E0= 0.65610282E+03 EK= 0.52083E+02 SP= -.52E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328746712164E+03 0.12009E+00 -0.11284E-01 7744 0.235E+01 0.243E-01 RMM: 2 -0.328761805371E+03 -0.15093E-01 -0.10080E-01 4946 0.744E-01 0.101E+00 RMM: 3 -0.328754645240E+03 0.71601E-02 -0.11107E-02 5598 0.222E-01 0.202E-01 RMM: 4 -0.328754611878E+03 0.33362E-04 -0.12155E-03 4793 0.821E-02 0.223E-01 RMM: 5 -0.328754367888E+03 0.24399E-03 -0.25239E-04 3886 0.417E-02 0.132E-01 RMM: 6 -0.328754250195E+03 0.11769E-03 -0.73301E-05 3496 0.256E-02 0.313E-02 RMM: 7 -0.328754257453E+03 -0.72581E-05 -0.22933E-05 2554 0.147E-02 132 T= 6342. E= 0.67452931E+03 F= 0.62751473E+03 E0= 0.65619979E+03 EK= 0.51644E+02 SP= -.48E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328750183895E+03 0.40663E-02 -0.11243E-01 7928 0.233E+01 0.209E-01 RMM: 2 -0.328766386722E+03 -0.16203E-01 -0.10466E-01 5034 0.757E-01 0.103E+00 RMM: 3 -0.328759060704E+03 0.73260E-02 -0.11861E-02 5692 0.222E-01 0.206E-01 RMM: 4 -0.328758674502E+03 0.38620E-03 -0.79530E-04 4838 0.600E-02 0.753E-02 RMM: 5 -0.328758641522E+03 0.32980E-04 -0.99818E-05 3856 0.260E-02 0.718E-02 RMM: 6 -0.328758615014E+03 0.26508E-04 -0.22885E-05 2565 0.141E-02 0.482E-02 RMM: 7 -0.328758617820E+03 -0.28062E-05 -0.31665E-05 2726 0.165E-02 133 T= 6303. E= 0.67452940E+03 F= 0.62751037E+03 E0= 0.65618076E+03 EK= 0.51330E+02 SP= -.45E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328859387666E+03 -0.10077E+00 -0.12005E-01 7960 0.232E+01 0.164E-01 RMM: 2 -0.328873683759E+03 -0.14296E-01 -0.11139E-01 4904 0.767E-01 0.787E-01 RMM: 3 -0.328869095204E+03 0.45886E-02 -0.12107E-02 5980 0.206E-01 0.135E-01 RMM: 4 -0.328868837260E+03 0.25794E-03 -0.57272E-04 4647 0.565E-02 0.101E-01 RMM: 5 -0.328868775705E+03 0.61555E-04 -0.81433E-05 3519 0.256E-02 0.628E-02 RMM: 6 -0.328868755933E+03 0.19773E-04 -0.23640E-05 2555 0.150E-02 134 T= 6279. E= 0.67452796E+03 F= 0.62740023E+03 E0= 0.65605503E+03 EK= 0.51129E+02 SP= -.42E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329045853568E+03 -0.17708E+00 -0.11926E-01 8296 0.232E+01 0.197E-01 RMM: 2 -0.329062422863E+03 -0.16569E-01 -0.11271E-01 4992 0.755E-01 0.984E-01 RMM: 3 -0.329055365890E+03 0.70570E-02 -0.11937E-02 5685 0.223E-01 0.182E-01 RMM: 4 -0.329055058500E+03 0.30739E-03 -0.77749E-04 4909 0.579E-02 0.813E-02 RMM: 5 -0.329055013906E+03 0.44594E-04 -0.88150E-05 3724 0.251E-02 0.706E-02 RMM: 6 -0.329054991965E+03 0.21941E-04 -0.23409E-05 2563 0.145E-02 0.561E-02 RMM: 7 -0.329054999843E+03 -0.78777E-05 -0.35543E-05 2758 0.174E-02 135 T= 6264. E= 0.67452492E+03 F= 0.62721399E+03 E0= 0.65585291E+03 EK= 0.51011E+02 SP= -.39E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329258748035E+03 -0.20376E+00 -0.12204E-01 8488 0.231E+01 0.223E-01 RMM: 2 -0.329275527948E+03 -0.16780E-01 -0.11528E-01 4865 0.763E-01 0.987E-01 RMM: 3 -0.329268313881E+03 0.72141E-02 -0.12469E-02 5639 0.234E-01 0.221E-01 RMM: 4 -0.329267941896E+03 0.37198E-03 -0.98465E-04 4737 0.685E-02 0.104E-01 RMM: 5 -0.329267939656E+03 0.22397E-05 -0.16259E-04 3869 0.332E-02 136 T= 6254. E= 0.67452137E+03 F= 0.62700105E+03 E0= 0.65562280E+03 EK= 0.50929E+02 SP= -.36E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329432578215E+03 -0.16464E+00 -0.14071E-01 8656 0.231E+01 0.173E-01 RMM: 2 -0.329451269319E+03 -0.18691E-01 -0.13912E-01 5070 0.815E-01 0.921E-01 RMM: 3 -0.329444562186E+03 0.67071E-02 -0.13377E-02 5849 0.224E-01 0.150E-01 RMM: 4 -0.329444276595E+03 0.28559E-03 -0.70118E-04 4855 0.577E-02 0.980E-02 RMM: 5 -0.329444213368E+03 0.63227E-04 -0.96915E-05 3779 0.268E-02 0.692E-02 RMM: 6 -0.329444198778E+03 0.14590E-04 -0.30469E-05 2643 0.165E-02 137 T= 6241. E= 0.67451745E+03 F= 0.62682479E+03 E0= 0.65542931E+03 EK= 0.50820E+02 SP= -.33E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329504357154E+03 -0.60144E-01 -0.14464E-01 8832 0.231E+01 0.263E-01 RMM: 2 -0.329534058435E+03 -0.29701E-01 -0.13164E-01 4954 0.775E-01 0.160E+00 RMM: 3 -0.329515149429E+03 0.18909E-01 -0.14425E-02 5405 0.273E-01 0.225E-01 RMM: 4 -0.329514801430E+03 0.34800E-03 -0.15211E-03 5080 0.740E-02 0.922E-02 RMM: 5 -0.329514757096E+03 0.44334E-04 -0.13431E-04 3852 0.305E-02 0.802E-02 RMM: 6 -0.329514721838E+03 0.35258E-04 -0.30449E-05 2714 0.165E-02 0.480E-02 RMM: 7 -0.329514730595E+03 -0.87565E-05 -0.22871E-05 2554 0.153E-02 138 T= 6215. E= 0.67451342E+03 F= 0.62675426E+03 E0= 0.65534150E+03 EK= 0.50615E+02 SP= -.30E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329408211868E+03 0.10651E+00 -0.15539E-01 8864 0.231E+01 0.349E-01 RMM: 2 -0.329444807498E+03 -0.36596E-01 -0.15965E-01 4901 0.877E-01 0.184E+00 RMM: 3 -0.329421017501E+03 0.23790E-01 -0.19283E-02 5421 0.314E-01 0.354E-01 RMM: 4 -0.329420099581E+03 0.91792E-03 -0.21953E-03 5176 0.967E-02 0.109E-01 RMM: 5 -0.329420155114E+03 -0.55534E-04 -0.31457E-04 3909 0.412E-02 0.148E-01 RMM: 6 -0.329420009910E+03 0.14520E-03 -0.88219E-05 3607 0.268E-02 0.423E-02 RMM: 7 -0.329420003402E+03 0.65075E-05 -0.18965E-05 2544 0.126E-02 139 T= 6172. E= 0.67451091E+03 F= 0.62684899E+03 E0= 0.65541901E+03 EK= 0.50258E+02 SP= -.27E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329109613035E+03 0.31040E+00 -0.17244E-01 8640 0.231E+01 0.207E-01 RMM: 2 -0.329134150078E+03 -0.24537E-01 -0.17551E-01 5267 0.873E-01 0.109E+00 RMM: 3 -0.329124675767E+03 0.94743E-02 -0.15130E-02 5625 0.246E-01 0.200E-01 RMM: 4 -0.329124268580E+03 0.40719E-03 -0.10425E-03 5060 0.661E-02 0.938E-02 RMM: 5 -0.329124222731E+03 0.45849E-04 -0.12427E-04 3862 0.289E-02 0.746E-02 RMM: 6 -0.329124189018E+03 0.33713E-04 -0.30049E-05 2729 0.165E-02 0.442E-02 RMM: 7 -0.329124199788E+03 -0.10770E-04 -0.25666E-05 2603 0.148E-02 140 T= 6105. E= 0.67451053E+03 F= 0.62714479E+03 E0= 0.65569707E+03 EK= 0.49716E+02 SP= -.25E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328609235270E+03 0.51495E+00 -0.16691E-01 8864 0.229E+01 0.192E-01 RMM: 2 -0.328628867981E+03 -0.19633E-01 -0.15710E-01 5176 0.828E-01 0.861E-01 RMM: 3 -0.328622575506E+03 0.62925E-02 -0.12870E-02 5808 0.228E-01 0.179E-01 RMM: 4 -0.328622254124E+03 0.32138E-03 -0.83625E-04 5086 0.595E-02 0.823E-02 RMM: 5 -0.328622231319E+03 0.22804E-04 -0.10705E-04 3674 0.281E-02 0.774E-02 RMM: 6 -0.328622193008E+03 0.38311E-04 -0.29044E-05 2745 0.164E-02 0.347E-02 RMM: 7 -0.328622195560E+03 -0.25520E-05 -0.16518E-05 2511 0.127E-02 141 T= 6016. E= 0.67451218E+03 F= 0.62764679E+03 E0= 0.65618294E+03 EK= 0.48988E+02 SP= -.22E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327926717439E+03 0.69548E+00 -0.17388E-01 8728 0.228E+01 0.158E-01 RMM: 2 -0.327945433361E+03 -0.18716E-01 -0.16415E-01 5255 0.857E-01 0.690E-01 RMM: 3 -0.327941036041E+03 0.43973E-02 -0.13123E-02 6057 0.218E-01 0.142E-01 RMM: 4 -0.327940736766E+03 0.29927E-03 -0.67211E-04 4763 0.585E-02 0.102E-01 RMM: 5 -0.327940671330E+03 0.65437E-04 -0.98124E-05 3575 0.275E-02 0.651E-02 RMM: 6 -0.327940648389E+03 0.22941E-04 -0.27065E-05 2583 0.157E-02 0.398E-02 RMM: 7 -0.327940652442E+03 -0.40534E-05 -0.25288E-05 2597 0.148E-02 142 T= 5907. E= 0.67451557E+03 F= 0.62832834E+03 E0= 0.65685025E+03 EK= 0.48102E+02 SP= -.20E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327123017955E+03 0.81763E+00 -0.16144E-01 8992 0.225E+01 0.186E-01 RMM: 2 -0.327140385389E+03 -0.17367E-01 -0.13963E-01 5352 0.771E-01 0.821E-01 RMM: 3 -0.327134564071E+03 0.58213E-02 -0.10207E-02 5898 0.206E-01 0.158E-01 RMM: 4 -0.327134344170E+03 0.21990E-03 -0.67941E-04 4972 0.537E-02 0.890E-02 RMM: 5 -0.327134307617E+03 0.36553E-04 -0.90851E-05 3596 0.250E-02 0.794E-02 RMM: 6 -0.327134268933E+03 0.38684E-04 -0.29305E-05 2746 0.167E-02 0.378E-02 RMM: 7 -0.327134274637E+03 -0.57043E-05 -0.25043E-05 2582 0.148E-02 143 T= 5786. E= 0.67452046E+03 F= 0.62913471E+03 E0= 0.65764700E+03 EK= 0.47118E+02 SP= -.18E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326267192886E+03 0.86708E+00 -0.15295E-01 8960 0.223E+01 0.164E-01 RMM: 2 -0.326284261491E+03 -0.17069E-01 -0.14904E-01 5239 0.814E-01 0.691E-01 RMM: 3 -0.326280082809E+03 0.41787E-02 -0.13086E-02 6086 0.208E-01 0.154E-01 RMM: 4 -0.326279751326E+03 0.33148E-03 -0.66465E-04 4683 0.569E-02 0.942E-02 RMM: 5 -0.326279696702E+03 0.54625E-04 -0.96806E-05 3630 0.256E-02 0.687E-02 RMM: 6 -0.326279670275E+03 0.26427E-04 -0.25094E-05 2572 0.152E-02 0.382E-02 RMM: 7 -0.326279671639E+03 -0.13637E-05 -0.20262E-05 2538 0.136E-02 144 T= 5663. E= 0.67452604E+03 F= 0.62998932E+03 E0= 0.65849821E+03 EK= 0.46113E+02 SP= -.16E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325452315400E+03 0.82735E+00 -0.14498E-01 8864 0.221E+01 0.177E-01 RMM: 2 -0.325469644372E+03 -0.17329E-01 -0.14125E-01 5261 0.802E-01 0.804E-01 RMM: 3 -0.325464292766E+03 0.53516E-02 -0.12009E-02 6030 0.206E-01 0.159E-01 RMM: 4 -0.325463984871E+03 0.30789E-03 -0.65151E-04 4832 0.545E-02 0.823E-02 RMM: 5 -0.325463952076E+03 0.32795E-04 -0.87370E-05 3592 0.246E-02 0.742E-02 RMM: 6 -0.325463920987E+03 0.31089E-04 -0.25618E-05 2591 0.157E-02 0.407E-02 RMM: 7 -0.325463924921E+03 -0.39340E-05 -0.20606E-05 2545 0.136E-02 145 T= 5548. E= 0.67453203E+03 F= 0.63080506E+03 E0= 0.65931864E+03 EK= 0.45179E+02 SP= -.15E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324764749958E+03 0.69917E+00 -0.12785E-01 8672 0.219E+01 0.187E-01 RMM: 2 -0.324781095918E+03 -0.16346E-01 -0.12366E-01 5145 0.766E-01 0.877E-01 RMM: 3 -0.324775209486E+03 0.58864E-02 -0.11217E-02 5857 0.209E-01 0.180E-01 RMM: 4 -0.324774872333E+03 0.33715E-03 -0.73358E-04 4860 0.574E-02 0.802E-02 RMM: 5 -0.324774841934E+03 0.30399E-04 -0.94469E-05 3670 0.246E-02 0.715E-02 RMM: 6 -0.324774813077E+03 0.28857E-04 -0.23030E-05 2572 0.149E-02 0.392E-02 RMM: 7 -0.324774814716E+03 -0.16392E-05 -0.14834E-05 2500 0.119E-02 146 T= 5453. E= 0.67453737E+03 F= 0.63149417E+03 E0= 0.66002252E+03 EK= 0.44404E+02 SP= -.14E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324280713521E+03 0.49410E+00 -0.10850E-01 8776 0.218E+01 0.177E-01 RMM: 2 -0.324293659152E+03 -0.12946E-01 -0.94456E-02 5278 0.666E-01 0.832E-01 RMM: 3 -0.324288419462E+03 0.52397E-02 -0.82738E-03 5702 0.188E-01 0.161E-01 RMM: 4 -0.324288193115E+03 0.22635E-03 -0.63263E-04 4889 0.499E-02 0.739E-02 RMM: 5 -0.324288165591E+03 0.27525E-04 -0.71157E-05 3483 0.226E-02 0.724E-02 RMM: 6 -0.324288136067E+03 0.29523E-04 -0.22297E-05 2567 0.147E-02 0.403E-02 RMM: 7 -0.324288137842E+03 -0.17750E-05 -0.18838E-05 2532 0.131E-02 147 T= 5387. E= 0.67454123E+03 F= 0.63198085E+03 E0= 0.66053350E+03 EK= 0.43865E+02 SP= -.13E+01 SK= 0.43E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324050761856E+03 0.23737E+00 -0.10425E-01 8264 0.218E+01 0.182E-01 RMM: 2 -0.324064793746E+03 -0.14032E-01 -0.95472E-02 5020 0.700E-01 0.921E-01 RMM: 3 -0.324058790467E+03 0.60033E-02 -0.98881E-03 5739 0.201E-01 0.174E-01 RMM: 4 -0.324058497972E+03 0.29249E-03 -0.68639E-04 4809 0.545E-02 0.759E-02 RMM: 5 -0.324058472033E+03 0.25940E-04 -0.87119E-05 3613 0.245E-02 0.675E-02 RMM: 6 -0.324058445374E+03 0.26659E-04 -0.22135E-05 2579 0.144E-02 0.376E-02 RMM: 7 -0.324058446581E+03 -0.12073E-05 -0.12891E-05 2488 0.114E-02 148 T= 5356. E= 0.67454292E+03 F= 0.63221054E+03 E0= 0.66079695E+03 EK= 0.43616E+02 SP= -.13E+01 SK= 0.19E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.324103598352E+03 -0.45153E-01 -0.94781E-02 8016 0.219E+01 0.166E-01 RMM: 2 -0.324113475294E+03 -0.98769E-02 -0.67986E-02 5198 0.592E-01 0.784E-01 RMM: 3 -0.324109063127E+03 0.44122E-02 -0.64559E-03 5564 0.172E-01 0.160E-01 RMM: 4 -0.324108862730E+03 0.20040E-03 -0.52128E-04 4522 0.471E-02 0.676E-02 RMM: 5 -0.324108841499E+03 0.21231E-04 -0.66032E-05 3448 0.222E-02 0.683E-02 RMM: 6 -0.324108815024E+03 0.26475E-04 -0.21482E-05 2556 0.145E-02 0.359E-02 RMM: 7 -0.324108815987E+03 -0.96313E-06 -0.12767E-05 2485 0.111E-02 149 T= 5364. E= 0.67454240E+03 F= 0.63216017E+03 E0= 0.66078762E+03 EK= 0.43682E+02 SP= -.13E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324422451438E+03 -0.31364E+00 -0.90670E-02 7816 0.220E+01 0.167E-01 RMM: 2 -0.324432553320E+03 -0.10102E-01 -0.63413E-02 5078 0.594E-01 0.851E-01 RMM: 3 -0.324427624276E+03 0.49290E-02 -0.68115E-03 5549 0.172E-01 0.149E-01 RMM: 4 -0.324427444222E+03 0.18005E-03 -0.52678E-04 4575 0.478E-02 0.749E-02 RMM: 5 -0.324427417244E+03 0.26979E-04 -0.71653E-05 3527 0.235E-02 0.609E-02 RMM: 6 -0.324427394399E+03 0.22845E-04 -0.21227E-05 2562 0.142E-02 0.324E-02 RMM: 7 -0.324427395708E+03 -0.13091E-05 -0.12581E-05 2481 0.111E-02 150 T= 5409. E= 0.67453970E+03 F= 0.63184159E+03 E0= 0.66051667E+03 EK= 0.44049E+02 SP= -.14E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324967743514E+03 -0.54035E+00 -0.89757E-02 7536 0.222E+01 0.158E-01 RMM: 2 -0.324976616481E+03 -0.88730E-02 -0.64338E-02 4983 0.605E-01 0.718E-01 RMM: 3 -0.324973087830E+03 0.35287E-02 -0.71580E-03 5645 0.170E-01 0.143E-01 RMM: 4 -0.324972898337E+03 0.18949E-03 -0.47561E-04 4495 0.475E-02 0.797E-02 RMM: 5 -0.324972866494E+03 0.31843E-04 -0.72613E-05 3500 0.245E-02 0.632E-02 RMM: 6 -0.324972840868E+03 0.25626E-04 -0.22635E-05 2561 0.146E-02 0.304E-02 RMM: 7 -0.324972841358E+03 -0.49013E-06 -0.14106E-05 2478 0.117E-02 151 T= 5486. E= 0.67453567E+03 F= 0.63129615E+03 E0= 0.66002288E+03 EK= 0.44678E+02 SP= -.15E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325680208853E+03 -0.70737E+00 -0.93429E-02 7648 0.224E+01 0.149E-01 RMM: 2 -0.325688567381E+03 -0.83585E-02 -0.58703E-02 4972 0.589E-01 0.725E-01 RMM: 3 -0.325685064949E+03 0.35024E-02 -0.65747E-03 5694 0.162E-01 0.132E-01 RMM: 4 -0.325684909297E+03 0.15565E-03 -0.40867E-04 4390 0.454E-02 0.823E-02 RMM: 5 -0.325684867824E+03 0.41473E-04 -0.64617E-05 3414 0.239E-02 0.542E-02 RMM: 6 -0.325684852034E+03 0.15790E-04 -0.20407E-05 2538 0.136E-02 152 T= 5588. E= 0.67453103E+03 F= 0.63058414E+03 E0= 0.65936470E+03 EK= 0.45507E+02 SP= -.16E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326488524809E+03 -0.80366E+00 -0.99211E-02 7440 0.226E+01 0.158E-01 RMM: 2 -0.326499020668E+03 -0.10496E-01 -0.64075E-02 4952 0.599E-01 0.855E-01 RMM: 3 -0.326493944310E+03 0.50764E-02 -0.73035E-03 5529 0.176E-01 0.158E-01 RMM: 4 -0.326493744243E+03 0.20007E-03 -0.52881E-04 4498 0.498E-02 0.766E-02 RMM: 5 -0.326493705327E+03 0.38916E-04 -0.68457E-05 3428 0.238E-02 0.557E-02 RMM: 6 -0.326493689701E+03 0.15626E-04 -0.20695E-05 2526 0.136E-02 153 T= 5706. E= 0.67452666E+03 F= 0.62977530E+03 E0= 0.65860998E+03 EK= 0.46466E+02 SP= -.18E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327326884804E+03 -0.83318E+00 -0.98767E-02 7376 0.228E+01 0.241E-01 RMM: 2 -0.327345882610E+03 -0.18998E-01 -0.63719E-02 5023 0.626E-01 0.144E+00 RMM: 3 -0.327331741769E+03 0.14141E-01 -0.89591E-03 5403 0.222E-01 0.220E-01 RMM: 4 -0.327331380281E+03 0.36149E-03 -0.91605E-04 4649 0.622E-02 0.745E-02 RMM: 5 -0.327331351914E+03 0.28367E-04 -0.10353E-04 3807 0.263E-02 0.689E-02 RMM: 6 -0.327331326225E+03 0.25689E-04 -0.22290E-05 2555 0.143E-02 0.444E-02 RMM: 7 -0.327331328680E+03 -0.24550E-05 -0.18947E-05 2508 0.138E-02 154 T= 5831. E= 0.67452254E+03 F= 0.62893766E+03 E0= 0.65782517E+03 EK= 0.47485E+02 SP= -.20E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328134103291E+03 -0.80278E+00 -0.97264E-02 7256 0.230E+01 0.199E-01 RMM: 2 -0.328146088364E+03 -0.11985E-01 -0.55079E-02 5020 0.561E-01 0.106E+00 RMM: 3 -0.328138410087E+03 0.76783E-02 -0.71482E-03 5412 0.196E-01 0.233E-01 RMM: 4 -0.328138112923E+03 0.29716E-03 -0.84175E-04 4624 0.633E-02 0.112E-01 RMM: 5 -0.328138088434E+03 0.24489E-04 -0.15176E-04 3860 0.338E-02 0.102E-01 RMM: 6 -0.328138017033E+03 0.71402E-04 -0.40488E-05 3086 0.200E-02 0.293E-02 RMM: 7 -0.328138015489E+03 0.15433E-05 -0.12323E-05 2485 0.110E-02 155 T= 5956. E= 0.67451927E+03 F= 0.62813097E+03 E0= 0.65706753E+03 EK= 0.48500E+02 SP= -.22E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328858262034E+03 -0.72025E+00 -0.10461E-01 7736 0.231E+01 0.189E-01 RMM: 2 -0.328870824603E+03 -0.12563E-01 -0.71608E-02 4908 0.645E-01 0.992E-01 RMM: 3 -0.328864185562E+03 0.66390E-02 -0.86133E-03 5506 0.198E-01 0.181E-01 RMM: 4 -0.328863922418E+03 0.26314E-03 -0.66864E-04 4654 0.552E-02 0.846E-02 RMM: 5 -0.328863875784E+03 0.46633E-04 -0.90186E-05 3676 0.261E-02 0.639E-02 RMM: 6 -0.328863851106E+03 0.24678E-04 -0.23189E-05 2545 0.147E-02 0.364E-02 RMM: 7 -0.328863849235E+03 0.18720E-05 -0.14158E-05 2485 0.116E-02 156 T= 6073. E= 0.67451656E+03 F= 0.62740514E+03 E0= 0.65638546E+03 EK= 0.49459E+02 SP= -.25E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329461861950E+03 -0.59801E+00 -0.10591E-01 7760 0.232E+01 0.126E-01 RMM: 2 -0.329470138280E+03 -0.82763E-02 -0.68815E-02 4957 0.613E-01 0.577E-01 RMM: 3 -0.329467744011E+03 0.23943E-02 -0.73046E-03 5712 0.161E-01 0.120E-01 RMM: 4 -0.329467605405E+03 0.13861E-03 -0.43103E-04 4417 0.469E-02 0.723E-02 RMM: 5 -0.329467572310E+03 0.33096E-04 -0.50804E-05 3081 0.224E-02 0.478E-02 RMM: 6 -0.329467562800E+03 0.95091E-05 -0.19304E-05 2514 0.133E-02 157 T= 6179. E= 0.67451440E+03 F= 0.62680143E+03 E0= 0.65581888E+03 EK= 0.50316E+02 SP= -.28E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329907809242E+03 -0.44024E+00 -0.11699E-01 7800 0.233E+01 0.170E-01 RMM: 2 -0.329922564374E+03 -0.14755E-01 -0.10066E-01 4803 0.733E-01 0.915E-01 RMM: 3 -0.329916548714E+03 0.60157E-02 -0.11679E-02 5628 0.208E-01 0.168E-01 RMM: 4 -0.329916254248E+03 0.29447E-03 -0.73739E-04 4749 0.591E-02 0.804E-02 RMM: 5 -0.329916212764E+03 0.41485E-04 -0.93627E-05 3734 0.253E-02 0.619E-02 RMM: 6 -0.329916192560E+03 0.20204E-04 -0.21228E-05 2533 0.139E-02 0.395E-02 RMM: 7 -0.329916189717E+03 0.28426E-05 -0.13085E-05 2478 0.115E-02 158 T= 6267. E= 0.67451300E+03 F= 0.62635280E+03 E0= 0.65539955E+03 EK= 0.51034E+02 SP= -.30E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330178035457E+03 -0.26184E+00 -0.11720E-01 7736 0.234E+01 0.167E-01 RMM: 2 -0.330189309972E+03 -0.11275E-01 -0.75664E-02 4835 0.666E-01 0.848E-01 RMM: 3 -0.330184394913E+03 0.49151E-02 -0.89440E-03 5628 0.190E-01 0.159E-01 RMM: 4 -0.330184173207E+03 0.22171E-03 -0.62891E-04 4640 0.570E-02 0.843E-02 RMM: 5 -0.330184141087E+03 0.32120E-04 -0.90206E-05 3640 0.260E-02 0.622E-02 RMM: 6 -0.330184118166E+03 0.22921E-04 -0.21603E-05 2548 0.142E-02 0.276E-02 RMM: 7 -0.330184119845E+03 -0.16786E-05 -0.12252E-05 2480 0.113E-02 159 T= 6334. E= 0.67451195E+03 F= 0.62608487E+03 E0= 0.65515270E+03 EK= 0.51584E+02 SP= -.33E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330247611190E+03 -0.63493E-01 -0.11287E-01 7880 0.234E+01 0.168E-01 RMM: 2 -0.330257852474E+03 -0.10241E-01 -0.70381E-02 4866 0.646E-01 0.815E-01 RMM: 3 -0.330253373132E+03 0.44793E-02 -0.82617E-03 5730 0.184E-01 0.138E-01 RMM: 4 -0.330253198542E+03 0.17459E-03 -0.50347E-04 4661 0.495E-02 0.925E-02 RMM: 5 -0.330253146254E+03 0.52288E-04 -0.77439E-05 3532 0.250E-02 0.604E-02 RMM: 6 -0.330253125617E+03 0.20637E-04 -0.23467E-05 2549 0.148E-02 0.319E-02 RMM: 7 -0.330253125247E+03 0.36965E-06 -0.15051E-05 2492 0.119E-02 160 T= 6379. E= 0.67451156E+03 F= 0.62601586E+03 E0= 0.65509642E+03 EK= 0.51945E+02 SP= -.36E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330107509873E+03 0.14562E+00 -0.11300E-01 7752 0.234E+01 0.133E-01 RMM: 2 -0.330115552836E+03 -0.80430E-02 -0.68112E-02 4919 0.633E-01 0.583E-01 RMM: 3 -0.330113282160E+03 0.22707E-02 -0.78112E-03 5937 0.166E-01 0.112E-01 RMM: 4 -0.330113121889E+03 0.16027E-03 -0.36100E-04 4455 0.444E-02 0.867E-02 RMM: 5 -0.330113070401E+03 0.51487E-04 -0.54285E-05 3227 0.231E-02 0.451E-02 RMM: 6 -0.330113062337E+03 0.80643E-05 -0.18718E-05 2513 0.129E-02 161 T= 6398. E= 0.67451280E+03 F= 0.62615593E+03 E0= 0.65524109E+03 EK= 0.52104E+02 SP= -.39E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329762103164E+03 0.35097E+00 -0.11132E-01 7704 0.234E+01 0.152E-01 RMM: 2 -0.329772835497E+03 -0.10732E-01 -0.79020E-02 4870 0.674E-01 0.755E-01 RMM: 3 -0.329768915490E+03 0.39200E-02 -0.92363E-03 5725 0.186E-01 0.158E-01 RMM: 4 -0.329768661853E+03 0.25364E-03 -0.51530E-04 4610 0.503E-02 0.713E-02 RMM: 5 -0.329768629118E+03 0.32734E-04 -0.69198E-05 3433 0.232E-02 0.581E-02 RMM: 6 -0.329768612267E+03 0.16851E-04 -0.21340E-05 2528 0.142E-02 162 T= 6393. E= 0.67451477E+03 F= 0.62650038E+03 E0= 0.65558372E+03 EK= 0.52064E+02 SP= -.42E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329233715946E+03 0.53491E+00 -0.11045E-01 7744 0.234E+01 0.244E-01 RMM: 2 -0.329252215022E+03 -0.18499E-01 -0.66774E-02 5039 0.649E-01 0.141E+00 RMM: 3 -0.329238746857E+03 0.13468E-01 -0.91929E-03 5396 0.226E-01 0.227E-01 RMM: 4 -0.329238366726E+03 0.38013E-03 -0.95632E-04 4668 0.635E-02 0.709E-02 RMM: 5 -0.329238346488E+03 0.20238E-04 -0.10918E-04 3953 0.257E-02 0.711E-02 RMM: 6 -0.329238316317E+03 0.30171E-04 -0.21045E-05 2553 0.138E-02 0.424E-02 RMM: 7 -0.329238320710E+03 -0.43926E-05 -0.23612E-05 2540 0.153E-02 163 T= 6366. E= 0.67451822E+03 F= 0.62703067E+03 E0= 0.65610710E+03 EK= 0.51842E+02 SP= -.46E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328552638291E+03 0.68568E+00 -0.11671E-01 7648 0.233E+01 0.191E-01 RMM: 2 -0.328563669504E+03 -0.11031E-01 -0.74411E-02 4910 0.660E-01 0.856E-01 RMM: 3 -0.328558665899E+03 0.50036E-02 -0.89749E-03 5530 0.198E-01 0.187E-01 RMM: 4 -0.328558470216E+03 0.19568E-03 -0.83020E-04 4664 0.636E-02 0.121E-01 RMM: 5 -0.328558414361E+03 0.55855E-04 -0.13443E-04 3787 0.294E-02 0.861E-02 RMM: 6 -0.328558366196E+03 0.48165E-04 -0.30023E-05 2852 0.170E-02 0.249E-02 RMM: 7 -0.328558367514E+03 -0.13179E-05 -0.12661E-05 2483 0.110E-02 164 T= 6321. E= 0.67452276E+03 F= 0.62771062E+03 E0= 0.65677661E+03 EK= 0.51475E+02 SP= -.49E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327775782845E+03 0.78258E+00 -0.11402E-01 7608 0.232E+01 0.188E-01 RMM: 2 -0.327788505822E+03 -0.12723E-01 -0.72728E-02 5026 0.649E-01 0.101E+00 RMM: 3 -0.327781639671E+03 0.68662E-02 -0.83567E-03 5578 0.189E-01 0.156E-01 RMM: 4 -0.327781438484E+03 0.20119E-03 -0.61811E-04 4734 0.519E-02 0.884E-02 RMM: 5 -0.327781384032E+03 0.54452E-04 -0.81516E-05 3635 0.238E-02 0.602E-02 RMM: 6 -0.327781363370E+03 0.20662E-04 -0.21016E-05 2537 0.137E-02 0.380E-02 RMM: 7 -0.327781361517E+03 0.18526E-05 -0.15408E-05 2496 0.118E-02 165 T= 6265. E= 0.67452851E+03 F= 0.62848763E+03 E0= 0.65754161E+03 EK= 0.51017E+02 SP= -.52E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326969696335E+03 0.81167E+00 -0.11175E-01 7640 0.231E+01 0.148E-01 RMM: 2 -0.326979531472E+03 -0.98351E-02 -0.74100E-02 4945 0.648E-01 0.723E-01 RMM: 3 -0.326976049329E+03 0.34821E-02 -0.87144E-03 5751 0.174E-01 0.142E-01 RMM: 4 -0.326975838066E+03 0.21126E-03 -0.49497E-04 4505 0.492E-02 0.750E-02 RMM: 5 -0.326975809338E+03 0.28728E-04 -0.67500E-05 3428 0.232E-02 0.562E-02 RMM: 6 -0.326975793609E+03 0.15730E-04 -0.21115E-05 2531 0.142E-02 166 T= 6206. E= 0.67453449E+03 F= 0.62929320E+03 E0= 0.65833439E+03 EK= 0.50536E+02 SP= -.55E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326208165559E+03 0.76764E+00 -0.11579E-01 7584 0.231E+01 0.159E-01 RMM: 2 -0.326221252172E+03 -0.13087E-01 -0.95590E-02 4852 0.733E-01 0.822E-01 RMM: 3 -0.326216491860E+03 0.47603E-02 -0.11269E-02 5770 0.197E-01 0.149E-01 RMM: 4 -0.326216223857E+03 0.26800E-03 -0.60550E-04 4677 0.546E-02 0.795E-02 RMM: 5 -0.326216180945E+03 0.42912E-04 -0.79213E-05 3687 0.228E-02 0.620E-02 RMM: 6 -0.326216164286E+03 0.16660E-04 -0.22101E-05 2529 0.144E-02 167 T= 6153. E= 0.67454064E+03 F= 0.63005282E+03 E0= 0.65908169E+03 EK= 0.50109E+02 SP= -.59E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325569719546E+03 0.64646E+00 -0.10927E-01 7480 0.230E+01 0.257E-01 RMM: 2 -0.325589537673E+03 -0.19818E-01 -0.73604E-02 4855 0.679E-01 0.145E+00 RMM: 3 -0.325575476044E+03 0.14062E-01 -0.10949E-02 5355 0.246E-01 0.254E-01 RMM: 4 -0.325575034502E+03 0.44154E-03 -0.11265E-03 4696 0.671E-02 0.745E-02 RMM: 5 -0.325575028083E+03 0.64189E-05 -0.13337E-04 3875 0.294E-02 168 T= 6117. E= 0.67454675E+03 F= 0.63069396E+03 E0= 0.65971093E+03 EK= 0.49810E+02 SP= -.62E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325107219018E+03 0.46782E+00 -0.10854E-01 7528 0.230E+01 0.196E-01 RMM: 2 -0.325122694695E+03 -0.15476E-01 -0.66620E-02 4954 0.616E-01 0.121E+00 RMM: 3 -0.325112730528E+03 0.99642E-02 -0.83866E-03 5370 0.204E-01 0.185E-01 RMM: 4 -0.325112521623E+03 0.20890E-03 -0.79903E-04 4659 0.573E-02 0.959E-02 RMM: 5 -0.325112487971E+03 0.33652E-04 -0.10446E-04 3730 0.274E-02 0.758E-02 RMM: 6 -0.325112457228E+03 0.30743E-04 -0.29819E-05 2745 0.166E-02 0.441E-02 RMM: 7 -0.325112474259E+03 -0.17031E-04 -0.26050E-05 2583 0.149E-02 169 T= 6103. E= 0.67455130E+03 F= 0.63115652E+03 E0= 0.66016283E+03 EK= 0.49701E+02 SP= -.66E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324863127959E+03 0.24933E+00 -0.10911E-01 7504 0.230E+01 0.200E-01 RMM: 2 -0.324874817322E+03 -0.11689E-01 -0.72872E-02 4740 0.663E-01 0.929E-01 RMM: 3 -0.324868997959E+03 0.58194E-02 -0.90928E-03 5470 0.201E-01 0.160E-01 RMM: 4 -0.324868911194E+03 0.86765E-04 -0.75283E-04 4648 0.590E-02 0.134E-01 RMM: 5 -0.324868843612E+03 0.67583E-04 -0.13432E-04 3802 0.304E-02 0.942E-02 RMM: 6 -0.324868785755E+03 0.57856E-04 -0.45624E-05 3146 0.202E-02 0.236E-02 RMM: 7 -0.324868791204E+03 -0.54486E-05 -0.13097E-05 2498 0.116E-02 170 T= 6118. E= 0.67455281E+03 F= 0.63140020E+03 E0= 0.66039594E+03 EK= 0.49822E+02 SP= -.70E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324850240027E+03 0.18546E-01 -0.10777E-01 7776 0.232E+01 0.131E-01 RMM: 2 -0.324858660822E+03 -0.84208E-02 -0.71505E-02 4865 0.657E-01 0.586E-01 RMM: 3 -0.324856457449E+03 0.22034E-02 -0.86864E-03 5884 0.173E-01 0.103E-01 RMM: 4 -0.324856300744E+03 0.15671E-03 -0.37549E-04 4577 0.454E-02 0.898E-02 RMM: 5 -0.324856237968E+03 0.62776E-04 -0.57022E-05 3260 0.237E-02 0.466E-02 RMM: 6 -0.324856230256E+03 0.77126E-05 -0.20276E-05 2511 0.130E-02 171 T= 6163. E= 0.67455191E+03 F= 0.63141276E+03 E0= 0.66039747E+03 EK= 0.50188E+02 SP= -.74E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325048022803E+03 -0.19178E+00 -0.11483E-01 7728 0.233E+01 0.179E-01 RMM: 2 -0.325062981589E+03 -0.14959E-01 -0.98616E-02 4681 0.767E-01 0.947E-01 RMM: 3 -0.325056694486E+03 0.62871E-02 -0.12297E-02 5605 0.220E-01 0.178E-01 RMM: 4 -0.325056379898E+03 0.31459E-03 -0.78471E-04 4850 0.601E-02 0.731E-02 RMM: 5 -0.325056365534E+03 0.14364E-04 -0.10703E-04 3853 0.282E-02 172 T= 6236. E= 0.67454973E+03 F= 0.63121262E+03 E0= 0.66018627E+03 EK= 0.50781E+02 SP= -.78E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325417573156E+03 -0.36119E+00 -0.11172E-01 7688 0.236E+01 0.186E-01 RMM: 2 -0.325431230353E+03 -0.13657E-01 -0.96410E-02 4768 0.751E-01 0.884E-01 RMM: 3 -0.325426159540E+03 0.50708E-02 -0.12304E-02 5695 0.215E-01 0.209E-01 RMM: 4 -0.325425762425E+03 0.39711E-03 -0.80039E-04 4701 0.643E-02 0.914E-02 RMM: 5 -0.325425718263E+03 0.44163E-04 -0.11377E-04 3962 0.272E-02 0.758E-02 RMM: 6 -0.325425694098E+03 0.24165E-04 -0.28445E-05 2573 0.162E-02 0.535E-02 RMM: 7 -0.325425711502E+03 -0.17405E-04 -0.53897E-05 3277 0.202E-02 173 T= 6331. E= 0.67454611E+03 F= 0.63084328E+03 E0= 0.65980629E+03 EK= 0.51556E+02 SP= -.82E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325895180409E+03 -0.46949E+00 -0.12008E-01 7592 0.238E+01 0.199E-01 RMM: 2 -0.325908683552E+03 -0.13503E-01 -0.10998E-01 4649 0.809E-01 0.760E-01 RMM: 3 -0.325904669502E+03 0.40141E-02 -0.13645E-02 5895 0.218E-01 0.173E-01 RMM: 4 -0.325904468867E+03 0.20063E-03 -0.88075E-04 4753 0.715E-02 0.174E-01 RMM: 5 -0.325904307476E+03 0.16139E-03 -0.19422E-04 3871 0.384E-02 0.841E-02 RMM: 6 -0.325904268551E+03 0.38924E-04 -0.47598E-05 3143 0.206E-02 0.362E-02 RMM: 7 -0.325904284220E+03 -0.15669E-04 -0.21934E-05 2551 0.149E-02 174 T= 6441. E= 0.67454133E+03 F= 0.63036471E+03 E0= 0.65931718E+03 EK= 0.52453E+02 SP= -.87E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326417432351E+03 -0.51316E+00 -0.11325E-01 7736 0.240E+01 0.149E-01 RMM: 2 -0.326428386241E+03 -0.10954E-01 -0.91986E-02 4907 0.720E-01 0.659E-01 RMM: 3 -0.326425457780E+03 0.29285E-02 -0.10584E-02 5903 0.190E-01 0.120E-01 RMM: 4 -0.326425260939E+03 0.19684E-03 -0.48826E-04 4598 0.513E-02 0.107E-01 RMM: 5 -0.326425174152E+03 0.86787E-04 -0.76926E-05 3510 0.261E-02 0.562E-02 RMM: 6 -0.326425161176E+03 0.12976E-04 -0.23519E-05 2533 0.141E-02 175 T= 6558. E= 0.67453733E+03 F= 0.62984383E+03 E0= 0.65878508E+03 EK= 0.53403E+02 SP= -.91E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326917187783E+03 -0.49201E+00 -0.11682E-01 7680 0.242E+01 0.172E-01 RMM: 2 -0.326931351189E+03 -0.14163E-01 -0.97804E-02 4827 0.736E-01 0.899E-01 RMM: 3 -0.326925729265E+03 0.56219E-02 -0.11864E-02 5737 0.207E-01 0.174E-01 RMM: 4 -0.326925388506E+03 0.34076E-03 -0.64751E-04 4750 0.559E-02 0.738E-02 RMM: 5 -0.326925357553E+03 0.30954E-04 -0.83796E-05 3711 0.246E-02 0.657E-02 RMM: 6 -0.326925341194E+03 0.16358E-04 -0.24264E-05 2548 0.150E-02 176 T= 6673. E= 0.67453361E+03 F= 0.62934365E+03 E0= 0.65827704E+03 EK= 0.54337E+02 SP= -.95E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327344153248E+03 -0.41880E+00 -0.11688E-01 7608 0.244E+01 0.329E-01 RMM: 2 -0.327372181734E+03 -0.28028E-01 -0.94992E-02 4980 0.767E-01 0.177E+00 RMM: 3 -0.327351360463E+03 0.20821E-01 -0.14572E-02 5397 0.288E-01 0.342E-01 RMM: 4 -0.327350546647E+03 0.81382E-03 -0.17374E-03 4880 0.878E-02 0.101E-01 RMM: 5 -0.327350519726E+03 0.26921E-04 -0.21552E-04 3896 0.340E-02 0.106E-01 RMM: 6 -0.327350450520E+03 0.69206E-04 -0.47169E-05 3156 0.210E-02 0.469E-02 RMM: 7 -0.327350446395E+03 0.41253E-05 -0.17010E-05 2507 0.125E-02 177 T= 6778. E= 0.67453096E+03 F= 0.62891854E+03 E0= 0.65784637E+03 EK= 0.55198E+02 SP= -.99E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327654146267E+03 -0.30370E+00 -0.11989E-01 7632 0.245E+01 0.271E-01 RMM: 2 -0.327675590177E+03 -0.21444E-01 -0.83617E-02 5022 0.686E-01 0.147E+00 RMM: 3 -0.327660788580E+03 0.14802E-01 -0.11550E-02 5405 0.249E-01 0.292E-01 RMM: 4 -0.327660210159E+03 0.57842E-03 -0.13574E-03 4729 0.786E-02 0.106E-01 RMM: 5 -0.327660215083E+03 -0.49237E-05 -0.20061E-04 3891 0.353E-02 0.117E-01 RMM: 6 -0.327660127217E+03 0.87866E-04 -0.55795E-05 3282 0.225E-02 0.398E-02 RMM: 7 -0.327660124368E+03 0.28490E-05 -0.17498E-05 2519 0.128E-02 178 T= 6869. E= 0.67452934E+03 F= 0.62860886E+03 E0= 0.65753521E+03 EK= 0.55940E+02 SP= -.10E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327818759700E+03 -0.15863E+00 -0.11862E-01 7656 0.245E+01 0.219E-01 RMM: 2 -0.327835046080E+03 -0.16286E-01 -0.91545E-02 4996 0.714E-01 0.113E+00 RMM: 3 -0.327826252622E+03 0.87935E-02 -0.11007E-02 5558 0.222E-01 0.197E-01 RMM: 4 -0.327825960255E+03 0.29237E-03 -0.86189E-04 4847 0.594E-02 0.895E-02 RMM: 5 -0.327825920980E+03 0.39274E-04 -0.11659E-04 3790 0.286E-02 0.755E-02 RMM: 6 -0.327825885609E+03 0.35371E-04 -0.30163E-05 2819 0.166E-02 0.355E-02 RMM: 7 -0.327825886486E+03 -0.87714E-06 -0.15225E-05 2494 0.122E-02 179 T= 6942. E= 0.67452845E+03 F= 0.62844310E+03 E0= 0.65737185E+03 EK= 0.56529E+02 SP= -.11E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327822327206E+03 0.35584E-02 -0.11529E-01 7768 0.246E+01 0.172E-01 RMM: 2 -0.327834978109E+03 -0.12651E-01 -0.93275E-02 4922 0.715E-01 0.819E-01 RMM: 3 -0.327830248614E+03 0.47295E-02 -0.10767E-02 5829 0.200E-01 0.155E-01 RMM: 4 -0.327829971384E+03 0.27723E-03 -0.58623E-04 4788 0.527E-02 0.796E-02 RMM: 5 -0.327829933914E+03 0.37471E-04 -0.80502E-05 3568 0.248E-02 0.601E-02 RMM: 6 -0.327829913863E+03 0.20051E-04 -0.22195E-05 2560 0.143E-02 0.376E-02 RMM: 7 -0.327829913190E+03 0.67260E-06 -0.14738E-05 2497 0.119E-02 180 T= 6992. E= 0.67452740E+03 F= 0.62843908E+03 E0= 0.65737495E+03 EK= 0.56942E+02 SP= -.11E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327651348379E+03 0.17857E+00 -0.13049E-01 7664 0.247E+01 0.158E-01 RMM: 2 -0.327665767668E+03 -0.14419E-01 -0.11697E-01 4819 0.790E-01 0.751E-01 RMM: 3 -0.327661540730E+03 0.42269E-02 -0.13435E-02 5958 0.215E-01 0.145E-01 RMM: 4 -0.327661236443E+03 0.30429E-03 -0.59661E-04 4802 0.545E-02 0.873E-02 RMM: 5 -0.327661192616E+03 0.43827E-04 -0.83670E-05 3547 0.261E-02 0.648E-02 RMM: 6 -0.327661168291E+03 0.24325E-04 -0.25819E-05 2571 0.155E-02 0.362E-02 RMM: 7 -0.327661165493E+03 0.27978E-05 -0.18418E-05 2500 0.132E-02 181 T= 7020. E= 0.67452729E+03 F= 0.62860782E+03 E0= 0.65755588E+03 EK= 0.57165E+02 SP= -.11E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327312995880E+03 0.34817E+00 -0.12378E-01 7816 0.247E+01 0.171E-01 RMM: 2 -0.327325717189E+03 -0.12721E-01 -0.97750E-02 5035 0.713E-01 0.791E-01 RMM: 3 -0.327321165951E+03 0.45512E-02 -0.10331E-02 5915 0.195E-01 0.166E-01 RMM: 4 -0.327320875579E+03 0.29037E-03 -0.56939E-04 4707 0.530E-02 0.858E-02 RMM: 5 -0.327320837958E+03 0.37622E-04 -0.81012E-05 3549 0.242E-02 0.729E-02 RMM: 6 -0.327320808641E+03 0.29317E-04 -0.25304E-05 2607 0.157E-02 0.421E-02 RMM: 7 -0.327320808985E+03 -0.34442E-06 -0.17875E-05 2512 0.127E-02 182 T= 7024. E= 0.67452817E+03 F= 0.62894818E+03 E0= 0.65791236E+03 EK= 0.57197E+02 SP= -.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326818378076E+03 0.50243E+00 -0.12046E-01 7680 0.247E+01 0.168E-01 RMM: 2 -0.326831947084E+03 -0.13569E-01 -0.11350E-01 4989 0.760E-01 0.704E-01 RMM: 3 -0.326828001061E+03 0.39460E-02 -0.12122E-02 5904 0.208E-01 0.147E-01 RMM: 4 -0.326827746268E+03 0.25479E-03 -0.60472E-04 4832 0.539E-02 0.955E-02 RMM: 5 -0.326827693462E+03 0.52805E-04 -0.78989E-05 3543 0.245E-02 0.700E-02 RMM: 6 -0.326827668914E+03 0.24548E-04 -0.23901E-05 2556 0.151E-02 0.412E-02 RMM: 7 -0.326827668545E+03 0.36907E-06 -0.20667E-05 2531 0.138E-02 183 T= 7006. E= 0.67453051E+03 F= 0.62944132E+03 E0= 0.65842467E+03 EK= 0.57055E+02 SP= -.12E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326211701830E+03 0.61597E+00 -0.11542E-01 7704 0.246E+01 0.196E-01 RMM: 2 -0.326225448874E+03 -0.13747E-01 -0.98263E-02 5066 0.725E-01 0.886E-01 RMM: 3 -0.326219877295E+03 0.55716E-02 -0.10650E-02 5771 0.206E-01 0.186E-01 RMM: 4 -0.326219580422E+03 0.29687E-03 -0.70354E-04 4747 0.584E-02 0.103E-01 RMM: 5 -0.326219533752E+03 0.46670E-04 -0.10191E-04 3677 0.268E-02 0.853E-02 RMM: 6 -0.326219490667E+03 0.43085E-04 -0.30294E-05 2807 0.172E-02 0.427E-02 RMM: 7 -0.326219491908E+03 -0.12412E-05 -0.16907E-05 2511 0.126E-02 184 T= 6972. E= 0.67453418E+03 F= 0.63004950E+03 E0= 0.65905327E+03 EK= 0.56777E+02 SP= -.12E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325537872782E+03 0.68162E+00 -0.11616E-01 7616 0.245E+01 0.199E-01 RMM: 2 -0.325551178720E+03 -0.13306E-01 -0.94447E-02 4987 0.727E-01 0.871E-01 RMM: 3 -0.325545779145E+03 0.53996E-02 -0.10753E-02 5673 0.211E-01 0.192E-01 RMM: 4 -0.325545474019E+03 0.30513E-03 -0.72529E-04 4744 0.580E-02 0.929E-02 RMM: 5 -0.325545430650E+03 0.43369E-04 -0.10060E-04 3731 0.268E-02 0.741E-02 RMM: 6 -0.325545400994E+03 0.29656E-04 -0.25538E-05 2616 0.156E-02 0.400E-02 RMM: 7 -0.325545403835E+03 -0.28414E-05 -0.18103E-05 2508 0.131E-02 185 T= 6927. E= 0.67453825E+03 F= 0.63072359E+03 E0= 0.65974789E+03 EK= 0.56413E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324840284960E+03 0.70512E+00 -0.11479E-01 7624 0.244E+01 0.193E-01 RMM: 2 -0.324853393524E+03 -0.13109E-01 -0.82874E-02 4990 0.692E-01 0.965E-01 RMM: 3 -0.324847176821E+03 0.62167E-02 -0.92911E-03 5599 0.198E-01 0.182E-01 RMM: 4 -0.324846937235E+03 0.23959E-03 -0.67786E-04 4648 0.581E-02 0.101E-01 RMM: 5 -0.324846899986E+03 0.37249E-04 -0.10990E-04 3715 0.280E-02 0.834E-02 RMM: 6 -0.324846856175E+03 0.43810E-04 -0.33545E-05 2942 0.180E-02 0.334E-02 RMM: 7 -0.324846858253E+03 -0.20772E-05 -0.14084E-05 2491 0.116E-02 186 T= 6877. E= 0.67454083E+03 F= 0.63142213E+03 E0= 0.66046523E+03 EK= 0.56004E+02 SP= -.13E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324129494283E+03 0.71736E+00 -0.11669E-01 7600 0.244E+01 0.163E-01 RMM: 2 -0.324141118811E+03 -0.11625E-01 -0.93968E-02 4899 0.736E-01 0.706E-01 RMM: 3 -0.324137506968E+03 0.36118E-02 -0.10424E-02 5686 0.198E-01 0.155E-01 RMM: 4 -0.324137293127E+03 0.21384E-03 -0.58958E-04 4704 0.549E-02 0.938E-02 RMM: 5 -0.324137245402E+03 0.47726E-04 -0.89504E-05 3601 0.259E-02 0.696E-02 RMM: 6 -0.324137217670E+03 0.27732E-04 -0.26652E-05 2606 0.161E-02 0.311E-02 RMM: 7 -0.324137219886E+03 -0.22162E-05 -0.16130E-05 2488 0.122E-02 187 T= 6823. E= 0.67454128E+03 F= 0.63213177E+03 E0= 0.66119142E+03 EK= 0.55564E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323393946733E+03 0.74327E+00 -0.11024E-01 7728 0.243E+01 0.170E-01 RMM: 2 -0.323405056433E+03 -0.11110E-01 -0.77580E-02 5002 0.661E-01 0.832E-01 RMM: 3 -0.323400365056E+03 0.46914E-02 -0.84689E-03 5754 0.182E-01 0.151E-01 RMM: 4 -0.323400172777E+03 0.19228E-03 -0.52095E-04 4634 0.523E-02 0.105E-01 RMM: 5 -0.323400112591E+03 0.60186E-04 -0.83261E-05 3553 0.252E-02 0.693E-02 RMM: 6 -0.323400085335E+03 0.27256E-04 -0.26804E-05 2682 0.164E-02 0.360E-02 RMM: 7 -0.323400090587E+03 -0.52518E-05 -0.21373E-05 2533 0.135E-02 188 T= 6764. E= 0.67454072E+03 F= 0.63286890E+03 E0= 0.66194206E+03 EK= 0.55080E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322599074693E+03 0.80101E+00 -0.11598E-01 7864 0.243E+01 0.164E-01 RMM: 2 -0.322610795112E+03 -0.11720E-01 -0.10160E-01 4910 0.745E-01 0.644E-01 RMM: 3 -0.322607724663E+03 0.30704E-02 -0.11590E-02 5905 0.205E-01 0.144E-01 RMM: 4 -0.322607484400E+03 0.24026E-03 -0.56356E-04 4753 0.540E-02 0.109E-01 RMM: 5 -0.322607403576E+03 0.80824E-04 -0.83806E-05 3552 0.259E-02 0.643E-02 RMM: 6 -0.322607385424E+03 0.18152E-04 -0.24448E-05 2560 0.152E-02 189 T= 6696. E= 0.67454103E+03 F= 0.63366160E+03 E0= 0.66274573E+03 EK= 0.54529E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321735756255E+03 0.87165E+00 -0.11806E-01 8336 0.242E+01 0.177E-01 RMM: 2 -0.321749744706E+03 -0.13988E-01 -0.99650E-02 5155 0.703E-01 0.868E-01 RMM: 3 -0.321744097312E+03 0.56474E-02 -0.97950E-03 5555 0.205E-01 0.200E-01 RMM: 4 -0.321743800617E+03 0.29670E-03 -0.68627E-04 4833 0.553E-02 0.880E-02 RMM: 5 -0.321743753183E+03 0.47434E-04 -0.72066E-05 3544 0.227E-02 0.758E-02 RMM: 6 -0.321743738540E+03 0.14643E-04 -0.22592E-05 2538 0.145E-02 190 T= 6619. E= 0.67454325E+03 F= 0.63452525E+03 E0= 0.66361781E+03 EK= 0.53898E+02 SP= -.14E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320814093021E+03 0.92966E+00 -0.12305E-01 8456 0.240E+01 0.355E-01 RMM: 2 -0.320851910847E+03 -0.37818E-01 -0.11003E-01 4992 0.776E-01 0.208E+00 RMM: 3 -0.320822548110E+03 0.29363E-01 -0.17436E-02 5380 0.317E-01 0.382E-01 RMM: 4 -0.320821487135E+03 0.10610E-02 -0.20848E-03 5100 0.945E-02 0.970E-02 RMM: 5 -0.320821448618E+03 0.38517E-04 -0.23166E-04 4373 0.297E-02 0.999E-02 RMM: 6 -0.320821397176E+03 0.51442E-04 -0.31050E-05 2708 0.174E-02 0.639E-02 RMM: 7 -0.320821412601E+03 -0.15425E-04 -0.34620E-05 2912 0.168E-02 191 T= 6533. E= 0.67454720E+03 F= 0.63544758E+03 E0= 0.66454670E+03 EK= 0.53203E+02 SP= -.14E+02 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319872039107E+03 0.94936E+00 -0.13015E-01 8536 0.239E+01 0.352E-01 RMM: 2 -0.319910249524E+03 -0.38210E-01 -0.11617E-01 4953 0.768E-01 0.207E+00 RMM: 3 -0.319880747152E+03 0.29502E-01 -0.16835E-02 5391 0.307E-01 0.353E-01 RMM: 4 -0.319879894159E+03 0.85299E-03 -0.22008E-03 5130 0.997E-02 0.149E-01 RMM: 5 -0.319879927709E+03 -0.33550E-04 -0.33943E-04 3924 0.440E-02 0.168E-01 RMM: 6 -0.319879740613E+03 0.18710E-03 -0.10753E-04 3706 0.297E-02 0.455E-02 RMM: 7 -0.319879736140E+03 0.44725E-05 -0.21639E-05 2578 0.136E-02 192 T= 6445. E= 0.67455167E+03 F= 0.63638925E+03 E0= 0.66549256E+03 EK= 0.52485E+02 SP= -.14E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318963122967E+03 0.91662E+00 -0.13899E-01 8776 0.237E+01 0.300E-01 RMM: 2 -0.318993604187E+03 -0.30481E-01 -0.12809E-01 4983 0.794E-01 0.170E+00 RMM: 3 -0.318973155582E+03 0.20449E-01 -0.15788E-02 5407 0.288E-01 0.295E-01 RMM: 4 -0.318972555311E+03 0.60027E-03 -0.16344E-03 5020 0.786E-02 0.992E-02 RMM: 5 -0.318972483763E+03 0.71548E-04 -0.16738E-04 3867 0.332E-02 0.913E-02 RMM: 6 -0.318972431638E+03 0.52125E-04 -0.40016E-05 2968 0.188E-02 0.535E-02 RMM: 7 -0.318972436923E+03 -0.52846E-05 -0.29237E-05 2622 0.163E-02 193 T= 6361. E= 0.67455576E+03 F= 0.63729655E+03 E0= 0.66640063E+03 EK= 0.51800E+02 SP= -.15E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318145228557E+03 0.82720E+00 -0.14586E-01 8768 0.236E+01 0.224E-01 RMM: 2 -0.318165659400E+03 -0.20431E-01 -0.12599E-01 5056 0.769E-01 0.116E+00 RMM: 3 -0.318155571347E+03 0.10088E-01 -0.12906E-02 5578 0.239E-01 0.201E-01 RMM: 4 -0.318155228349E+03 0.34300E-03 -0.10032E-03 4943 0.635E-02 0.963E-02 RMM: 5 -0.318155187058E+03 0.41291E-04 -0.12409E-04 3799 0.301E-02 0.790E-02 RMM: 6 -0.318155148758E+03 0.38300E-04 -0.31501E-05 2875 0.168E-02 0.424E-02 RMM: 7 -0.318155155996E+03 -0.72378E-05 -0.25539E-05 2579 0.156E-02 194 T= 6288. E= 0.67455874E+03 F= 0.63811383E+03 E0= 0.66721608E+03 EK= 0.51207E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317463123893E+03 0.69202E+00 -0.16310E-01 8648 0.235E+01 0.220E-01 RMM: 2 -0.317484175325E+03 -0.21051E-01 -0.15266E-01 4990 0.862E-01 0.103E+00 RMM: 3 -0.317475974810E+03 0.82005E-02 -0.15074E-02 5746 0.248E-01 0.229E-01 RMM: 4 -0.317475513856E+03 0.46095E-03 -0.10601E-03 4806 0.707E-02 0.108E-01 RMM: 5 -0.317475455887E+03 0.57969E-04 -0.15999E-04 3893 0.318E-02 0.957E-02 RMM: 6 -0.317475395489E+03 0.60399E-04 -0.45275E-05 3119 0.197E-02 0.424E-02 RMM: 7 -0.317475401623E+03 -0.61342E-05 -0.29058E-05 2622 0.158E-02 195 T= 6233. E= 0.67456057E+03 F= 0.63879359E+03 E0= 0.66789023E+03 EK= 0.50755E+02 SP= -.15E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316957657741E+03 0.51774E+00 -0.16322E-01 8608 0.235E+01 0.235E-01 RMM: 2 -0.316980463509E+03 -0.22806E-01 -0.14893E-01 5068 0.848E-01 0.118E+00 RMM: 3 -0.316970025986E+03 0.10438E-01 -0.14862E-02 5787 0.249E-01 0.219E-01 RMM: 4 -0.316969580182E+03 0.44580E-03 -0.10247E-03 4861 0.669E-02 0.102E-01 RMM: 5 -0.316969534858E+03 0.45323E-04 -0.14441E-04 3847 0.305E-02 0.889E-02 RMM: 6 -0.316969486364E+03 0.48495E-04 -0.39134E-05 3021 0.187E-02 0.472E-02 RMM: 7 -0.316969494504E+03 -0.81406E-05 -0.29654E-05 2619 0.163E-02 196 T= 6199. E= 0.67456130E+03 F= 0.63929949E+03 E0= 0.66838814E+03 EK= 0.50484E+02 SP= -.15E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316650571177E+03 0.31892E+00 -0.16456E-01 8808 0.235E+01 0.220E-01 RMM: 2 -0.316671771168E+03 -0.21200E-01 -0.14673E-01 5133 0.834E-01 0.108E+00 RMM: 3 -0.316662696970E+03 0.90742E-02 -0.13893E-02 5736 0.239E-01 0.222E-01 RMM: 4 -0.316662265473E+03 0.43150E-03 -0.99728E-04 4769 0.681E-02 0.100E-01 RMM: 5 -0.316662217016E+03 0.48458E-04 -0.14582E-04 3846 0.302E-02 0.903E-02 RMM: 6 -0.316662168119E+03 0.48897E-04 -0.37532E-05 3006 0.183E-02 0.456E-02 RMM: 7 -0.316662170419E+03 -0.22999E-05 -0.21922E-05 2563 0.142E-02 197 T= 6192. E= 0.67456137E+03 F= 0.63960682E+03 E0= 0.66868604E+03 EK= 0.50422E+02 SP= -.16E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316555273451E+03 0.10689E+00 -0.16454E-01 8728 0.236E+01 0.250E-01 RMM: 2 -0.316578085151E+03 -0.22812E-01 -0.14734E-01 5111 0.851E-01 0.121E+00 RMM: 3 -0.316567380286E+03 0.10705E-01 -0.15151E-02 5693 0.257E-01 0.224E-01 RMM: 4 -0.316566951261E+03 0.42902E-03 -0.11746E-03 4912 0.687E-02 0.105E-01 RMM: 5 -0.316566902648E+03 0.48614E-04 -0.14735E-04 3854 0.307E-02 0.960E-02 RMM: 6 -0.316566844769E+03 0.57879E-04 -0.40032E-05 3023 0.189E-02 0.502E-02 RMM: 7 -0.316566850798E+03 -0.60286E-05 -0.39721E-05 2886 0.186E-02 198 T= 6211. E= 0.67456083E+03 F= 0.63970214E+03 E0= 0.66877188E+03 EK= 0.50582E+02 SP= -.16E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316675052329E+03 -0.10821E+00 -0.15353E-01 8728 0.237E+01 0.221E-01 RMM: 2 -0.316694875011E+03 -0.19823E-01 -0.13002E-01 5239 0.794E-01 0.110E+00 RMM: 3 -0.316685802360E+03 0.90727E-02 -0.12265E-02 5670 0.228E-01 0.219E-01 RMM: 4 -0.316685420079E+03 0.38228E-03 -0.96635E-04 4763 0.657E-02 0.100E-01 RMM: 5 -0.316685370949E+03 0.49130E-04 -0.13516E-04 3855 0.284E-02 0.902E-02 RMM: 6 -0.316685323646E+03 0.47303E-04 -0.34973E-05 2956 0.178E-02 0.480E-02 RMM: 7 -0.316685330289E+03 -0.66431E-05 -0.26514E-05 2600 0.154E-02 199 T= 6259. E= 0.67455903E+03 F= 0.63958366E+03 E0= 0.66864476E+03 EK= 0.50967E+02 SP= -.16E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316988770538E+03 -0.30345E+00 -0.14766E-01 8304 0.238E+01 0.223E-01 RMM: 2 -0.317008747733E+03 -0.19977E-01 -0.14096E-01 5045 0.849E-01 0.105E+00 RMM: 3 -0.317000762766E+03 0.79850E-02 -0.15064E-02 5737 0.245E-01 0.226E-01 RMM: 4 -0.317000279799E+03 0.48297E-03 -0.10254E-03 4880 0.669E-02 0.955E-02 RMM: 5 -0.317000238009E+03 0.41790E-04 -0.13889E-04 3909 0.288E-02 0.883E-02 RMM: 6 -0.317000193544E+03 0.44465E-04 -0.30997E-05 2797 0.170E-02 0.511E-02 RMM: 7 -0.317000200074E+03 -0.65298E-05 -0.31366E-05 2649 0.165E-02 200 T= 6331. E= 0.67455523E+03 F= 0.63926879E+03 E0= 0.66832401E+03 EK= 0.51558E+02 SP= -.16E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317456030577E+03 -0.45584E+00 -0.13381E-01 8032 0.240E+01 0.200E-01 RMM: 2 -0.317474450532E+03 -0.18420E-01 -0.12437E-01 5051 0.799E-01 0.104E+00 RMM: 3 -0.317466755592E+03 0.76949E-02 -0.13488E-02 5717 0.229E-01 0.199E-01 RMM: 4 -0.317466362054E+03 0.39354E-03 -0.88761E-04 4815 0.635E-02 0.888E-02 RMM: 5 -0.317466317543E+03 0.44510E-04 -0.11780E-04 3962 0.263E-02 0.776E-02 RMM: 6 -0.317466287537E+03 0.30006E-04 -0.26479E-05 2625 0.156E-02 0.492E-02 RMM: 7 -0.317466292667E+03 -0.51298E-05 -0.22638E-05 2582 0.144E-02 201 T= 6423. E= 0.67454906E+03 F= 0.63880270E+03 E0= 0.66785617E+03 EK= 0.52308E+02 SP= -.17E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317995907802E+03 -0.52962E+00 -0.12856E-01 8088 0.242E+01 0.200E-01 RMM: 2 -0.318012793776E+03 -0.16886E-01 -0.12216E-01 5040 0.795E-01 0.962E-01 RMM: 3 -0.318006256932E+03 0.65368E-02 -0.13160E-02 5713 0.228E-01 0.188E-01 RMM: 4 -0.318005905472E+03 0.35146E-03 -0.88582E-04 5009 0.611E-02 0.916E-02 RMM: 5 -0.318005860516E+03 0.44956E-04 -0.11021E-04 3799 0.272E-02 0.799E-02 RMM: 6 -0.318005828020E+03 0.32496E-04 -0.26249E-05 2614 0.156E-02 0.507E-02 RMM: 7 -0.318005828703E+03 -0.68327E-06 -0.26836E-05 2622 0.154E-02 202 T= 6525. E= 0.67454182E+03 F= 0.63826316E+03 E0= 0.66731982E+03 EK= 0.53137E+02 SP= -.17E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318507696289E+03 -0.50187E+00 -0.13297E-01 8304 0.244E+01 0.176E-01 RMM: 2 -0.318523962000E+03 -0.16266E-01 -0.12396E-01 4942 0.817E-01 0.871E-01 RMM: 3 -0.318518432288E+03 0.55297E-02 -0.13503E-02 5807 0.224E-01 0.176E-01 RMM: 4 -0.318518084455E+03 0.34783E-03 -0.76225E-04 4815 0.607E-02 0.922E-02 RMM: 5 -0.318518032655E+03 0.51800E-04 -0.10845E-04 3815 0.272E-02 0.713E-02 RMM: 6 -0.318518010851E+03 0.21805E-04 -0.25772E-05 2579 0.152E-02 0.508E-02 RMM: 7 -0.318518009483E+03 0.13678E-05 -0.22423E-05 2549 0.147E-02 203 T= 6624. E= 0.67453456E+03 F= 0.63775098E+03 E0= 0.66681550E+03 EK= 0.53943E+02 SP= -.17E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318889756059E+03 -0.37175E+00 -0.13249E-01 8432 0.247E+01 0.179E-01 RMM: 2 -0.318903949082E+03 -0.14193E-01 -0.10724E-01 5209 0.745E-01 0.852E-01 RMM: 3 -0.318898747525E+03 0.52016E-02 -0.10338E-02 5790 0.202E-01 0.176E-01 RMM: 4 -0.318898461215E+03 0.28631E-03 -0.66220E-04 4729 0.566E-02 0.994E-02 RMM: 5 -0.318898407242E+03 0.53973E-04 -0.99334E-05 3705 0.264E-02 0.755E-02 RMM: 6 -0.318898383403E+03 0.23839E-04 -0.25011E-05 2593 0.152E-02 0.535E-02 RMM: 7 -0.318898383789E+03 -0.38627E-06 -0.24253E-05 2592 0.146E-02 204 T= 6707. E= 0.67452884E+03 F= 0.63737061E+03 E0= 0.66644608E+03 EK= 0.54617E+02 SP= -.18E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319058612694E+03 -0.16023E+00 -0.13914E-01 8648 0.248E+01 0.194E-01 RMM: 2 -0.319075413512E+03 -0.16801E-01 -0.12601E-01 5110 0.809E-01 0.921E-01 RMM: 3 -0.319069367640E+03 0.60459E-02 -0.13142E-02 5834 0.223E-01 0.200E-01 RMM: 4 -0.319068974238E+03 0.39340E-03 -0.81096E-04 4780 0.620E-02 0.942E-02 RMM: 5 -0.319068923246E+03 0.50992E-04 -0.11517E-04 3819 0.277E-02 0.734E-02 RMM: 6 -0.319068903199E+03 0.20047E-04 -0.25684E-05 2573 0.150E-02 0.549E-02 RMM: 7 -0.319068904980E+03 -0.17809E-05 -0.22515E-05 2573 0.142E-02 205 T= 6764. E= 0.67452634E+03 F= 0.63720008E+03 E0= 0.66628771E+03 EK= 0.55080E+02 SP= -.18E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318990812689E+03 0.78091E-01 -0.13971E-01 8832 0.249E+01 0.180E-01 RMM: 2 -0.319006183965E+03 -0.15371E-01 -0.12094E-01 5340 0.753E-01 0.836E-01 RMM: 3 -0.319000713199E+03 0.54708E-02 -0.10064E-02 5968 0.196E-01 0.172E-01 RMM: 4 -0.319000442446E+03 0.27075E-03 -0.62464E-04 4708 0.543E-02 0.106E-01 RMM: 5 -0.319000375564E+03 0.66882E-04 -0.90938E-05 3657 0.252E-02 0.749E-02 RMM: 6 -0.319000354663E+03 0.20901E-04 -0.24489E-05 2584 0.151E-02 0.569E-02 RMM: 7 -0.319000352442E+03 0.22210E-05 -0.32488E-05 2665 0.156E-02 206 T= 6791. E= 0.67452761E+03 F= 0.63726864E+03 E0= 0.66636596E+03 EK= 0.55299E+02 SP= -.18E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318707240741E+03 0.29311E+00 -0.14939E-01 8592 0.248E+01 0.202E-01 RMM: 2 -0.318727694079E+03 -0.20453E-01 -0.15162E-01 5076 0.859E-01 0.996E-01 RMM: 3 -0.318719971561E+03 0.77225E-02 -0.14462E-02 5933 0.234E-01 0.202E-01 RMM: 4 -0.318719536638E+03 0.43492E-03 -0.86645E-04 4768 0.647E-02 0.971E-02 RMM: 5 -0.318719483565E+03 0.53073E-04 -0.11687E-04 3822 0.281E-02 0.733E-02 RMM: 6 -0.318719460812E+03 0.22753E-04 -0.26235E-05 2587 0.153E-02 0.534E-02 RMM: 7 -0.318719465757E+03 -0.49455E-05 -0.24706E-05 2625 0.143E-02 207 T= 6791. E= 0.67453265E+03 F= 0.63754952E+03 E0= 0.66665085E+03 EK= 0.55298E+02 SP= -.18E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318295852039E+03 0.42361E+00 -0.14371E-01 8864 0.247E+01 0.175E-01 RMM: 2 -0.318310675428E+03 -0.14823E-01 -0.12181E-01 5511 0.727E-01 0.762E-01 RMM: 3 -0.318305453767E+03 0.52217E-02 -0.83366E-03 5893 0.190E-01 0.150E-01 RMM: 4 -0.318305304035E+03 0.14973E-03 -0.59226E-04 4731 0.511E-02 0.110E-01 RMM: 5 -0.318305225658E+03 0.78377E-04 -0.78263E-05 3535 0.233E-02 0.710E-02 RMM: 6 -0.318305203349E+03 0.22309E-04 -0.23753E-05 2583 0.151E-02 0.488E-02 RMM: 7 -0.318305203049E+03 0.29978E-06 -0.32580E-05 2659 0.154E-02 208 T= 6773. E= 0.67453974E+03 F= 0.63796379E+03 E0= 0.66706066E+03 EK= 0.55155E+02 SP= -.19E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317860044939E+03 0.44516E+00 -0.14401E-01 8720 0.245E+01 0.192E-01 RMM: 2 -0.317877937604E+03 -0.17893E-01 -0.13386E-01 5206 0.790E-01 0.932E-01 RMM: 3 -0.317871033224E+03 0.69044E-02 -0.11502E-02 5867 0.218E-01 0.195E-01 RMM: 4 -0.317870696208E+03 0.33702E-03 -0.79040E-04 4725 0.621E-02 0.101E-01 RMM: 5 -0.317870635848E+03 0.60360E-04 -0.10895E-04 3714 0.275E-02 0.734E-02 RMM: 6 -0.317870607930E+03 0.27918E-04 -0.25840E-05 2638 0.155E-02 0.493E-02 RMM: 7 -0.317870609803E+03 -0.18723E-05 -0.21842E-05 2573 0.137E-02 209 T= 6751. E= 0.67454752E+03 F= 0.63839838E+03 E0= 0.66748112E+03 EK= 0.54979E+02 SP= -.19E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317531786111E+03 0.33882E+00 -0.13847E-01 8456 0.244E+01 0.189E-01 RMM: 2 -0.317547337402E+03 -0.15551E-01 -0.12024E-01 5482 0.738E-01 0.845E-01 RMM: 3 -0.317541378597E+03 0.59588E-02 -0.90561E-03 5736 0.199E-01 0.157E-01 RMM: 4 -0.317541205790E+03 0.17281E-03 -0.66357E-04 4824 0.541E-02 0.111E-01 RMM: 5 -0.317541128007E+03 0.77783E-04 -0.88996E-05 3616 0.247E-02 0.713E-02 RMM: 6 -0.317541102148E+03 0.25859E-04 -0.24267E-05 2586 0.152E-02 0.451E-02 RMM: 7 -0.317541103700E+03 -0.15525E-05 -0.24312E-05 2620 0.137E-02 210 T= 6741. E= 0.67455508E+03 F= 0.63872789E+03 E0= 0.66778678E+03 EK= 0.54898E+02 SP= -.19E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317423844518E+03 0.11726E+00 -0.13617E-01 8360 0.243E+01 0.202E-01 RMM: 2 -0.317440892056E+03 -0.17048E-01 -0.12407E-01 5289 0.772E-01 0.947E-01 RMM: 3 -0.317433898032E+03 0.69940E-02 -0.10663E-02 5758 0.214E-01 0.221E-01 RMM: 4 -0.317433495420E+03 0.40261E-03 -0.82408E-04 4735 0.632E-02 0.100E-01 RMM: 5 -0.317433444882E+03 0.50538E-04 -0.12015E-04 3791 0.285E-02 0.805E-02 RMM: 6 -0.317433407245E+03 0.37638E-04 -0.28655E-05 2756 0.165E-02 0.496E-02 RMM: 7 -0.317433409317E+03 -0.20724E-05 -0.24382E-05 2597 0.140E-02 211 T= 6757. E= 0.67456090E+03 F= 0.63883558E+03 E0= 0.66786184E+03 EK= 0.55028E+02 SP= -.19E+02 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317624063568E+03 -0.19066E+00 -0.13251E-01 8112 0.243E+01 0.202E-01 RMM: 2 -0.317641131193E+03 -0.17068E-01 -0.12471E-01 5169 0.790E-01 0.943E-01 RMM: 3 -0.317634357460E+03 0.67737E-02 -0.12239E-02 5810 0.221E-01 0.173E-01 RMM: 4 -0.317634078847E+03 0.27861E-03 -0.77429E-04 4832 0.598E-02 0.110E-01 RMM: 5 -0.317634009722E+03 0.69126E-04 -0.10798E-04 3730 0.272E-02 0.761E-02 RMM: 6 -0.317633978244E+03 0.31478E-04 -0.28938E-05 2731 0.166E-02 0.415E-02 RMM: 7 -0.317633982540E+03 -0.42959E-05 -0.21905E-05 2570 0.136E-02 212 T= 6810. E= 0.67456314E+03 F= 0.63863501E+03 E0= 0.66762271E+03 EK= 0.55453E+02 SP= -.20E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318172122092E+03 -0.53814E+00 -0.12480E-01 7840 0.243E+01 0.203E-01 RMM: 2 -0.318188089055E+03 -0.15967E-01 -0.10974E-01 5170 0.756E-01 0.975E-01 RMM: 3 -0.318181018176E+03 0.70709E-02 -0.10531E-02 5755 0.212E-01 0.206E-01 RMM: 4 -0.318180667956E+03 0.35022E-03 -0.78775E-04 4711 0.622E-02 0.108E-01 RMM: 5 -0.318180612313E+03 0.55642E-04 -0.12481E-04 3791 0.294E-02 0.836E-02 RMM: 6 -0.318180569236E+03 0.43078E-04 -0.32517E-05 2886 0.175E-02 0.443E-02 RMM: 7 -0.318180570782E+03 -0.15467E-05 -0.21544E-05 2544 0.135E-02 213 T= 6903. E= 0.67456161E+03 F= 0.63808842E+03 E0= 0.66703452E+03 EK= 0.56211E+02 SP= -.20E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319048572694E+03 -0.86800E+00 -0.12266E-01 7912 0.245E+01 0.206E-01 RMM: 2 -0.319064116996E+03 -0.15544E-01 -0.10717E-01 5091 0.770E-01 0.976E-01 RMM: 3 -0.319057417347E+03 0.66996E-02 -0.11299E-02 5754 0.217E-01 0.188E-01 RMM: 4 -0.319057101956E+03 0.31539E-03 -0.76073E-04 4770 0.599E-02 0.951E-02 RMM: 5 -0.319057058126E+03 0.43830E-04 -0.11437E-04 3735 0.282E-02 0.796E-02 RMM: 6 -0.319057022013E+03 0.36114E-04 -0.31930E-05 2856 0.173E-02 0.385E-02 RMM: 7 -0.319057024375E+03 -0.23623E-05 -0.19067E-05 2523 0.131E-02 214 T= 7034. E= 0.67455655E+03 F= 0.63721196E+03 E0= 0.66611702E+03 EK= 0.57281E+02 SP= -.20E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320187413589E+03 -0.11304E+01 -0.11878E-01 7832 0.248E+01 0.199E-01 RMM: 2 -0.320201643130E+03 -0.14230E-01 -0.96762E-02 5167 0.741E-01 0.953E-01 RMM: 3 -0.320195265255E+03 0.63779E-02 -0.94802E-03 5743 0.200E-01 0.190E-01 RMM: 4 -0.320194977143E+03 0.28811E-03 -0.70414E-04 4658 0.602E-02 0.115E-01 RMM: 5 -0.320194907374E+03 0.69769E-04 -0.12573E-04 3785 0.301E-02 0.806E-02 RMM: 6 -0.320194867687E+03 0.39688E-04 -0.33255E-05 2904 0.178E-02 0.406E-02 RMM: 7 -0.320194866857E+03 0.83017E-06 -0.20102E-05 2520 0.132E-02 215 T= 7195. E= 0.67454865E+03 F= 0.63607412E+03 E0= 0.66494101E+03 EK= 0.58592E+02 SP= -.20E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321478491487E+03 -0.12836E+01 -0.12232E-01 7832 0.252E+01 0.199E-01 RMM: 2 -0.321492375756E+03 -0.13884E-01 -0.10435E-01 5088 0.782E-01 0.880E-01 RMM: 3 -0.321487157710E+03 0.52180E-02 -0.11179E-02 5832 0.212E-01 0.176E-01 RMM: 4 -0.321486858916E+03 0.29879E-03 -0.68574E-04 4727 0.588E-02 0.110E-01 RMM: 5 -0.321486787337E+03 0.71579E-04 -0.11463E-04 3775 0.292E-02 0.766E-02 RMM: 6 -0.321486756166E+03 0.31171E-04 -0.30491E-05 2777 0.168E-02 0.444E-02 RMM: 7 -0.321486748891E+03 0.72749E-05 -0.25109E-05 2540 0.150E-02 216 T= 7372. E= 0.67453921E+03 F= 0.63478224E+03 E0= 0.66361662E+03 EK= 0.60030E+02 SP= -.20E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322800262105E+03 -0.13135E+01 -0.12954E-01 7752 0.255E+01 0.183E-01 RMM: 2 -0.322814314092E+03 -0.14052E-01 -0.11566E-01 5070 0.812E-01 0.786E-01 RMM: 3 -0.322810083819E+03 0.42303E-02 -0.12338E-02 5987 0.209E-01 0.169E-01 RMM: 4 -0.322809755060E+03 0.32876E-03 -0.66496E-04 4691 0.616E-02 0.127E-01 RMM: 5 -0.322809652730E+03 0.10233E-03 -0.12346E-04 3771 0.309E-02 0.737E-02 RMM: 6 -0.322809627070E+03 0.25660E-04 -0.27967E-05 2667 0.161E-02 0.496E-02 RMM: 7 -0.322809619948E+03 0.71222E-05 -0.23722E-05 2539 0.145E-02 217 T= 7548. E= 0.67452967E+03 F= 0.63345937E+03 E0= 0.66226711E+03 EK= 0.61464E+02 SP= -.20E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324036835376E+03 -0.12272E+01 -0.13434E-01 8024 0.259E+01 0.179E-01 RMM: 2 -0.324050824019E+03 -0.13989E-01 -0.12346E-01 5060 0.833E-01 0.704E-01 RMM: 3 -0.324047402708E+03 0.34213E-02 -0.13188E-02 6018 0.213E-01 0.150E-01 RMM: 4 -0.324047103911E+03 0.29880E-03 -0.63095E-04 4781 0.590E-02 0.132E-01 RMM: 5 -0.324046990730E+03 0.11318E-03 -0.11437E-04 3801 0.302E-02 0.706E-02 RMM: 6 -0.324046970466E+03 0.20264E-04 -0.27576E-05 2610 0.157E-02 0.542E-02 RMM: 7 -0.324046952100E+03 0.18365E-04 -0.33062E-05 2627 0.170E-02 218 T= 7708. E= 0.67452198E+03 F= 0.63222204E+03 E0= 0.66100894E+03 EK= 0.62770E+02 SP= -.20E+02 SK= 0.36E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325094275272E+03 -0.10473E+01 -0.14098E-01 8032 0.261E+01 0.173E-01 RMM: 2 -0.325108932429E+03 -0.14657E-01 -0.13315E-01 4988 0.859E-01 0.663E-01 RMM: 3 -0.325105865669E+03 0.30668E-02 -0.14704E-02 6143 0.220E-01 0.148E-01 RMM: 4 -0.325105528154E+03 0.33752E-03 -0.65622E-04 4694 0.628E-02 0.133E-01 RMM: 5 -0.325105407339E+03 0.12081E-03 -0.12162E-04 3793 0.309E-02 0.671E-02 RMM: 6 -0.325105391255E+03 0.16084E-04 -0.26164E-05 2598 0.151E-02 219 T= 7840. E= 0.67451690E+03 F= 0.63116360E+03 E0= 0.65993274E+03 EK= 0.63846E+02 SP= -.20E+02 SK= 0.84E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.325909205463E+03 -0.80380E+00 -0.15164E-01 7856 0.263E+01 0.213E-01 RMM: 2 -0.325934044628E+03 -0.24839E-01 -0.16948E-01 4869 0.955E-01 0.118E+00 RMM: 3 -0.325924142668E+03 0.99020E-02 -0.19561E-02 5745 0.271E-01 0.213E-01 RMM: 4 -0.325923630363E+03 0.51230E-03 -0.10893E-03 4935 0.720E-02 0.988E-02 RMM: 5 -0.325923560081E+03 0.70283E-04 -0.14459E-04 4129 0.312E-02 0.696E-02 RMM: 6 -0.325923544539E+03 0.15541E-04 -0.28861E-05 2585 0.154E-02 220 T= 7936. E= 0.67451485E+03 F= 0.63034544E+03 E0= 0.65909767E+03 EK= 0.64623E+02 SP= -.20E+02 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326464494037E+03 -0.54093E+00 -0.14240E-01 7880 0.263E+01 0.290E-01 RMM: 2 -0.326495976172E+03 -0.31482E-01 -0.13683E-01 5028 0.877E-01 0.171E+00 RMM: 3 -0.326475792580E+03 0.20184E-01 -0.17370E-02 5442 0.298E-01 0.262E-01 RMM: 4 -0.326475285705E+03 0.50687E-03 -0.16467E-03 4905 0.839E-02 0.105E-01 RMM: 5 -0.326475226969E+03 0.58737E-04 -0.18915E-04 4028 0.324E-02 0.936E-02 RMM: 6 -0.326475177811E+03 0.49157E-04 -0.35987E-05 2836 0.182E-02 0.548E-02 RMM: 7 -0.326475180997E+03 -0.31853E-05 -0.31166E-05 2658 0.168E-02 221 T= 7990. E= 0.67451511E+03 F= 0.62979381E+03 E0= 0.65852684E+03 EK= 0.65068E+02 SP= -.20E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326752107470E+03 -0.27693E+00 -0.15227E-01 7704 0.263E+01 0.275E-01 RMM: 2 -0.326779597083E+03 -0.27490E-01 -0.17001E-01 4909 0.963E-01 0.136E+00 RMM: 3 -0.326766500567E+03 0.13097E-01 -0.19598E-02 5555 0.294E-01 0.288E-01 RMM: 4 -0.326765866755E+03 0.63381E-03 -0.17075E-03 5051 0.898E-02 0.129E-01 RMM: 5 -0.326765834273E+03 0.32482E-04 -0.24911E-04 3903 0.374E-02 0.121E-01 RMM: 6 -0.326765735184E+03 0.99090E-04 -0.64820E-05 3398 0.230E-02 0.400E-02 RMM: 7 -0.326765734439E+03 0.74503E-06 -0.20671E-05 2526 0.135E-02 222 T= 8004. E= 0.67451708E+03 F= 0.62950325E+03 E0= 0.65821367E+03 EK= 0.65183E+02 SP= -.20E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326811307319E+03 -0.45572E-01 -0.14756E-01 7832 0.262E+01 0.207E-01 RMM: 2 -0.326830139052E+03 -0.18832E-01 -0.14684E-01 5038 0.880E-01 0.913E-01 RMM: 3 -0.326823887328E+03 0.62517E-02 -0.15569E-02 5828 0.245E-01 0.207E-01 RMM: 4 -0.326823457227E+03 0.43010E-03 -0.91641E-04 4786 0.678E-02 0.113E-01 RMM: 5 -0.326823386234E+03 0.70993E-04 -0.15000E-04 3900 0.321E-02 0.873E-02 RMM: 6 -0.326823340106E+03 0.46128E-04 -0.39331E-05 2974 0.190E-02 0.447E-02 RMM: 7 -0.326823337424E+03 0.26823E-05 -0.21493E-05 2528 0.141E-02 223 T= 7982. E= 0.67452072E+03 F= 0.62944565E+03 E0= 0.65812727E+03 EK= 0.64997E+02 SP= -.20E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326678137404E+03 0.14520E+00 -0.14941E-01 7984 0.261E+01 0.224E-01 RMM: 2 -0.326701074781E+03 -0.22937E-01 -0.14845E-01 5007 0.890E-01 0.119E+00 RMM: 3 -0.326690769588E+03 0.10305E-01 -0.16003E-02 5714 0.257E-01 0.191E-01 RMM: 4 -0.326690412436E+03 0.35715E-03 -0.10092E-03 4781 0.701E-02 0.117E-01 RMM: 5 -0.326690336242E+03 0.76194E-04 -0.14632E-04 3886 0.320E-02 0.751E-02 RMM: 6 -0.326690303419E+03 0.32823E-04 -0.32107E-05 2769 0.170E-02 0.435E-02 RMM: 7 -0.326690302328E+03 0.10915E-05 -0.18477E-05 2517 0.134E-02 224 T= 7927. E= 0.67452478E+03 F= 0.62957869E+03 E0= 0.65822779E+03 EK= 0.64552E+02 SP= -.20E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326400841313E+03 0.28946E+00 -0.15146E-01 7968 0.260E+01 0.222E-01 RMM: 2 -0.326422969513E+03 -0.22128E-01 -0.17003E-01 4901 0.963E-01 0.101E+00 RMM: 3 -0.326415613341E+03 0.73562E-02 -0.18904E-02 5848 0.268E-01 0.222E-01 RMM: 4 -0.326415070079E+03 0.54326E-03 -0.10893E-03 4873 0.743E-02 0.110E-01 RMM: 5 -0.326415027151E+03 0.42928E-04 -0.17250E-04 3924 0.337E-02 0.966E-02 RMM: 6 -0.326414967899E+03 0.59252E-04 -0.46845E-05 3127 0.204E-02 0.419E-02 RMM: 7 -0.326414964132E+03 0.37666E-05 -0.15451E-05 2502 0.123E-02 225 T= 7847. E= 0.67452863E+03 F= 0.62985403E+03 E0= 0.65846699E+03 EK= 0.63901E+02 SP= -.19E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326030248074E+03 0.38472E+00 -0.15070E-01 7944 0.258E+01 0.211E-01 RMM: 2 -0.326053333237E+03 -0.23085E-01 -0.16261E-01 4944 0.931E-01 0.110E+00 RMM: 3 -0.326044370044E+03 0.89632E-02 -0.17619E-02 5809 0.261E-01 0.187E-01 RMM: 4 -0.326043969446E+03 0.40060E-03 -0.97376E-04 4792 0.694E-02 0.114E-01 RMM: 5 -0.326043898853E+03 0.70593E-04 -0.14719E-04 3938 0.324E-02 0.729E-02 RMM: 6 -0.326043868047E+03 0.30806E-04 -0.32389E-05 2755 0.171E-02 0.422E-02 RMM: 7 -0.326043869792E+03 -0.17451E-05 -0.19568E-05 2518 0.137E-02 226 T= 7748. E= 0.67453206E+03 F= 0.63022512E+03 E0= 0.65880072E+03 EK= 0.63096E+02 SP= -.19E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325600534388E+03 0.44333E+00 -0.15858E-01 7896 0.257E+01 0.208E-01 RMM: 2 -0.325621470390E+03 -0.20936E-01 -0.17266E-01 4907 0.969E-01 0.874E-01 RMM: 3 -0.325615509910E+03 0.59605E-02 -0.18804E-02 5838 0.265E-01 0.200E-01 RMM: 4 -0.325615019421E+03 0.49049E-03 -0.10137E-03 4957 0.703E-02 0.980E-02 RMM: 5 -0.325614996922E+03 0.22499E-04 -0.15433E-04 3955 0.328E-02 0.934E-02 RMM: 6 -0.325614942341E+03 0.54581E-04 -0.40916E-05 3015 0.194E-02 0.377E-02 RMM: 7 -0.325614941733E+03 0.60839E-06 -0.15273E-05 2499 0.123E-02 227 T= 7636. E= 0.67453442E+03 F= 0.63065405E+03 E0= 0.65919264E+03 EK= 0.62182E+02 SP= -.19E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325139182991E+03 0.47576E+00 -0.14475E-01 7936 0.256E+01 0.201E-01 RMM: 2 -0.325159845081E+03 -0.20662E-01 -0.14593E-01 4846 0.894E-01 0.105E+00 RMM: 3 -0.325151968013E+03 0.78771E-02 -0.16691E-02 5806 0.253E-01 0.173E-01 RMM: 4 -0.325151602643E+03 0.36537E-03 -0.88781E-04 4783 0.671E-02 0.108E-01 RMM: 5 -0.325151541987E+03 0.60656E-04 -0.13434E-04 3858 0.312E-02 0.726E-02 RMM: 6 -0.325151510802E+03 0.31185E-04 -0.30832E-05 2682 0.167E-02 0.389E-02 RMM: 7 -0.325151511001E+03 -0.19858E-06 -0.16588E-05 2503 0.129E-02 228 T= 7514. E= 0.67453614E+03 F= 0.63111748E+03 E0= 0.65962113E+03 EK= 0.61189E+02 SP= -.18E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324653576137E+03 0.49793E+00 -0.13984E-01 7728 0.254E+01 0.186E-01 RMM: 2 -0.324670374905E+03 -0.16799E-01 -0.13943E-01 4876 0.869E-01 0.774E-01 RMM: 3 -0.324665665212E+03 0.47097E-02 -0.15686E-02 5839 0.243E-01 0.183E-01 RMM: 4 -0.324665263809E+03 0.40140E-03 -0.79689E-04 4948 0.622E-02 0.825E-02 RMM: 5 -0.324665241498E+03 0.22310E-04 -0.11633E-04 3797 0.295E-02 0.829E-02 RMM: 6 -0.324665200147E+03 0.41351E-04 -0.32002E-05 2761 0.174E-02 0.379E-02 RMM: 7 -0.324665199861E+03 0.28608E-06 -0.15516E-05 2496 0.126E-02 229 T= 7385. E= 0.67453697E+03 F= 0.63160379E+03 E0= 0.66007520E+03 EK= 0.60137E+02 SP= -.18E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324145466473E+03 0.51973E+00 -0.13894E-01 7800 0.253E+01 0.185E-01 RMM: 2 -0.324163845551E+03 -0.18379E-01 -0.13906E-01 4826 0.866E-01 0.920E-01 RMM: 3 -0.324157621267E+03 0.62243E-02 -0.15883E-02 5844 0.242E-01 0.174E-01 RMM: 4 -0.324157248928E+03 0.37234E-03 -0.80713E-04 4795 0.638E-02 0.953E-02 RMM: 5 -0.324157207246E+03 0.41682E-04 -0.12418E-04 3806 0.300E-02 0.752E-02 RMM: 6 -0.324157172682E+03 0.34564E-04 -0.30901E-05 2731 0.168E-02 0.367E-02 RMM: 7 -0.324157173635E+03 -0.95299E-06 -0.16127E-05 2498 0.128E-02 230 T= 7249. E= 0.67453752E+03 F= 0.63211182E+03 E0= 0.66055494E+03 EK= 0.59035E+02 SP= -.17E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323613749631E+03 0.54342E+00 -0.12948E-01 7632 0.252E+01 0.183E-01 RMM: 2 -0.323627835299E+03 -0.14086E-01 -0.11201E-01 4921 0.788E-01 0.782E-01 RMM: 3 -0.323623339540E+03 0.44958E-02 -0.12623E-02 5816 0.221E-01 0.175E-01 RMM: 4 -0.323623009422E+03 0.33012E-03 -0.66985E-04 4826 0.577E-02 0.863E-02 RMM: 5 -0.323622978456E+03 0.30966E-04 -0.10355E-04 3667 0.280E-02 0.778E-02 RMM: 6 -0.323622942601E+03 0.35855E-04 -0.30395E-05 2735 0.171E-02 0.365E-02 RMM: 7 -0.323622942761E+03 -0.15996E-06 -0.14903E-05 2493 0.121E-02 231 T= 7108. E= 0.67453814E+03 F= 0.63264605E+03 E0= 0.66106445E+03 EK= 0.57886E+02 SP= -.17E+02 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323048578988E+03 0.57436E+00 -0.12567E-01 7696 0.251E+01 0.194E-01 RMM: 2 -0.323063486497E+03 -0.14908E-01 -0.10646E-01 4869 0.781E-01 0.916E-01 RMM: 3 -0.323057698919E+03 0.57876E-02 -0.12395E-02 5718 0.224E-01 0.183E-01 RMM: 4 -0.323057385607E+03 0.31331E-03 -0.73832E-04 4770 0.601E-02 0.895E-02 RMM: 5 -0.323057353153E+03 0.32453E-04 -0.11411E-04 3716 0.287E-02 0.797E-02 RMM: 6 -0.323057313784E+03 0.39369E-04 -0.31598E-05 2830 0.171E-02 0.351E-02 RMM: 7 -0.323057314262E+03 -0.47761E-06 -0.16059E-05 2494 0.127E-02 232 T= 6962. E= 0.67453931E+03 F= 0.63321168E+03 E0= 0.66160937E+03 EK= 0.56694E+02 SP= -.16E+02 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322451509037E+03 0.60580E+00 -0.12334E-01 7784 0.249E+01 0.181E-01 RMM: 2 -0.322465950950E+03 -0.14442E-01 -0.10961E-01 4831 0.794E-01 0.827E-01 RMM: 3 -0.322461084272E+03 0.48667E-02 -0.12940E-02 5778 0.222E-01 0.179E-01 RMM: 4 -0.322460746745E+03 0.33753E-03 -0.69901E-04 4781 0.601E-02 0.870E-02 RMM: 5 -0.322460710546E+03 0.36199E-04 -0.10848E-04 3681 0.286E-02 0.742E-02 RMM: 6 -0.322460677955E+03 0.32591E-04 -0.30485E-05 2733 0.170E-02 0.358E-02 RMM: 7 -0.322460677969E+03 -0.14114E-07 -0.15542E-05 2493 0.124E-02 233 T= 6811. E= 0.67454091E+03 F= 0.63380831E+03 E0= 0.66218834E+03 EK= 0.55465E+02 SP= -.15E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321831157351E+03 0.62952E+00 -0.12649E-01 7672 0.247E+01 0.201E-01 RMM: 2 -0.321847968910E+03 -0.16812E-01 -0.12159E-01 4753 0.848E-01 0.952E-01 RMM: 3 -0.321841699173E+03 0.62697E-02 -0.14730E-02 5756 0.240E-01 0.190E-01 RMM: 4 -0.321841320867E+03 0.37831E-03 -0.84683E-04 4872 0.639E-02 0.841E-02 RMM: 5 -0.321841298433E+03 0.22434E-04 -0.12547E-04 3795 0.297E-02 0.822E-02 RMM: 6 -0.321841256664E+03 0.41769E-04 -0.32778E-05 2853 0.173E-02 0.342E-02 RMM: 7 -0.321841256809E+03 -0.14446E-06 -0.14754E-05 2491 0.122E-02 234 T= 6658. E= 0.67454313E+03 F= 0.63442773E+03 E0= 0.66279294E+03 EK= 0.54216E+02 SP= -.15E+02 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321206984009E+03 0.63427E+00 -0.11625E-01 7640 0.245E+01 0.169E-01 RMM: 2 -0.321219090795E+03 -0.12107E-01 -0.95454E-02 4881 0.744E-01 0.743E-01 RMM: 3 -0.321215259630E+03 0.38312E-02 -0.11029E-02 5756 0.204E-01 0.160E-01 RMM: 4 -0.321214996773E+03 0.26286E-03 -0.59053E-04 4763 0.551E-02 0.898E-02 RMM: 5 -0.321214951197E+03 0.45576E-04 -0.91185E-05 3578 0.261E-02 0.680E-02 RMM: 6 -0.321214924536E+03 0.26661E-04 -0.26542E-05 2600 0.159E-02 0.340E-02 RMM: 7 -0.321214923728E+03 0.80825E-06 -0.16245E-05 2494 0.125E-02 235 T= 6505. E= 0.67454566E+03 F= 0.63505407E+03 E0= 0.66340542E+03 EK= 0.52969E+02 SP= -.14E+02 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320594959617E+03 0.61996E+00 -0.11827E-01 7592 0.242E+01 0.189E-01 RMM: 2 -0.320609865569E+03 -0.14906E-01 -0.11243E-01 4814 0.818E-01 0.868E-01 RMM: 3 -0.320604682909E+03 0.51827E-02 -0.13329E-02 5779 0.223E-01 0.169E-01 RMM: 4 -0.320604357555E+03 0.32535E-03 -0.73687E-04 4840 0.604E-02 0.855E-02 RMM: 5 -0.320604334699E+03 0.22856E-04 -0.11192E-04 3719 0.284E-02 0.809E-02 RMM: 6 -0.320604293747E+03 0.40952E-04 -0.31007E-05 2804 0.170E-02 0.315E-02 RMM: 7 -0.320604293884E+03 -0.13663E-06 -0.14266E-05 2485 0.118E-02 236 T= 6355. E= 0.67454873E+03 F= 0.63566470E+03 E0= 0.66400235E+03 EK= 0.51752E+02 SP= -.14E+02 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320031340670E+03 0.57295E+00 -0.10881E-01 7664 0.240E+01 0.162E-01 RMM: 2 -0.320043051535E+03 -0.11711E-01 -0.95825E-02 4868 0.750E-01 0.702E-01 RMM: 3 -0.320039726831E+03 0.33247E-02 -0.11205E-02 5840 0.198E-01 0.153E-01 RMM: 4 -0.320039454184E+03 0.27265E-03 -0.56189E-04 4728 0.548E-02 0.870E-02 RMM: 5 -0.320039406607E+03 0.47578E-04 -0.85281E-05 3573 0.251E-02 0.625E-02 RMM: 6 -0.320039385704E+03 0.20903E-04 -0.23739E-05 2553 0.149E-02 0.323E-02 RMM: 7 -0.320039384658E+03 0.10454E-05 -0.15091E-05 2490 0.117E-02 237 T= 6214. E= 0.67455206E+03 F= 0.63622960E+03 E0= 0.66455237E+03 EK= 0.50600E+02 SP= -.13E+02 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319547409466E+03 0.49198E+00 -0.10458E-01 7600 0.237E+01 0.171E-01 RMM: 2 -0.319559452909E+03 -0.12043E-01 -0.93667E-02 4891 0.744E-01 0.763E-01 RMM: 3 -0.319555458429E+03 0.39945E-02 -0.10763E-02 5804 0.197E-01 0.157E-01 RMM: 4 -0.319555189265E+03 0.26916E-03 -0.57672E-04 4722 0.550E-02 0.869E-02 RMM: 5 -0.319555159430E+03 0.29835E-04 -0.92413E-05 3581 0.262E-02 0.764E-02 RMM: 6 -0.319555123826E+03 0.35604E-04 -0.28138E-05 2685 0.164E-02 0.303E-02 RMM: 7 -0.319555123771E+03 0.55399E-07 -0.14460E-05 2488 0.116E-02 238 T= 6085. E= 0.67455540E+03 F= 0.63671387E+03 E0= 0.66502103E+03 EK= 0.49552E+02 SP= -.12E+02 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319181475912E+03 0.37365E+00 -0.10001E-01 7552 0.235E+01 0.166E-01 RMM: 2 -0.319192161510E+03 -0.10686E-01 -0.86390E-02 4906 0.716E-01 0.702E-01 RMM: 3 -0.319188792277E+03 0.33692E-02 -0.98067E-03 5783 0.190E-01 0.136E-01 RMM: 4 -0.319188583565E+03 0.20871E-03 -0.52808E-04 4732 0.526E-02 0.933E-02 RMM: 5 -0.319188530462E+03 0.53103E-04 -0.78792E-05 3533 0.245E-02 0.607E-02 RMM: 6 -0.319188510751E+03 0.19711E-04 -0.22158E-05 2545 0.143E-02 239 T= 5974. E= 0.67455880E+03 F= 0.63708048E+03 E0= 0.66537179E+03 EK= 0.48647E+02 SP= -.12E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318968597389E+03 0.21993E+00 -0.97805E-02 7328 0.233E+01 0.160E-01 RMM: 2 -0.318980096362E+03 -0.11499E-01 -0.86098E-02 4904 0.708E-01 0.765E-01 RMM: 3 -0.318976057860E+03 0.40385E-02 -0.98919E-03 5688 0.193E-01 0.153E-01 RMM: 4 -0.318975820091E+03 0.23777E-03 -0.53942E-04 4748 0.506E-02 0.691E-02 RMM: 5 -0.318975787062E+03 0.33030E-04 -0.68358E-05 3436 0.226E-02 0.591E-02 RMM: 6 -0.318975770628E+03 0.16434E-04 -0.21785E-05 2525 0.142E-02 240 T= 5885. E= 0.67456176E+03 F= 0.63729322E+03 E0= 0.66557062E+03 EK= 0.47923E+02 SP= -.11E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318944014342E+03 0.31773E-01 -0.93844E-02 7472 0.231E+01 0.235E-01 RMM: 2 -0.318961411569E+03 -0.17397E-01 -0.73387E-02 4984 0.682E-01 0.129E+00 RMM: 3 -0.318949847752E+03 0.11564E-01 -0.96047E-03 5363 0.227E-01 0.223E-01 RMM: 4 -0.318949484512E+03 0.36324E-03 -0.93916E-04 4647 0.633E-02 0.669E-02 RMM: 5 -0.318949466745E+03 0.17767E-04 -0.10988E-04 3920 0.257E-02 241 T= 5822. E= 0.67456507E+03 F= 0.63731952E+03 E0= 0.66558627E+03 EK= 0.47414E+02 SP= -.11E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319132272308E+03 -0.18279E+00 -0.93345E-02 7648 0.230E+01 0.172E-01 RMM: 2 -0.319144506115E+03 -0.12234E-01 -0.73089E-02 4979 0.655E-01 0.923E-01 RMM: 3 -0.319138576177E+03 0.59299E-02 -0.82694E-03 5451 0.192E-01 0.197E-01 RMM: 4 -0.319138290305E+03 0.28587E-03 -0.65733E-04 4614 0.559E-02 0.717E-02 RMM: 5 -0.319138266799E+03 0.23505E-04 -0.80818E-05 3679 0.235E-02 0.656E-02 RMM: 6 -0.319138243379E+03 0.23420E-04 -0.19900E-05 2531 0.133E-02 0.446E-02 RMM: 7 -0.319138248327E+03 -0.49483E-05 -0.30996E-05 2674 0.170E-02 242 T= 5789. E= 0.67456691E+03 F= 0.63713074E+03 E0= 0.66539224E+03 EK= 0.47145E+02 SP= -.10E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319554886699E+03 -0.41664E+00 -0.92670E-02 7384 0.229E+01 0.193E-01 RMM: 2 -0.319563831629E+03 -0.89449E-02 -0.73831E-02 4859 0.673E-01 0.676E-01 RMM: 3 -0.319560732545E+03 0.30991E-02 -0.88191E-03 5628 0.189E-01 0.104E-01 RMM: 4 -0.319560814296E+03 -0.81750E-04 -0.62233E-04 4645 0.554E-02 0.186E-01 RMM: 5 -0.319560599132E+03 0.21516E-03 -0.12622E-04 3761 0.301E-02 0.669E-02 RMM: 6 -0.319560569737E+03 0.29395E-04 -0.29201E-05 2808 0.167E-02 0.207E-02 RMM: 7 -0.319560577058E+03 -0.73208E-05 -0.13381E-05 2484 0.118E-02 243 T= 5788. E= 0.67456720E+03 F= 0.63670841E+03 E0= 0.66497113E+03 EK= 0.47134E+02 SP= -.97E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320215105886E+03 -0.65454E+00 -0.92972E-02 7552 0.229E+01 0.145E-01 RMM: 2 -0.320225597597E+03 -0.10492E-01 -0.84969E-02 4874 0.700E-01 0.668E-01 RMM: 3 -0.320222533399E+03 0.30642E-02 -0.99770E-03 5861 0.183E-01 0.108E-01 RMM: 4 -0.320222342336E+03 0.19106E-03 -0.43832E-04 4635 0.487E-02 0.915E-02 RMM: 5 -0.320222280235E+03 0.62101E-04 -0.67465E-05 3419 0.244E-02 0.526E-02 RMM: 6 -0.320222265972E+03 0.14263E-04 -0.22622E-05 2527 0.139E-02 244 T= 5819. E= 0.67456660E+03 F= 0.63604672E+03 E0= 0.66431749E+03 EK= 0.47385E+02 SP= -.93E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321105592021E+03 -0.88331E+00 -0.10302E-01 7392 0.230E+01 0.182E-01 RMM: 2 -0.321122530919E+03 -0.16939E-01 -0.11706E-01 4690 0.821E-01 0.952E-01 RMM: 3 -0.321115917596E+03 0.66133E-02 -0.14100E-02 5687 0.227E-01 0.186E-01 RMM: 4 -0.321115530143E+03 0.38745E-03 -0.81304E-04 4866 0.614E-02 0.660E-02 RMM: 5 -0.321115510154E+03 0.19989E-04 -0.11053E-04 3958 0.276E-02 245 T= 5880. E= 0.67456577E+03 F= 0.63515348E+03 E0= 0.66344037E+03 EK= 0.47887E+02 SP= -.88E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322214670855E+03 -0.10991E+01 -0.98037E-02 7528 0.231E+01 0.184E-01 RMM: 2 -0.322229054833E+03 -0.14384E-01 -0.90916E-02 4845 0.731E-01 0.978E-01 RMM: 3 -0.322222627553E+03 0.64273E-02 -0.10819E-02 5555 0.209E-01 0.215E-01 RMM: 4 -0.322222235846E+03 0.39171E-03 -0.78816E-04 4677 0.625E-02 0.747E-02 RMM: 5 -0.322222204376E+03 0.31470E-04 -0.10237E-04 4084 0.243E-02 0.694E-02 RMM: 6 -0.322222181964E+03 0.22412E-04 -0.21899E-05 2539 0.143E-02 0.484E-02 RMM: 7 -0.322222185341E+03 -0.33766E-05 -0.51972E-05 3185 0.207E-02 246 T= 5970. E= 0.67456399E+03 F= 0.63404680E+03 E0= 0.66235807E+03 EK= 0.48619E+02 SP= -.84E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323502914799E+03 -0.12807E+01 -0.11518E-01 7464 0.233E+01 0.229E-01 RMM: 2 -0.323521351132E+03 -0.18436E-01 -0.14197E-01 4663 0.917E-01 0.936E-01 RMM: 3 -0.323515084448E+03 0.62667E-02 -0.16698E-02 5865 0.237E-01 0.206E-01 RMM: 4 -0.323514677827E+03 0.40662E-03 -0.10957E-03 4859 0.777E-02 0.148E-01 RMM: 5 -0.323514590993E+03 0.86834E-04 -0.19160E-04 3858 0.343E-02 0.101E-01 RMM: 6 -0.323514527095E+03 0.63898E-04 -0.54621E-05 3260 0.218E-02 0.309E-02 RMM: 7 -0.323514537298E+03 -0.10203E-04 -0.20804E-05 2526 0.141E-02 247 T= 6084. E= 0.67456095E+03 F= 0.63275445E+03 E0= 0.66109821E+03 EK= 0.49547E+02 SP= -.80E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324948315696E+03 -0.14338E+01 -0.99861E-02 7600 0.235E+01 0.172E-01 RMM: 2 -0.324961503109E+03 -0.13187E-01 -0.91876E-02 4871 0.732E-01 0.876E-01 RMM: 3 -0.324956282214E+03 0.52209E-02 -0.10601E-02 5709 0.196E-01 0.149E-01 RMM: 4 -0.324956038263E+03 0.24395E-03 -0.60172E-04 4632 0.559E-02 0.897E-02 RMM: 5 -0.324955979398E+03 0.58864E-04 -0.91598E-05 3692 0.259E-02 0.619E-02 RMM: 6 -0.324955956106E+03 0.23292E-04 -0.23884E-05 2547 0.144E-02 0.387E-02 RMM: 7 -0.324955950135E+03 0.59708E-05 -0.19865E-05 2497 0.136E-02 248 T= 6217. E= 0.67455695E+03 F= 0.63131304E+03 E0= 0.65969462E+03 EK= 0.50631E+02 SP= -.77E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326493804625E+03 -0.15378E+01 -0.10338E-01 7504 0.237E+01 0.149E-01 RMM: 2 -0.326503510275E+03 -0.97057E-02 -0.75673E-02 4897 0.673E-01 0.687E-01 RMM: 3 -0.326500332626E+03 0.31776E-02 -0.88235E-03 5746 0.177E-01 0.133E-01 RMM: 4 -0.326500118628E+03 0.21400E-03 -0.46377E-04 4597 0.487E-02 0.719E-02 RMM: 5 -0.326500087758E+03 0.30870E-04 -0.67872E-05 3426 0.241E-02 0.562E-02 RMM: 6 -0.326500071416E+03 0.16342E-04 -0.21451E-05 2529 0.140E-02 249 T= 6363. E= 0.67455271E+03 F= 0.62976892E+03 E0= 0.65819391E+03 EK= 0.51819E+02 SP= -.73E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328085434770E+03 -0.15853E+01 -0.10531E-01 7568 0.240E+01 0.204E-01 RMM: 2 -0.328101576563E+03 -0.16142E-01 -0.91245E-02 4804 0.738E-01 0.111E+00 RMM: 3 -0.328093081403E+03 0.84952E-02 -0.10934E-02 5468 0.218E-01 0.155E-01 RMM: 4 -0.328092901585E+03 0.17982E-03 -0.82091E-04 4725 0.594E-02 0.959E-02 RMM: 5 -0.328092838388E+03 0.63197E-04 -0.11178E-04 3868 0.277E-02 0.610E-02 RMM: 6 -0.328092817204E+03 0.21184E-04 -0.23357E-05 2543 0.140E-02 0.393E-02 RMM: 7 -0.328092812515E+03 0.46893E-05 -0.17493E-05 2485 0.134E-02 250 T= 6515. E= 0.67454793E+03 F= 0.62817618E+03 E0= 0.65664637E+03 EK= 0.53053E+02 SP= -.69E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329666781438E+03 -0.15740E+01 -0.10504E-01 7408 0.242E+01 0.191E-01 RMM: 2 -0.329678522186E+03 -0.11741E-01 -0.66057E-02 4988 0.646E-01 0.966E-01 RMM: 3 -0.329672176302E+03 0.63459E-02 -0.76133E-03 5416 0.186E-01 0.181E-01 RMM: 4 -0.329671969714E+03 0.20659E-03 -0.73222E-04 4614 0.606E-02 0.107E-01 RMM: 5 -0.329671931380E+03 0.38334E-04 -0.12742E-04 3808 0.305E-02 0.849E-02 RMM: 6 -0.329671880445E+03 0.50935E-04 -0.31624E-05 2855 0.173E-02 0.282E-02 RMM: 7 -0.329671882065E+03 -0.16197E-05 -0.16783E-05 2492 0.129E-02 251 T= 6663. E= 0.67454251E+03 F= 0.62659711E+03 E0= 0.65511188E+03 EK= 0.54263E+02 SP= -.66E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331159778014E+03 -0.14879E+01 -0.11882E-01 7480 0.245E+01 0.163E-01 RMM: 2 -0.331172687148E+03 -0.12909E-01 -0.10253E-01 4848 0.767E-01 0.775E-01 RMM: 3 -0.331168665510E+03 0.40216E-02 -0.11751E-02 5846 0.193E-01 0.124E-01 RMM: 4 -0.331168441618E+03 0.22389E-03 -0.62287E-04 4623 0.595E-02 0.113E-01 RMM: 5 -0.331168355060E+03 0.86558E-04 -0.10009E-04 3651 0.282E-02 0.560E-02 RMM: 6 -0.331168338542E+03 0.16518E-04 -0.23815E-05 2536 0.142E-02 252 T= 6800. E= 0.67453741E+03 F= 0.62510065E+03 E0= 0.65365565E+03 EK= 0.55377E+02 SP= -.62E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332507010490E+03 -0.13387E+01 -0.11108E-01 7536 0.247E+01 0.166E-01 RMM: 2 -0.332517294249E+03 -0.10284E-01 -0.62424E-02 5061 0.618E-01 0.877E-01 RMM: 3 -0.332512119861E+03 0.51744E-02 -0.69107E-03 5441 0.175E-01 0.129E-01 RMM: 4 -0.332512001308E+03 0.11855E-03 -0.51058E-04 4684 0.463E-02 0.790E-02 RMM: 5 -0.332511951986E+03 0.49322E-04 -0.65253E-05 3437 0.232E-02 0.511E-02 RMM: 6 -0.332511940691E+03 0.11295E-04 -0.18745E-05 2518 0.126E-02 253 T= 6916. E= 0.67453262E+03 F= 0.62375705E+03 E0= 0.65234542E+03 EK= 0.56319E+02 SP= -.58E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333630816639E+03 -0.11189E+01 -0.11468E-01 7528 0.249E+01 0.252E-01 RMM: 2 -0.333649209101E+03 -0.18392E-01 -0.79539E-02 4882 0.718E-01 0.136E+00 RMM: 3 -0.333637066286E+03 0.12143E-01 -0.10581E-02 5360 0.238E-01 0.238E-01 RMM: 4 -0.333636657585E+03 0.40870E-03 -0.11012E-03 4646 0.687E-02 0.868E-02 RMM: 5 -0.333636632629E+03 0.24956E-04 -0.14270E-04 3863 0.306E-02 0.810E-02 RMM: 6 -0.333636586963E+03 0.45666E-04 -0.29763E-05 2625 0.165E-02 0.373E-02 RMM: 7 -0.333636585855E+03 0.11079E-05 -0.18048E-05 2493 0.136E-02 254 T= 7002. E= 0.67452865E+03 F= 0.62263240E+03 E0= 0.65124548E+03 EK= 0.57020E+02 SP= -.54E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334480753701E+03 -0.84417E+00 -0.11277E-01 7440 0.250E+01 0.198E-01 RMM: 2 -0.334492514551E+03 -0.11761E-01 -0.65942E-02 5028 0.648E-01 0.978E-01 RMM: 3 -0.334486037326E+03 0.64772E-02 -0.78197E-03 5398 0.194E-01 0.193E-01 RMM: 4 -0.334485821753E+03 0.21557E-03 -0.79602E-04 4629 0.626E-02 0.110E-01 RMM: 5 -0.334485772174E+03 0.49580E-04 -0.13057E-04 3814 0.303E-02 0.859E-02 RMM: 6 -0.334485721050E+03 0.51123E-04 -0.30590E-05 2794 0.173E-02 0.283E-02 RMM: 7 -0.334485720704E+03 0.34582E-06 -0.15971E-05 2485 0.125E-02 255 T= 7051. E= 0.67452527E+03 F= 0.62178327E+03 E0= 0.65041137E+03 EK= 0.57422E+02 SP= -.50E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335008934889E+03 -0.52321E+00 -0.12042E-01 7376 0.251E+01 0.165E-01 RMM: 2 -0.335018985986E+03 -0.10051E-01 -0.69267E-02 4992 0.657E-01 0.824E-01 RMM: 3 -0.335014664336E+03 0.43216E-02 -0.78994E-03 5614 0.177E-01 0.136E-01 RMM: 4 -0.335014503955E+03 0.16038E-03 -0.50640E-04 4545 0.513E-02 0.922E-02 RMM: 5 -0.335014449260E+03 0.54695E-04 -0.82179E-05 3593 0.255E-02 0.589E-02 RMM: 6 -0.335014429835E+03 0.19426E-04 -0.21842E-05 2533 0.140E-02 256 T= 7058. E= 0.67452388E+03 F= 0.62125456E+03 E0= 0.64988687E+03 EK= 0.57480E+02 SP= -.46E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335190980158E+03 -0.17653E+00 -0.12101E-01 7216 0.251E+01 0.163E-01 RMM: 2 -0.335201795985E+03 -0.10816E-01 -0.69839E-02 4963 0.655E-01 0.859E-01 RMM: 3 -0.335196818546E+03 0.49774E-02 -0.82149E-03 5500 0.187E-01 0.148E-01 RMM: 4 -0.335196630250E+03 0.18830E-03 -0.53015E-04 4702 0.483E-02 0.674E-02 RMM: 5 -0.335196597658E+03 0.32592E-04 -0.65064E-05 3345 0.241E-02 0.551E-02 RMM: 6 -0.335196584238E+03 0.13420E-04 -0.21045E-05 2525 0.137E-02 257 T= 7021. E= 0.67452415E+03 F= 0.62107241E+03 E0= 0.64970009E+03 EK= 0.57171E+02 SP= -.42E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335019249137E+03 0.17735E+00 -0.12032E-01 7216 0.250E+01 0.272E-01 RMM: 2 -0.335042017064E+03 -0.22768E-01 -0.81807E-02 4856 0.736E-01 0.156E+00 RMM: 3 -0.335025655933E+03 0.16361E-01 -0.12200E-02 5361 0.261E-01 0.256E-01 RMM: 4 -0.335025175254E+03 0.48068E-03 -0.12320E-03 4746 0.722E-02 0.734E-02 RMM: 5 -0.335025168352E+03 0.69014E-05 -0.14525E-04 3961 0.289E-02 258 T= 6937. E= 0.67452683E+03 F= 0.62124382E+03 E0= 0.64985956E+03 EK= 0.56494E+02 SP= -.37E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334508103944E+03 0.51707E+00 -0.12306E-01 7432 0.248E+01 0.178E-01 RMM: 2 -0.334522591484E+03 -0.14488E-01 -0.88678E-02 4851 0.718E-01 0.972E-01 RMM: 3 -0.334515954523E+03 0.66370E-02 -0.10965E-02 5470 0.217E-01 0.223E-01 RMM: 4 -0.334515567570E+03 0.38695E-03 -0.81029E-04 4704 0.622E-02 0.740E-02 RMM: 5 -0.334515540675E+03 0.26895E-04 -0.10185E-04 3845 0.268E-02 0.655E-02 RMM: 6 -0.334515516957E+03 0.23717E-04 -0.22593E-05 2542 0.141E-02 0.452E-02 RMM: 7 -0.334515522726E+03 -0.57683E-05 -0.26168E-05 2575 0.153E-02 259 T= 6812. E= 0.67453108E+03 F= 0.62175347E+03 E0= 0.65035324E+03 EK= 0.55470E+02 SP= -.32E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333700155535E+03 0.81536E+00 -0.12126E-01 7384 0.246E+01 0.204E-01 RMM: 2 -0.333714216744E+03 -0.14061E-01 -0.10255E-01 4675 0.791E-01 0.886E-01 RMM: 3 -0.333708847764E+03 0.53690E-02 -0.12534E-02 5587 0.221E-01 0.168E-01 RMM: 4 -0.333708646029E+03 0.20174E-03 -0.85341E-04 4796 0.664E-02 0.127E-01 RMM: 5 -0.333708591342E+03 0.54686E-04 -0.13472E-04 3802 0.306E-02 0.902E-02 RMM: 6 -0.333708538489E+03 0.52854E-04 -0.36682E-05 2981 0.185E-02 0.211E-02 RMM: 7 -0.333708542414E+03 -0.39257E-05 -0.12562E-05 2490 0.113E-02 260 T= 6649. E= 0.67453640E+03 F= 0.62256045E+03 E0= 0.65114128E+03 EK= 0.54149E+02 SP= -.27E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332660339375E+03 0.10482E+01 -0.12716E-01 7544 0.242E+01 0.138E-01 RMM: 2 -0.332674032559E+03 -0.13693E-01 -0.11994E-01 4739 0.831E-01 0.633E-01 RMM: 3 -0.332671041782E+03 0.29908E-02 -0.13471E-02 5914 0.207E-01 0.116E-01 RMM: 4 -0.332670807844E+03 0.23394E-03 -0.66084E-04 4649 0.648E-02 0.889E-02 RMM: 5 -0.332670745076E+03 0.62767E-04 -0.84773E-05 3572 0.284E-02 0.435E-02 RMM: 6 -0.332670737763E+03 0.73135E-05 -0.22574E-05 2525 0.136E-02 261 T= 6460. E= 0.67454386E+03 F= 0.62359825E+03 E0= 0.65216082E+03 EK= 0.52606E+02 SP= -.22E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331482902770E+03 0.11878E+01 -0.12140E-01 7464 0.238E+01 0.166E-01 RMM: 2 -0.331497938284E+03 -0.15036E-01 -0.10567E-01 4651 0.795E-01 0.900E-01 RMM: 3 -0.331492269972E+03 0.56683E-02 -0.13022E-02 5699 0.221E-01 0.162E-01 RMM: 4 -0.331491962904E+03 0.30707E-03 -0.69057E-04 4779 0.590E-02 0.676E-02 RMM: 5 -0.331491939724E+03 0.23179E-04 -0.96244E-05 3903 0.284E-02 0.613E-02 RMM: 6 -0.331491922291E+03 0.17433E-04 -0.24417E-05 2540 0.150E-02 262 T= 6256. E= 0.67455270E+03 F= 0.62477707E+03 E0= 0.65332317E+03 EK= 0.50941E+02 SP= -.17E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330276168759E+03 0.12158E+01 -0.11203E-01 7408 0.234E+01 0.325E-01 RMM: 2 -0.330302030159E+03 -0.25861E-01 -0.78958E-02 4814 0.729E-01 0.173E+00 RMM: 3 -0.330281964212E+03 0.20066E-01 -0.13622E-02 5330 0.289E-01 0.311E-01 RMM: 4 -0.330281288393E+03 0.67582E-03 -0.15295E-03 4871 0.821E-02 0.892E-02 RMM: 5 -0.330281288287E+03 0.10556E-06 -0.19010E-04 3888 0.336E-02 263 T= 6050. E= 0.67456364E+03 F= 0.62598770E+03 E0= 0.65452014E+03 EK= 0.49271E+02 SP= -.12E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329150252253E+03 0.11310E+01 -0.11095E-01 7600 0.229E+01 0.211E-01 RMM: 2 -0.329167889624E+03 -0.17637E-01 -0.84413E-02 4769 0.701E-01 0.121E+00 RMM: 3 -0.329157543484E+03 0.10346E-01 -0.11065E-02 5363 0.237E-01 0.207E-01 RMM: 4 -0.329157257798E+03 0.28569E-03 -0.99778E-04 4730 0.649E-02 0.934E-02 RMM: 5 -0.329157211874E+03 0.45924E-04 -0.12714E-04 3899 0.316E-02 0.663E-02 RMM: 6 -0.329157187127E+03 0.24747E-04 -0.29246E-05 2603 0.160E-02 0.406E-02 RMM: 7 -0.329157195814E+03 -0.86864E-05 -0.21748E-05 2543 0.141E-02 264 T= 5860. E= 0.67457476E+03 F= 0.62711179E+03 E0= 0.65563353E+03 EK= 0.47718E+02 SP= -.69E+00 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328231545390E+03 0.92564E+00 -0.10463E-01 7360 0.225E+01 0.221E-01 RMM: 2 -0.328244925787E+03 -0.13380E-01 -0.75926E-02 4760 0.700E-01 0.104E+00 RMM: 3 -0.328237639392E+03 0.72864E-02 -0.95455E-03 5426 0.213E-01 0.177E-01 RMM: 4 -0.328237481151E+03 0.15824E-03 -0.83096E-04 4662 0.630E-02 0.120E-01 RMM: 5 -0.328237410285E+03 0.70866E-04 -0.13363E-04 3837 0.308E-02 0.735E-02 RMM: 6 -0.328237375820E+03 0.34465E-04 -0.36049E-05 2979 0.183E-02 0.200E-02 RMM: 7 -0.328237381906E+03 -0.60859E-05 -0.12604E-05 2489 0.117E-02 265 T= 5698. E= 0.67458368E+03 F= 0.62803161E+03 E0= 0.65654589E+03 EK= 0.46403E+02 SP= -.24E+00 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327623016369E+03 0.61436E+00 -0.97812E-02 7384 0.221E+01 0.149E-01 RMM: 2 -0.327632123481E+03 -0.91071E-02 -0.69767E-02 4907 0.649E-01 0.685E-01 RMM: 3 -0.327628960606E+03 0.31629E-02 -0.80014E-03 5682 0.176E-01 0.129E-01 RMM: 4 -0.327628809609E+03 0.15100E-03 -0.43631E-04 4513 0.484E-02 0.876E-02 RMM: 5 -0.327628738168E+03 0.71441E-04 -0.64009E-05 3385 0.235E-02 0.461E-02 RMM: 6 -0.327628729131E+03 0.90377E-05 -0.19366E-05 2512 0.127E-02 266 T= 5579. E= 0.67459043E+03 F= 0.62864026E+03 E0= 0.65714920E+03 EK= 0.45432E+02 SP= 0.19E+00 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327406422340E+03 0.22232E+00 -0.97128E-02 7280 0.218E+01 0.151E-01 RMM: 2 -0.327417520404E+03 -0.11098E-01 -0.71453E-02 4855 0.643E-01 0.833E-01 RMM: 3 -0.327412555906E+03 0.49645E-02 -0.83657E-03 5533 0.183E-01 0.132E-01 RMM: 4 -0.327412388838E+03 0.16707E-03 -0.49661E-04 4713 0.474E-02 0.578E-02 RMM: 5 -0.327412364194E+03 0.24644E-04 -0.55065E-05 3079 0.224E-02 0.467E-02 RMM: 6 -0.327412357814E+03 0.63805E-05 -0.20873E-05 2518 0.140E-02 267 T= 5512. E= 0.67459464E+03 F= 0.62885663E+03 E0= 0.65736133E+03 EK= 0.44888E+02 SP= 0.57E+00 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327630883348E+03 -0.21852E+00 -0.98456E-02 7312 0.217E+01 0.268E-01 RMM: 2 -0.327650919280E+03 -0.20036E-01 -0.72758E-02 4923 0.678E-01 0.145E+00 RMM: 3 -0.327636473440E+03 0.14446E-01 -0.10640E-02 5360 0.244E-01 0.262E-01 RMM: 4 -0.327635987345E+03 0.48610E-03 -0.11620E-03 4703 0.710E-02 0.710E-02 RMM: 5 -0.327635981226E+03 0.61188E-05 -0.14038E-04 3928 0.276E-02 268 T= 5503. E= 0.67459689E+03 F= 0.62863301E+03 E0= 0.65713383E+03 EK= 0.44816E+02 SP= 0.93E+00 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328306327792E+03 -0.67034E+00 -0.96913E-02 7400 0.218E+01 0.177E-01 RMM: 2 -0.328318835024E+03 -0.12507E-01 -0.56313E-02 5095 0.570E-01 0.105E+00 RMM: 3 -0.328311019921E+03 0.78151E-02 -0.65392E-03 5390 0.182E-01 0.185E-01 RMM: 4 -0.328310784224E+03 0.23570E-03 -0.64683E-04 4617 0.529E-02 0.737E-02 RMM: 5 -0.328310752509E+03 0.31715E-04 -0.74139E-05 3540 0.231E-02 0.589E-02 RMM: 6 -0.328310732727E+03 0.19781E-04 -0.19282E-05 2532 0.133E-02 269 T= 5553. E= 0.67459646E+03 F= 0.62795826E+03 E0= 0.65645427E+03 EK= 0.45224E+02 SP= 0.12E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329405414397E+03 -0.10947E+01 -0.99260E-02 7240 0.219E+01 0.210E-01 RMM: 2 -0.329418620593E+03 -0.13206E-01 -0.68480E-02 4878 0.645E-01 0.107E+00 RMM: 3 -0.329410871957E+03 0.77486E-02 -0.85440E-03 5393 0.208E-01 0.191E-01 RMM: 4 -0.329410609495E+03 0.26246E-03 -0.79429E-04 4787 0.561E-02 0.696E-02 RMM: 5 -0.329410587939E+03 0.21555E-04 -0.96732E-05 3763 0.261E-02 0.626E-02 RMM: 6 -0.329410563099E+03 0.24840E-04 -0.21468E-05 2559 0.139E-02 0.320E-02 RMM: 7 -0.329410565596E+03 -0.24967E-05 -0.13716E-05 2485 0.119E-02 270 T= 5659. E= 0.67459211E+03 F= 0.62685842E+03 E0= 0.65534774E+03 EK= 0.46080E+02 SP= 0.15E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330867987153E+03 -0.14574E+01 -0.10122E-01 7640 0.222E+01 0.236E-01 RMM: 2 -0.330881175408E+03 -0.13188E-01 -0.64000E-02 4986 0.641E-01 0.111E+00 RMM: 3 -0.330872885091E+03 0.82903E-02 -0.86122E-03 5373 0.213E-01 0.186E-01 RMM: 4 -0.330872718957E+03 0.16613E-03 -0.89078E-04 4640 0.614E-02 0.125E-01 RMM: 5 -0.330872656137E+03 0.62820E-04 -0.14506E-04 3847 0.316E-02 0.906E-02 RMM: 6 -0.330872599027E+03 0.57110E-04 -0.43715E-05 3113 0.203E-02 0.229E-02 RMM: 7 -0.330872599072E+03 -0.44645E-07 -0.11370E-05 2482 0.104E-02 271 T= 5811. E= 0.67458559E+03 F= 0.62539639E+03 E0= 0.65387581E+03 EK= 0.47320E+02 SP= 0.18E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332599892617E+03 -0.17273E+01 -0.10527E-01 7656 0.225E+01 0.181E-01 RMM: 2 -0.332610913350E+03 -0.11021E-01 -0.71542E-02 4930 0.664E-01 0.885E-01 RMM: 3 -0.332605762280E+03 0.51511E-02 -0.82272E-03 5533 0.191E-01 0.144E-01 RMM: 4 -0.332605582964E+03 0.17932E-03 -0.60712E-04 4951 0.500E-02 0.840E-02 RMM: 5 -0.332605536685E+03 0.46279E-04 -0.81841E-05 3671 0.260E-02 0.542E-02 RMM: 6 -0.332605517828E+03 0.18857E-04 -0.22650E-05 2557 0.140E-02 272 T= 5998. E= 0.67457722E+03 F= 0.62366347E+03 E0= 0.65212864E+03 EK= 0.48846E+02 SP= 0.20E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334489819124E+03 -0.18843E+01 -0.10708E-01 7696 0.229E+01 0.165E-01 RMM: 2 -0.334501035160E+03 -0.11216E-01 -0.75543E-02 4858 0.678E-01 0.833E-01 RMM: 3 -0.334496382466E+03 0.46527E-02 -0.88797E-03 5586 0.190E-01 0.178E-01 RMM: 4 -0.334496105375E+03 0.27709E-03 -0.60606E-04 4706 0.532E-02 0.652E-02 RMM: 5 -0.334496074407E+03 0.30968E-04 -0.80476E-05 3643 0.243E-02 0.529E-02 RMM: 6 -0.334496061239E+03 0.13169E-04 -0.19465E-05 2522 0.129E-02 273 T= 6206. E= 0.67456774E+03 F= 0.62177293E+03 E0= 0.65021974E+03 EK= 0.50540E+02 SP= 0.22E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336411176000E+03 -0.19151E+01 -0.10812E-01 7600 0.234E+01 0.280E-01 RMM: 2 -0.336435093028E+03 -0.23917E-01 -0.83429E-02 4920 0.739E-01 0.160E+00 RMM: 3 -0.336417563816E+03 0.17529E-01 -0.11618E-02 5356 0.255E-01 0.253E-01 RMM: 4 -0.336417098189E+03 0.46563E-03 -0.13000E-03 4685 0.741E-02 0.792E-02 RMM: 5 -0.336417070962E+03 0.27227E-04 -0.16197E-04 3904 0.307E-02 0.745E-02 RMM: 6 -0.336417036421E+03 0.34541E-04 -0.30325E-05 2765 0.169E-02 0.353E-02 RMM: 7 -0.336417036502E+03 -0.81363E-07 -0.16420E-05 2491 0.129E-02 274 T= 6418. E= 0.67455745E+03 F= 0.61985195E+03 E0= 0.64827682E+03 EK= 0.52268E+02 SP= 0.24E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338227289953E+03 -0.18103E+01 -0.10787E-01 7528 0.238E+01 0.194E-01 RMM: 2 -0.338240233648E+03 -0.12944E-01 -0.82000E-02 4847 0.709E-01 0.931E-01 RMM: 3 -0.338234259259E+03 0.59744E-02 -0.98838E-03 5458 0.211E-01 0.219E-01 RMM: 4 -0.338233945740E+03 0.31352E-03 -0.89795E-04 4661 0.659E-02 0.919E-02 RMM: 5 -0.338233903341E+03 0.42399E-04 -0.14096E-04 3819 0.304E-02 0.762E-02 RMM: 6 -0.338233867052E+03 0.36289E-04 -0.29161E-05 2696 0.164E-02 0.275E-02 RMM: 7 -0.338233867485E+03 -0.43211E-06 -0.15007E-05 2483 0.124E-02 275 T= 6618. E= 0.67454713E+03 F= 0.61803512E+03 E0= 0.64643525E+03 EK= 0.53889E+02 SP= 0.26E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339807727616E+03 -0.15739E+01 -0.11227E-01 7512 0.241E+01 0.172E-01 RMM: 2 -0.339820294539E+03 -0.12567E-01 -0.88833E-02 4899 0.730E-01 0.868E-01 RMM: 3 -0.339815342539E+03 0.49520E-02 -0.10349E-02 5740 0.194E-01 0.150E-01 RMM: 4 -0.339815099421E+03 0.24312E-03 -0.61275E-04 4727 0.558E-02 0.859E-02 RMM: 5 -0.339815047380E+03 0.52041E-04 -0.96061E-05 3697 0.274E-02 0.559E-02 RMM: 6 -0.339815031427E+03 0.15953E-04 -0.23837E-05 2552 0.143E-02 276 T= 6787. E= 0.67453844E+03 F= 0.61645396E+03 E0= 0.64482802E+03 EK= 0.55266E+02 SP= 0.27E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341036929919E+03 -0.12219E+01 -0.12182E-01 7504 0.244E+01 0.156E-01 RMM: 2 -0.341050856166E+03 -0.13926E-01 -0.10857E-01 4852 0.792E-01 0.788E-01 RMM: 3 -0.341046539866E+03 0.43163E-02 -0.12800E-02 5862 0.204E-01 0.126E-01 RMM: 4 -0.341046254548E+03 0.28532E-03 -0.61104E-04 4832 0.557E-02 0.771E-02 RMM: 5 -0.341046211901E+03 0.42648E-04 -0.77364E-05 3543 0.258E-02 0.514E-02 RMM: 6 -0.341046202931E+03 0.89700E-05 -0.19252E-05 2517 0.129E-02 277 T= 6911. E= 0.67453191E+03 F= 0.61522279E+03 E0= 0.64357157E+03 EK= 0.56280E+02 SP= 0.29E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341832922072E+03 -0.78671E+00 -0.11580E-01 7296 0.246E+01 0.239E-01 RMM: 2 -0.341850529967E+03 -0.17608E-01 -0.91894E-02 4810 0.760E-01 0.122E+00 RMM: 3 -0.341840412710E+03 0.10117E-01 -0.11884E-02 5425 0.243E-01 0.229E-01 RMM: 4 -0.341840022828E+03 0.38988E-03 -0.10739E-03 4810 0.668E-02 0.758E-02 RMM: 5 -0.341839998826E+03 0.24002E-04 -0.13102E-04 3872 0.299E-02 0.742E-02 RMM: 6 -0.341839964576E+03 0.34249E-04 -0.25607E-05 2570 0.150E-02 0.392E-02 RMM: 7 -0.341839962866E+03 0.17098E-05 -0.15201E-05 2487 0.129E-02 278 T= 6980. E= 0.67452762E+03 F= 0.61442903E+03 E0= 0.64275551E+03 EK= 0.56838E+02 SP= 0.32E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342135659967E+03 -0.29570E+00 -0.12216E-01 7616 0.246E+01 0.193E-01 RMM: 2 -0.342149933217E+03 -0.14273E-01 -0.10208E-01 4767 0.787E-01 0.884E-01 RMM: 3 -0.342144545251E+03 0.53880E-02 -0.12523E-02 5618 0.222E-01 0.191E-01 RMM: 4 -0.342144221901E+03 0.32335E-03 -0.88054E-04 4771 0.664E-02 0.973E-02 RMM: 5 -0.342144184590E+03 0.37311E-04 -0.13055E-04 3826 0.299E-02 0.785E-02 RMM: 6 -0.342144144503E+03 0.40087E-04 -0.30016E-05 2739 0.166E-02 0.277E-02 RMM: 7 -0.342144145515E+03 -0.10118E-05 -0.14618E-05 2483 0.122E-02 279 T= 6986. E= 0.67452674E+03 F= 0.61412484E+03 E0= 0.64243258E+03 EK= 0.56889E+02 SP= 0.34E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341942954557E+03 0.20119E+00 -0.11581E-01 7568 0.245E+01 0.159E-01 RMM: 2 -0.341953847568E+03 -0.10893E-01 -0.82212E-02 4799 0.703E-01 0.747E-01 RMM: 3 -0.341950058326E+03 0.37892E-02 -0.99304E-03 5669 0.197E-01 0.121E-01 RMM: 4 -0.341949911558E+03 0.14677E-03 -0.52465E-04 4863 0.504E-02 0.872E-02 RMM: 5 -0.341949851313E+03 0.60245E-04 -0.68794E-05 3465 0.243E-02 0.506E-02 RMM: 6 -0.341949839663E+03 0.11651E-04 -0.23350E-05 2533 0.146E-02 280 T= 6929. E= 0.67452928E+03 F= 0.61431915E+03 E0= 0.64261186E+03 EK= 0.56427E+02 SP= 0.36E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341283055304E+03 0.66680E+00 -0.11576E-01 7504 0.243E+01 0.159E-01 RMM: 2 -0.341296129426E+03 -0.13074E-01 -0.10290E-01 4707 0.778E-01 0.752E-01 RMM: 3 -0.341292190190E+03 0.39392E-02 -0.12685E-02 5788 0.214E-01 0.129E-01 RMM: 4 -0.341291941712E+03 0.24848E-03 -0.63054E-04 5019 0.549E-02 0.724E-02 RMM: 5 -0.341291903200E+03 0.38512E-04 -0.72590E-05 3429 0.256E-02 0.452E-02 RMM: 6 -0.341291896601E+03 0.65985E-05 -0.20638E-05 2511 0.140E-02 281 T= 6814. E= 0.67453542E+03 F= 0.61497709E+03 E0= 0.64325915E+03 EK= 0.55490E+02 SP= 0.39E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340240924318E+03 0.10510E+01 -0.11133E-01 7432 0.240E+01 0.217E-01 RMM: 2 -0.340256635362E+03 -0.15711E-01 -0.84536E-02 4724 0.723E-01 0.112E+00 RMM: 3 -0.340248077112E+03 0.85583E-02 -0.11372E-02 5425 0.236E-01 0.208E-01 RMM: 4 -0.340247769413E+03 0.30770E-03 -0.94941E-04 4745 0.647E-02 0.748E-02 RMM: 5 -0.340247747563E+03 0.21850E-04 -0.11356E-04 3942 0.273E-02 0.726E-02 RMM: 6 -0.340247714476E+03 0.33087E-04 -0.23661E-05 2556 0.144E-02 0.370E-02 RMM: 7 -0.340247716006E+03 -0.15293E-05 -0.17703E-05 2499 0.136E-02 282 T= 6651. E= 0.67454346E+03 F= 0.61602127E+03 E0= 0.64429701E+03 EK= 0.54162E+02 SP= 0.42E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338917802533E+03 0.13299E+01 -0.11013E-01 7488 0.236E+01 0.211E-01 RMM: 2 -0.338933231368E+03 -0.15429E-01 -0.93469E-02 4706 0.752E-01 0.103E+00 RMM: 3 -0.338925726538E+03 0.75048E-02 -0.11769E-02 5526 0.230E-01 0.195E-01 RMM: 4 -0.338925456287E+03 0.27025E-03 -0.96654E-04 4704 0.695E-02 0.103E-01 RMM: 5 -0.338925436523E+03 0.19764E-04 -0.13639E-04 3829 0.302E-02 283 T= 6454. E= 0.67455407E+03 F= 0.61734355E+03 E0= 0.64561786E+03 EK= 0.52561E+02 SP= 0.45E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337446395387E+03 0.14791E+01 -0.10420E-01 7544 0.231E+01 0.121E-01 RMM: 2 -0.337456608899E+03 -0.10214E-01 -0.88795E-02 4843 0.709E-01 0.556E-01 RMM: 3 -0.337454354033E+03 0.22549E-02 -0.10162E-02 5981 0.188E-01 0.983E-02 RMM: 4 -0.337454189560E+03 0.16447E-03 -0.38497E-04 4513 0.477E-02 0.906E-02 RMM: 5 -0.337454131751E+03 0.57809E-04 -0.55787E-05 3158 0.243E-02 0.540E-02 RMM: 6 -0.337454129135E+03 0.26164E-05 -0.29510E-05 2565 0.158E-02 284 T= 6241. E= 0.67456489E+03 F= 0.61881486E+03 E0= 0.64709182E+03 EK= 0.50822E+02 SP= 0.48E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335960388822E+03 0.14937E+01 -0.10003E-01 7320 0.227E+01 0.194E-01 RMM: 2 -0.335976743335E+03 -0.16355E-01 -0.93731E-02 4748 0.742E-01 0.107E+00 RMM: 3 -0.335968456499E+03 0.82868E-02 -0.11693E-02 5521 0.226E-01 0.154E-01 RMM: 4 -0.335968263497E+03 0.19300E-03 -0.84090E-04 4760 0.611E-02 0.947E-02 RMM: 5 -0.335968218789E+03 0.44708E-04 -0.10955E-04 3814 0.292E-02 0.558E-02 RMM: 6 -0.335968199839E+03 0.18950E-04 -0.22133E-05 2550 0.136E-02 285 T= 6028. E= 0.67457423E+03 F= 0.62030079E+03 E0= 0.64858543E+03 EK= 0.49085E+02 SP= 0.50E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334584325291E+03 0.13839E+01 -0.93508E-02 7504 0.224E+01 0.248E-01 RMM: 2 -0.334605496599E+03 -0.21171E-01 -0.95001E-02 4877 0.759E-01 0.139E+00 RMM: 3 -0.334592080804E+03 0.13416E-01 -0.12216E-02 5430 0.249E-01 0.226E-01 RMM: 4 -0.334591684630E+03 0.39617E-03 -0.11475E-03 4725 0.720E-02 0.805E-02 RMM: 5 -0.334591648721E+03 0.35909E-04 -0.13809E-04 4062 0.291E-02 0.712E-02 RMM: 6 -0.334591616797E+03 0.31924E-04 -0.24907E-05 2566 0.148E-02 0.409E-02 RMM: 7 -0.334591614189E+03 0.26077E-05 -0.26087E-05 2548 0.157E-02 286 T= 5831. E= 0.67458223E+03 F= 0.62167738E+03 E0= 0.64997500E+03 EK= 0.47481E+02 SP= 0.53E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333421252105E+03 0.11704E+01 -0.90993E-02 7592 0.221E+01 0.132E-01 RMM: 2 -0.333430599838E+03 -0.93477E-02 -0.79119E-02 4760 0.689E-01 0.574E-01 RMM: 3 -0.333428295395E+03 0.23044E-02 -0.96215E-03 5850 0.191E-01 0.111E-01 RMM: 4 -0.333428157439E+03 0.13796E-03 -0.46259E-04 4576 0.505E-02 0.978E-02 RMM: 5 -0.333428093844E+03 0.63595E-04 -0.72491E-05 3434 0.256E-02 0.436E-02 RMM: 6 -0.333428085426E+03 0.84177E-05 -0.18223E-05 2521 0.126E-02 287 T= 5663. E= 0.67458797E+03 F= 0.62284090E+03 E0= 0.65115709E+03 EK= 0.46118E+02 SP= 0.55E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332544171961E+03 0.88392E+00 -0.90649E-02 7504 0.219E+01 0.176E-01 RMM: 2 -0.332557651512E+03 -0.13480E-01 -0.90734E-02 4804 0.731E-01 0.903E-01 RMM: 3 -0.332552102748E+03 0.55488E-02 -0.11017E-02 5735 0.209E-01 0.170E-01 RMM: 4 -0.332551789540E+03 0.31321E-03 -0.64498E-04 4730 0.566E-02 0.777E-02 RMM: 5 -0.332551751205E+03 0.38334E-04 -0.85802E-05 3702 0.256E-02 0.569E-02 RMM: 6 -0.332551736716E+03 0.14489E-04 -0.20857E-05 2533 0.134E-02 288 T= 5535. E= 0.67459173E+03 F= 0.62371725E+03 E0= 0.65205688E+03 EK= 0.45073E+02 SP= 0.57E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331998526678E+03 0.55322E+00 -0.88944E-02 7488 0.219E+01 0.215E-01 RMM: 2 -0.332015661166E+03 -0.17134E-01 -0.89405E-02 4810 0.729E-01 0.117E+00 RMM: 3 -0.332006046891E+03 0.96143E-02 -0.11373E-02 5490 0.233E-01 0.197E-01 RMM: 4 -0.332005737207E+03 0.30968E-03 -0.92207E-04 4827 0.609E-02 0.719E-02 RMM: 5 -0.332005716416E+03 0.20792E-04 -0.10057E-04 3794 0.269E-02 0.674E-02 RMM: 6 -0.332005690395E+03 0.26020E-04 -0.21923E-05 2549 0.135E-02 0.442E-02 RMM: 7 -0.332005696637E+03 -0.62411E-05 -0.25105E-05 2585 0.158E-02 289 T= 5451. E= 0.67459299E+03 F= 0.62426329E+03 E0= 0.65263016E+03 EK= 0.44390E+02 SP= 0.59E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331796648648E+03 0.20904E+00 -0.93534E-02 7496 0.219E+01 0.230E-01 RMM: 2 -0.331811752490E+03 -0.15104E-01 -0.92499E-02 4760 0.748E-01 0.105E+00 RMM: 3 -0.331804344814E+03 0.74077E-02 -0.11767E-02 5553 0.230E-01 0.222E-01 RMM: 4 -0.331804014531E+03 0.33028E-03 -0.10717E-03 4685 0.725E-02 0.121E-01 RMM: 5 -0.331803995883E+03 0.18648E-04 -0.17440E-04 3856 0.341E-02 290 T= 5414. E= 0.67459295E+03 F= 0.62446499E+03 E0= 0.65286308E+03 EK= 0.44086E+02 SP= 0.60E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331924913230E+03 -0.12090E+00 -0.98848E-02 7456 0.221E+01 0.173E-01 RMM: 2 -0.331939791422E+03 -0.14878E-01 -0.10473E-01 4824 0.776E-01 0.906E-01 RMM: 3 -0.331934164212E+03 0.56272E-02 -0.12645E-02 5802 0.216E-01 0.158E-01 RMM: 4 -0.331933864623E+03 0.29959E-03 -0.65937E-04 4956 0.543E-02 0.777E-02 RMM: 5 -0.331933814125E+03 0.50497E-04 -0.81575E-05 3656 0.250E-02 0.596E-02 RMM: 6 -0.331933801521E+03 0.12604E-04 -0.23545E-05 2537 0.142E-02 291 T= 5421. E= 0.67459182E+03 F= 0.62433519E+03 E0= 0.65276512E+03 EK= 0.44147E+02 SP= 0.61E+01 SK= 0.74E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332351832437E+03 -0.41802E+00 -0.10636E-01 7328 0.222E+01 0.220E-01 RMM: 2 -0.332371527099E+03 -0.19695E-01 -0.11984E-01 4724 0.825E-01 0.115E+00 RMM: 3 -0.332362214778E+03 0.93123E-02 -0.14716E-02 5548 0.247E-01 0.208E-01 RMM: 4 -0.332361824652E+03 0.39013E-03 -0.10896E-03 5015 0.653E-02 0.716E-02 RMM: 5 -0.332361799156E+03 0.25496E-04 -0.12441E-04 3931 0.279E-02 0.687E-02 RMM: 6 -0.332361772958E+03 0.26199E-04 -0.23962E-05 2565 0.143E-02 0.439E-02 RMM: 7 -0.332361784568E+03 -0.11611E-04 -0.27099E-05 2582 0.161E-02 292 T= 5469. E= 0.67458823E+03 F= 0.62390720E+03 E0= 0.65237016E+03 EK= 0.44538E+02 SP= 0.61E+01 SK= 0.82E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333027607309E+03 -0.66583E+00 -0.10102E-01 7400 0.225E+01 0.328E-01 RMM: 2 -0.333054512699E+03 -0.26905E-01 -0.12072E-01 4745 0.860E-01 0.160E+00 RMM: 3 -0.333037072609E+03 0.17440E-01 -0.16527E-02 5414 0.288E-01 0.309E-01 RMM: 4 -0.333036433945E+03 0.63866E-03 -0.18819E-03 4947 0.914E-02 0.132E-01 RMM: 5 -0.333036496920E+03 -0.62975E-04 -0.28582E-04 3905 0.390E-02 0.165E-01 RMM: 6 -0.333036313114E+03 0.18381E-03 -0.89348E-05 3612 0.270E-02 0.314E-02 RMM: 7 -0.333036311075E+03 0.20388E-05 -0.18687E-05 2536 0.127E-02 293 T= 5551. E= 0.67458369E+03 F= 0.62323268E+03 E0= 0.65172739E+03 EK= 0.45207E+02 SP= 0.61E+01 SK= 0.62E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333879564144E+03 -0.84325E+00 -0.11294E-01 7576 0.227E+01 0.197E-01 RMM: 2 -0.333897719637E+03 -0.18155E-01 -0.12388E-01 4713 0.846E-01 0.101E+00 RMM: 3 -0.333890444394E+03 0.72752E-02 -0.14909E-02 5660 0.241E-01 0.180E-01 RMM: 4 -0.333890111570E+03 0.33282E-03 -0.93415E-04 4975 0.636E-02 0.837E-02 RMM: 5 -0.333890066816E+03 0.44754E-04 -0.12268E-04 3904 0.292E-02 0.669E-02 RMM: 6 -0.333890039259E+03 0.27557E-04 -0.26833E-05 2584 0.152E-02 0.399E-02 RMM: 7 -0.333890039155E+03 0.10401E-06 -0.18475E-05 2509 0.132E-02 294 T= 5659. E= 0.67457872E+03 F= 0.62237895E+03 E0= 0.65090405E+03 EK= 0.46087E+02 SP= 0.61E+01 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334836505101E+03 -0.94647E+00 -0.10424E-01 7704 0.229E+01 0.170E-01 RMM: 2 -0.334849365353E+03 -0.12860E-01 -0.10030E-01 4749 0.758E-01 0.771E-01 RMM: 3 -0.334845336649E+03 0.40287E-02 -0.12443E-02 5940 0.205E-01 0.152E-01 RMM: 4 -0.334845024814E+03 0.31183E-03 -0.64103E-04 4742 0.578E-02 0.907E-02 RMM: 5 -0.334844983650E+03 0.41164E-04 -0.95247E-05 3665 0.267E-02 0.655E-02 RMM: 6 -0.334844959556E+03 0.24094E-04 -0.23834E-05 2554 0.146E-02 0.340E-02 RMM: 7 -0.334844960572E+03 -0.10164E-05 -0.14190E-05 2484 0.119E-02 295 T= 5783. E= 0.67457260E+03 F= 0.62142403E+03 E0= 0.64997591E+03 EK= 0.47096E+02 SP= 0.60E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335806431990E+03 -0.96147E+00 -0.10908E-01 7688 0.230E+01 0.152E-01 RMM: 2 -0.335817068282E+03 -0.10636E-01 -0.92910E-02 4805 0.732E-01 0.600E-01 RMM: 3 -0.335814576953E+03 0.24913E-02 -0.11212E-02 5964 0.192E-01 0.116E-01 RMM: 4 -0.335814382911E+03 0.19404E-03 -0.53740E-04 4597 0.546E-02 0.122E-01 RMM: 5 -0.335814285995E+03 0.96916E-04 -0.93194E-05 3591 0.282E-02 0.568E-02 RMM: 6 -0.335814267925E+03 0.18069E-04 -0.23695E-05 2543 0.143E-02 296 T= 5912. E= 0.67456661E+03 F= 0.62045472E+03 E0= 0.64903054E+03 EK= 0.48145E+02 SP= 0.59E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336703042907E+03 -0.88876E+00 -0.10515E-01 7600 0.231E+01 0.151E-01 RMM: 2 -0.336712793608E+03 -0.97507E-02 -0.72450E-02 4878 0.645E-01 0.713E-01 RMM: 3 -0.336709320384E+03 0.34732E-02 -0.85282E-03 5710 0.182E-01 0.144E-01 RMM: 4 -0.336709126289E+03 0.19410E-03 -0.48412E-04 4610 0.475E-02 0.788E-02 RMM: 5 -0.336709079255E+03 0.47033E-04 -0.66936E-05 3437 0.239E-02 0.537E-02 RMM: 6 -0.336709067398E+03 0.11857E-04 -0.20890E-05 2521 0.134E-02 297 T= 6035. E= 0.67456135E+03 F= 0.61955992E+03 E0= 0.64815574E+03 EK= 0.49143E+02 SP= 0.58E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337441376794E+03 -0.73230E+00 -0.10841E-01 7704 0.232E+01 0.264E-01 RMM: 2 -0.337463007247E+03 -0.21630E-01 -0.70934E-02 4887 0.668E-01 0.155E+00 RMM: 3 -0.337446841639E+03 0.16166E-01 -0.10646E-02 5378 0.243E-01 0.239E-01 RMM: 4 -0.337446434980E+03 0.40666E-03 -0.11366E-03 4661 0.694E-02 0.874E-02 RMM: 5 -0.337446410673E+03 0.24307E-04 -0.14235E-04 3879 0.300E-02 0.845E-02 RMM: 6 -0.337446365728E+03 0.44945E-04 -0.30164E-05 2681 0.169E-02 0.411E-02 RMM: 7 -0.337446365357E+03 0.37113E-06 -0.17455E-05 2496 0.133E-02 298 T= 6140. E= 0.67455657E+03 F= 0.61882262E+03 E0= 0.64743563E+03 EK= 0.50003E+02 SP= 0.57E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337951104669E+03 -0.50474E+00 -0.10615E-01 7712 0.233E+01 0.214E-01 RMM: 2 -0.337965071853E+03 -0.13967E-01 -0.64220E-02 4956 0.615E-01 0.114E+00 RMM: 3 -0.337956183071E+03 0.88888E-02 -0.85475E-03 5402 0.211E-01 0.230E-01 RMM: 4 -0.337955881370E+03 0.30170E-03 -0.94939E-04 4637 0.666E-02 0.105E-01 RMM: 5 -0.337955855203E+03 0.26167E-04 -0.14135E-04 3845 0.314E-02 0.999E-02 RMM: 6 -0.337955787788E+03 0.67415E-04 -0.38098E-05 3014 0.189E-02 0.288E-02 RMM: 7 -0.337955787562E+03 0.22595E-06 -0.14917E-05 2487 0.122E-02 299 T= 6220. E= 0.67455314E+03 F= 0.61831320E+03 E0= 0.64694059E+03 EK= 0.50651E+02 SP= 0.55E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338181204467E+03 -0.22542E+00 -0.10268E-01 7616 0.233E+01 0.182E-01 RMM: 2 -0.338193379854E+03 -0.12175E-01 -0.70395E-02 4871 0.640E-01 0.966E-01 RMM: 3 -0.338187054837E+03 0.63250E-02 -0.85501E-03 5588 0.193E-01 0.171E-01 RMM: 4 -0.338186818385E+03 0.23645E-03 -0.63841E-04 4697 0.541E-02 0.831E-02 RMM: 5 -0.338186776334E+03 0.42052E-04 -0.90695E-05 3673 0.255E-02 0.646E-02 RMM: 6 -0.338186750816E+03 0.25518E-04 -0.23071E-05 2556 0.144E-02 0.380E-02 RMM: 7 -0.338186748224E+03 0.25926E-05 -0.17425E-05 2492 0.128E-02 300 T= 6267. E= 0.67455162E+03 F= 0.61808224E+03 E0= 0.64672071E+03 EK= 0.51034E+02 SP= 0.54E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338108141855E+03 0.78609E-01 -0.99114E-02 7696 0.233E+01 0.169E-01 RMM: 2 -0.338117742616E+03 -0.96008E-02 -0.67288E-02 4871 0.634E-01 0.776E-01 RMM: 3 -0.338113749050E+03 0.39936E-02 -0.84023E-03 5716 0.183E-01 0.145E-01 RMM: 4 -0.338113548776E+03 0.20027E-03 -0.53655E-04 4716 0.497E-02 0.804E-02 RMM: 5 -0.338113515408E+03 0.33368E-04 -0.72195E-05 3499 0.240E-02 0.612E-02 RMM: 6 -0.338113493623E+03 0.21785E-04 -0.21621E-05 2548 0.141E-02 0.325E-02 RMM: 7 -0.338113493250E+03 0.37298E-06 -0.15317E-05 2488 0.124E-02 301 T= 6278. E= 0.67455213E+03 F= 0.61815550E+03 E0= 0.64680324E+03 EK= 0.51125E+02 SP= 0.52E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337729441338E+03 0.38405E+00 -0.10240E-01 7680 0.231E+01 0.159E-01 RMM: 2 -0.337740604988E+03 -0.11164E-01 -0.89031E-02 4802 0.715E-01 0.708E-01 RMM: 3 -0.337737186982E+03 0.34180E-02 -0.10950E-02 5947 0.192E-01 0.148E-01 RMM: 4 -0.337736901594E+03 0.28539E-03 -0.56139E-04 4676 0.544E-02 0.884E-02 RMM: 5 -0.337736860093E+03 0.41501E-04 -0.85936E-05 3570 0.260E-02 0.650E-02 RMM: 6 -0.337736834090E+03 0.26003E-04 -0.23804E-05 2561 0.148E-02 0.331E-02 RMM: 7 -0.337736832192E+03 0.18979E-05 -0.12660E-05 2476 0.114E-02 302 T= 6253. E= 0.67455386E+03 F= 0.61853216E+03 E0= 0.64718548E+03 EK= 0.50921E+02 SP= 0.50E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337072851871E+03 0.66398E+00 -0.98350E-02 7728 0.230E+01 0.168E-01 RMM: 2 -0.337082604989E+03 -0.97531E-02 -0.70787E-02 4924 0.646E-01 0.761E-01 RMM: 3 -0.337078774080E+03 0.38309E-02 -0.85368E-03 5770 0.183E-01 0.150E-01 RMM: 4 -0.337078545465E+03 0.22861E-03 -0.52643E-04 4764 0.489E-02 0.724E-02 RMM: 5 -0.337078521044E+03 0.24421E-04 -0.68660E-05 3440 0.236E-02 0.633E-02 RMM: 6 -0.337078498520E+03 0.22524E-04 -0.22368E-05 2552 0.145E-02 0.342E-02 RMM: 7 -0.337078498957E+03 -0.43688E-06 -0.21070E-05 2511 0.141E-02 303 T= 6195. E= 0.67455719E+03 F= 0.61919049E+03 E0= 0.64784591E+03 EK= 0.50445E+02 SP= 0.48E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336169384203E+03 0.90911E+00 -0.97086E-02 7632 0.228E+01 0.167E-01 RMM: 2 -0.336180232454E+03 -0.10848E-01 -0.78998E-02 4935 0.668E-01 0.775E-01 RMM: 3 -0.336176097525E+03 0.41349E-02 -0.93450E-03 5813 0.182E-01 0.167E-01 RMM: 4 -0.336175802591E+03 0.29493E-03 -0.58564E-04 4562 0.551E-02 0.756E-02 RMM: 5 -0.336175786678E+03 0.15913E-04 -0.87339E-05 3604 0.243E-02 304 T= 6107. E= 0.67456197E+03 F= 0.62009320E+03 E0= 0.64874653E+03 EK= 0.49735E+02 SP= 0.46E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335071231624E+03 0.11046E+01 -0.91056E-02 7600 0.226E+01 0.124E-01 RMM: 2 -0.335078569256E+03 -0.73376E-02 -0.56650E-02 5172 0.559E-01 0.610E-01 RMM: 3 -0.335076025931E+03 0.25433E-02 -0.56352E-03 5853 0.143E-01 0.137E-01 RMM: 4 -0.335075840688E+03 0.18524E-03 -0.28291E-04 4293 0.369E-02 0.658E-02 RMM: 5 -0.335075811129E+03 0.29558E-04 -0.35351E-05 2728 0.179E-02 0.614E-02 RMM: 6 -0.335075800422E+03 0.10707E-04 -0.23591E-05 2573 0.147E-02 305 T= 5997. E= 0.67456719E+03 F= 0.62119319E+03 E0= 0.64984010E+03 EK= 0.48839E+02 SP= 0.44E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333829270170E+03 0.12465E+01 -0.94043E-02 7608 0.224E+01 0.294E-01 RMM: 2 -0.333854748637E+03 -0.25478E-01 -0.73916E-02 4860 0.674E-01 0.171E+00 RMM: 3 -0.333834739712E+03 0.20009E-01 -0.12199E-02 5345 0.267E-01 0.265E-01 RMM: 4 -0.333834268242E+03 0.47147E-03 -0.13720E-03 4891 0.703E-02 0.699E-02 RMM: 5 -0.333834294375E+03 -0.26133E-04 -0.15796E-04 3862 0.330E-02 0.103E-01 RMM: 6 -0.333834226288E+03 0.68087E-04 -0.37072E-05 3010 0.183E-02 0.321E-02 RMM: 7 -0.333834223488E+03 0.28005E-05 -0.13254E-05 2494 0.118E-02 306 T= 5872. E= 0.67457224E+03 F= 0.62243477E+03 E0= 0.65107100E+03 EK= 0.47815E+02 SP= 0.42E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332508310332E+03 0.13259E+01 -0.92079E-02 7488 0.222E+01 0.290E-01 RMM: 2 -0.332533701529E+03 -0.25391E-01 -0.67401E-02 5112 0.643E-01 0.174E+00 RMM: 3 -0.332513163033E+03 0.20538E-01 -0.10965E-02 5351 0.255E-01 0.262E-01 RMM: 4 -0.332512689865E+03 0.47317E-03 -0.12595E-03 4684 0.732E-02 0.987E-02 RMM: 5 -0.332512691107E+03 -0.12419E-05 -0.17097E-04 3867 0.328E-02 307 T= 5738. E= 0.67457870E+03 F= 0.62375630E+03 E0= 0.65237888E+03 EK= 0.46730E+02 SP= 0.39E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331177648571E+03 0.13350E+01 -0.88554E-02 7400 0.220E+01 0.201E-01 RMM: 2 -0.331192177083E+03 -0.14529E-01 -0.63018E-02 5064 0.604E-01 0.118E+00 RMM: 3 -0.331182686330E+03 0.94908E-02 -0.77320E-03 5397 0.196E-01 0.197E-01 RMM: 4 -0.331182422750E+03 0.26358E-03 -0.73423E-04 4930 0.525E-02 0.682E-02 RMM: 5 -0.331182394282E+03 0.28468E-04 -0.90540E-05 3699 0.269E-02 0.673E-02 RMM: 6 -0.331182370122E+03 0.24160E-04 -0.29778E-05 2748 0.158E-02 0.482E-02 RMM: 7 -0.331182397791E+03 -0.27669E-04 -0.43895E-05 3099 0.182E-02 0.871E-02 RMM: 8 -0.331182348393E+03 0.49398E-04 -0.58956E-05 3551 0.208E-02 0.265E-02 RMM: 9 -0.331182345387E+03 0.30052E-05 -0.93971E-06 2459 0.900E-03 308 T= 5607. E= 0.67458607E+03 F= 0.62508664E+03 E0= 0.65369116E+03 EK= 0.45656E+02 SP= 0.37E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329921043148E+03 0.12613E+01 -0.87342E-02 7576 0.219E+01 0.176E-01 RMM: 2 -0.329928690836E+03 -0.76477E-02 -0.64537E-02 4956 0.609E-01 0.602E-01 RMM: 3 -0.329926194924E+03 0.24959E-02 -0.74142E-03 5735 0.165E-01 0.139E-01 RMM: 4 -0.329926204073E+03 -0.91489E-05 -0.56341E-04 4581 0.556E-02 0.185E-01 RMM: 5 -0.329925995047E+03 0.20903E-03 -0.13148E-04 3764 0.304E-02 0.755E-02 RMM: 6 -0.329925957540E+03 0.37506E-04 -0.32326E-05 2927 0.179E-02 0.191E-02 RMM: 7 -0.329925962107E+03 -0.45668E-05 -0.11726E-05 2485 0.104E-02 309 T= 5487. E= 0.67459327E+03 F= 0.62634303E+03 E0= 0.65492746E+03 EK= 0.44680E+02 SP= 0.33E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328829303822E+03 0.10967E+01 -0.83231E-02 7688 0.217E+01 0.154E-01 RMM: 2 -0.328837260192E+03 -0.79564E-02 -0.58249E-02 5139 0.581E-01 0.682E-01 RMM: 3 -0.328834098095E+03 0.31621E-02 -0.64955E-03 5775 0.160E-01 0.130E-01 RMM: 4 -0.328833926515E+03 0.17158E-03 -0.39475E-04 4511 0.412E-02 0.669E-02 RMM: 5 -0.328833895195E+03 0.31320E-04 -0.42744E-05 2826 0.199E-02 0.507E-02 RMM: 6 -0.328833884931E+03 0.10264E-04 -0.20617E-05 2512 0.139E-02 310 T= 5390. E= 0.67460085E+03 F= 0.62743510E+03 E0= 0.65599713E+03 EK= 0.43896E+02 SP= 0.30E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327995101988E+03 0.83879E+00 -0.84882E-02 7608 0.216E+01 0.175E-01 RMM: 2 -0.328005408484E+03 -0.10306E-01 -0.59974E-02 4990 0.587E-01 0.886E-01 RMM: 3 -0.328000124241E+03 0.52842E-02 -0.72033E-03 5495 0.181E-01 0.166E-01 RMM: 4 -0.327999918218E+03 0.20602E-03 -0.55794E-04 4762 0.475E-02 0.719E-02 RMM: 5 -0.327999889906E+03 0.28312E-04 -0.57481E-05 3223 0.220E-02 0.599E-02 RMM: 6 -0.327999876437E+03 0.13469E-04 -0.21383E-05 2526 0.141E-02 311 T= 5329. E= 0.67460757E+03 F= 0.62826911E+03 E0= 0.65680636E+03 EK= 0.43400E+02 SP= 0.26E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327502045627E+03 0.49784E+00 -0.87806E-02 7696 0.216E+01 0.295E-01 RMM: 2 -0.327526353592E+03 -0.24308E-01 -0.70007E-02 4968 0.662E-01 0.165E+00 RMM: 3 -0.327507317015E+03 0.19037E-01 -0.11790E-02 5345 0.265E-01 0.284E-01 RMM: 4 -0.327506730668E+03 0.58635E-03 -0.13225E-03 4728 0.742E-02 0.698E-02 RMM: 5 -0.327506730285E+03 0.38384E-06 -0.14539E-04 3934 0.293E-02 312 T= 5314. E= 0.67461204E+03 F= 0.62876226E+03 E0= 0.65727239E+03 EK= 0.43277E+02 SP= 0.21E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327398698924E+03 0.10803E+00 -0.88167E-02 7600 0.217E+01 0.218E-01 RMM: 2 -0.327415166894E+03 -0.16468E-01 -0.77470E-02 4941 0.661E-01 0.118E+00 RMM: 3 -0.327405429872E+03 0.97370E-02 -0.10180E-02 5418 0.224E-01 0.261E-01 RMM: 4 -0.327404946243E+03 0.48363E-03 -0.10305E-03 4690 0.675E-02 0.843E-02 RMM: 5 -0.327404922016E+03 0.24227E-04 -0.13395E-04 4000 0.282E-02 0.738E-02 RMM: 6 -0.327404888671E+03 0.33345E-04 -0.22991E-05 2563 0.142E-02 0.442E-02 RMM: 7 -0.327404892430E+03 -0.37590E-05 -0.17443E-05 2522 0.133E-02 313 T= 5351. E= 0.67461270E+03 F= 0.62886410E+03 E0= 0.65734581E+03 EK= 0.43579E+02 SP= 0.16E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327691085327E+03 -0.28620E+00 -0.96116E-02 7664 0.219E+01 0.211E-01 RMM: 2 -0.327705492362E+03 -0.14407E-01 -0.90429E-02 4680 0.744E-01 0.989E-01 RMM: 3 -0.327698789638E+03 0.67027E-02 -0.11462E-02 5544 0.223E-01 0.193E-01 RMM: 4 -0.327698503788E+03 0.28585E-03 -0.87766E-04 4776 0.638E-02 0.985E-02 RMM: 5 -0.327698506527E+03 -0.27392E-05 -0.14792E-04 3876 0.315E-02 314 T= 5442. E= 0.67460958E+03 F= 0.62857048E+03 E0= 0.65702221E+03 EK= 0.44315E+02 SP= 0.11E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328332111393E+03 -0.63361E+00 -0.91536E-02 7672 0.221E+01 0.160E-01 RMM: 2 -0.328344097810E+03 -0.11986E-01 -0.85066E-02 4943 0.692E-01 0.803E-01 RMM: 3 -0.328339600215E+03 0.44976E-02 -0.98623E-03 5663 0.195E-01 0.150E-01 RMM: 4 -0.328339380004E+03 0.22021E-03 -0.57338E-04 4720 0.517E-02 0.863E-02 RMM: 5 -0.328339318571E+03 0.61432E-04 -0.77464E-05 3585 0.244E-02 0.576E-02 RMM: 6 -0.328339302989E+03 0.15582E-04 -0.21252E-05 2521 0.137E-02 315 T= 5580. E= 0.67460331E+03 F= 0.62792969E+03 E0= 0.65635171E+03 EK= 0.45438E+02 SP= 0.53E+00 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329227980297E+03 -0.88866E+00 -0.99826E-02 7600 0.224E+01 0.206E-01 RMM: 2 -0.329245423404E+03 -0.17443E-01 -0.93090E-02 4760 0.744E-01 0.116E+00 RMM: 3 -0.329235950292E+03 0.94731E-02 -0.11699E-02 5493 0.231E-01 0.196E-01 RMM: 4 -0.329235639513E+03 0.31078E-03 -0.89608E-04 4842 0.610E-02 0.700E-02 RMM: 5 -0.329235607542E+03 0.31970E-04 -0.10856E-04 3902 0.276E-02 0.628E-02 RMM: 6 -0.329235588085E+03 0.19457E-04 -0.25319E-05 2557 0.147E-02 316 T= 5754. E= 0.67459532E+03 F= 0.62703340E+03 E0= 0.65542753E+03 EK= 0.46860E+02 SP= -.85E-01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330267664577E+03 -0.10321E+01 -0.96769E-02 7736 0.228E+01 0.314E-01 RMM: 2 -0.330295613263E+03 -0.27949E-01 -0.85927E-02 5042 0.734E-01 0.178E+00 RMM: 3 -0.330274087714E+03 0.21526E-01 -0.13259E-02 5384 0.278E-01 0.288E-01 RMM: 4 -0.330273515581E+03 0.57213E-03 -0.15109E-03 4747 0.800E-02 0.940E-02 RMM: 5 -0.330273480200E+03 0.35381E-04 -0.18132E-04 3883 0.330E-02 0.966E-02 RMM: 6 -0.330273422064E+03 0.58136E-04 -0.40155E-05 3003 0.195E-02 0.370E-02 RMM: 7 -0.330273419939E+03 0.21255E-05 -0.15148E-05 2498 0.121E-02 317 T= 5952. E= 0.67458741E+03 F= 0.62599557E+03 E0= 0.65436523E+03 EK= 0.48466E+02 SP= -.73E+00 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331332218865E+03 -0.10588E+01 -0.97609E-02 7776 0.231E+01 0.253E-01 RMM: 2 -0.331351596452E+03 -0.19378E-01 -0.79927E-02 5027 0.688E-01 0.136E+00 RMM: 3 -0.331338856050E+03 0.12740E-01 -0.10407E-02 5391 0.236E-01 0.297E-01 RMM: 4 -0.331338243766E+03 0.61228E-03 -0.12352E-03 4654 0.758E-02 0.879E-02 RMM: 5 -0.331338220241E+03 0.23525E-04 -0.16598E-04 3881 0.331E-02 0.868E-02 RMM: 6 -0.331338168401E+03 0.51839E-04 -0.32239E-05 2776 0.173E-02 0.360E-02 RMM: 7 -0.331338168322E+03 0.79406E-07 -0.19608E-05 2508 0.138E-02 318 T= 6157. E= 0.67458105E+03 F= 0.62493082E+03 E0= 0.65328077E+03 EK= 0.50141E+02 SP= -.14E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332328323396E+03 -0.99015E+00 -0.99056E-02 7776 0.235E+01 0.226E-01 RMM: 2 -0.332343546801E+03 -0.15223E-01 -0.83476E-02 5049 0.706E-01 0.113E+00 RMM: 3 -0.332334972504E+03 0.85743E-02 -0.98662E-03 5468 0.218E-01 0.173E-01 RMM: 4 -0.332334779828E+03 0.19268E-03 -0.83044E-04 4844 0.576E-02 0.991E-02 RMM: 5 -0.332334714349E+03 0.65479E-04 -0.10885E-04 3810 0.288E-02 0.696E-02 RMM: 6 -0.332334685921E+03 0.28428E-04 -0.27366E-05 2670 0.156E-02 0.364E-02 RMM: 7 -0.332334685465E+03 0.45550E-06 -0.15677E-05 2504 0.120E-02 319 T= 6359. E= 0.67457631E+03 F= 0.62393430E+03 E0= 0.65227021E+03 EK= 0.51781E+02 SP= -.21E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333187741974E+03 -0.85306E+00 -0.10725E-01 7800 0.238E+01 0.167E-01 RMM: 2 -0.333199975536E+03 -0.12234E-01 -0.97558E-02 4945 0.743E-01 0.742E-01 RMM: 3 -0.333196251717E+03 0.37238E-02 -0.11288E-02 5889 0.195E-01 0.140E-01 RMM: 4 -0.333195991970E+03 0.25975E-03 -0.57596E-04 4670 0.548E-02 0.103E-01 RMM: 5 -0.333195917438E+03 0.74533E-04 -0.92511E-05 3634 0.277E-02 0.528E-02 RMM: 6 -0.333195903742E+03 0.13695E-04 -0.21688E-05 2537 0.134E-02 320 T= 6547. E= 0.67457407E+03 F= 0.62307309E+03 E0= 0.65140051E+03 EK= 0.53315E+02 SP= -.27E+01 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333874646514E+03 -0.67873E+00 -0.11703E-01 7760 0.240E+01 0.168E-01 RMM: 2 -0.333890775719E+03 -0.16129E-01 -0.12196E-01 4806 0.826E-01 0.871E-01 RMM: 3 -0.333885586584E+03 0.51891E-02 -0.14735E-02 5919 0.220E-01 0.151E-01 RMM: 4 -0.333885212868E+03 0.37372E-03 -0.65373E-04 4874 0.576E-02 0.820E-02 RMM: 5 -0.333885163809E+03 0.49058E-04 -0.90585E-05 3746 0.270E-02 0.578E-02 RMM: 6 -0.333885150896E+03 0.12913E-04 -0.22096E-05 2541 0.137E-02 321 T= 6716. E= 0.67457315E+03 F= 0.62238384E+03 E0= 0.65070776E+03 EK= 0.54695E+02 SP= -.34E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334381928789E+03 -0.49676E+00 -0.11184E-01 7808 0.242E+01 0.242E-01 RMM: 2 -0.334400960174E+03 -0.19031E-01 -0.87641E-02 5035 0.716E-01 0.132E+00 RMM: 3 -0.334388985141E+03 0.11975E-01 -0.10876E-02 5449 0.235E-01 0.238E-01 RMM: 4 -0.334388559909E+03 0.42523E-03 -0.10594E-03 4700 0.677E-02 0.792E-02 RMM: 5 -0.334388532643E+03 0.27266E-04 -0.13010E-04 3959 0.283E-02 0.738E-02 RMM: 6 -0.334388499515E+03 0.33128E-04 -0.25043E-05 2582 0.152E-02 0.424E-02 RMM: 7 -0.334388503120E+03 -0.36052E-05 -0.20103E-05 2521 0.141E-02 322 T= 6864. E= 0.67457386E+03 F= 0.62188049E+03 E0= 0.65020455E+03 EK= 0.55898E+02 SP= -.41E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334703438078E+03 -0.31494E+00 -0.11982E-01 7592 0.244E+01 0.265E-01 RMM: 2 -0.334722922791E+03 -0.19485E-01 -0.11099E-01 4918 0.810E-01 0.123E+00 RMM: 3 -0.334712436377E+03 0.10486E-01 -0.13653E-02 5476 0.256E-01 0.258E-01 RMM: 4 -0.334711942958E+03 0.49342E-03 -0.12903E-03 4785 0.763E-02 0.103E-01 RMM: 5 -0.334711949353E+03 -0.63948E-05 -0.19169E-04 3888 0.350E-02 323 T= 6990. E= 0.67457478E+03 F= 0.62155704E+03 E0= 0.64988158E+03 EK= 0.56921E+02 SP= -.47E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334863678662E+03 -0.15174E+00 -0.11535E-01 7912 0.246E+01 0.134E-01 RMM: 2 -0.334874674745E+03 -0.10996E-01 -0.88946E-02 5168 0.676E-01 0.660E-01 RMM: 3 -0.334871145802E+03 0.35289E-02 -0.78058E-03 5674 0.180E-01 0.132E-01 RMM: 4 -0.334871006311E+03 0.13949E-03 -0.47095E-04 4647 0.446E-02 0.819E-02 RMM: 5 -0.334870955805E+03 0.50505E-04 -0.48394E-05 3001 0.209E-02 0.626E-02 RMM: 6 -0.334870946636E+03 0.91695E-05 -0.25691E-05 2556 0.154E-02 324 T= 7094. E= 0.67457553E+03 F= 0.62139804E+03 E0= 0.64972389E+03 EK= 0.57771E+02 SP= -.54E+01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334876602273E+03 -0.56465E-02 -0.12049E-01 7768 0.248E+01 0.253E-01 RMM: 2 -0.334901714350E+03 -0.25112E-01 -0.97453E-02 4795 0.746E-01 0.155E+00 RMM: 3 -0.334884477468E+03 0.17237E-01 -0.13041E-02 5415 0.266E-01 0.228E-01 RMM: 4 -0.334884130368E+03 0.34710E-03 -0.12847E-03 4901 0.708E-02 0.763E-02 RMM: 5 -0.334884109700E+03 0.20668E-04 -0.12750E-04 3839 0.301E-02 0.780E-02 RMM: 6 -0.334884072858E+03 0.36842E-04 -0.27546E-05 2611 0.158E-02 0.382E-02 RMM: 7 -0.334884073207E+03 -0.34824E-06 -0.15646E-05 2500 0.133E-02 325 T= 7179. E= 0.67457745E+03 F= 0.62138492E+03 E0= 0.64970999E+03 EK= 0.58460E+02 SP= -.60E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334766092083E+03 0.11798E+00 -0.12693E-01 7792 0.249E+01 0.332E-01 RMM: 2 -0.334800675541E+03 -0.34583E-01 -0.11363E-01 4965 0.814E-01 0.193E+00 RMM: 3 -0.334774896154E+03 0.25779E-01 -0.16037E-02 5397 0.302E-01 0.338E-01 RMM: 4 -0.334774061956E+03 0.83420E-03 -0.19405E-03 5084 0.938E-02 0.108E-01 RMM: 5 -0.334774065809E+03 -0.38522E-05 -0.25156E-04 3900 0.362E-02 0.120E-01 RMM: 6 -0.334773960477E+03 0.10533E-03 -0.55720E-05 3283 0.220E-02 0.418E-02 RMM: 7 -0.334773954257E+03 0.62200E-05 -0.17130E-05 2518 0.124E-02 326 T= 7246. E= 0.67457967E+03 F= 0.62149504E+03 E0= 0.64981625E+03 EK= 0.59004E+02 SP= -.66E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334555471484E+03 0.21849E+00 -0.13479E-01 7816 0.250E+01 0.232E-01 RMM: 2 -0.334578361687E+03 -0.22890E-01 -0.12949E-01 4749 0.851E-01 0.129E+00 RMM: 3 -0.334566549401E+03 0.11812E-01 -0.15692E-02 5545 0.268E-01 0.219E-01 RMM: 4 -0.334566159462E+03 0.38994E-03 -0.11840E-03 4901 0.710E-02 0.834E-02 RMM: 5 -0.334566130732E+03 0.28730E-04 -0.14589E-04 4049 0.313E-02 0.795E-02 RMM: 6 -0.334566092735E+03 0.37996E-04 -0.28450E-05 2600 0.157E-02 0.460E-02 RMM: 7 -0.334566093556E+03 -0.82106E-06 -0.20693E-05 2527 0.145E-02 327 T= 7297. E= 0.67458169E+03 F= 0.62170290E+03 E0= 0.65001828E+03 EK= 0.59424E+02 SP= -.71E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334275587768E+03 0.29050E+00 -0.14424E-01 7704 0.251E+01 0.205E-01 RMM: 2 -0.334294698821E+03 -0.19111E-01 -0.14425E-01 4780 0.887E-01 0.941E-01 RMM: 3 -0.334288125568E+03 0.65733E-02 -0.16600E-02 5744 0.255E-01 0.205E-01 RMM: 4 -0.334287685437E+03 0.44013E-03 -0.98838E-04 4842 0.700E-02 0.986E-02 RMM: 5 -0.334287651538E+03 0.33899E-04 -0.14915E-04 3950 0.325E-02 0.822E-02 RMM: 6 -0.334287608029E+03 0.43509E-04 -0.32867E-05 2806 0.173E-02 0.384E-02 RMM: 7 -0.334287607103E+03 0.92627E-06 -0.14917E-05 2493 0.127E-02 328 T= 7336. E= 0.67458398E+03 F= 0.62198138E+03 E0= 0.65028969E+03 EK= 0.59744E+02 SP= -.77E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333953973414E+03 0.33363E+00 -0.14123E-01 7736 0.252E+01 0.190E-01 RMM: 2 -0.333972540413E+03 -0.18567E-01 -0.14737E-01 4804 0.892E-01 0.866E-01 RMM: 3 -0.333966889535E+03 0.56509E-02 -0.17010E-02 5936 0.249E-01 0.167E-01 RMM: 4 -0.333966495321E+03 0.39421E-03 -0.81614E-04 4820 0.652E-02 0.100E-01 RMM: 5 -0.333966432107E+03 0.63214E-04 -0.11699E-04 3861 0.295E-02 0.721E-02 RMM: 6 -0.333966404885E+03 0.27222E-04 -0.28790E-05 2596 0.163E-02 0.464E-02 RMM: 7 -0.333966403631E+03 0.12546E-05 -0.23998E-05 2574 0.144E-02 329 T= 7366. E= 0.67458626E+03 F= 0.62230259E+03 E0= 0.65060473E+03 EK= 0.59987E+02 SP= -.82E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333615779965E+03 0.35062E+00 -0.14030E-01 7840 0.252E+01 0.204E-01 RMM: 2 -0.333635132618E+03 -0.19353E-01 -0.14671E-01 4847 0.883E-01 0.945E-01 RMM: 3 -0.333628428409E+03 0.67042E-02 -0.16467E-02 5803 0.251E-01 0.187E-01 RMM: 4 -0.333628032393E+03 0.39602E-03 -0.88702E-04 4879 0.655E-02 0.976E-02 RMM: 5 -0.333627988927E+03 0.43466E-04 -0.13042E-04 3882 0.316E-02 0.784E-02 RMM: 6 -0.333627952641E+03 0.36286E-04 -0.33315E-05 2849 0.175E-02 0.417E-02 RMM: 7 -0.333627954266E+03 -0.16250E-05 -0.20911E-05 2520 0.142E-02 330 T= 7390. E= 0.67458827E+03 F= 0.62264104E+03 E0= 0.65093927E+03 EK= 0.60177E+02 SP= -.86E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333280075456E+03 0.34788E+00 -0.14507E-01 7864 0.252E+01 0.210E-01 RMM: 2 -0.333298626970E+03 -0.18552E-01 -0.13562E-01 4931 0.847E-01 0.966E-01 RMM: 3 -0.333291509956E+03 0.71170E-02 -0.14553E-02 5851 0.241E-01 0.202E-01 RMM: 4 -0.333291107790E+03 0.40217E-03 -0.89006E-04 4720 0.681E-02 0.101E-01 RMM: 5 -0.333291057378E+03 0.50412E-04 -0.13384E-04 3845 0.301E-02 0.863E-02 RMM: 6 -0.333291014518E+03 0.42860E-04 -0.33884E-05 2837 0.178E-02 0.422E-02 RMM: 7 -0.333291015024E+03 -0.50585E-06 -0.19429E-05 2514 0.135E-02 331 T= 7409. E= 0.67458952E+03 F= 0.62297797E+03 E0= 0.65127556E+03 EK= 0.60331E+02 SP= -.91E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332950286602E+03 0.34073E+00 -0.14768E-01 8056 0.252E+01 0.204E-01 RMM: 2 -0.332967982208E+03 -0.17696E-01 -0.13955E-01 4995 0.859E-01 0.885E-01 RMM: 3 -0.332962076792E+03 0.59054E-02 -0.14691E-02 5874 0.240E-01 0.163E-01 RMM: 4 -0.332961761411E+03 0.31538E-03 -0.81226E-04 4943 0.608E-02 0.988E-02 RMM: 5 -0.332961713788E+03 0.47624E-04 -0.11144E-04 3798 0.294E-02 0.778E-02 RMM: 6 -0.332961679105E+03 0.34683E-04 -0.29731E-05 2686 0.165E-02 0.429E-02 RMM: 7 -0.332961683436E+03 -0.43313E-05 -0.25793E-05 2543 0.155E-02 332 T= 7423. E= 0.67458959E+03 F= 0.62330731E+03 E0= 0.65160815E+03 EK= 0.60452E+02 SP= -.95E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332617349239E+03 0.34433E+00 -0.14374E-01 8128 0.251E+01 0.216E-01 RMM: 2 -0.332635970910E+03 -0.18622E-01 -0.13617E-01 5058 0.836E-01 0.974E-01 RMM: 3 -0.332628758036E+03 0.72129E-02 -0.13699E-02 5832 0.234E-01 0.213E-01 RMM: 4 -0.332628331642E+03 0.42639E-03 -0.91332E-04 4716 0.679E-02 0.997E-02 RMM: 5 -0.332628289359E+03 0.42283E-04 -0.13818E-04 3879 0.300E-02 0.885E-02 RMM: 6 -0.332628243297E+03 0.46062E-04 -0.36144E-05 2944 0.183E-02 0.398E-02 RMM: 7 -0.332628247399E+03 -0.41024E-05 -0.19627E-05 2525 0.134E-02 333 T= 7433. E= 0.67458811E+03 F= 0.62364074E+03 E0= 0.65194826E+03 EK= 0.60528E+02 SP= -.98E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332248370155E+03 0.37987E+00 -0.14573E-01 8352 0.251E+01 0.209E-01 RMM: 2 -0.332265693227E+03 -0.17323E-01 -0.13531E-01 5167 0.814E-01 0.892E-01 RMM: 3 -0.332259357955E+03 0.63353E-02 -0.12590E-02 5903 0.225E-01 0.173E-01 RMM: 4 -0.332259060264E+03 0.29769E-03 -0.79155E-04 4913 0.589E-02 0.100E-01 RMM: 5 -0.332259011608E+03 0.48656E-04 -0.10565E-04 3721 0.275E-02 0.802E-02 RMM: 6 -0.332258976086E+03 0.35522E-04 -0.28727E-05 2713 0.162E-02 0.455E-02 RMM: 7 -0.332258981821E+03 -0.57349E-05 -0.28557E-05 2594 0.159E-02 334 T= 7433. E= 0.67458522E+03 F= 0.62401001E+03 E0= 0.65232694E+03 EK= 0.60527E+02 SP= -.10E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331797276666E+03 0.46170E+00 -0.14696E-01 8336 0.251E+01 0.204E-01 RMM: 2 -0.331815005272E+03 -0.17729E-01 -0.13326E-01 5257 0.790E-01 0.924E-01 RMM: 3 -0.331808057849E+03 0.69474E-02 -0.11548E-02 5852 0.217E-01 0.192E-01 RMM: 4 -0.331807747626E+03 0.31022E-03 -0.82666E-04 4706 0.633E-02 0.107E-01 RMM: 5 -0.331807685195E+03 0.62431E-04 -0.11812E-04 3749 0.275E-02 0.815E-02 RMM: 6 -0.331807650352E+03 0.34842E-04 -0.29403E-05 2763 0.168E-02 0.450E-02 RMM: 7 -0.331807654739E+03 -0.43865E-05 -0.20901E-05 2554 0.136E-02 335 T= 7417. E= 0.67458203E+03 F= 0.62446133E+03 E0= 0.65278928E+03 EK= 0.60402E+02 SP= -.10E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331215394824E+03 0.59226E+00 -0.14538E-01 8640 0.251E+01 0.204E-01 RMM: 2 -0.331232794186E+03 -0.17399E-01 -0.13815E-01 5350 0.794E-01 0.883E-01 RMM: 3 -0.331226362373E+03 0.64318E-02 -0.11706E-02 6004 0.218E-01 0.163E-01 RMM: 4 -0.331226119670E+03 0.24270E-03 -0.74553E-04 4857 0.570E-02 0.110E-01 RMM: 5 -0.331226052658E+03 0.67012E-04 -0.93453E-05 3659 0.251E-02 0.795E-02 RMM: 6 -0.331226022902E+03 0.29756E-04 -0.25408E-05 2604 0.154E-02 0.545E-02 RMM: 7 -0.331226023554E+03 -0.65213E-06 -0.37864E-05 2792 0.175E-02 336 T= 7381. E= 0.67458002E+03 F= 0.62504297E+03 E0= 0.65338360E+03 EK= 0.60106E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330473602784E+03 0.75242E+00 -0.14533E-01 8632 0.250E+01 0.184E-01 RMM: 2 -0.330490574014E+03 -0.16971E-01 -0.13952E-01 5457 0.786E-01 0.797E-01 RMM: 3 -0.330484993904E+03 0.55801E-02 -0.11763E-02 5943 0.209E-01 0.165E-01 RMM: 4 -0.330484767752E+03 0.22615E-03 -0.73623E-04 4745 0.589E-02 0.120E-01 RMM: 5 -0.330484674793E+03 0.92960E-04 -0.10652E-04 3642 0.253E-02 0.738E-02 RMM: 6 -0.330484653134E+03 0.21659E-04 -0.23709E-05 2606 0.152E-02 0.532E-02 RMM: 7 -0.330484653750E+03 -0.61616E-06 -0.28235E-05 2638 0.149E-02 337 T= 7320. E= 0.67457997E+03 F= 0.62578434E+03 E0= 0.65413912E+03 EK= 0.59613E+02 SP= -.11E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329577218884E+03 0.90743E+00 -0.15005E-01 8848 0.249E+01 0.199E-01 RMM: 2 -0.329595684560E+03 -0.18466E-01 -0.14785E-01 5510 0.798E-01 0.881E-01 RMM: 3 -0.329589090275E+03 0.65943E-02 -0.11919E-02 6065 0.213E-01 0.174E-01 RMM: 4 -0.329588833887E+03 0.25639E-03 -0.73514E-04 4815 0.569E-02 0.111E-01 RMM: 5 -0.329588762026E+03 0.71862E-04 -0.95974E-05 3620 0.242E-02 0.818E-02 RMM: 6 -0.329588734894E+03 0.27132E-04 -0.27937E-05 2663 0.159E-02 0.601E-02 RMM: 7 -0.329588737815E+03 -0.29207E-05 -0.39506E-05 2808 0.176E-02 338 T= 7237. E= 0.67458302E+03 F= 0.62668025E+03 E0= 0.65505028E+03 EK= 0.58931E+02 SP= -.11E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328575602712E+03 0.10131E+01 -0.16063E-01 8952 0.248E+01 0.199E-01 RMM: 2 -0.328595117883E+03 -0.19515E-01 -0.16016E-01 5403 0.835E-01 0.854E-01 RMM: 3 -0.328588637335E+03 0.64805E-02 -0.12773E-02 6014 0.220E-01 0.171E-01 RMM: 4 -0.328588365776E+03 0.27156E-03 -0.77250E-04 4834 0.598E-02 0.122E-01 RMM: 5 -0.328588269023E+03 0.96753E-04 -0.10518E-04 3697 0.255E-02 0.740E-02 RMM: 6 -0.328588248697E+03 0.20326E-04 -0.24048E-05 2586 0.151E-02 0.548E-02 RMM: 7 -0.328588252241E+03 -0.35436E-05 -0.31356E-05 2663 0.156E-02 339 T= 7136. E= 0.67458853E+03 F= 0.62768074E+03 E0= 0.65606423E+03 EK= 0.58113E+02 SP= -.11E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327560308561E+03 0.10279E+01 -0.16760E-01 8952 0.246E+01 0.217E-01 RMM: 2 -0.327581857072E+03 -0.21549E-01 -0.16267E-01 5576 0.835E-01 0.101E+00 RMM: 3 -0.327573402111E+03 0.84550E-02 -0.11546E-02 5806 0.220E-01 0.202E-01 RMM: 4 -0.327573087529E+03 0.31458E-03 -0.89119E-04 4879 0.622E-02 0.110E-01 RMM: 5 -0.327573023237E+03 0.64292E-04 -0.11930E-04 3774 0.273E-02 0.899E-02 RMM: 6 -0.327572983098E+03 0.40138E-04 -0.32350E-05 2901 0.173E-02 0.558E-02 RMM: 7 -0.327572987664E+03 -0.45659E-05 -0.37589E-05 2698 0.172E-02 340 T= 7031. E= 0.67459600E+03 F= 0.62869600E+03 E0= 0.65709028E+03 EK= 0.57253E+02 SP= -.11E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326645063791E+03 0.92792E+00 -0.17093E-01 8920 0.244E+01 0.219E-01 RMM: 2 -0.326667306777E+03 -0.22243E-01 -0.17061E-01 5413 0.876E-01 0.996E-01 RMM: 3 -0.326659236057E+03 0.80707E-02 -0.14144E-02 5909 0.234E-01 0.196E-01 RMM: 4 -0.326658855443E+03 0.38061E-03 -0.91493E-04 4853 0.645E-02 0.108E-01 RMM: 5 -0.326658784278E+03 0.71165E-04 -0.12363E-04 3883 0.273E-02 0.777E-02 RMM: 6 -0.326658758581E+03 0.25698E-04 -0.26977E-05 2646 0.157E-02 0.546E-02 RMM: 7 -0.326658764243E+03 -0.56624E-05 -0.29939E-05 2644 0.158E-02 341 T= 6934. E= 0.67460355E+03 F= 0.62961023E+03 E0= 0.65800968E+03 EK= 0.56471E+02 SP= -.12E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325951528597E+03 0.70723E+00 -0.16968E-01 8912 0.243E+01 0.210E-01 RMM: 2 -0.325972424877E+03 -0.20896E-01 -0.16232E-01 5454 0.855E-01 0.959E-01 RMM: 3 -0.325965036616E+03 0.73883E-02 -0.12812E-02 5810 0.227E-01 0.195E-01 RMM: 4 -0.325964693632E+03 0.34298E-03 -0.86010E-04 4872 0.621E-02 0.105E-01 RMM: 5 -0.325964641123E+03 0.52508E-04 -0.12322E-04 3806 0.280E-02 0.876E-02 RMM: 6 -0.325964599621E+03 0.41502E-04 -0.33206E-05 2897 0.174E-02 0.510E-02 RMM: 7 -0.325964607651E+03 -0.80299E-05 -0.37062E-05 2705 0.176E-02 342 T= 6863. E= 0.67460953E+03 F= 0.63030438E+03 E0= 0.65870280E+03 EK= 0.55887E+02 SP= -.12E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325578866742E+03 0.38573E+00 -0.17230E-01 8864 0.243E+01 0.226E-01 RMM: 2 -0.325601013269E+03 -0.22147E-01 -0.15740E-01 5263 0.870E-01 0.109E+00 RMM: 3 -0.325592016803E+03 0.89965E-02 -0.13832E-02 5772 0.240E-01 0.219E-01 RMM: 4 -0.325591592287E+03 0.42452E-03 -0.97994E-04 4777 0.675E-02 0.991E-02 RMM: 5 -0.325591541554E+03 0.50733E-04 -0.13952E-04 3925 0.292E-02 0.830E-02 RMM: 6 -0.325591504130E+03 0.37424E-04 -0.32094E-05 2874 0.169E-02 0.504E-02 RMM: 7 -0.325591511564E+03 -0.74339E-05 -0.28816E-05 2601 0.159E-02 343 T= 6828. E= 0.67461340E+03 F= 0.63067748E+03 E0= 0.65906681E+03 EK= 0.55607E+02 SP= -.12E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325596543364E+03 -0.50392E-02 -0.16247E-01 8976 0.244E+01 0.220E-01 RMM: 2 -0.325616202608E+03 -0.19659E-01 -0.14431E-01 5361 0.823E-01 0.101E+00 RMM: 3 -0.325608388584E+03 0.78140E-02 -0.12490E-02 5723 0.228E-01 0.209E-01 RMM: 4 -0.325608017598E+03 0.37099E-03 -0.89891E-04 4857 0.627E-02 0.996E-02 RMM: 5 -0.325607966232E+03 0.51365E-04 -0.12129E-04 3812 0.280E-02 0.878E-02 RMM: 6 -0.325607923988E+03 0.42245E-04 -0.32939E-05 2902 0.172E-02 0.529E-02 RMM: 7 -0.325607929151E+03 -0.51636E-05 -0.37554E-05 2762 0.178E-02 344 T= 6840. E= 0.67461445E+03 F= 0.63066106E+03 E0= 0.65903617E+03 EK= 0.55701E+02 SP= -.12E+02 SK= 0.87E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326030805185E+03 -0.42288E+00 -0.15198E-01 8560 0.246E+01 0.235E-01 RMM: 2 -0.326052990444E+03 -0.22185E-01 -0.14932E-01 5207 0.853E-01 0.114E+00 RMM: 3 -0.326043194831E+03 0.97956E-02 -0.14477E-02 5739 0.247E-01 0.238E-01 RMM: 4 -0.326042719752E+03 0.47508E-03 -0.10552E-03 4810 0.687E-02 0.102E-01 RMM: 5 -0.326042659116E+03 0.60636E-04 -0.14051E-04 3865 0.301E-02 0.866E-02 RMM: 6 -0.326042617362E+03 0.41754E-04 -0.32545E-05 2867 0.170E-02 0.570E-02 RMM: 7 -0.326042620128E+03 -0.27657E-05 -0.36401E-05 2682 0.176E-02 345 T= 6901. E= 0.67461238E+03 F= 0.63022637E+03 E0= 0.65858345E+03 EK= 0.56196E+02 SP= -.12E+02 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326871756535E+03 -0.82914E+00 -0.14331E-01 8560 0.249E+01 0.221E-01 RMM: 2 -0.326890084939E+03 -0.18328E-01 -0.13227E-01 5387 0.798E-01 0.101E+00 RMM: 3 -0.326882454808E+03 0.76301E-02 -0.11510E-02 5838 0.219E-01 0.211E-01 RMM: 4 -0.326882086881E+03 0.36793E-03 -0.84832E-04 4815 0.612E-02 0.102E-01 RMM: 5 -0.326882022722E+03 0.64159E-04 -0.11065E-04 3759 0.267E-02 0.867E-02 RMM: 6 -0.326881987703E+03 0.35019E-04 -0.29080E-05 2769 0.164E-02 0.604E-02 RMM: 7 -0.326881988987E+03 -0.12844E-05 -0.36330E-05 2690 0.168E-02 346 T= 7009. E= 0.67460722E+03 F= 0.62938700E+03 E0= 0.65772533E+03 EK= 0.57077E+02 SP= -.12E+02 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328062526587E+03 -0.11805E+01 -0.13973E-01 8272 0.253E+01 0.221E-01 RMM: 2 -0.328081200125E+03 -0.18674E-01 -0.12767E-01 5329 0.788E-01 0.105E+00 RMM: 3 -0.328072935629E+03 0.82645E-02 -0.11320E-02 5702 0.219E-01 0.212E-01 RMM: 4 -0.328072588041E+03 0.34759E-03 -0.89287E-04 4770 0.631E-02 0.108E-01 RMM: 5 -0.328072516384E+03 0.71657E-04 -0.12244E-04 3818 0.283E-02 0.840E-02 RMM: 6 -0.328072480704E+03 0.35680E-04 -0.29146E-05 2764 0.163E-02 0.584E-02 RMM: 7 -0.328072481943E+03 -0.12388E-05 -0.33432E-05 2652 0.162E-02 347 T= 7158. E= 0.67460057E+03 F= 0.62819651E+03 E0= 0.65651584E+03 EK= 0.58287E+02 SP= -.12E+02 SK= 0.28E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329524259760E+03 -0.14518E+01 -0.13252E-01 8024 0.257E+01 0.216E-01 RMM: 2 -0.329540326994E+03 -0.16067E-01 -0.12296E-01 5254 0.803E-01 0.912E-01 RMM: 3 -0.329534436208E+03 0.58908E-02 -0.11968E-02 5799 0.217E-01 0.183E-01 RMM: 4 -0.329534126454E+03 0.30975E-03 -0.78085E-04 4802 0.598E-02 0.118E-01 RMM: 5 -0.329534039048E+03 0.87405E-04 -0.11284E-04 3815 0.277E-02 0.858E-02 RMM: 6 -0.329534003715E+03 0.35333E-04 -0.31139E-05 2828 0.168E-02 0.587E-02 RMM: 7 -0.329533996319E+03 0.73961E-05 -0.43420E-05 2785 0.182E-02 348 T= 7336. E= 0.67459206E+03 F= 0.62673499E+03 E0= 0.65503760E+03 EK= 0.59739E+02 SP= -.12E+02 SK= 0.56E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331151210504E+03 -0.16172E+01 -0.12962E-01 7824 0.261E+01 0.220E-01 RMM: 2 -0.331167937703E+03 -0.16727E-01 -0.11449E-01 5358 0.779E-01 0.102E+00 RMM: 3 -0.331160582129E+03 0.73556E-02 -0.10483E-02 5773 0.205E-01 0.203E-01 RMM: 4 -0.331160237423E+03 0.34471E-03 -0.79695E-04 4667 0.629E-02 0.117E-01 RMM: 5 -0.331160150805E+03 0.86618E-04 -0.12650E-04 3845 0.290E-02 0.835E-02 RMM: 6 -0.331160116666E+03 0.34139E-04 -0.28802E-05 2745 0.165E-02 0.568E-02 RMM: 7 -0.331160116160E+03 0.50573E-06 -0.31240E-05 2633 0.155E-02 349 T= 7530. E= 0.67458208E+03 F= 0.62510887E+03 E0= 0.65339726E+03 EK= 0.61318E+02 SP= -.12E+02 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332806661527E+03 -0.16465E+01 -0.13345E-01 7840 0.264E+01 0.203E-01 RMM: 2 -0.332823239652E+03 -0.16578E-01 -0.13603E-01 5134 0.854E-01 0.833E-01 RMM: 3 -0.332818263809E+03 0.49758E-02 -0.13795E-02 5873 0.224E-01 0.170E-01 RMM: 4 -0.332817952919E+03 0.31089E-03 -0.73963E-04 4799 0.609E-02 0.130E-01 RMM: 5 -0.332817831850E+03 0.12107E-03 -0.12068E-04 3831 0.294E-02 0.784E-02 RMM: 6 -0.332817806985E+03 0.24865E-04 -0.31213E-05 2772 0.167E-02 0.592E-02 RMM: 7 -0.332817794123E+03 0.12862E-04 -0.40930E-05 2682 0.176E-02 350 T= 7721. E= 0.67456986E+03 F= 0.62345120E+03 E0= 0.65172948E+03 EK= 0.62878E+02 SP= -.12E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334333876573E+03 -0.15161E+01 -0.13388E-01 7840 0.268E+01 0.216E-01 RMM: 2 -0.334350653365E+03 -0.16777E-01 -0.12439E-01 5380 0.809E-01 0.959E-01 RMM: 3 -0.334344147644E+03 0.65057E-02 -0.11131E-02 5849 0.205E-01 0.186E-01 RMM: 4 -0.334343849959E+03 0.29768E-03 -0.78382E-04 4658 0.642E-02 0.145E-01 RMM: 5 -0.334343703764E+03 0.14620E-03 -0.14516E-04 3883 0.313E-02 0.810E-02 RMM: 6 -0.334343678224E+03 0.25540E-04 -0.29157E-05 2741 0.163E-02 0.649E-02 RMM: 7 -0.334343664310E+03 0.13914E-04 -0.38454E-05 2663 0.170E-02 351 T= 7889. E= 0.67455613E+03 F= 0.62192532E+03 E0= 0.65019767E+03 EK= 0.64247E+02 SP= -.12E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335542980308E+03 -0.11993E+01 -0.14899E-01 8400 0.271E+01 0.211E-01 RMM: 2 -0.335559757234E+03 -0.16777E-01 -0.14098E-01 5308 0.862E-01 0.824E-01 RMM: 3 -0.335554791878E+03 0.49654E-02 -0.12918E-02 5940 0.219E-01 0.178E-01 RMM: 4 -0.335554495317E+03 0.29656E-03 -0.74890E-04 4762 0.618E-02 0.150E-01 RMM: 5 -0.335554336249E+03 0.15907E-03 -0.13511E-04 3883 0.305E-02 0.845E-02 RMM: 6 -0.335554312854E+03 0.23394E-04 -0.31885E-05 2775 0.168E-02 0.707E-02 RMM: 7 -0.335554281746E+03 0.31109E-04 -0.58830E-05 3108 0.200E-02 0.651E-02 RMM: 8 -0.335554256772E+03 0.24973E-04 -0.36021E-05 2651 0.164E-02 0.371E-02 RMM: 9 -0.335554266564E+03 -0.97920E-05 -0.33005E-05 2630 0.149E-02 352 T= 8011. E= 0.67454284E+03 F= 0.62071472E+03 E0= 0.64898705E+03 EK= 0.65234E+02 SP= -.11E+02 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336261479742E+03 -0.70722E+00 -0.15035E-01 8728 0.273E+01 0.248E-01 RMM: 2 -0.336278294358E+03 -0.16815E-01 -0.14843E-01 5367 0.893E-01 0.810E-01 RMM: 3 -0.336273615587E+03 0.46788E-02 -0.13478E-02 5922 0.220E-01 0.192E-01 RMM: 4 -0.336273464936E+03 0.15065E-03 -0.98211E-04 4666 0.748E-02 0.238E-01 RMM: 5 -0.336273069294E+03 0.39564E-03 -0.25786E-04 3912 0.429E-02 0.823E-02 RMM: 6 -0.336273034608E+03 0.34686E-04 -0.51343E-05 3237 0.209E-02 0.545E-02 RMM: 7 -0.336273019479E+03 0.15129E-04 -0.30907E-05 2625 0.161E-02 353 T= 8063. E= 0.67453255E+03 F= 0.61999597E+03 E0= 0.64827220E+03 EK= 0.65658E+02 SP= -.11E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336354823124E+03 -0.81789E-01 -0.15319E-01 8832 0.275E+01 0.199E-01 RMM: 2 -0.336371412661E+03 -0.16590E-01 -0.13828E-01 5530 0.851E-01 0.815E-01 RMM: 3 -0.336366523877E+03 0.48888E-02 -0.10864E-02 5999 0.201E-01 0.197E-01 RMM: 4 -0.336366153075E+03 0.37080E-03 -0.64248E-04 4720 0.570E-02 0.125E-01 RMM: 5 -0.336366051527E+03 0.10155E-03 -0.10232E-04 3752 0.256E-02 0.947E-02 RMM: 6 -0.336366042226E+03 0.93002E-05 -0.44702E-05 3051 0.187E-02 354 T= 8029. E= 0.67452775E+03 F= 0.61990295E+03 E0= 0.64818633E+03 EK= 0.65388E+02 SP= -.11E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335764303629E+03 0.60175E+00 -0.16321E-01 8640 0.274E+01 0.279E-01 RMM: 2 -0.335792624319E+03 -0.28321E-01 -0.14599E-01 5316 0.862E-01 0.152E+00 RMM: 3 -0.335775892812E+03 0.16732E-01 -0.13825E-02 5435 0.265E-01 0.257E-01 RMM: 4 -0.335775453495E+03 0.43932E-03 -0.13320E-03 4830 0.759E-02 0.114E-01 RMM: 5 -0.335775375687E+03 0.77808E-04 -0.15555E-04 4138 0.305E-02 0.841E-02 RMM: 6 -0.335775350951E+03 0.24736E-04 -0.29558E-05 2647 0.161E-02 0.671E-02 RMM: 7 -0.335775372784E+03 -0.21833E-04 -0.73863E-05 3598 0.228E-02 0.931E-02 RMM: 8 -0.335775317018E+03 0.55766E-04 -0.79519E-05 3741 0.211E-02 0.281E-02 RMM: 9 -0.335775324931E+03 -0.79134E-05 -0.20461E-05 2569 0.131E-02 355 T= 7905. E= 0.67452997E+03 F= 0.62049366E+03 E0= 0.64878840E+03 EK= 0.64373E+02 SP= -.11E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334532390263E+03 0.12429E+01 -0.17763E-01 8624 0.270E+01 0.311E-01 RMM: 2 -0.334563072232E+03 -0.30682E-01 -0.15549E-01 5219 0.904E-01 0.161E+00 RMM: 3 -0.334544562478E+03 0.18510E-01 -0.15571E-02 5543 0.277E-01 0.256E-01 RMM: 4 -0.334544261115E+03 0.30136E-03 -0.17356E-03 4963 0.937E-02 0.197E-01 RMM: 5 -0.334544037852E+03 0.22326E-03 -0.26160E-04 3900 0.395E-02 0.119E-01 RMM: 6 -0.334543961021E+03 0.76830E-04 -0.64472E-05 3416 0.232E-02 0.611E-02 RMM: 7 -0.334543994167E+03 -0.33146E-04 -0.78384E-05 3702 0.228E-02 0.965E-02 RMM: 8 -0.334543938310E+03 0.55857E-04 -0.71816E-05 3590 0.209E-02 0.265E-02 RMM: 9 -0.334543947014E+03 -0.87039E-05 -0.19872E-05 2541 0.127E-02 356 T= 7696. E= 0.67454038E+03 F= 0.62172504E+03 E0= 0.65002955E+03 EK= 0.62670E+02 SP= -.10E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332810587999E+03 0.17334E+01 -0.18236E-01 8288 0.264E+01 0.264E-01 RMM: 2 -0.332834910589E+03 -0.24323E-01 -0.15846E-01 5320 0.931E-01 0.124E+00 RMM: 3 -0.332823799263E+03 0.11111E-01 -0.14913E-02 5606 0.267E-01 0.232E-01 RMM: 4 -0.332823458372E+03 0.34089E-03 -0.11726E-03 4799 0.772E-02 0.155E-01 RMM: 5 -0.332823300505E+03 0.15787E-03 -0.17103E-04 3903 0.343E-02 0.920E-02 RMM: 6 -0.332823262010E+03 0.38495E-04 -0.34511E-05 2816 0.179E-02 0.614E-02 RMM: 7 -0.332823259067E+03 0.29423E-05 -0.33385E-05 2659 0.168E-02 357 T= 7423. E= 0.67455647E+03 F= 0.62344573E+03 E0= 0.65176037E+03 EK= 0.60445E+02 SP= -.98E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330822925608E+03 0.20003E+01 -0.16753E-01 8656 0.258E+01 0.232E-01 RMM: 2 -0.330845260934E+03 -0.22335E-01 -0.15696E-01 5352 0.944E-01 0.109E+00 RMM: 3 -0.330836732237E+03 0.85287E-02 -0.15386E-02 5542 0.267E-01 0.260E-01 RMM: 4 -0.330836249322E+03 0.48292E-03 -0.10825E-03 4827 0.734E-02 0.123E-01 RMM: 5 -0.330836162556E+03 0.86765E-04 -0.13698E-04 3983 0.311E-02 0.922E-02 RMM: 6 -0.330836149368E+03 0.13188E-04 -0.32901E-05 2685 0.172E-02 358 T= 7114. E= 0.67457315E+03 F= 0.62543284E+03 E0= 0.65375670E+03 EK= 0.57935E+02 SP= -.93E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328790596685E+03 0.20456E+01 -0.14766E-01 7976 0.251E+01 0.291E-01 RMM: 2 -0.328820740831E+03 -0.30144E-01 -0.15417E-01 5070 0.937E-01 0.156E+00 RMM: 3 -0.328803738964E+03 0.17002E-01 -0.18713E-02 5418 0.314E-01 0.303E-01 RMM: 4 -0.328803151931E+03 0.58703E-03 -0.16209E-03 4992 0.833E-02 0.130E-01 RMM: 5 -0.328803063789E+03 0.88142E-04 -0.17661E-04 4110 0.344E-02 0.101E-01 RMM: 6 -0.328803037865E+03 0.25924E-04 -0.36541E-05 2775 0.182E-02 0.868E-02 RMM: 7 -0.328803068736E+03 -0.30871E-04 -0.80147E-05 3708 0.235E-02 0.110E-01 RMM: 8 -0.328803007012E+03 0.61724E-04 -0.14890E-04 3887 0.266E-02 0.509E-02 RMM: 9 -0.328803008643E+03 -0.16304E-05 -0.41911E-05 3046 0.180E-02 359 T= 6800. E= 0.67458522E+03 F= 0.62746598E+03 E0= 0.65579739E+03 EK= 0.55372E+02 SP= -.88E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326864017964E+03 0.19390E+01 -0.13141E-01 7728 0.245E+01 0.349E-01 RMM: 2 -0.326893526747E+03 -0.29509E-01 -0.12434E-01 4765 0.868E-01 0.169E+00 RMM: 3 -0.326873739917E+03 0.19787E-01 -0.17353E-02 5408 0.308E-01 0.334E-01 RMM: 4 -0.326873190948E+03 0.54897E-03 -0.22228E-03 5283 0.105E-01 0.207E-01 RMM: 5 -0.326873073489E+03 0.11746E-03 -0.34472E-04 3939 0.460E-02 0.165E-01 RMM: 6 -0.326872896363E+03 0.17713E-03 -0.10460E-04 3729 0.299E-02 0.489E-02 RMM: 7 -0.326872899396E+03 -0.30335E-05 -0.30646E-05 2766 0.160E-02 360 T= 6498. E= 0.67459073E+03 F= 0.62939609E+03 E0= 0.65773651E+03 EK= 0.52917E+02 SP= -.83E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325093188595E+03 0.17797E+01 -0.12089E-01 7776 0.241E+01 0.221E-01 RMM: 2 -0.325111118011E+03 -0.17929E-01 -0.10217E-01 5029 0.757E-01 0.114E+00 RMM: 3 -0.325101607796E+03 0.95102E-02 -0.11961E-02 5479 0.236E-01 0.197E-01 RMM: 4 -0.325101324118E+03 0.28368E-03 -0.89946E-04 4817 0.618E-02 0.922E-02 RMM: 5 -0.325101287504E+03 0.36614E-04 -0.10535E-04 3765 0.278E-02 0.827E-02 RMM: 6 -0.325101249167E+03 0.38337E-04 -0.28178E-05 2621 0.162E-02 0.436E-02 RMM: 7 -0.325101256822E+03 -0.76549E-05 -0.21428E-05 2536 0.141E-02 361 T= 6219. E= 0.67459339E+03 F= 0.63116773E+03 E0= 0.65951767E+03 EK= 0.50642E+02 SP= -.77E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323486247577E+03 0.16150E+01 -0.12120E-01 8320 0.236E+01 0.252E-01 RMM: 2 -0.323506979063E+03 -0.20731E-01 -0.11494E-01 5055 0.791E-01 0.126E+00 RMM: 3 -0.323495487050E+03 0.11492E-01 -0.13552E-02 5539 0.253E-01 0.220E-01 RMM: 4 -0.323495153243E+03 0.33381E-03 -0.11077E-03 4745 0.702E-02 0.110E-01 RMM: 5 -0.323495096470E+03 0.56773E-04 -0.13761E-04 3923 0.299E-02 0.848E-02 RMM: 6 -0.323495055319E+03 0.41151E-04 -0.29584E-05 2743 0.166E-02 0.442E-02 RMM: 7 -0.323495057154E+03 -0.18351E-05 -0.17340E-05 2513 0.135E-02 362 T= 5964. E= 0.67459688E+03 F= 0.63277393E+03 E0= 0.66113292E+03 EK= 0.48564E+02 SP= -.72E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322062497418E+03 0.14326E+01 -0.12171E-01 8400 0.232E+01 0.225E-01 RMM: 2 -0.322081020963E+03 -0.18524E-01 -0.12568E-01 5216 0.801E-01 0.104E+00 RMM: 3 -0.322072896299E+03 0.81247E-02 -0.13137E-02 5672 0.235E-01 0.196E-01 RMM: 4 -0.322072595793E+03 0.30051E-03 -0.89603E-04 4853 0.627E-02 0.120E-01 RMM: 5 -0.322072509561E+03 0.86232E-04 -0.10632E-04 3821 0.267E-02 0.826E-02 RMM: 6 -0.322072484362E+03 0.25199E-04 -0.26930E-05 2604 0.159E-02 0.614E-02 RMM: 7 -0.322072495355E+03 -0.10993E-04 -0.35485E-05 2741 0.169E-02 363 T= 5736. E= 0.67460250E+03 F= 0.63419649E+03 E0= 0.66256635E+03 EK= 0.46709E+02 SP= -.68E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320878427239E+03 0.11941E+01 -0.11412E-01 8456 0.227E+01 0.245E-01 RMM: 2 -0.320897745823E+03 -0.19319E-01 -0.12359E-01 5145 0.796E-01 0.114E+00 RMM: 3 -0.320888468003E+03 0.92778E-02 -0.13378E-02 5759 0.237E-01 0.249E-01 RMM: 4 -0.320887971360E+03 0.49664E-03 -0.10288E-03 4734 0.704E-02 0.111E-01 RMM: 5 -0.320887933424E+03 0.37936E-04 -0.14950E-04 3887 0.301E-02 0.103E-01 RMM: 6 -0.320887878458E+03 0.54967E-04 -0.37649E-05 2992 0.189E-02 0.542E-02 RMM: 7 -0.320887883659E+03 -0.52012E-05 -0.22472E-05 2560 0.145E-02 364 T= 5542. E= 0.67460944E+03 F= 0.63538111E+03 E0= 0.66376297E+03 EK= 0.45134E+02 SP= -.63E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320011303219E+03 0.87658E+00 -0.10695E-01 8400 0.222E+01 0.214E-01 RMM: 2 -0.320029272429E+03 -0.17969E-01 -0.12343E-01 5183 0.779E-01 0.101E+00 RMM: 3 -0.320021495575E+03 0.77769E-02 -0.12579E-02 5784 0.222E-01 0.212E-01 RMM: 4 -0.320021100353E+03 0.39522E-03 -0.87212E-04 4759 0.648E-02 0.104E-01 RMM: 5 -0.320021037271E+03 0.63082E-04 -0.11910E-04 3855 0.269E-02 0.790E-02 RMM: 6 -0.320021007731E+03 0.29540E-04 -0.26297E-05 2652 0.158E-02 0.510E-02 RMM: 7 -0.320021012580E+03 -0.48490E-05 -0.24819E-05 2586 0.145E-02 365 T= 5393. E= 0.67461601E+03 F= 0.63624798E+03 E0= 0.66464585E+03 EK= 0.43919E+02 SP= -.59E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319542029412E+03 0.47898E+00 -0.10532E-01 8200 0.219E+01 0.216E-01 RMM: 2 -0.319559331575E+03 -0.17302E-01 -0.11675E-01 5143 0.777E-01 0.103E+00 RMM: 3 -0.319551635297E+03 0.76963E-02 -0.11977E-02 5771 0.222E-01 0.219E-01 RMM: 4 -0.319551203358E+03 0.43194E-03 -0.84106E-04 4834 0.627E-02 0.937E-02 RMM: 5 -0.319551174901E+03 0.28457E-04 -0.12574E-04 3811 0.285E-02 0.912E-02 RMM: 6 -0.319551126160E+03 0.48741E-04 -0.33295E-05 2917 0.178E-02 0.456E-02 RMM: 7 -0.319551127112E+03 -0.95220E-06 -0.18214E-05 2520 0.128E-02 366 T= 5298. E= 0.67462052E+03 F= 0.63671786E+03 E0= 0.66513588E+03 EK= 0.43143E+02 SP= -.55E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319525657846E+03 0.25468E-01 -0.98893E-02 8496 0.217E+01 0.212E-01 RMM: 2 -0.319540594280E+03 -0.14936E-01 -0.10096E-01 5140 0.722E-01 0.965E-01 RMM: 3 -0.319533822701E+03 0.67716E-02 -0.10680E-02 5664 0.217E-01 0.188E-01 RMM: 4 -0.319533540668E+03 0.28203E-03 -0.79728E-04 4912 0.571E-02 0.822E-02 RMM: 5 -0.319533501345E+03 0.39323E-04 -0.92452E-05 3683 0.252E-02 0.759E-02 RMM: 6 -0.319533469271E+03 0.32074E-04 -0.25400E-05 2650 0.154E-02 0.432E-02 RMM: 7 -0.319533471401E+03 -0.21306E-05 -0.19252E-05 2525 0.131E-02 367 T= 5263. E= 0.67462216E+03 F= 0.63673552E+03 E0= 0.66517928E+03 EK= 0.42857E+02 SP= -.52E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319977162208E+03 -0.44369E+00 -0.99598E-02 8120 0.216E+01 0.182E-01 RMM: 2 -0.319990488437E+03 -0.13326E-01 -0.96297E-02 5125 0.699E-01 0.856E-01 RMM: 3 -0.319985027368E+03 0.54611E-02 -0.94146E-03 5758 0.197E-01 0.182E-01 RMM: 4 -0.319984735248E+03 0.29212E-03 -0.63574E-04 4777 0.541E-02 0.862E-02 RMM: 5 -0.319984700711E+03 0.34537E-04 -0.95959E-05 3667 0.258E-02 0.769E-02 RMM: 6 -0.319984664974E+03 0.35737E-04 -0.27870E-05 2774 0.165E-02 0.406E-02 RMM: 7 -0.319984666047E+03 -0.10732E-05 -0.18003E-05 2515 0.127E-02 368 T= 5290. E= 0.67462043E+03 F= 0.63628432E+03 E0= 0.66475859E+03 EK= 0.43075E+02 SP= -.49E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320871198011E+03 -0.88653E+00 -0.99969E-02 8208 0.218E+01 0.200E-01 RMM: 2 -0.320884950866E+03 -0.13753E-01 -0.95012E-02 5026 0.714E-01 0.917E-01 RMM: 3 -0.320879048501E+03 0.59024E-02 -0.10604E-02 5674 0.212E-01 0.182E-01 RMM: 4 -0.320878771571E+03 0.27693E-03 -0.74309E-04 4945 0.554E-02 0.815E-02 RMM: 5 -0.320878740459E+03 0.31112E-04 -0.95017E-05 3662 0.256E-02 0.783E-02 RMM: 6 -0.320878703156E+03 0.37303E-04 -0.27275E-05 2698 0.159E-02 0.381E-02 RMM: 7 -0.320878703135E+03 0.20791E-07 -0.17558E-05 2513 0.129E-02 369 T= 5375. E= 0.67461618E+03 F= 0.63539029E+03 E0= 0.66389978E+03 EK= 0.43769E+02 SP= -.46E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322144161413E+03 -0.12655E+01 -0.10403E-01 7872 0.221E+01 0.167E-01 RMM: 2 -0.322158324466E+03 -0.14163E-01 -0.11409E-01 4856 0.787E-01 0.765E-01 RMM: 3 -0.322154106860E+03 0.42176E-02 -0.12952E-02 5971 0.208E-01 0.149E-01 RMM: 4 -0.322153776118E+03 0.33074E-03 -0.62831E-04 4776 0.575E-02 0.939E-02 RMM: 5 -0.322153724067E+03 0.52051E-04 -0.94617E-05 3642 0.263E-02 0.688E-02 RMM: 6 -0.322153698134E+03 0.25933E-04 -0.24770E-05 2578 0.152E-02 0.379E-02 RMM: 7 -0.322153698005E+03 0.12908E-06 -0.14757E-05 2496 0.118E-02 370 T= 5511. E= 0.67461020E+03 F= 0.63411529E+03 E0= 0.66266342E+03 EK= 0.44874E+02 SP= -.44E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323713114156E+03 -0.15594E+01 -0.10987E-01 7848 0.224E+01 0.190E-01 RMM: 2 -0.323727614546E+03 -0.14500E-01 -0.10567E-01 4927 0.767E-01 0.888E-01 RMM: 3 -0.323722174007E+03 0.54405E-02 -0.12104E-02 5781 0.211E-01 0.178E-01 RMM: 4 -0.323721835023E+03 0.33898E-03 -0.72672E-04 4847 0.590E-02 0.947E-02 RMM: 5 -0.323721786594E+03 0.48429E-04 -0.10909E-04 3730 0.274E-02 0.741E-02 RMM: 6 -0.323721753736E+03 0.32858E-04 -0.27829E-05 2678 0.161E-02 0.370E-02 RMM: 7 -0.323721752815E+03 0.92164E-06 -0.15249E-05 2501 0.122E-02 371 T= 5686. E= 0.67460286E+03 F= 0.63254724E+03 E0= 0.66113687E+03 EK= 0.46300E+02 SP= -.43E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325471668405E+03 -0.17499E+01 -0.11247E-01 7680 0.229E+01 0.161E-01 RMM: 2 -0.325483777067E+03 -0.12109E-01 -0.10230E-01 4905 0.765E-01 0.679E-01 RMM: 3 -0.325480594213E+03 0.31829E-02 -0.11707E-02 5993 0.197E-01 0.132E-01 RMM: 4 -0.325480345640E+03 0.24857E-03 -0.56506E-04 4621 0.562E-02 0.116E-01 RMM: 5 -0.325480252886E+03 0.92755E-04 -0.97916E-05 3638 0.280E-02 0.605E-02 RMM: 6 -0.325480234691E+03 0.18194E-04 -0.23515E-05 2554 0.144E-02 372 T= 5887. E= 0.67459511E+03 F= 0.63078875E+03 E0= 0.65942098E+03 EK= 0.47938E+02 SP= -.42E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327315418449E+03 -0.18352E+01 -0.11183E-01 7544 0.233E+01 0.184E-01 RMM: 2 -0.327329095161E+03 -0.13677E-01 -0.10299E-01 4940 0.767E-01 0.833E-01 RMM: 3 -0.327324333195E+03 0.47620E-02 -0.11932E-02 5729 0.210E-01 0.176E-01 RMM: 4 -0.327324009872E+03 0.32332E-03 -0.70066E-04 4833 0.573E-02 0.904E-02 RMM: 5 -0.327323957510E+03 0.52362E-04 -0.98645E-05 3723 0.262E-02 0.720E-02 RMM: 6 -0.327323929743E+03 0.27767E-04 -0.25860E-05 2564 0.155E-02 0.470E-02 RMM: 7 -0.327323926949E+03 0.27937E-05 -0.23397E-05 2515 0.149E-02 373 T= 6101. E= 0.67458789E+03 F= 0.62894506E+03 E0= 0.65762063E+03 EK= 0.49679E+02 SP= -.41E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329148577146E+03 -0.18246E+01 -0.11437E-01 7648 0.238E+01 0.219E-01 RMM: 2 -0.329163421104E+03 -0.14844E-01 -0.87514E-02 4948 0.741E-01 0.107E+00 RMM: 3 -0.329155810057E+03 0.76110E-02 -0.10238E-02 5565 0.210E-01 0.206E-01 RMM: 4 -0.329155534734E+03 0.27532E-03 -0.95368E-04 4674 0.714E-02 0.131E-01 RMM: 5 -0.329155440169E+03 0.94565E-04 -0.15798E-04 3864 0.330E-02 0.770E-02 RMM: 6 -0.329155404429E+03 0.35740E-04 -0.30143E-05 2792 0.168E-02 0.293E-02 RMM: 7 -0.329155404311E+03 0.11823E-06 -0.16105E-05 2490 0.125E-02 374 T= 6314. E= 0.67458105E+03 F= 0.62711358E+03 E0= 0.65583202E+03 EK= 0.51420E+02 SP= -.40E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330878248852E+03 -0.17228E+01 -0.12314E-01 7664 0.242E+01 0.171E-01 RMM: 2 -0.330890697309E+03 -0.12448E-01 -0.10006E-01 4950 0.767E-01 0.752E-01 RMM: 3 -0.330886906140E+03 0.37912E-02 -0.11372E-02 5860 0.197E-01 0.149E-01 RMM: 4 -0.330886642377E+03 0.26376E-03 -0.60753E-04 4649 0.584E-02 0.114E-01 RMM: 5 -0.330886556726E+03 0.85652E-04 -0.10996E-04 3690 0.289E-02 0.702E-02 RMM: 6 -0.330886530313E+03 0.26412E-04 -0.28606E-05 2652 0.161E-02 0.391E-02 RMM: 7 -0.330886525413E+03 0.49003E-05 -0.16338E-05 2494 0.122E-02 375 T= 6516. E= 0.67457547E+03 F= 0.62538246E+03 E0= 0.65414121E+03 EK= 0.53066E+02 SP= -.39E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332434539746E+03 -0.15480E+01 -0.12302E-01 7712 0.246E+01 0.157E-01 RMM: 2 -0.332445959410E+03 -0.11420E-01 -0.95027E-02 4830 0.756E-01 0.684E-01 RMM: 3 -0.332442905026E+03 0.30544E-02 -0.11239E-02 5918 0.196E-01 0.156E-01 RMM: 4 -0.332442615852E+03 0.28917E-03 -0.57353E-04 4628 0.580E-02 0.939E-02 RMM: 5 -0.332442556497E+03 0.59356E-04 -0.92070E-05 3617 0.285E-02 0.560E-02 RMM: 6 -0.332442543027E+03 0.13470E-04 -0.22833E-05 2538 0.138E-02 376 T= 6697. E= 0.67457105E+03 F= 0.62382645E+03 E0= 0.65262214E+03 EK= 0.54535E+02 SP= -.38E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333753028352E+03 -0.13105E+01 -0.13308E-01 7512 0.249E+01 0.161E-01 RMM: 2 -0.333767794480E+03 -0.14766E-01 -0.11786E-01 4748 0.821E-01 0.776E-01 RMM: 3 -0.333763490939E+03 0.43035E-02 -0.13966E-02 5839 0.219E-01 0.146E-01 RMM: 4 -0.333763214170E+03 0.27677E-03 -0.68381E-04 4739 0.614E-02 0.106E-01 RMM: 5 -0.333763136682E+03 0.77489E-04 -0.10534E-04 3712 0.299E-02 0.594E-02 RMM: 6 -0.333763120557E+03 0.16124E-04 -0.25064E-05 2550 0.145E-02 377 T= 6847. E= 0.67456756E+03 F= 0.62250587E+03 E0= 0.65133359E+03 EK= 0.55760E+02 SP= -.37E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334793537206E+03 -0.10304E+01 -0.13030E-01 7480 0.251E+01 0.238E-01 RMM: 2 -0.334812700888E+03 -0.19164E-01 -0.92437E-02 4839 0.762E-01 0.130E+00 RMM: 3 -0.334801202157E+03 0.11499E-01 -0.11864E-02 5443 0.242E-01 0.236E-01 RMM: 4 -0.334800771060E+03 0.43110E-03 -0.10651E-03 4696 0.697E-02 0.823E-02 RMM: 5 -0.334800741217E+03 0.29843E-04 -0.13825E-04 3954 0.303E-02 0.759E-02 RMM: 6 -0.334800707802E+03 0.33415E-04 -0.26945E-05 2572 0.153E-02 0.456E-02 RMM: 7 -0.334800710559E+03 -0.27565E-05 -0.26232E-05 2586 0.162E-02 378 T= 6961. E= 0.67456489E+03 F= 0.62146828E+03 E0= 0.65032238E+03 EK= 0.56686E+02 SP= -.36E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335512612608E+03 -0.71190E+00 -0.13044E-01 7648 0.253E+01 0.225E-01 RMM: 2 -0.335527904047E+03 -0.15291E-01 -0.94214E-02 4741 0.765E-01 0.105E+00 RMM: 3 -0.335520426608E+03 0.74774E-02 -0.11868E-02 5480 0.240E-01 0.255E-01 RMM: 4 -0.335519993368E+03 0.43324E-03 -0.10518E-03 4716 0.709E-02 0.906E-02 RMM: 5 -0.335519997644E+03 -0.42761E-05 -0.16100E-04 3852 0.328E-02 379 T= 7033. E= 0.67456416E+03 F= 0.62074899E+03 E0= 0.64962212E+03 EK= 0.57276E+02 SP= -.35E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335887913838E+03 -0.36792E+00 -0.13207E-01 7832 0.253E+01 0.148E-01 RMM: 2 -0.335901148897E+03 -0.13235E-01 -0.99912E-02 4794 0.752E-01 0.791E-01 RMM: 3 -0.335896848801E+03 0.43001E-02 -0.11984E-02 5807 0.211E-01 0.143E-01 RMM: 4 -0.335896611260E+03 0.23754E-03 -0.56865E-04 4715 0.536E-02 0.912E-02 RMM: 5 -0.335896551331E+03 0.59929E-04 -0.81540E-05 3623 0.266E-02 0.607E-02 RMM: 6 -0.335896542151E+03 0.91802E-05 -0.29919E-05 2610 0.164E-02 380 T= 7061. E= 0.67456429E+03 F= 0.62037245E+03 E0= 0.64925689E+03 EK= 0.57500E+02 SP= -.34E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335906073483E+03 -0.95222E-02 -0.13316E-01 7560 0.253E+01 0.271E-01 RMM: 2 -0.335932061022E+03 -0.25988E-01 -0.10307E-01 4694 0.795E-01 0.159E+00 RMM: 3 -0.335914492512E+03 0.17569E-01 -0.14575E-02 5412 0.276E-01 0.249E-01 RMM: 4 -0.335914046786E+03 0.44573E-03 -0.14236E-03 4902 0.763E-02 0.844E-02 RMM: 5 -0.335914042202E+03 0.45837E-05 -0.17559E-04 3951 0.326E-02 381 T= 7042. E= 0.67456544E+03 F= 0.62035495E+03 E0= 0.64924268E+03 EK= 0.57344E+02 SP= -.32E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335556744952E+03 0.35730E+00 -0.13150E-01 7752 0.253E+01 0.262E-01 RMM: 2 -0.335587672324E+03 -0.30927E-01 -0.12103E-01 4782 0.848E-01 0.173E+00 RMM: 3 -0.335566909623E+03 0.20763E-01 -0.16066E-02 5422 0.282E-01 0.206E-01 RMM: 4 -0.335566598341E+03 0.31128E-03 -0.14512E-03 5030 0.743E-02 0.103E-01 RMM: 5 -0.335566536395E+03 0.61946E-04 -0.15304E-04 4078 0.324E-02 0.773E-02 RMM: 6 -0.335566502885E+03 0.33510E-04 -0.31052E-05 2653 0.161E-02 0.529E-02 RMM: 7 -0.335566509017E+03 -0.61320E-05 -0.35328E-05 2847 0.177E-02 382 T= 6975. E= 0.67456732E+03 F= 0.62070248E+03 E0= 0.64958487E+03 EK= 0.56801E+02 SP= -.30E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334846916284E+03 0.71959E+00 -0.13890E-01 7576 0.251E+01 0.195E-01 RMM: 2 -0.334864651689E+03 -0.17735E-01 -0.13984E-01 4651 0.900E-01 0.880E-01 RMM: 3 -0.334859220728E+03 0.54310E-02 -0.16845E-02 5809 0.244E-01 0.173E-01 RMM: 4 -0.334858882517E+03 0.33821E-03 -0.92657E-04 4855 0.695E-02 0.123E-01 RMM: 5 -0.334858811895E+03 0.70622E-04 -0.14207E-04 3808 0.313E-02 0.789E-02 RMM: 6 -0.334858773451E+03 0.38444E-04 -0.36816E-05 2972 0.181E-02 0.221E-02 RMM: 7 -0.334858779562E+03 -0.61113E-05 -0.14250E-05 2494 0.123E-02 383 T= 6862. E= 0.67456942E+03 F= 0.62141021E+03 E0= 0.65027953E+03 EK= 0.55882E+02 SP= -.28E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333796758427E+03 0.10620E+01 -0.13446E-01 7768 0.248E+01 0.147E-01 RMM: 2 -0.333810004213E+03 -0.13246E-01 -0.11560E-01 4769 0.809E-01 0.648E-01 RMM: 3 -0.333807037996E+03 0.29662E-02 -0.13465E-02 6094 0.211E-01 0.121E-01 RMM: 4 -0.333806785331E+03 0.25266E-03 -0.57093E-04 4606 0.600E-02 0.110E-01 RMM: 5 -0.333806703104E+03 0.82227E-04 -0.85594E-05 3496 0.287E-02 0.563E-02 RMM: 6 -0.333806691178E+03 0.11926E-04 -0.26931E-05 2561 0.153E-02 384 T= 6706. E= 0.67457312E+03 F= 0.62246230E+03 E0= 0.65130979E+03 EK= 0.54610E+02 SP= -.26E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332431747298E+03 0.13750E+01 -0.13852E-01 7696 0.244E+01 0.208E-01 RMM: 2 -0.332452748568E+03 -0.21001E-01 -0.12059E-01 4870 0.824E-01 0.121E+00 RMM: 3 -0.332442134856E+03 0.10614E-01 -0.14489E-02 5575 0.244E-01 0.191E-01 RMM: 4 -0.332441770383E+03 0.36447E-03 -0.98814E-04 4828 0.669E-02 0.856E-02 RMM: 5 -0.332441746284E+03 0.24099E-04 -0.13283E-04 4059 0.299E-02 0.761E-02 RMM: 6 -0.332441714904E+03 0.31380E-04 -0.27187E-05 2604 0.157E-02 0.454E-02 RMM: 7 -0.332441729433E+03 -0.14529E-04 -0.27236E-05 2603 0.161E-02 385 T= 6511. E= 0.67457805E+03 F= 0.62382726E+03 E0= 0.65264645E+03 EK= 0.53024E+02 SP= -.24E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330806458264E+03 0.16353E+01 -0.12382E-01 7800 0.240E+01 0.228E-01 RMM: 2 -0.330824370102E+03 -0.17912E-01 -0.10665E-01 4899 0.772E-01 0.114E+00 RMM: 3 -0.330815188154E+03 0.91819E-02 -0.12438E-02 5533 0.237E-01 0.221E-01 RMM: 4 -0.330814837865E+03 0.35029E-03 -0.11140E-03 4756 0.741E-02 0.112E-01 RMM: 5 -0.330814791662E+03 0.46203E-04 -0.15789E-04 3914 0.312E-02 0.888E-02 RMM: 6 -0.330814742355E+03 0.49306E-04 -0.35152E-05 2968 0.180E-02 0.290E-02 RMM: 7 -0.330814744434E+03 -0.20780E-05 -0.14519E-05 2496 0.121E-02 386 T= 6285. E= 0.67458494E+03 F= 0.62545424E+03 E0= 0.65423916E+03 EK= 0.51185E+02 SP= -.22E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328988670231E+03 0.18261E+01 -0.12477E-01 7848 0.234E+01 0.195E-01 RMM: 2 -0.329006614657E+03 -0.17944E-01 -0.12451E-01 4905 0.818E-01 0.994E-01 RMM: 3 -0.328999331916E+03 0.72827E-02 -0.13966E-02 5792 0.231E-01 0.168E-01 RMM: 4 -0.328999002422E+03 0.32949E-03 -0.78975E-04 4799 0.623E-02 0.106E-01 RMM: 5 -0.328998945382E+03 0.57039E-04 -0.11859E-04 3802 0.304E-02 0.730E-02 RMM: 6 -0.328998915942E+03 0.29441E-04 -0.30225E-05 2699 0.167E-02 0.423E-02 RMM: 7 -0.328998923197E+03 -0.72556E-05 -0.23307E-05 2541 0.145E-02 387 T= 6038. E= 0.67459302E+03 F= 0.62727007E+03 E0= 0.65601684E+03 EK= 0.49174E+02 SP= -.19E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327078770530E+03 0.19201E+01 -0.11610E-01 8136 0.228E+01 0.161E-01 RMM: 2 -0.327091496637E+03 -0.12726E-01 -0.10330E-01 5068 0.731E-01 0.714E-01 RMM: 3 -0.327087455117E+03 0.40415E-02 -0.10260E-02 5891 0.199E-01 0.151E-01 RMM: 4 -0.327087229306E+03 0.22581E-03 -0.57725E-04 4632 0.553E-02 0.993E-02 RMM: 5 -0.327087171587E+03 0.57719E-04 -0.88127E-05 3604 0.267E-02 0.616E-02 RMM: 6 -0.327087154401E+03 0.17186E-04 -0.23140E-05 2556 0.147E-02 388 T= 5783. E= 0.67460243E+03 F= 0.62918183E+03 E0= 0.65788749E+03 EK= 0.47092E+02 SP= -.17E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325178582139E+03 0.19086E+01 -0.11172E-01 8128 0.222E+01 0.181E-01 RMM: 2 -0.325194000855E+03 -0.15419E-01 -0.11258E-01 5081 0.747E-01 0.873E-01 RMM: 3 -0.325188073266E+03 0.59276E-02 -0.11489E-02 5833 0.211E-01 0.163E-01 RMM: 4 -0.325187804971E+03 0.26829E-03 -0.67241E-04 4723 0.572E-02 0.102E-01 RMM: 5 -0.325187739068E+03 0.65904E-04 -0.92601E-05 3703 0.261E-02 0.672E-02 RMM: 6 -0.325187720689E+03 0.18379E-04 -0.24447E-05 2558 0.150E-02 389 T= 5533. E= 0.67461197E+03 F= 0.63108127E+03 E0= 0.65974409E+03 EK= 0.45054E+02 SP= -.16E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323405376979E+03 0.17824E+01 -0.10696E-01 8336 0.216E+01 0.274E-01 RMM: 2 -0.323431447391E+03 -0.26070E-01 -0.11020E-01 5076 0.754E-01 0.156E+00 RMM: 3 -0.323414130733E+03 0.17317E-01 -0.13368E-02 5448 0.262E-01 0.266E-01 RMM: 4 -0.323413572547E+03 0.55819E-03 -0.13506E-03 4803 0.760E-02 0.824E-02 RMM: 5 -0.323413553930E+03 0.18617E-04 -0.15595E-04 4020 0.302E-02 390 T= 5302. E= 0.67462160E+03 F= 0.63285544E+03 E0= 0.66147418E+03 EK= 0.43179E+02 SP= -.14E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321864519549E+03 0.15491E+01 -0.10199E-01 8576 0.210E+01 0.181E-01 RMM: 2 -0.321880093924E+03 -0.15574E-01 -0.10638E-01 5493 0.680E-01 0.908E-01 RMM: 3 -0.321873180653E+03 0.69133E-02 -0.84807E-03 5471 0.197E-01 0.200E-01 RMM: 4 -0.321872905182E+03 0.27547E-03 -0.81717E-04 4780 0.588E-02 0.953E-02 RMM: 5 -0.321872857058E+03 0.48124E-04 -0.94999E-05 3739 0.248E-02 0.753E-02 RMM: 6 -0.321872832012E+03 0.25047E-04 -0.22536E-05 2580 0.146E-02 0.534E-02 RMM: 7 -0.321872851642E+03 -0.19631E-04 -0.40215E-05 2967 0.174E-02 391 T= 5106. E= 0.67462994E+03 F= 0.63439614E+03 E0= 0.66297096E+03 EK= 0.41577E+02 SP= -.14E+01 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320649901566E+03 0.12229E+01 -0.10387E-01 8264 0.205E+01 0.223E-01 RMM: 2 -0.320666123972E+03 -0.16222E-01 -0.11950E-01 4942 0.759E-01 0.911E-01 RMM: 3 -0.320659761748E+03 0.63622E-02 -0.12311E-02 5813 0.217E-01 0.185E-01 RMM: 4 -0.320659550900E+03 0.21085E-03 -0.92277E-04 4719 0.693E-02 0.170E-01 RMM: 5 -0.320659405467E+03 0.14543E-03 -0.19127E-04 3884 0.360E-02 0.953E-02 RMM: 6 -0.320659348509E+03 0.56959E-04 -0.55388E-05 3303 0.222E-02 0.286E-02 RMM: 7 -0.320659360670E+03 -0.12162E-04 -0.17393E-05 2523 0.131E-02 392 T= 4954. E= 0.67463573E+03 F= 0.63560963E+03 E0= 0.66414155E+03 EK= 0.40344E+02 SP= -.13E+01 SK= 0.26E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.319833196852E+03 0.82615E+00 -0.10560E-01 8656 0.202E+01 0.165E-01 RMM: 2 -0.319848371274E+03 -0.15174E-01 -0.11971E-01 5192 0.739E-01 0.789E-01 RMM: 3 -0.319843356158E+03 0.50151E-02 -0.11173E-02 6081 0.192E-01 0.131E-01 RMM: 4 -0.319843075253E+03 0.28091E-03 -0.53075E-04 4491 0.519E-02 0.101E-01 RMM: 5 -0.319842999062E+03 0.76191E-04 -0.83119E-05 3570 0.247E-02 0.567E-02 RMM: 6 -0.319842984911E+03 0.14151E-04 -0.21946E-05 2551 0.138E-02 393 T= 4857. E= 0.67463892E+03 F= 0.63642600E+03 E0= 0.66491916E+03 EK= 0.39550E+02 SP= -.13E+01 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319451146901E+03 0.39185E+00 -0.11058E-01 8568 0.200E+01 0.184E-01 RMM: 2 -0.319468976549E+03 -0.17830E-01 -0.13019E-01 5066 0.770E-01 0.922E-01 RMM: 3 -0.319462410463E+03 0.65661E-02 -0.13074E-02 5821 0.217E-01 0.174E-01 RMM: 4 -0.319462039302E+03 0.37116E-03 -0.75995E-04 4928 0.571E-02 0.756E-02 RMM: 5 -0.319462010544E+03 0.28758E-04 -0.91925E-05 3714 0.243E-02 0.693E-02 RMM: 6 -0.319461987382E+03 0.23162E-04 -0.24250E-05 2566 0.149E-02 0.492E-02 RMM: 7 -0.319462016259E+03 -0.28877E-04 -0.42452E-05 3047 0.186E-02 0.858E-02 RMM: 8 -0.319461970359E+03 0.45900E-04 -0.47572E-05 2896 0.175E-02 0.328E-02 RMM: 9 -0.319461966504E+03 0.38550E-05 -0.14647E-05 2483 0.110E-02 394 T= 4818. E= 0.67463903E+03 F= 0.63680702E+03 E0= 0.66526631E+03 EK= 0.39235E+02 SP= -.14E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319510860108E+03 -0.48890E-01 -0.10867E-01 8744 0.201E+01 0.252E-01 RMM: 2 -0.319531880270E+03 -0.21020E-01 -0.13099E-01 4993 0.791E-01 0.118E+00 RMM: 3 -0.319521493842E+03 0.10386E-01 -0.13752E-02 5776 0.231E-01 0.198E-01 RMM: 4 -0.319521203117E+03 0.29072E-03 -0.12138E-03 4719 0.790E-02 0.163E-01 RMM: 5 -0.319521122373E+03 0.80745E-04 -0.20708E-04 3886 0.346E-02 0.129E-01 RMM: 6 -0.319521006475E+03 0.11590E-03 -0.65261E-05 3418 0.239E-02 0.268E-02 RMM: 7 -0.319521009724E+03 -0.32488E-05 -0.18032E-05 2522 0.128E-02 395 T= 4839. E= 0.67463676E+03 F= 0.63674798E+03 E0= 0.66518050E+03 EK= 0.39406E+02 SP= -.16E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319983032763E+03 -0.46203E+00 -0.10631E-01 8640 0.203E+01 0.184E-01 RMM: 2 -0.320000668113E+03 -0.17635E-01 -0.12970E-01 5158 0.773E-01 0.921E-01 RMM: 3 -0.319994115100E+03 0.65530E-02 -0.12810E-02 5910 0.213E-01 0.174E-01 RMM: 4 -0.319993729717E+03 0.38538E-03 -0.72061E-04 4915 0.562E-02 0.702E-02 RMM: 5 -0.319993698961E+03 0.30755E-04 -0.86278E-05 3728 0.234E-02 0.636E-02 RMM: 6 -0.319993679842E+03 0.19119E-04 -0.19146E-05 2545 0.130E-02 396 T= 4916. E= 0.67463251E+03 F= 0.63627531E+03 E0= 0.66468898E+03 EK= 0.40037E+02 SP= -.18E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320817094181E+03 -0.82340E+00 -0.11201E-01 8592 0.207E+01 0.225E-01 RMM: 2 -0.320838481597E+03 -0.21387E-01 -0.12997E-01 5154 0.768E-01 0.118E+00 RMM: 3 -0.320827989074E+03 0.10493E-01 -0.13573E-02 5552 0.238E-01 0.204E-01 RMM: 4 -0.320827606701E+03 0.38237E-03 -0.11312E-03 5268 0.630E-02 0.789E-02 RMM: 5 -0.320827555673E+03 0.51028E-04 -0.98014E-05 3763 0.246E-02 0.700E-02 RMM: 6 -0.320827534046E+03 0.21627E-04 -0.22128E-05 2554 0.143E-02 0.534E-02 RMM: 7 -0.320827547455E+03 -0.13410E-04 -0.36271E-05 2868 0.172E-02 397 T= 5044. E= 0.67462617E+03 F= 0.63544144E+03 E0= 0.66384482E+03 EK= 0.41077E+02 SP= -.21E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321940740703E+03 -0.11132E+01 -0.11062E-01 8736 0.212E+01 0.236E-01 RMM: 2 -0.321959754299E+03 -0.19014E-01 -0.12515E-01 5122 0.773E-01 0.108E+00 RMM: 3 -0.321951235366E+03 0.85189E-02 -0.13431E-02 5660 0.231E-01 0.241E-01 RMM: 4 -0.321950747990E+03 0.48738E-03 -0.11337E-03 4775 0.721E-02 0.114E-01 RMM: 5 -0.321950720088E+03 0.27903E-04 -0.18304E-04 3889 0.337E-02 0.103E-01 RMM: 6 -0.321950646622E+03 0.73465E-04 -0.47154E-05 3168 0.205E-02 0.304E-02 RMM: 7 -0.321950649961E+03 -0.33385E-05 -0.16432E-05 2520 0.122E-02 398 T= 5214. E= 0.67461955E+03 F= 0.63431834E+03 E0= 0.66271883E+03 EK= 0.42457E+02 SP= -.24E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323272376421E+03 -0.13217E+01 -0.11392E-01 8600 0.217E+01 0.222E-01 RMM: 2 -0.323292582063E+03 -0.20206E-01 -0.12848E-01 5119 0.791E-01 0.114E+00 RMM: 3 -0.323283169971E+03 0.94121E-02 -0.13723E-02 5778 0.231E-01 0.204E-01 RMM: 4 -0.323282741197E+03 0.42877E-03 -0.95050E-04 4971 0.626E-02 0.913E-02 RMM: 5 -0.323282683335E+03 0.57862E-04 -0.11853E-04 3806 0.273E-02 0.738E-02 RMM: 6 -0.323282654222E+03 0.29113E-04 -0.26791E-05 2655 0.156E-02 0.517E-02 RMM: 7 -0.323282651236E+03 0.29863E-05 -0.23010E-05 2571 0.139E-02 399 T= 5415. E= 0.67461278E+03 F= 0.63298634E+03 E0= 0.66138948E+03 EK= 0.44095E+02 SP= -.28E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324731941728E+03 -0.14493E+01 -0.11626E-01 8456 0.223E+01 0.175E-01 RMM: 2 -0.324746282941E+03 -0.14341E-01 -0.11835E-01 5054 0.761E-01 0.733E-01 RMM: 3 -0.324742083755E+03 0.41992E-02 -0.12384E-02 6001 0.206E-01 0.134E-01 RMM: 4 -0.324741803145E+03 0.28061E-03 -0.61508E-04 4845 0.529E-02 0.104E-01 RMM: 5 -0.324741730793E+03 0.72352E-04 -0.86176E-05 3606 0.257E-02 0.590E-02 RMM: 6 -0.324741713932E+03 0.16861E-04 -0.21537E-05 2559 0.138E-02 400 T= 5638. E= 0.67460642E+03 F= 0.63152728E+03 E0= 0.65993671E+03 EK= 0.45909E+02 SP= -.32E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326240001713E+03 -0.14983E+01 -0.12402E-01 8080 0.229E+01 0.208E-01 RMM: 2 -0.326258808863E+03 -0.18807E-01 -0.12972E-01 5025 0.812E-01 0.104E+00 RMM: 3 -0.326251087661E+03 0.77212E-02 -0.14037E-02 5835 0.228E-01 0.200E-01 RMM: 4 -0.326250636374E+03 0.45129E-03 -0.86376E-04 4898 0.627E-02 0.964E-02 RMM: 5 -0.326250570138E+03 0.66236E-04 -0.11388E-04 3822 0.270E-02 0.708E-02 RMM: 6 -0.326250546727E+03 0.23412E-04 -0.23579E-05 2566 0.143E-02 0.586E-02 RMM: 7 -0.326250535716E+03 0.11010E-04 -0.30784E-05 2638 0.164E-02 401 T= 5872. E= 0.67460025E+03 F= 0.63001845E+03 E0= 0.65843530E+03 EK= 0.47816E+02 SP= -.37E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327727233041E+03 -0.14767E+01 -0.12782E-01 7736 0.234E+01 0.211E-01 RMM: 2 -0.327743693679E+03 -0.16461E-01 -0.12393E-01 4873 0.825E-01 0.902E-01 RMM: 3 -0.327737933255E+03 0.57604E-02 -0.14474E-02 5785 0.234E-01 0.194E-01 RMM: 4 -0.327737547049E+03 0.38621E-03 -0.93290E-04 4806 0.676E-02 0.113E-01 RMM: 5 -0.327737479530E+03 0.67519E-04 -0.14436E-04 3876 0.311E-02 0.799E-02 RMM: 6 -0.327737440543E+03 0.38988E-04 -0.30581E-05 2752 0.167E-02 0.355E-02 RMM: 7 -0.327737440957E+03 -0.41422E-06 -0.17476E-05 2501 0.133E-02 402 T= 6108. E= 0.67459483E+03 F= 0.62853155E+03 E0= 0.65695466E+03 EK= 0.49741E+02 SP= -.42E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329126418004E+03 -0.13890E+01 -0.12910E-01 7720 0.239E+01 0.187E-01 RMM: 2 -0.329142896120E+03 -0.16478E-01 -0.12502E-01 4914 0.818E-01 0.898E-01 RMM: 3 -0.329137250693E+03 0.56454E-02 -0.13885E-02 5933 0.221E-01 0.164E-01 RMM: 4 -0.329136901193E+03 0.34950E-03 -0.72588E-04 4797 0.610E-02 0.113E-01 RMM: 5 -0.329136809822E+03 0.91371E-04 -0.11385E-04 3753 0.293E-02 0.645E-02 RMM: 6 -0.329136790747E+03 0.19075E-04 -0.27698E-05 2630 0.153E-02 403 T= 6338. E= 0.67459042E+03 F= 0.62713220E+03 E0= 0.65555728E+03 EK= 0.51611E+02 SP= -.47E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330380530217E+03 -0.12437E+01 -0.12904E-01 7688 0.243E+01 0.197E-01 RMM: 2 -0.330398522074E+03 -0.17992E-01 -0.10940E-01 4898 0.771E-01 0.110E+00 RMM: 3 -0.330389913571E+03 0.86085E-02 -0.12390E-02 5601 0.230E-01 0.187E-01 RMM: 4 -0.330389595579E+03 0.31799E-03 -0.85883E-04 4834 0.616E-02 0.888E-02 RMM: 5 -0.330389540564E+03 0.55016E-04 -0.10756E-04 3852 0.279E-02 0.662E-02 RMM: 6 -0.330389524660E+03 0.15904E-04 -0.25122E-05 2560 0.145E-02 404 T= 6552. E= 0.67458664E+03 F= 0.62587946E+03 E0= 0.65430222E+03 EK= 0.53358E+02 SP= -.52E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331437069698E+03 -0.10475E+01 -0.13283E-01 7504 0.247E+01 0.335E-01 RMM: 2 -0.331471017590E+03 -0.33948E-01 -0.12524E-01 4801 0.873E-01 0.186E+00 RMM: 3 -0.331447139768E+03 0.23878E-01 -0.17882E-02 5401 0.313E-01 0.334E-01 RMM: 4 -0.331446329539E+03 0.81023E-03 -0.20341E-03 5045 0.921E-02 0.992E-02 RMM: 5 -0.331446284703E+03 0.44836E-04 -0.23197E-04 3986 0.340E-02 0.948E-02 RMM: 6 -0.331446229913E+03 0.54790E-04 -0.38369E-05 2927 0.185E-02 0.529E-02 RMM: 7 -0.331446230436E+03 -0.52293E-06 -0.24877E-05 2544 0.149E-02 405 T= 6744. E= 0.67458348E+03 F= 0.62482276E+03 E0= 0.65323857E+03 EK= 0.54923E+02 SP= -.57E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332261509408E+03 -0.81528E+00 -0.13788E-01 7536 0.250E+01 0.264E-01 RMM: 2 -0.332283980556E+03 -0.22471E-01 -0.11995E-01 4741 0.832E-01 0.133E+00 RMM: 3 -0.332271582044E+03 0.12399E-01 -0.15700E-02 5414 0.282E-01 0.297E-01 RMM: 4 -0.332271000225E+03 0.58182E-03 -0.15688E-03 4919 0.825E-02 0.105E-01 RMM: 5 -0.332270964971E+03 0.35254E-04 -0.21383E-04 3906 0.368E-02 0.103E-01 RMM: 6 -0.332270896268E+03 0.68703E-04 -0.54164E-05 3230 0.215E-02 0.397E-02 RMM: 7 -0.332270899259E+03 -0.29919E-05 -0.19881E-05 2532 0.136E-02 406 T= 6909. E= 0.67458184E+03 F= 0.62399809E+03 E0= 0.65240319E+03 EK= 0.56262E+02 SP= -.61E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332838541723E+03 -0.56765E+00 -0.13946E-01 7576 0.251E+01 0.200E-01 RMM: 2 -0.332856707466E+03 -0.18166E-01 -0.12532E-01 4720 0.842E-01 0.101E+00 RMM: 3 -0.332849392511E+03 0.73150E-02 -0.15032E-02 5690 0.247E-01 0.184E-01 RMM: 4 -0.332849045392E+03 0.34712E-03 -0.90184E-04 4906 0.645E-02 0.988E-02 RMM: 5 -0.332848977106E+03 0.68287E-04 -0.11728E-04 3808 0.312E-02 0.664E-02 RMM: 6 -0.332848955124E+03 0.21982E-04 -0.29773E-05 2598 0.161E-02 0.520E-02 RMM: 7 -0.332848946429E+03 0.86946E-05 -0.39426E-05 2678 0.173E-02 407 T= 7042. E= 0.67458210E+03 F= 0.62342004E+03 E0= 0.65181164E+03 EK= 0.57350E+02 SP= -.66E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333185484800E+03 -0.33653E+00 -0.13823E-01 7744 0.253E+01 0.157E-01 RMM: 2 -0.333199150278E+03 -0.13665E-01 -0.11491E-01 4717 0.812E-01 0.690E-01 RMM: 3 -0.333195511228E+03 0.36390E-02 -0.13538E-02 5948 0.224E-01 0.150E-01 RMM: 4 -0.333195214016E+03 0.29721E-03 -0.60310E-04 4750 0.576E-02 0.920E-02 RMM: 5 -0.333195153783E+03 0.60233E-04 -0.85499E-05 3550 0.291E-02 0.597E-02 RMM: 6 -0.333195140297E+03 0.13486E-04 -0.26425E-05 2559 0.154E-02 408 T= 7146. E= 0.67458456E+03 F= 0.62307385E+03 E0= 0.65145286E+03 EK= 0.58194E+02 SP= -.71E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333344751252E+03 -0.14960E+00 -0.14161E-01 7648 0.253E+01 0.236E-01 RMM: 2 -0.333369910822E+03 -0.25160E-01 -0.12730E-01 4704 0.857E-01 0.141E+00 RMM: 3 -0.333355518702E+03 0.14392E-01 -0.15543E-02 5458 0.274E-01 0.224E-01 RMM: 4 -0.333355159795E+03 0.35891E-03 -0.12330E-03 4876 0.716E-02 0.883E-02 RMM: 5 -0.333355108476E+03 0.51318E-04 -0.13122E-04 4167 0.315E-02 0.764E-02 RMM: 6 -0.333355083534E+03 0.24942E-04 -0.29349E-05 2597 0.157E-02 0.656E-02 RMM: 7 -0.333355097331E+03 -0.13797E-04 -0.65435E-05 3461 0.217E-02 409 T= 7225. E= 0.67458887E+03 F= 0.62291389E+03 E0= 0.65128249E+03 EK= 0.58834E+02 SP= -.75E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333388014001E+03 -0.32930E-01 -0.14592E-01 7576 0.253E+01 0.262E-01 RMM: 2 -0.333410730308E+03 -0.22716E-01 -0.13608E-01 4669 0.913E-01 0.126E+00 RMM: 3 -0.333399644101E+03 0.11086E-01 -0.17525E-02 5508 0.287E-01 0.292E-01 RMM: 4 -0.333399052324E+03 0.59178E-03 -0.15616E-03 5103 0.868E-02 0.103E-01 RMM: 5 -0.333399053861E+03 -0.15370E-05 -0.20754E-04 3946 0.329E-02 0.112E-01 RMM: 6 -0.333398971126E+03 0.82735E-04 -0.46592E-05 3160 0.201E-02 0.355E-02 RMM: 7 -0.333398974390E+03 -0.32639E-05 -0.18945E-05 2520 0.131E-02 410 T= 7286. E= 0.67459362E+03 F= 0.62287001E+03 E0= 0.65123201E+03 EK= 0.59331E+02 SP= -.79E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333384507500E+03 0.14464E-01 -0.14619E-01 7632 0.253E+01 0.250E-01 RMM: 2 -0.333409807029E+03 -0.25300E-01 -0.16460E-01 4684 0.983E-01 0.125E+00 RMM: 3 -0.333398840923E+03 0.10966E-01 -0.20392E-02 5636 0.292E-01 0.218E-01 RMM: 4 -0.333398367766E+03 0.47316E-03 -0.13218E-03 5082 0.743E-02 0.967E-02 RMM: 5 -0.333398308717E+03 0.59049E-04 -0.15364E-04 4073 0.343E-02 0.804E-02 RMM: 6 -0.333398274086E+03 0.34632E-04 -0.33808E-05 2751 0.170E-02 0.586E-02 RMM: 7 -0.333398279857E+03 -0.57715E-05 -0.43981E-05 2990 0.185E-02 411 T= 7337. E= 0.67459661E+03 F= 0.62287071E+03 E0= 0.65123119E+03 EK= 0.59752E+02 SP= -.83E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333380046393E+03 0.18228E-01 -0.14308E-01 7688 0.253E+01 0.215E-01 RMM: 2 -0.333402496698E+03 -0.22450E-01 -0.17447E-01 4665 0.998E-01 0.982E-01 RMM: 3 -0.333395622863E+03 0.68738E-02 -0.21572E-02 5895 0.277E-01 0.197E-01 RMM: 4 -0.333395072639E+03 0.55022E-03 -0.11152E-03 5032 0.742E-02 0.930E-02 RMM: 5 -0.333395039013E+03 0.33626E-04 -0.16073E-04 4163 0.343E-02 0.766E-02 RMM: 6 -0.333395006542E+03 0.32471E-04 -0.32367E-05 2758 0.171E-02 0.435E-02 RMM: 7 -0.333395011245E+03 -0.47027E-05 -0.19719E-05 2521 0.140E-02 412 T= 7384. E= 0.67459676E+03 F= 0.62287398E+03 E0= 0.65123721E+03 EK= 0.60133E+02 SP= -.86E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333371887652E+03 0.23119E-01 -0.15050E-01 7888 0.253E+01 0.208E-01 RMM: 2 -0.333395215412E+03 -0.23328E-01 -0.18361E-01 4712 0.100E+00 0.982E-01 RMM: 3 -0.333388132798E+03 0.70826E-02 -0.21652E-02 5869 0.280E-01 0.169E-01 RMM: 4 -0.333387680058E+03 0.45274E-03 -0.10808E-03 5050 0.717E-02 0.115E-01 RMM: 5 -0.333387600964E+03 0.79093E-04 -0.14831E-04 4091 0.333E-02 0.776E-02 RMM: 6 -0.333387572055E+03 0.28909E-04 -0.33817E-05 2757 0.173E-02 0.545E-02 RMM: 7 -0.333387573156E+03 -0.11002E-05 -0.39296E-05 2701 0.182E-02 413 T= 7426. E= 0.67459426E+03 F= 0.62288142E+03 E0= 0.65125065E+03 EK= 0.60472E+02 SP= -.89E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333321738302E+03 0.65834E-01 -0.14904E-01 8304 0.253E+01 0.202E-01 RMM: 2 -0.333342389843E+03 -0.20652E-01 -0.16402E-01 4903 0.921E-01 0.924E-01 RMM: 3 -0.333336184723E+03 0.62051E-02 -0.17854E-02 5893 0.259E-01 0.195E-01 RMM: 4 -0.333335736201E+03 0.44852E-03 -0.94966E-04 4834 0.688E-02 0.112E-01 RMM: 5 -0.333335667992E+03 0.68208E-04 -0.13539E-04 3917 0.317E-02 0.812E-02 RMM: 6 -0.333335643321E+03 0.24671E-04 -0.32000E-05 2734 0.168E-02 0.618E-02 RMM: 7 -0.333335648189E+03 -0.48685E-05 -0.36566E-05 2743 0.180E-02 414 T= 7457. E= 0.67459114E+03 F= 0.62293334E+03 E0= 0.65131049E+03 EK= 0.60727E+02 SP= -.92E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333171420522E+03 0.16422E+00 -0.16192E-01 8280 0.252E+01 0.199E-01 RMM: 2 -0.333194072142E+03 -0.22652E-01 -0.18821E-01 5099 0.964E-01 0.889E-01 RMM: 3 -0.333188049746E+03 0.60224E-02 -0.18444E-02 5864 0.260E-01 0.180E-01 RMM: 4 -0.333187658761E+03 0.39099E-03 -0.96673E-04 4806 0.691E-02 0.136E-01 RMM: 5 -0.333187548481E+03 0.11028E-03 -0.13757E-04 3894 0.317E-02 0.804E-02 RMM: 6 -0.333187527591E+03 0.20890E-04 -0.31715E-05 2738 0.168E-02 0.654E-02 RMM: 7 -0.333187526315E+03 0.12763E-05 -0.45303E-05 2859 0.189E-02 415 T= 7472. E= 0.67458952E+03 F= 0.62308146E+03 E0= 0.65146551E+03 EK= 0.60846E+02 SP= -.94E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332890831889E+03 0.29670E+00 -0.16992E-01 8536 0.252E+01 0.207E-01 RMM: 2 -0.332915352125E+03 -0.24520E-01 -0.20011E-01 5139 0.974E-01 0.947E-01 RMM: 3 -0.332908464396E+03 0.68877E-02 -0.19079E-02 5952 0.262E-01 0.196E-01 RMM: 4 -0.332907996174E+03 0.46822E-03 -0.99912E-04 4785 0.707E-02 0.132E-01 RMM: 5 -0.332907893871E+03 0.10230E-03 -0.14130E-04 3897 0.313E-02 0.867E-02 RMM: 6 -0.332907871732E+03 0.22139E-04 -0.32427E-05 2789 0.170E-02 0.719E-02 RMM: 7 -0.332907873470E+03 -0.17384E-05 -0.44380E-05 2893 0.186E-02 416 T= 7465. E= 0.67458892E+03 F= 0.62336112E+03 E0= 0.65174926E+03 EK= 0.60792E+02 SP= -.96E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332467183034E+03 0.44069E+00 -0.18295E-01 8512 0.250E+01 0.209E-01 RMM: 2 -0.332493319206E+03 -0.26136E-01 -0.21803E-01 5131 0.101E+00 0.930E-01 RMM: 3 -0.332486319364E+03 0.69998E-02 -0.20337E-02 6001 0.270E-01 0.185E-01 RMM: 4 -0.332485855297E+03 0.46407E-03 -0.10148E-03 4828 0.708E-02 0.136E-01 RMM: 5 -0.332485748078E+03 0.10722E-03 -0.14561E-04 3924 0.321E-02 0.810E-02 RMM: 6 -0.332485727703E+03 0.20375E-04 -0.32701E-05 2754 0.170E-02 0.651E-02 RMM: 7 -0.332485736619E+03 -0.89160E-05 -0.42932E-05 2863 0.185E-02 417 T= 7436. E= 0.67459028E+03 F= 0.62378325E+03 E0= 0.65217042E+03 EK= 0.60554E+02 SP= -.98E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331919531174E+03 0.56620E+00 -0.19829E-01 8880 0.248E+01 0.219E-01 RMM: 2 -0.331946456006E+03 -0.26925E-01 -0.21566E-01 5190 0.991E-01 0.101E+00 RMM: 3 -0.331938181749E+03 0.82743E-02 -0.18793E-02 5976 0.265E-01 0.189E-01 RMM: 4 -0.331937747369E+03 0.43438E-03 -0.10642E-03 4862 0.718E-02 0.132E-01 RMM: 5 -0.331937650041E+03 0.97329E-04 -0.15215E-04 3931 0.317E-02 0.842E-02 RMM: 6 -0.331937620506E+03 0.29534E-04 -0.36471E-05 2924 0.179E-02 0.587E-02 RMM: 7 -0.331937632512E+03 -0.12006E-04 -0.33269E-05 2651 0.169E-02 418 T= 7386. E= 0.67459233E+03 F= 0.62433136E+03 E0= 0.65271089E+03 EK= 0.60150E+02 SP= -.99E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331278217438E+03 0.65940E+00 -0.20765E-01 8920 0.246E+01 0.217E-01 RMM: 2 -0.331304500932E+03 -0.26283E-01 -0.21596E-01 5262 0.988E-01 0.954E-01 RMM: 3 -0.331296707793E+03 0.77931E-02 -0.17526E-02 5987 0.262E-01 0.179E-01 RMM: 4 -0.331296334530E+03 0.37326E-03 -0.99559E-04 4915 0.685E-02 0.123E-01 RMM: 5 -0.331296251333E+03 0.83197E-04 -0.14070E-04 3930 0.309E-02 0.808E-02 RMM: 6 -0.331296220883E+03 0.30450E-04 -0.34415E-05 2853 0.176E-02 0.523E-02 RMM: 7 -0.331296234930E+03 -0.14047E-04 -0.32995E-05 2652 0.167E-02 419 T= 7320. E= 0.67459432E+03 F= 0.62497275E+03 E0= 0.65333686E+03 EK= 0.59612E+02 SP= -.10E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330583348847E+03 0.71287E+00 -0.20555E-01 8904 0.244E+01 0.218E-01 RMM: 2 -0.330608468929E+03 -0.25120E-01 -0.19617E-01 5424 0.926E-01 0.101E+00 RMM: 3 -0.330600078945E+03 0.83900E-02 -0.14630E-02 5821 0.250E-01 0.194E-01 RMM: 4 -0.330599732974E+03 0.34597E-03 -0.10059E-03 4870 0.674E-02 0.113E-01 RMM: 5 -0.330599669777E+03 0.63197E-04 -0.14114E-04 3882 0.308E-02 0.863E-02 RMM: 6 -0.330599629500E+03 0.40277E-04 -0.36919E-05 2960 0.180E-02 0.496E-02 RMM: 7 -0.330599641626E+03 -0.12126E-04 -0.28401E-05 2614 0.157E-02 420 T= 7243. E= 0.67459662E+03 F= 0.62566935E+03 E0= 0.65401095E+03 EK= 0.58984E+02 SP= -.10E+02 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329869221823E+03 0.73041E+00 -0.20865E-01 8720 0.243E+01 0.209E-01 RMM: 2 -0.329894645731E+03 -0.25424E-01 -0.20932E-01 5422 0.977E-01 0.930E-01 RMM: 3 -0.329887330266E+03 0.73155E-02 -0.15937E-02 5874 0.250E-01 0.196E-01 RMM: 4 -0.329886914171E+03 0.41609E-03 -0.97071E-04 4955 0.671E-02 0.104E-01 RMM: 5 -0.329886860085E+03 0.54087E-04 -0.13667E-04 3935 0.301E-02 0.841E-02 RMM: 6 -0.329886821890E+03 0.38195E-04 -0.34821E-05 2912 0.177E-02 0.482E-02 RMM: 7 -0.329886833253E+03 -0.11363E-04 -0.31761E-05 2661 0.165E-02 421 T= 7160. E= 0.67459809E+03 F= 0.62638216E+03 E0= 0.65469465E+03 EK= 0.58306E+02 SP= -.10E+02 SK= 0.63E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329175148549E+03 0.71167E+00 -0.18656E-01 8904 0.242E+01 0.215E-01 RMM: 2 -0.329198838867E+03 -0.23690E-01 -0.18548E-01 5298 0.922E-01 0.977E-01 RMM: 3 -0.329191077391E+03 0.77615E-02 -0.15157E-02 5772 0.249E-01 0.211E-01 RMM: 4 -0.329190647399E+03 0.42999E-03 -0.10197E-03 4941 0.679E-02 0.100E-01 RMM: 5 -0.329190600645E+03 0.46754E-04 -0.13809E-04 3895 0.302E-02 0.855E-02 RMM: 6 -0.329190559011E+03 0.41634E-04 -0.34026E-05 2886 0.174E-02 0.494E-02 RMM: 7 -0.329190568516E+03 -0.95047E-05 -0.29944E-05 2637 0.163E-02 422 T= 7075. E= 0.67459976E+03 F= 0.62707842E+03 E0= 0.65535793E+03 EK= 0.57617E+02 SP= -.10E+02 SK= 0.71E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.328529649045E+03 0.66091E+00 -0.16589E-01 8688 0.241E+01 0.217E-01 RMM: 2 -0.328553948402E+03 -0.24299E-01 -0.18334E-01 5216 0.938E-01 0.104E+00 RMM: 3 -0.328545395754E+03 0.85526E-02 -0.16050E-02 5779 0.255E-01 0.227E-01 RMM: 4 -0.328544906157E+03 0.48960E-03 -0.10306E-03 4927 0.687E-02 0.958E-02 RMM: 5 -0.328544861306E+03 0.44850E-04 -0.14172E-04 3903 0.309E-02 0.862E-02 RMM: 6 -0.328544821111E+03 0.40195E-04 -0.34726E-05 2916 0.176E-02 0.517E-02 RMM: 7 -0.328544827827E+03 -0.67162E-05 -0.35738E-05 2802 0.178E-02 423 T= 6994. E= 0.67460152E+03 F= 0.62772416E+03 E0= 0.65596818E+03 EK= 0.56955E+02 SP= -.10E+02 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327972492016E+03 0.57233E+00 -0.14564E-01 8576 0.241E+01 0.227E-01 RMM: 2 -0.327995370400E+03 -0.22878E-01 -0.15814E-01 5168 0.875E-01 0.111E+00 RMM: 3 -0.327985843452E+03 0.95269E-02 -0.14598E-02 5677 0.252E-01 0.229E-01 RMM: 4 -0.327985394942E+03 0.44851E-03 -0.11003E-03 4915 0.698E-02 0.969E-02 RMM: 5 -0.327985346892E+03 0.48050E-04 -0.14374E-04 3979 0.294E-02 0.864E-02 RMM: 6 -0.327985306196E+03 0.40696E-04 -0.31339E-05 2813 0.169E-02 0.521E-02 RMM: 7 -0.327985312600E+03 -0.64036E-05 -0.25127E-05 2590 0.153E-02 424 T= 6921. E= 0.67460409E+03 F= 0.62828368E+03 E0= 0.65649336E+03 EK= 0.56360E+02 SP= -.10E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327538654824E+03 0.44665E+00 -0.13218E-01 8120 0.242E+01 0.233E-01 RMM: 2 -0.327560641120E+03 -0.21986E-01 -0.15546E-01 5165 0.882E-01 0.108E+00 RMM: 3 -0.327551668283E+03 0.89728E-02 -0.15431E-02 5715 0.254E-01 0.215E-01 RMM: 4 -0.327551253136E+03 0.41515E-03 -0.10517E-03 4992 0.668E-02 0.100E-01 RMM: 5 -0.327551197705E+03 0.55431E-04 -0.13243E-04 3855 0.303E-02 0.874E-02 RMM: 6 -0.327551156076E+03 0.41630E-04 -0.34165E-05 2910 0.174E-02 0.535E-02 RMM: 7 -0.327551157615E+03 -0.15391E-05 -0.38016E-05 2864 0.185E-02 425 T= 6861. E= 0.67460628E+03 F= 0.62871783E+03 E0= 0.65689690E+03 EK= 0.55873E+02 SP= -.10E+02 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327269672279E+03 0.28148E+00 -0.11901E-01 8016 0.243E+01 0.221E-01 RMM: 2 -0.327288693465E+03 -0.19021E-01 -0.12520E-01 5123 0.807E-01 0.108E+00 RMM: 3 -0.327280049632E+03 0.86438E-02 -0.13021E-02 5714 0.233E-01 0.194E-01 RMM: 4 -0.327279712793E+03 0.33684E-03 -0.96986E-04 4764 0.669E-02 0.107E-01 RMM: 5 -0.327279645028E+03 0.67765E-04 -0.13171E-04 3908 0.277E-02 0.821E-02 RMM: 6 -0.327279608470E+03 0.36557E-04 -0.28166E-05 2696 0.163E-02 0.480E-02 RMM: 7 -0.327279611531E+03 -0.30604E-05 -0.23082E-05 2557 0.148E-02 426 T= 6819. E= 0.67460851E+03 F= 0.62898938E+03 E0= 0.65714505E+03 EK= 0.55534E+02 SP= -.99E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327192507944E+03 0.87101E-01 -0.11561E-01 7680 0.244E+01 0.242E-01 RMM: 2 -0.327210969490E+03 -0.18462E-01 -0.12243E-01 5126 0.817E-01 0.108E+00 RMM: 3 -0.327202521344E+03 0.84481E-02 -0.13617E-02 5612 0.240E-01 0.198E-01 RMM: 4 -0.327202192252E+03 0.32909E-03 -0.10104E-03 4933 0.647E-02 0.999E-02 RMM: 5 -0.327202133160E+03 0.59091E-04 -0.12689E-04 3929 0.288E-02 0.843E-02 RMM: 6 -0.327202092414E+03 0.40746E-04 -0.31787E-05 2855 0.170E-02 0.450E-02 RMM: 7 -0.327202094786E+03 -0.23715E-05 -0.23023E-05 2559 0.145E-02 427 T= 6800. E= 0.67460957E+03 F= 0.62906689E+03 E0= 0.65720933E+03 EK= 0.55376E+02 SP= -.98E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327327898263E+03 -0.12581E+00 -0.10785E-01 7728 0.245E+01 0.216E-01 RMM: 2 -0.327343247563E+03 -0.15349E-01 -0.98594E-02 5103 0.757E-01 0.101E+00 RMM: 3 -0.327336057107E+03 0.71905E-02 -0.10783E-02 5598 0.215E-01 0.189E-01 RMM: 4 -0.327335782948E+03 0.27416E-03 -0.82565E-04 4686 0.627E-02 0.103E-01 RMM: 5 -0.327335718575E+03 0.64372E-04 -0.11982E-04 3870 0.271E-02 0.790E-02 RMM: 6 -0.327335682967E+03 0.35609E-04 -0.27215E-05 2633 0.160E-02 0.408E-02 RMM: 7 -0.327335683617E+03 -0.65038E-06 -0.19063E-05 2509 0.135E-02 428 T= 6805. E= 0.67460966E+03 F= 0.62893331E+03 E0= 0.65707417E+03 EK= 0.55416E+02 SP= -.98E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327672545616E+03 -0.33686E+00 -0.10126E-01 7648 0.246E+01 0.234E-01 RMM: 2 -0.327686190557E+03 -0.13645E-01 -0.80096E-02 5229 0.705E-01 0.104E+00 RMM: 3 -0.327678714911E+03 0.74756E-02 -0.87435E-03 5443 0.209E-01 0.184E-01 RMM: 4 -0.327678504241E+03 0.21067E-03 -0.77197E-04 4658 0.586E-02 0.101E-01 RMM: 5 -0.327678449248E+03 0.54993E-04 -0.11025E-04 3838 0.281E-02 0.853E-02 RMM: 6 -0.327678405027E+03 0.44221E-04 -0.32496E-05 2888 0.173E-02 0.393E-02 RMM: 7 -0.327678405597E+03 -0.57005E-06 -0.19724E-05 2516 0.136E-02 429 T= 6834. E= 0.67460820E+03 F= 0.62859058E+03 E0= 0.65674290E+03 EK= 0.55651E+02 SP= -.97E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328195012145E+03 -0.51661E+00 -0.10473E-01 7688 0.247E+01 0.205E-01 RMM: 2 -0.328209043231E+03 -0.14031E-01 -0.96976E-02 4990 0.767E-01 0.924E-01 RMM: 3 -0.328203207556E+03 0.58357E-02 -0.11109E-02 5649 0.214E-01 0.176E-01 RMM: 4 -0.328202958833E+03 0.24872E-03 -0.74320E-04 4708 0.606E-02 0.107E-01 RMM: 5 -0.328202887359E+03 0.71475E-04 -0.11552E-04 3781 0.284E-02 0.762E-02 RMM: 6 -0.328202854848E+03 0.32511E-04 -0.28214E-05 2613 0.161E-02 0.418E-02 RMM: 7 -0.328202852677E+03 0.21705E-05 -0.18827E-05 2504 0.135E-02 430 T= 6883. E= 0.67460495E+03 F= 0.62806614E+03 E0= 0.65624169E+03 EK= 0.56052E+02 SP= -.95E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328849593157E+03 -0.64674E+00 -0.10421E-01 7712 0.248E+01 0.219E-01 RMM: 2 -0.328862837230E+03 -0.13244E-01 -0.91858E-02 5116 0.743E-01 0.916E-01 RMM: 3 -0.328856974779E+03 0.58625E-02 -0.10151E-02 5643 0.214E-01 0.188E-01 RMM: 4 -0.328856697338E+03 0.27744E-03 -0.75797E-04 4691 0.595E-02 0.103E-01 RMM: 5 -0.328856644765E+03 0.52573E-04 -0.11571E-04 3811 0.284E-02 0.873E-02 RMM: 6 -0.328856600166E+03 0.44599E-04 -0.30861E-05 2756 0.171E-02 0.437E-02 RMM: 7 -0.328856596022E+03 0.41445E-05 -0.17686E-05 2504 0.131E-02 431 T= 6946. E= 0.67460044E+03 F= 0.62741239E+03 E0= 0.65562140E+03 EK= 0.56564E+02 SP= -.94E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329561698628E+03 -0.70510E+00 -0.10934E-01 7808 0.249E+01 0.201E-01 RMM: 2 -0.329577086132E+03 -0.15388E-01 -0.10504E-01 5087 0.768E-01 0.966E-01 RMM: 3 -0.329570543278E+03 0.65429E-02 -0.11408E-02 5756 0.215E-01 0.193E-01 RMM: 4 -0.329570216465E+03 0.32681E-03 -0.75065E-04 4687 0.612E-02 0.997E-02 RMM: 5 -0.329570156323E+03 0.60141E-04 -0.11385E-04 3767 0.279E-02 0.790E-02 RMM: 6 -0.329570125176E+03 0.31147E-04 -0.26703E-05 2608 0.158E-02 0.495E-02 RMM: 7 -0.329570121552E+03 0.36249E-05 -0.20520E-05 2537 0.137E-02 432 T= 7014. E= 0.67459576E+03 F= 0.62669887E+03 E0= 0.65494790E+03 EK= 0.57117E+02 SP= -.93E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330262456323E+03 -0.69233E+00 -0.11344E-01 7984 0.249E+01 0.210E-01 RMM: 2 -0.330276719498E+03 -0.14263E-01 -0.10259E-01 5159 0.748E-01 0.906E-01 RMM: 3 -0.330270806669E+03 0.59128E-02 -0.10776E-02 5724 0.218E-01 0.198E-01 RMM: 4 -0.330270511300E+03 0.29537E-03 -0.79130E-04 4700 0.607E-02 0.106E-01 RMM: 5 -0.330270449476E+03 0.61825E-04 -0.11774E-04 3788 0.283E-02 0.865E-02 RMM: 6 -0.330270407772E+03 0.41704E-04 -0.29885E-05 2757 0.170E-02 0.468E-02 RMM: 7 -0.330270404351E+03 0.34212E-05 -0.17778E-05 2511 0.132E-02 433 T= 7077. E= 0.67459181E+03 F= 0.62599858E+03 E0= 0.65429139E+03 EK= 0.57634E+02 SP= -.91E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330887163532E+03 -0.61676E+00 -0.11480E-01 8152 0.249E+01 0.210E-01 RMM: 2 -0.330903152446E+03 -0.15989E-01 -0.10578E-01 5177 0.750E-01 0.998E-01 RMM: 3 -0.330895791388E+03 0.73611E-02 -0.10683E-02 5701 0.219E-01 0.213E-01 RMM: 4 -0.330895445133E+03 0.34626E-03 -0.83609E-04 4694 0.631E-02 0.973E-02 RMM: 5 -0.330895391658E+03 0.53475E-04 -0.11788E-04 3768 0.283E-02 0.783E-02 RMM: 6 -0.330895360261E+03 0.31397E-04 -0.26100E-05 2612 0.156E-02 0.496E-02 RMM: 7 -0.330895359112E+03 0.11490E-05 -0.20503E-05 2538 0.139E-02 434 T= 7129. E= 0.67458896E+03 F= 0.62537363E+03 E0= 0.65370951E+03 EK= 0.58051E+02 SP= -.89E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331393104183E+03 -0.49774E+00 -0.11836E-01 8064 0.248E+01 0.191E-01 RMM: 2 -0.331407225808E+03 -0.14122E-01 -0.10727E-01 5200 0.742E-01 0.838E-01 RMM: 3 -0.331401832766E+03 0.53930E-02 -0.10547E-02 5904 0.210E-01 0.163E-01 RMM: 4 -0.331401626100E+03 0.20667E-03 -0.66688E-04 4725 0.561E-02 0.114E-01 RMM: 5 -0.331401548696E+03 0.77403E-04 -0.10183E-04 3658 0.266E-02 0.748E-02 RMM: 6 -0.331401520747E+03 0.27950E-04 -0.26851E-05 2624 0.158E-02 0.443E-02 RMM: 7 -0.331401519537E+03 0.12099E-05 -0.21269E-05 2543 0.139E-02 435 T= 7162. E= 0.67458712E+03 F= 0.62486747E+03 E0= 0.65324417E+03 EK= 0.58323E+02 SP= -.87E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331755110251E+03 -0.35359E+00 -0.11773E-01 8128 0.247E+01 0.194E-01 RMM: 2 -0.331770989544E+03 -0.15879E-01 -0.11687E-01 5111 0.774E-01 0.906E-01 RMM: 3 -0.331764570711E+03 0.64188E-02 -0.11157E-02 5975 0.216E-01 0.168E-01 RMM: 4 -0.331764318555E+03 0.25216E-03 -0.67315E-04 4707 0.578E-02 0.109E-01 RMM: 5 -0.331764249093E+03 0.69462E-04 -0.10295E-04 3648 0.278E-02 0.715E-02 RMM: 6 -0.331764223399E+03 0.25694E-04 -0.26164E-05 2613 0.156E-02 0.456E-02 RMM: 7 -0.331764223917E+03 -0.51844E-06 -0.20879E-05 2532 0.139E-02 436 T= 7174. E= 0.67458648E+03 F= 0.62450477E+03 E0= 0.65291694E+03 EK= 0.58424E+02 SP= -.85E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331966948446E+03 -0.20273E+00 -0.12253E-01 8192 0.246E+01 0.186E-01 RMM: 2 -0.331982550746E+03 -0.15602E-01 -0.12437E-01 5041 0.802E-01 0.828E-01 RMM: 3 -0.331977300316E+03 0.52504E-02 -0.12621E-02 6040 0.221E-01 0.156E-01 RMM: 4 -0.331977028130E+03 0.27219E-03 -0.66044E-04 4804 0.571E-02 0.106E-01 RMM: 5 -0.331976958717E+03 0.69412E-04 -0.95604E-05 3678 0.265E-02 0.678E-02 RMM: 6 -0.331976936837E+03 0.21881E-04 -0.24403E-05 2561 0.152E-02 0.420E-02 RMM: 7 -0.331976938440E+03 -0.16037E-05 -0.18691E-05 2512 0.133E-02 437 T= 7165. E= 0.67458646E+03 F= 0.62429205E+03 E0= 0.65273429E+03 EK= 0.58347E+02 SP= -.82E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332037452944E+03 -0.60516E-01 -0.12586E-01 8256 0.245E+01 0.183E-01 RMM: 2 -0.332052691174E+03 -0.15238E-01 -0.11996E-01 5121 0.782E-01 0.837E-01 RMM: 3 -0.332047176759E+03 0.55144E-02 -0.11274E-02 6080 0.213E-01 0.159E-01 RMM: 4 -0.332046923726E+03 0.25303E-03 -0.62239E-04 4744 0.557E-02 0.105E-01 RMM: 5 -0.332046862488E+03 0.61238E-04 -0.94467E-05 3592 0.267E-02 0.705E-02 RMM: 6 -0.332046837014E+03 0.25475E-04 -0.25371E-05 2604 0.155E-02 0.423E-02 RMM: 7 -0.332046838078E+03 -0.10646E-05 -0.19682E-05 2510 0.136E-02 438 T= 7135. E= 0.67458771E+03 F= 0.62422215E+03 E0= 0.65268756E+03 EK= 0.58101E+02 SP= -.79E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331985658791E+03 0.61178E-01 -0.13060E-01 8160 0.244E+01 0.190E-01 RMM: 2 -0.332001960864E+03 -0.16302E-01 -0.12973E-01 4994 0.821E-01 0.841E-01 RMM: 3 -0.331996446976E+03 0.55139E-02 -0.13504E-02 6032 0.228E-01 0.163E-01 RMM: 4 -0.331996130861E+03 0.31612E-03 -0.69570E-04 4822 0.586E-02 0.101E-01 RMM: 5 -0.331996077364E+03 0.53497E-04 -0.10085E-04 3715 0.269E-02 0.752E-02 RMM: 6 -0.331996047199E+03 0.30165E-04 -0.26004E-05 2582 0.157E-02 0.412E-02 RMM: 7 -0.331996047415E+03 -0.21555E-06 -0.18797E-05 2512 0.133E-02 439 T= 7087. E= 0.67458984E+03 F= 0.62427294E+03 E0= 0.65275486E+03 EK= 0.57711E+02 SP= -.76E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331848773590E+03 0.14727E+00 -0.13097E-01 8248 0.244E+01 0.184E-01 RMM: 2 -0.331864372908E+03 -0.15599E-01 -0.12465E-01 5010 0.806E-01 0.831E-01 RMM: 3 -0.331858981889E+03 0.53910E-02 -0.12416E-02 6054 0.222E-01 0.167E-01 RMM: 4 -0.331858676774E+03 0.30511E-03 -0.65966E-04 4774 0.581E-02 0.983E-02 RMM: 5 -0.331858628569E+03 0.48204E-04 -0.93635E-05 3620 0.268E-02 0.742E-02 RMM: 6 -0.331858600878E+03 0.27691E-04 -0.24669E-05 2581 0.152E-02 0.438E-02 RMM: 7 -0.331858600751E+03 0.12702E-06 -0.18726E-05 2507 0.134E-02 440 T= 7026. E= 0.67459245E+03 F= 0.62441039E+03 E0= 0.65290079E+03 EK= 0.57212E+02 SP= -.73E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331667068247E+03 0.19153E+00 -0.12849E-01 8208 0.243E+01 0.187E-01 RMM: 2 -0.331681803259E+03 -0.14735E-01 -0.11594E-01 5023 0.781E-01 0.812E-01 RMM: 3 -0.331676556802E+03 0.52465E-02 -0.11769E-02 6011 0.220E-01 0.163E-01 RMM: 4 -0.331676305786E+03 0.25102E-03 -0.65031E-04 4780 0.568E-02 0.101E-01 RMM: 5 -0.331676248744E+03 0.57042E-04 -0.92483E-05 3687 0.262E-02 0.737E-02 RMM: 6 -0.331676221166E+03 0.27578E-04 -0.25293E-05 2579 0.154E-02 0.433E-02 RMM: 7 -0.331676219418E+03 0.17484E-05 -0.23574E-05 2578 0.145E-02 441 T= 6957. E= 0.67459530E+03 F= 0.62459277E+03 E0= 0.65308356E+03 EK= 0.56651E+02 SP= -.69E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331483231218E+03 0.19299E+00 -0.13147E-01 7936 0.242E+01 0.181E-01 RMM: 2 -0.331499606617E+03 -0.16375E-01 -0.13139E-01 4855 0.847E-01 0.834E-01 RMM: 3 -0.331494507275E+03 0.50993E-02 -0.14671E-02 5996 0.233E-01 0.176E-01 RMM: 4 -0.331494124862E+03 0.38241E-03 -0.73713E-04 4745 0.630E-02 0.989E-02 RMM: 5 -0.331494073705E+03 0.51157E-04 -0.10656E-04 3759 0.280E-02 0.735E-02 RMM: 6 -0.331494048378E+03 0.25326E-04 -0.25814E-05 2579 0.154E-02 0.458E-02 RMM: 7 -0.331494048412E+03 -0.33475E-07 -0.20454E-05 2529 0.141E-02 442 T= 6886. E= 0.67459814E+03 F= 0.62477494E+03 E0= 0.65325732E+03 EK= 0.56075E+02 SP= -.65E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331344402132E+03 0.14965E+00 -0.12423E-01 7848 0.241E+01 0.181E-01 RMM: 2 -0.331357066392E+03 -0.12664E-01 -0.97787E-02 4951 0.736E-01 0.776E-01 RMM: 3 -0.331352479673E+03 0.45867E-02 -0.10568E-02 5827 0.213E-01 0.168E-01 RMM: 4 -0.331352247868E+03 0.23180E-03 -0.61914E-04 4780 0.548E-02 0.891E-02 RMM: 5 -0.331352203278E+03 0.44591E-04 -0.84805E-05 3608 0.254E-02 0.712E-02 RMM: 6 -0.331352177469E+03 0.25808E-04 -0.24641E-05 2572 0.152E-02 0.413E-02 RMM: 7 -0.331352176545E+03 0.92419E-06 -0.24931E-05 2586 0.152E-02 443 T= 6819. E= 0.67459965E+03 F= 0.62491681E+03 E0= 0.65338291E+03 EK= 0.55527E+02 SP= -.62E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331261079084E+03 0.91098E-01 -0.12171E-01 7792 0.241E+01 0.166E-01 RMM: 2 -0.331273155307E+03 -0.12076E-01 -0.94154E-02 4874 0.736E-01 0.763E-01 RMM: 3 -0.331269078982E+03 0.40763E-02 -0.10618E-02 5928 0.203E-01 0.164E-01 RMM: 4 -0.331268804822E+03 0.27416E-03 -0.57366E-04 4644 0.568E-02 0.900E-02 RMM: 5 -0.331268764753E+03 0.40069E-04 -0.86409E-05 3553 0.256E-02 0.700E-02 RMM: 6 -0.331268739347E+03 0.25406E-04 -0.25496E-05 2584 0.158E-02 0.367E-02 RMM: 7 -0.331268741869E+03 -0.25220E-05 -0.17003E-05 2504 0.128E-02 444 T= 6757. E= 0.67459922E+03 F= 0.62500025E+03 E0= 0.65344360E+03 EK= 0.55026E+02 SP= -.58E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331222987280E+03 0.45752E-01 -0.11754E-01 7848 0.241E+01 0.165E-01 RMM: 2 -0.331233205648E+03 -0.10218E-01 -0.84206E-02 4852 0.700E-01 0.667E-01 RMM: 3 -0.331230022057E+03 0.31836E-02 -0.97728E-03 5854 0.201E-01 0.126E-01 RMM: 4 -0.331229866572E+03 0.15548E-03 -0.51185E-04 4900 0.492E-02 0.933E-02 RMM: 5 -0.331229813209E+03 0.53363E-04 -0.68402E-05 3440 0.247E-02 0.597E-02 RMM: 6 -0.331229795769E+03 0.17440E-04 -0.23336E-05 2548 0.148E-02 445 T= 6700. E= 0.67459691E+03 F= 0.62503919E+03 E0= 0.65345604E+03 EK= 0.54561E+02 SP= -.53E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331180067972E+03 0.49745E-01 -0.12497E-01 7720 0.241E+01 0.181E-01 RMM: 2 -0.331194781466E+03 -0.14713E-01 -0.11313E-01 4712 0.814E-01 0.822E-01 RMM: 3 -0.331190058909E+03 0.47226E-02 -0.14153E-02 5787 0.235E-01 0.174E-01 RMM: 4 -0.331189719065E+03 0.33984E-03 -0.77348E-04 5046 0.589E-02 0.751E-02 RMM: 5 -0.331189688849E+03 0.30216E-04 -0.92238E-05 3754 0.269E-02 0.669E-02 RMM: 6 -0.331189671223E+03 0.17626E-04 -0.23481E-05 2555 0.147E-02 446 T= 6642. E= 0.67459366E+03 F= 0.62507932E+03 E0= 0.65346946E+03 EK= 0.54090E+02 SP= -.49E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331078758724E+03 0.11093E+00 -0.12154E-01 7768 0.241E+01 0.289E-01 RMM: 2 -0.331103721678E+03 -0.24963E-01 -0.10137E-01 4873 0.779E-01 0.157E+00 RMM: 3 -0.331086805109E+03 0.16917E-01 -0.14025E-02 5404 0.279E-01 0.292E-01 RMM: 4 -0.331086162171E+03 0.64294E-03 -0.14281E-03 4780 0.789E-02 0.878E-02 RMM: 5 -0.331086143580E+03 0.18591E-04 -0.17404E-04 3994 0.319E-02 447 T= 6576. E= 0.67459099E+03 F= 0.62518285E+03 E0= 0.65354902E+03 EK= 0.53554E+02 SP= -.45E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330849782998E+03 0.23638E+00 -0.12208E-01 7848 0.241E+01 0.213E-01 RMM: 2 -0.330871400933E+03 -0.21618E-01 -0.12910E-01 4876 0.818E-01 0.120E+00 RMM: 3 -0.330861129168E+03 0.10272E-01 -0.15128E-02 5523 0.256E-01 0.250E-01 RMM: 4 -0.330860635898E+03 0.49327E-03 -0.11987E-03 4985 0.702E-02 0.102E-01 RMM: 5 -0.330860587877E+03 0.48022E-04 -0.12932E-04 4147 0.286E-02 0.849E-02 RMM: 6 -0.330860567314E+03 0.20562E-04 -0.28426E-05 2583 0.157E-02 0.781E-02 RMM: 7 -0.330860612949E+03 -0.45635E-04 -0.10610E-04 3889 0.244E-02 0.124E-01 RMM: 8 -0.330860518432E+03 0.94517E-04 -0.12356E-04 3893 0.273E-02 0.384E-02 RMM: 9 -0.330860515260E+03 0.31719E-05 -0.21216E-05 2589 0.136E-02 448 T= 6496. E= 0.67458990E+03 F= 0.62540847E+03 E0= 0.65375757E+03 EK= 0.52900E+02 SP= -.41E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330471002980E+03 0.38952E+00 -0.12274E-01 7696 0.240E+01 0.259E-01 RMM: 2 -0.330488594591E+03 -0.17592E-01 -0.12925E-01 4794 0.834E-01 0.100E+00 RMM: 3 -0.330481624754E+03 0.69698E-02 -0.15170E-02 5824 0.240E-01 0.203E-01 RMM: 4 -0.330481432876E+03 0.19188E-03 -0.11846E-03 4797 0.797E-02 0.215E-01 RMM: 5 -0.330481150089E+03 0.28279E-03 -0.23735E-04 3885 0.397E-02 0.853E-02 RMM: 6 -0.330481111001E+03 0.39088E-04 -0.56471E-05 3295 0.221E-02 0.412E-02 RMM: 7 -0.330481128769E+03 -0.17767E-04 -0.31329E-05 2650 0.169E-02 449 T= 6398. E= 0.67459104E+03 F= 0.62578786E+03 E0= 0.65412670E+03 EK= 0.52100E+02 SP= -.37E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329952001106E+03 0.52911E+00 -0.12356E-01 8072 0.238E+01 0.134E-01 RMM: 2 -0.329963893182E+03 -0.11892E-01 -0.11084E-01 5199 0.731E-01 0.524E-01 RMM: 3 -0.329961367467E+03 0.25257E-02 -0.10403E-02 6278 0.187E-01 0.113E-01 RMM: 4 -0.329961136212E+03 0.23125E-03 -0.39240E-04 4657 0.451E-02 0.910E-02 RMM: 5 -0.329961083171E+03 0.53042E-04 -0.43902E-05 2887 0.215E-02 0.627E-02 RMM: 6 -0.329961079886E+03 0.32850E-05 -0.21931E-05 2529 0.138E-02 450 T= 6284. E= 0.67459559E+03 F= 0.62630791E+03 E0= 0.65464499E+03 EK= 0.51174E+02 SP= -.32E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329353678191E+03 0.60740E+00 -0.13033E-01 8032 0.236E+01 0.237E-01 RMM: 2 -0.329376991912E+03 -0.23314E-01 -0.13227E-01 4877 0.824E-01 0.130E+00 RMM: 3 -0.329364800249E+03 0.12192E-01 -0.15479E-02 5604 0.257E-01 0.220E-01 RMM: 4 -0.329364360617E+03 0.43963E-03 -0.11598E-03 5132 0.666E-02 0.855E-02 RMM: 5 -0.329364314268E+03 0.46349E-04 -0.11444E-04 3849 0.280E-02 0.731E-02 RMM: 6 -0.329364291682E+03 0.22587E-04 -0.25181E-05 2580 0.146E-02 0.590E-02 RMM: 7 -0.329364312108E+03 -0.20426E-04 -0.65449E-05 3431 0.216E-02 0.916E-02 RMM: 8 -0.329364253942E+03 0.58167E-04 -0.94191E-05 3857 0.211E-02 0.312E-02 RMM: 9 -0.329364249824E+03 0.41171E-05 -0.13809E-05 2507 0.107E-02 451 T= 6163. E= 0.67460285E+03 F= 0.62690474E+03 E0= 0.65524849E+03 EK= 0.50189E+02 SP= -.28E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328783115581E+03 0.58114E+00 -0.11891E-01 7984 0.233E+01 0.251E-01 RMM: 2 -0.328802116630E+03 -0.19001E-01 -0.11665E-01 5072 0.760E-01 0.115E+00 RMM: 3 -0.328792390842E+03 0.97258E-02 -0.12608E-02 5633 0.237E-01 0.217E-01 RMM: 4 -0.328792100141E+03 0.29070E-03 -0.11738E-03 4717 0.753E-02 0.150E-01 RMM: 5 -0.328791974565E+03 0.12558E-03 -0.17082E-04 3881 0.320E-02 0.989E-02 RMM: 6 -0.328791914373E+03 0.60192E-04 -0.37251E-05 2981 0.187E-02 0.388E-02 RMM: 7 -0.328791919056E+03 -0.46829E-05 -0.30491E-05 2639 0.156E-02 452 T= 6048. E= 0.67461077E+03 F= 0.62747707E+03 E0= 0.65583391E+03 EK= 0.49249E+02 SP= -.24E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328342795329E+03 0.44912E+00 -0.11659E-01 8400 0.230E+01 0.171E-01 RMM: 2 -0.328357638453E+03 -0.14843E-01 -0.10896E-01 5108 0.731E-01 0.858E-01 RMM: 3 -0.328352025291E+03 0.56132E-02 -0.10678E-02 5855 0.199E-01 0.174E-01 RMM: 4 -0.328351712258E+03 0.31303E-03 -0.62443E-04 4674 0.550E-02 0.836E-02 RMM: 5 -0.328351676141E+03 0.36118E-04 -0.78030E-05 3593 0.234E-02 0.635E-02 RMM: 6 -0.328351663769E+03 0.12372E-04 -0.21552E-05 2543 0.140E-02 453 T= 5951. E= 0.67461653E+03 F= 0.62791733E+03 E0= 0.65629170E+03 EK= 0.48461E+02 SP= -.20E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328107832797E+03 0.24384E+00 -0.11213E-01 8232 0.228E+01 0.254E-01 RMM: 2 -0.328130343652E+03 -0.22511E-01 -0.98212E-02 5041 0.706E-01 0.143E+00 RMM: 3 -0.328115626254E+03 0.14717E-01 -0.11626E-02 5427 0.244E-01 0.230E-01 RMM: 4 -0.328115248726E+03 0.37753E-03 -0.11398E-03 4967 0.653E-02 0.861E-02 RMM: 5 -0.328115205815E+03 0.42911E-04 -0.10869E-04 3790 0.274E-02 0.741E-02 RMM: 6 -0.328115181877E+03 0.23938E-04 -0.23797E-05 2583 0.145E-02 0.557E-02 RMM: 7 -0.328115196373E+03 -0.14496E-04 -0.36894E-05 2893 0.179E-02 454 T= 5882. E= 0.67461723E+03 F= 0.62815379E+03 E0= 0.65654637E+03 EK= 0.47896E+02 SP= -.17E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328075505383E+03 0.39676E-01 -0.11250E-01 8080 0.227E+01 0.268E-01 RMM: 2 -0.328098323147E+03 -0.22818E-01 -0.11321E-01 4841 0.764E-01 0.138E+00 RMM: 3 -0.328084851540E+03 0.13472E-01 -0.13926E-02 5440 0.261E-01 0.277E-01 RMM: 4 -0.328084284152E+03 0.56739E-03 -0.14306E-03 4771 0.784E-02 0.983E-02 RMM: 5 -0.328084308101E+03 -0.23949E-04 -0.20888E-04 3898 0.356E-02 0.117E-01 RMM: 6 -0.328084216731E+03 0.91370E-04 -0.55631E-05 3262 0.219E-02 0.370E-02 RMM: 7 -0.328084218101E+03 -0.13702E-05 -0.18329E-05 2523 0.136E-02 455 T= 5840. E= 0.67461314E+03 F= 0.62818477E+03 E0= 0.65659594E+03 EK= 0.47556E+02 SP= -.13E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328181209722E+03 -0.96993E-01 -0.10745E-01 8480 0.228E+01 0.287E-01 RMM: 2 -0.328205821511E+03 -0.24612E-01 -0.11153E-01 4995 0.762E-01 0.151E+00 RMM: 3 -0.328190243812E+03 0.15578E-01 -0.13846E-02 5463 0.262E-01 0.308E-01 RMM: 4 -0.328189489451E+03 0.75436E-03 -0.14318E-03 4828 0.776E-02 0.883E-02 RMM: 5 -0.328189460523E+03 0.28928E-04 -0.17763E-04 3954 0.311E-02 0.785E-02 RMM: 6 -0.328189422432E+03 0.38091E-04 -0.28620E-05 2688 0.160E-02 0.473E-02 RMM: 7 -0.328189427842E+03 -0.54103E-05 -0.19923E-05 2536 0.140E-02 456 T= 5817. E= 0.67460630E+03 F= 0.62807956E+03 E0= 0.65650605E+03 EK= 0.47374E+02 SP= -.10E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328314897696E+03 -0.12548E+00 -0.11536E-01 8520 0.228E+01 0.200E-01 RMM: 2 -0.328332755259E+03 -0.17858E-01 -0.11829E-01 5008 0.753E-01 0.104E+00 RMM: 3 -0.328324977196E+03 0.77781E-02 -0.12519E-02 5597 0.225E-01 0.183E-01 RMM: 4 -0.328324662666E+03 0.31453E-03 -0.94104E-04 5257 0.589E-02 0.830E-02 RMM: 5 -0.328324617471E+03 0.45196E-04 -0.91363E-05 3652 0.264E-02 0.678E-02 RMM: 6 -0.328324597257E+03 0.20213E-04 -0.23993E-05 2573 0.147E-02 0.502E-02 RMM: 7 -0.328324596016E+03 0.12417E-05 -0.38547E-05 2751 0.177E-02 457 T= 5802. E= 0.67459927E+03 F= 0.62794439E+03 E0= 0.65638411E+03 EK= 0.47246E+02 SP= -.74E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328384997327E+03 -0.60400E-01 -0.11517E-01 8368 0.230E+01 0.212E-01 RMM: 2 -0.328403315554E+03 -0.18318E-01 -0.11806E-01 5069 0.740E-01 0.106E+00 RMM: 3 -0.328395005922E+03 0.83096E-02 -0.11796E-02 5627 0.220E-01 0.234E-01 RMM: 4 -0.328394550911E+03 0.45501E-03 -0.96894E-04 4798 0.653E-02 0.913E-02 RMM: 5 -0.328394503733E+03 0.47179E-04 -0.12510E-04 3880 0.273E-02 0.765E-02 RMM: 6 -0.328394472058E+03 0.31675E-04 -0.25587E-05 2646 0.151E-02 0.548E-02 RMM: 7 -0.328394472291E+03 -0.23321E-06 -0.33619E-05 2647 0.166E-02 458 T= 5781. E= 0.67459501E+03 F= 0.62787452E+03 E0= 0.65632353E+03 EK= 0.47080E+02 SP= -.48E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328344843399E+03 0.49629E-01 -0.11983E-01 8680 0.230E+01 0.194E-01 RMM: 2 -0.328361774300E+03 -0.16931E-01 -0.12068E-01 5314 0.725E-01 0.949E-01 RMM: 3 -0.328354911728E+03 0.68626E-02 -0.10832E-02 5772 0.202E-01 0.191E-01 RMM: 4 -0.328354567561E+03 0.34417E-03 -0.73449E-04 4970 0.545E-02 0.834E-02 RMM: 5 -0.328354518681E+03 0.48880E-04 -0.78640E-05 3675 0.224E-02 0.695E-02 RMM: 6 -0.328354503129E+03 0.15552E-04 -0.20711E-05 2567 0.135E-02 459 T= 5751. E= 0.67459560E+03 F= 0.62791449E+03 E0= 0.65636999E+03 EK= 0.46834E+02 SP= -.25E+00 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328218962651E+03 0.13556E+00 -0.12640E-01 8224 0.229E+01 0.226E-01 RMM: 2 -0.328241500829E+03 -0.22538E-01 -0.14061E-01 5152 0.791E-01 0.119E+00 RMM: 3 -0.328230904530E+03 0.10596E-01 -0.13888E-02 5581 0.240E-01 0.226E-01 RMM: 4 -0.328230458642E+03 0.44589E-03 -0.10710E-03 5088 0.636E-02 0.101E-01 RMM: 5 -0.328230400725E+03 0.57916E-04 -0.93597E-05 3798 0.245E-02 0.848E-02 RMM: 6 -0.328230384489E+03 0.16237E-04 -0.21602E-05 2557 0.133E-02 460 T= 5714. E= 0.67460000E+03 F= 0.62803860E+03 E0= 0.65649820E+03 EK= 0.46535E+02 SP= -.45E-01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328098267089E+03 0.13213E+00 -0.12158E-01 8456 0.228E+01 0.494E-01 RMM: 2 -0.328161326208E+03 -0.63059E-01 -0.14355E-01 5145 0.876E-01 0.273E+00 RMM: 3 -0.328108714463E+03 0.52612E-01 -0.27263E-02 5353 0.408E-01 0.534E-01 RMM: 4 -0.328106593722E+03 0.21207E-02 -0.34890E-03 5332 0.123E-01 0.118E-01 RMM: 5 -0.328106543903E+03 0.49819E-04 -0.41177E-04 4519 0.354E-02 0.107E-01 RMM: 6 -0.328106471405E+03 0.72498E-04 -0.34181E-05 2800 0.170E-02 0.737E-02 RMM: 7 -0.328106485492E+03 -0.14087E-04 -0.53393E-05 3283 0.199E-02 461 T= 5681. E= 0.67460579E+03 F= 0.62816250E+03 E0= 0.65662371E+03 EK= 0.46264E+02 SP= 0.13E+00 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328076844451E+03 0.29627E-01 -0.11657E-01 8024 0.226E+01 0.476E-01 RMM: 2 -0.328139657401E+03 -0.62813E-01 -0.15061E-01 4946 0.878E-01 0.272E+00 RMM: 3 -0.328087805066E+03 0.51852E-01 -0.27337E-02 5365 0.405E-01 0.485E-01 RMM: 4 -0.328086161461E+03 0.16436E-02 -0.35158E-03 5332 0.123E-01 0.154E-01 RMM: 5 -0.328086249692E+03 -0.88231E-04 -0.50307E-04 4024 0.498E-02 0.198E-01 RMM: 6 -0.328085999226E+03 0.25047E-03 -0.15376E-04 3879 0.350E-02 0.595E-02 RMM: 7 -0.328085987431E+03 0.11795E-04 -0.30285E-05 2853 0.158E-02 462 T= 5664. E= 0.67461049E+03 F= 0.62818300E+03 E0= 0.65664548E+03 EK= 0.46124E+02 SP= 0.27E+00 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328235169718E+03 -0.14917E+00 -0.10817E-01 7968 0.225E+01 0.339E-01 RMM: 2 -0.328272782222E+03 -0.37613E-01 -0.12967E-01 5084 0.780E-01 0.197E+00 RMM: 3 -0.328245317711E+03 0.27465E-01 -0.17763E-02 5383 0.309E-01 0.354E-01 RMM: 4 -0.328244407856E+03 0.90986E-03 -0.20508E-03 4981 0.890E-02 0.111E-01 RMM: 5 -0.328244337785E+03 0.70071E-04 -0.22414E-04 3957 0.348E-02 0.876E-02 RMM: 6 -0.328244286968E+03 0.50818E-04 -0.35725E-05 2857 0.177E-02 0.567E-02 RMM: 7 -0.328244287340E+03 -0.37228E-06 -0.23316E-05 2556 0.148E-02 463 T= 5672. E= 0.67461152E+03 F= 0.62802470E+03 E0= 0.65648847E+03 EK= 0.46188E+02 SP= 0.38E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328592353639E+03 -0.34807E+00 -0.11523E-01 8312 0.224E+01 0.271E-01 RMM: 2 -0.328617285799E+03 -0.24932E-01 -0.13229E-01 5097 0.772E-01 0.138E+00 RMM: 3 -0.328603125878E+03 0.14160E-01 -0.14475E-02 5470 0.258E-01 0.265E-01 RMM: 4 -0.328602594003E+03 0.53187E-03 -0.14185E-03 4903 0.738E-02 0.998E-02 RMM: 5 -0.328602555739E+03 0.38264E-04 -0.16508E-04 3945 0.320E-02 0.860E-02 RMM: 6 -0.328602509408E+03 0.46331E-04 -0.32306E-05 2894 0.171E-02 0.470E-02 RMM: 7 -0.328602514269E+03 -0.48619E-05 -0.20208E-05 2552 0.142E-02 464 T= 5707. E= 0.67460985E+03 F= 0.62766648E+03 E0= 0.65613204E+03 EK= 0.46475E+02 SP= 0.46E+00 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329125025917E+03 -0.52252E+00 -0.13110E-01 8568 0.224E+01 0.221E-01 RMM: 2 -0.329146517046E+03 -0.21491E-01 -0.15604E-01 5206 0.806E-01 0.103E+00 RMM: 3 -0.329137950636E+03 0.85664E-02 -0.13561E-02 5568 0.235E-01 0.183E-01 RMM: 4 -0.329137683990E+03 0.26665E-03 -0.10806E-03 4886 0.666E-02 0.126E-01 RMM: 5 -0.329137591558E+03 0.92432E-04 -0.12846E-04 3948 0.278E-02 0.844E-02 RMM: 6 -0.329137555777E+03 0.35781E-04 -0.28958E-05 2753 0.162E-02 0.561E-02 RMM: 7 -0.329137563173E+03 -0.73956E-05 -0.36036E-05 2781 0.169E-02 465 T= 5767. E= 0.67460701E+03 F= 0.62713143E+03 E0= 0.65559995E+03 EK= 0.46965E+02 SP= 0.51E+00 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329793263923E+03 -0.65571E+00 -0.15235E-01 8960 0.223E+01 0.256E-01 RMM: 2 -0.329817410920E+03 -0.24147E-01 -0.16366E-01 5270 0.817E-01 0.116E+00 RMM: 3 -0.329806909256E+03 0.10502E-01 -0.13105E-02 5479 0.246E-01 0.251E-01 RMM: 4 -0.329806491786E+03 0.41747E-03 -0.13194E-03 4826 0.733E-02 0.127E-01 RMM: 5 -0.329806421392E+03 0.70394E-04 -0.16435E-04 3942 0.316E-02 0.987E-02 RMM: 6 -0.329806368547E+03 0.52845E-04 -0.38422E-05 3024 0.186E-02 0.604E-02 RMM: 7 -0.329806382590E+03 -0.14043E-04 -0.42266E-05 2936 0.185E-02 466 T= 5847. E= 0.67460399E+03 F= 0.62646261E+03 E0= 0.65493500E+03 EK= 0.47613E+02 SP= 0.53E+00 SK= 0.12E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330546666671E+03 -0.74030E+00 -0.18627E-01 9072 0.223E+01 0.222E-01 RMM: 2 -0.330571436498E+03 -0.24770E-01 -0.20192E-01 5388 0.890E-01 0.929E-01 RMM: 3 -0.330563785508E+03 0.76510E-02 -0.14286E-02 5643 0.240E-01 0.199E-01 RMM: 4 -0.330563465994E+03 0.31951E-03 -0.10999E-03 4881 0.691E-02 0.132E-01 RMM: 5 -0.330563363672E+03 0.10232E-03 -0.13914E-04 3967 0.287E-02 0.862E-02 RMM: 6 -0.330563336064E+03 0.27607E-04 -0.28766E-05 2742 0.162E-02 0.673E-02 RMM: 7 -0.330563345867E+03 -0.98031E-05 -0.52112E-05 3148 0.193E-02 467 T= 5940. E= 0.67460124E+03 F= 0.62570564E+03 E0= 0.65418219E+03 EK= 0.48371E+02 SP= 0.52E+00 SK= 0.48E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331348919366E+03 -0.78558E+00 -0.22971E-01 9208 0.223E+01 0.222E-01 RMM: 2 -0.331377181354E+03 -0.28262E-01 -0.22699E-01 5633 0.918E-01 0.101E+00 RMM: 3 -0.331368189830E+03 0.89915E-02 -0.14328E-02 5585 0.246E-01 0.199E-01 RMM: 4 -0.331367908370E+03 0.28146E-03 -0.11454E-03 4955 0.689E-02 0.146E-01 RMM: 5 -0.331367787694E+03 0.12068E-03 -0.14284E-04 3894 0.303E-02 0.922E-02 RMM: 6 -0.331367754815E+03 0.32880E-04 -0.36760E-05 2953 0.182E-02 0.715E-02 RMM: 7 -0.331367769716E+03 -0.14902E-04 -0.62414E-05 3360 0.206E-02 468 T= 6041. E= 0.67459768E+03 F= 0.62490122E+03 E0= 0.65338176E+03 EK= 0.49197E+02 SP= 0.50E+00 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332159195004E+03 -0.79144E+00 -0.27461E-01 9056 0.224E+01 0.227E-01 RMM: 2 -0.332189213330E+03 -0.30018E-01 -0.25621E-01 6031 0.941E-01 0.924E-01 RMM: 3 -0.332180749408E+03 0.84639E-02 -0.13294E-02 5528 0.240E-01 0.221E-01 RMM: 4 -0.332180455174E+03 0.29423E-03 -0.11985E-03 4926 0.697E-02 0.143E-01 RMM: 5 -0.332180336527E+03 0.11865E-03 -0.14776E-04 3970 0.298E-02 0.969E-02 RMM: 6 -0.332180301573E+03 0.34954E-04 -0.35368E-05 2945 0.180E-02 0.730E-02 RMM: 7 -0.332180323420E+03 -0.21847E-04 -0.59950E-05 3329 0.199E-02 0.989E-02 RMM: 8 -0.332180270454E+03 0.52965E-04 -0.87725E-05 3813 0.226E-02 0.399E-02 RMM: 9 -0.332180266529E+03 0.39252E-05 -0.22005E-05 2578 0.128E-02 469 T= 6146. E= 0.67459447E+03 F= 0.62408872E+03 E0= 0.65257330E+03 EK= 0.50047E+02 SP= 0.45E+00 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332940879282E+03 -0.76061E+00 -0.33750E-01 9024 0.224E+01 0.203E-01 RMM: 2 -0.332971469603E+03 -0.30590E-01 -0.28379E-01 6671 0.971E-01 0.700E-01 RMM: 3 -0.332965738807E+03 0.57308E-02 -0.10783E-02 5523 0.216E-01 0.164E-01 RMM: 4 -0.332965743614E+03 -0.48070E-05 -0.89984E-04 4933 0.627E-02 0.211E-01 RMM: 5 -0.332965449999E+03 0.29362E-03 -0.16875E-04 3896 0.352E-02 0.726E-02 RMM: 6 -0.332965438498E+03 0.11502E-04 -0.40748E-05 3021 0.188E-02 470 T= 6248. E= 0.67459166E+03 F= 0.62330355E+03 E0= 0.65179049E+03 EK= 0.50884E+02 SP= 0.40E+00 SK= 0.78E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333665522411E+03 -0.70007E+00 -0.39908E-01 8944 0.225E+01 0.263E-01 RMM: 2 -0.333708608042E+03 -0.43086E-01 -0.30632E-01 6668 0.998E-01 0.142E+00 RMM: 3 -0.333691904035E+03 0.16704E-01 -0.13177E-02 5427 0.254E-01 0.245E-01 RMM: 4 -0.333691532966E+03 0.37107E-03 -0.13088E-03 5020 0.684E-02 0.131E-01 RMM: 5 -0.333691463241E+03 0.69724E-04 -0.12697E-04 4231 0.267E-02 0.110E-01 RMM: 6 -0.333691448543E+03 0.14698E-04 -0.35706E-05 2884 0.176E-02 471 T= 6345. E= 0.67458834E+03 F= 0.62257754E+03 E0= 0.65106603E+03 EK= 0.51672E+02 SP= 0.33E+00 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334301344956E+03 -0.60988E+00 -0.45882E-01 8848 0.227E+01 0.493E-01 RMM: 2 -0.334383651416E+03 -0.82306E-01 -0.35510E-01 5841 0.110E+00 0.269E+00 RMM: 3 -0.334330098501E+03 0.53553E-01 -0.30344E-02 5362 0.407E-01 0.510E-01 RMM: 4 -0.334328257189E+03 0.18413E-02 -0.38547E-03 5370 0.124E-01 0.155E-01 RMM: 5 -0.334328194435E+03 0.62755E-04 -0.43699E-04 4182 0.414E-02 0.141E-01 RMM: 6 -0.334328100705E+03 0.93730E-04 -0.81780E-05 3574 0.244E-02 0.872E-02 RMM: 7 -0.334328164402E+03 -0.63697E-04 -0.69870E-05 3526 0.218E-02 0.128E-01 RMM: 8 -0.334328100868E+03 0.63535E-04 -0.15641E-04 3897 0.279E-02 0.706E-02 RMM: 9 -0.334328077132E+03 0.23735E-04 -0.40376E-05 3048 0.173E-02 0.365E-02 RMM: 10 -0.334328080419E+03 -0.32865E-05 -0.14677E-05 2512 0.121E-02 472 T= 6432. E= 0.67458453E+03 F= 0.62194091E+03 E0= 0.65043146E+03 EK= 0.52376E+02 SP= 0.26E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334813330909E+03 -0.48525E+00 -0.50972E-01 8800 0.229E+01 0.489E-01 RMM: 2 -0.334888071976E+03 -0.74741E-01 -0.37845E-01 5967 0.112E+00 0.242E+00 RMM: 3 -0.334844062176E+03 0.44010E-01 -0.27822E-02 5377 0.383E-01 0.490E-01 RMM: 4 -0.334842633762E+03 0.14284E-02 -0.39871E-03 5369 0.132E-01 0.231E-01 RMM: 5 -0.334842668057E+03 -0.34295E-04 -0.66110E-04 4527 0.603E-02 0.244E-01 RMM: 6 -0.334842292368E+03 0.37569E-03 -0.24030E-04 3891 0.401E-02 0.714E-02 RMM: 7 -0.334842321792E+03 -0.29424E-04 -0.67651E-05 3474 0.215E-02 0.936E-02 RMM: 8 -0.334842298830E+03 0.22962E-04 -0.59813E-05 3371 0.210E-02 0.492E-02 RMM: 9 -0.334842290888E+03 0.79422E-05 -0.22681E-05 2637 0.142E-02 473 T= 6504. E= 0.67458098E+03 F= 0.62142670E+03 E0= 0.64991799E+03 EK= 0.52962E+02 SP= 0.18E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335164723515E+03 -0.32242E+00 -0.54143E-01 8856 0.231E+01 0.231E-01 RMM: 2 -0.335204528462E+03 -0.39805E-01 -0.34673E-01 7000 0.106E+00 0.962E-01 RMM: 3 -0.335195655125E+03 0.88733E-02 -0.11489E-02 5471 0.232E-01 0.182E-01 RMM: 4 -0.335195514094E+03 0.14103E-03 -0.10401E-03 4900 0.645E-02 0.166E-01 RMM: 5 -0.335195343004E+03 0.17109E-03 -0.14997E-04 3925 0.313E-02 0.857E-02 RMM: 6 -0.335195315124E+03 0.27879E-04 -0.38468E-05 2993 0.186E-02 0.633E-02 RMM: 7 -0.335195337666E+03 -0.22542E-04 -0.59318E-05 3377 0.203E-02 0.914E-02 RMM: 8 -0.335195283811E+03 0.53856E-04 -0.46504E-05 3030 0.185E-02 0.316E-02 RMM: 9 -0.335195288524E+03 -0.47131E-05 -0.21488E-05 2532 0.127E-02 474 T= 6556. E= 0.67457651E+03 F= 0.62107370E+03 E0= 0.64956518E+03 EK= 0.53386E+02 SP= 0.11E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335311667848E+03 -0.11638E+00 -0.54035E-01 8888 0.233E+01 0.233E-01 RMM: 2 -0.335349902754E+03 -0.38235E-01 -0.33788E-01 6969 0.106E+00 0.917E-01 RMM: 3 -0.335341901025E+03 0.80017E-02 -0.10321E-02 5503 0.218E-01 0.171E-01 RMM: 4 -0.335341833117E+03 0.67908E-04 -0.10377E-03 4817 0.682E-02 0.178E-01 RMM: 5 -0.335341632356E+03 0.20076E-03 -0.17459E-04 3902 0.336E-02 0.818E-02 RMM: 6 -0.335341609146E+03 0.23210E-04 -0.41344E-05 3042 0.190E-02 0.628E-02 RMM: 7 -0.335341631163E+03 -0.22018E-04 -0.62079E-05 3459 0.207E-02 0.878E-02 RMM: 8 -0.335341585291E+03 0.45872E-04 -0.36599E-05 2923 0.175E-02 0.268E-02 RMM: 9 -0.335341592249E+03 -0.69583E-05 -0.17196E-05 2505 0.114E-02 475 T= 6582. E= 0.67457194E+03 F= 0.62092740E+03 E0= 0.64941832E+03 EK= 0.53602E+02 SP= 0.32E-01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335210967806E+03 0.13062E+00 -0.52619E-01 8952 0.236E+01 0.213E-01 RMM: 2 -0.335247136961E+03 -0.36169E-01 -0.33895E-01 6777 0.108E+00 0.724E-01 RMM: 3 -0.335241334200E+03 0.58028E-02 -0.12733E-02 5668 0.220E-01 0.145E-01 RMM: 4 -0.335241242355E+03 0.91845E-04 -0.92528E-04 4867 0.645E-02 0.183E-01 RMM: 5 -0.335241031689E+03 0.21067E-03 -0.17959E-04 3908 0.337E-02 0.735E-02 RMM: 6 -0.335241029836E+03 0.18533E-05 -0.43377E-05 3086 0.191E-02 476 T= 6578. E= 0.67456887E+03 F= 0.62102796E+03 E0= 0.64951790E+03 EK= 0.53569E+02 SP= -.38E-01 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334853229330E+03 0.38780E+00 -0.50054E-01 8864 0.237E+01 0.295E-01 RMM: 2 -0.334901383977E+03 -0.48155E-01 -0.33351E-01 6290 0.112E+00 0.155E+00 RMM: 3 -0.334882610297E+03 0.18774E-01 -0.17681E-02 5466 0.289E-01 0.266E-01 RMM: 4 -0.334882136249E+03 0.47405E-03 -0.16283E-03 5045 0.785E-02 0.136E-01 RMM: 5 -0.334882074101E+03 0.62148E-04 -0.19913E-04 4183 0.329E-02 0.112E-01 RMM: 6 -0.334882038483E+03 0.35618E-04 -0.62685E-05 3351 0.220E-02 0.906E-02 RMM: 7 -0.334882150438E+03 -0.11196E-03 -0.14666E-04 3882 0.320E-02 0.147E-01 RMM: 8 -0.334882025040E+03 0.12540E-03 -0.11546E-04 3880 0.273E-02 0.454E-02 RMM: 9 -0.334882017333E+03 0.77064E-05 -0.19611E-05 2578 0.128E-02 477 T= 6543. E= 0.67456991E+03 F= 0.62138697E+03 E0= 0.64987662E+03 EK= 0.53279E+02 SP= -.10E+00 SK= 0.88E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334285062036E+03 0.59696E+00 -0.46386E-01 8888 0.238E+01 0.327E-01 RMM: 2 -0.334333767637E+03 -0.48706E-01 -0.31925E-01 6005 0.112E+00 0.166E+00 RMM: 3 -0.334312524121E+03 0.21244E-01 -0.18728E-02 5437 0.300E-01 0.298E-01 RMM: 4 -0.334312042643E+03 0.48148E-03 -0.21245E-03 5042 0.970E-02 0.184E-01 RMM: 5 -0.334311955811E+03 0.86832E-04 -0.30917E-04 4072 0.391E-02 0.159E-01 RMM: 6 -0.334311804750E+03 0.15106E-03 -0.10386E-04 3699 0.285E-02 0.601E-02 RMM: 7 -0.334311863702E+03 -0.58952E-04 -0.91674E-05 3773 0.244E-02 0.104E-01 RMM: 8 -0.334311804331E+03 0.59371E-04 -0.66506E-05 3471 0.230E-02 0.269E-02 RMM: 9 -0.334311808158E+03 -0.38270E-05 -0.15549E-05 2505 0.117E-02 478 T= 6481. E= 0.67457731E+03 F= 0.62195718E+03 E0= 0.65044910E+03 EK= 0.52782E+02 SP= -.17E+00 SK= 0.87E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333635548623E+03 0.67626E+00 -0.40862E-01 8824 0.238E+01 0.273E-01 RMM: 2 -0.333674190605E+03 -0.38642E-01 -0.29041E-01 6065 0.109E+00 0.128E+00 RMM: 3 -0.333661253456E+03 0.12937E-01 -0.16459E-02 5492 0.268E-01 0.292E-01 RMM: 4 -0.333660663582E+03 0.58987E-03 -0.15396E-03 4925 0.808E-02 0.130E-01 RMM: 5 -0.333660570884E+03 0.92697E-04 -0.20750E-04 4180 0.321E-02 0.101E-01 RMM: 6 -0.333660526440E+03 0.44444E-04 -0.46391E-05 3122 0.201E-02 0.722E-02 RMM: 7 -0.333660556098E+03 -0.29658E-04 -0.66110E-05 3485 0.220E-02 0.102E-01 RMM: 8 -0.333660494354E+03 0.61744E-04 -0.82178E-05 3792 0.217E-02 0.424E-02 RMM: 9 -0.333660488916E+03 0.54375E-05 -0.20614E-05 2577 0.130E-02 479 T= 6411. E= 0.67458906E+03 F= 0.62260850E+03 E0= 0.65110727E+03 EK= 0.52208E+02 SP= -.24E+00 SK= 0.93E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333096441262E+03 0.56405E+00 -0.30264E-01 9008 0.236E+01 0.272E-01 RMM: 2 -0.333130048837E+03 -0.33608E-01 -0.25011E-01 5822 0.102E+00 0.121E+00 RMM: 3 -0.333117892813E+03 0.12156E-01 -0.16012E-02 5512 0.265E-01 0.240E-01 RMM: 4 -0.333117484750E+03 0.40806E-03 -0.13958E-03 4858 0.774E-02 0.137E-01 RMM: 5 -0.333117382927E+03 0.10182E-03 -0.18677E-04 4271 0.305E-02 0.101E-01 RMM: 6 -0.333117338870E+03 0.44058E-04 -0.39888E-05 3011 0.191E-02 0.682E-02 RMM: 7 -0.333117362615E+03 -0.23745E-04 -0.49143E-05 3205 0.199E-02 0.953E-02 RMM: 8 -0.333117308015E+03 0.54601E-04 -0.85658E-05 3850 0.213E-02 0.377E-02 RMM: 9 -0.333117305119E+03 0.28957E-05 -0.20036E-05 2578 0.127E-02 480 T= 6354. E= 0.67460005E+03 F= 0.62315168E+03 E0= 0.65166337E+03 EK= 0.51744E+02 SP= -.31E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332832022222E+03 0.28529E+00 -0.21609E-01 8816 0.235E+01 0.236E-01 RMM: 2 -0.332861589779E+03 -0.29568E-01 -0.22011E-01 5545 0.989E-01 0.113E+00 RMM: 3 -0.332851062689E+03 0.10527E-01 -0.15189E-02 5535 0.257E-01 0.240E-01 RMM: 4 -0.332850644108E+03 0.41858E-03 -0.12993E-03 4915 0.764E-02 0.126E-01 RMM: 5 -0.332850556273E+03 0.87835E-04 -0.17219E-04 4122 0.301E-02 0.923E-02 RMM: 6 -0.332850515078E+03 0.41195E-04 -0.31301E-05 2849 0.170E-02 0.590E-02 RMM: 7 -0.332850526977E+03 -0.11899E-04 -0.34938E-05 2820 0.175E-02 481 T= 6331. E= 0.67460348E+03 F= 0.62341846E+03 E0= 0.65194989E+03 EK= 0.51554E+02 SP= -.38E+00 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332902530432E+03 -0.52015E-01 -0.15823E-01 8856 0.235E+01 0.211E-01 RMM: 2 -0.332925336469E+03 -0.22806E-01 -0.17326E-01 5300 0.871E-01 0.989E-01 RMM: 3 -0.332916985214E+03 0.83513E-02 -0.13168E-02 5591 0.242E-01 0.227E-01 RMM: 4 -0.332916603940E+03 0.38127E-03 -0.10712E-03 4913 0.677E-02 0.973E-02 RMM: 5 -0.332916563007E+03 0.40933E-04 -0.12267E-04 4174 0.271E-02 0.865E-02 RMM: 6 -0.332916536863E+03 0.26144E-04 -0.25448E-05 2572 0.151E-02 0.670E-02 RMM: 7 -0.332916558956E+03 -0.22093E-04 -0.71131E-05 3548 0.223E-02 0.928E-02 RMM: 8 -0.332916506284E+03 0.52672E-04 -0.77847E-05 3802 0.220E-02 0.279E-02 RMM: 9 -0.332916512443E+03 -0.61589E-05 -0.17957E-05 2550 0.124E-02 482 T= 6348. E= 0.67459725E+03 F= 0.62335248E+03 E0= 0.65190831E+03 EK= 0.51693E+02 SP= -.46E+00 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333221148366E+03 -0.30464E+00 -0.15500E-01 8992 0.237E+01 0.232E-01 RMM: 2 -0.333244099938E+03 -0.22952E-01 -0.17044E-01 5229 0.881E-01 0.106E+00 RMM: 3 -0.333235125922E+03 0.89740E-02 -0.13550E-02 5630 0.242E-01 0.185E-01 RMM: 4 -0.333234937860E+03 0.18806E-03 -0.11110E-03 4736 0.731E-02 0.161E-01 RMM: 5 -0.333234777984E+03 0.15988E-03 -0.17846E-04 3903 0.337E-02 0.826E-02 RMM: 6 -0.333234745340E+03 0.32644E-04 -0.34431E-05 2856 0.178E-02 0.491E-02 RMM: 7 -0.333234753210E+03 -0.78700E-05 -0.28113E-05 2578 0.160E-02 483 T= 6396. E= 0.67458668E+03 F= 0.62303424E+03 E0= 0.65161915E+03 EK= 0.52087E+02 SP= -.55E+00 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333633811593E+03 -0.39907E+00 -0.17927E-01 9056 0.238E+01 0.210E-01 RMM: 2 -0.333655205424E+03 -0.21394E-01 -0.17610E-01 5629 0.899E-01 0.870E-01 RMM: 3 -0.333648938850E+03 0.62666E-02 -0.11883E-02 5625 0.222E-01 0.227E-01 RMM: 4 -0.333648584567E+03 0.35428E-03 -0.88883E-04 4822 0.632E-02 0.126E-01 RMM: 5 -0.333648496662E+03 0.87905E-04 -0.12237E-04 3856 0.286E-02 0.890E-02 RMM: 6 -0.333648493588E+03 0.30738E-05 -0.38403E-05 2951 0.180E-02 484 T= 6457. E= 0.67457755E+03 F= 0.62262050E+03 E0= 0.65123609E+03 EK= 0.52582E+02 SP= -.64E+00 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333990916005E+03 -0.34242E+00 -0.20985E-01 9016 0.239E+01 0.311E-01 RMM: 2 -0.334029439688E+03 -0.38524E-01 -0.19994E-01 5709 0.940E-01 0.174E+00 RMM: 3 -0.334007378229E+03 0.22061E-01 -0.15800E-02 5384 0.287E-01 0.303E-01 RMM: 4 -0.334006847518E+03 0.53071E-03 -0.18125E-03 4974 0.820E-02 0.131E-01 RMM: 5 -0.334006753176E+03 0.94341E-04 -0.17856E-04 4317 0.322E-02 0.102E-01 RMM: 6 -0.334006733363E+03 0.19813E-04 -0.32815E-05 2707 0.173E-02 485 T= 6512. E= 0.67457200E+03 F= 0.62226226E+03 E0= 0.65091000E+03 EK= 0.53027E+02 SP= -.73E+00 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334193718055E+03 -0.18696E+00 -0.23938E-01 9008 0.239E+01 0.451E-01 RMM: 2 -0.334262097632E+03 -0.68380E-01 -0.23366E-01 5496 0.104E+00 0.268E+00 RMM: 3 -0.334212297286E+03 0.49800E-01 -0.26342E-02 5376 0.382E-01 0.453E-01 RMM: 4 -0.334210848747E+03 0.14485E-02 -0.33712E-03 5324 0.118E-01 0.151E-01 RMM: 5 -0.334210763674E+03 0.85073E-04 -0.41484E-04 4798 0.358E-02 0.139E-01 RMM: 6 -0.334210695420E+03 0.68254E-04 -0.46417E-05 3136 0.204E-02 0.107E-01 RMM: 7 -0.334210755836E+03 -0.60416E-04 -0.98448E-05 3778 0.250E-02 0.148E-01 RMM: 8 -0.334210639900E+03 0.11594E-03 -0.25401E-04 3910 0.358E-02 0.665E-02 RMM: 9 -0.334210637450E+03 0.24498E-05 -0.79385E-05 3639 0.236E-02 486 T= 6548. E= 0.67457010E+03 F= 0.62205835E+03 E0= 0.65073842E+03 EK= 0.53322E+02 SP= -.83E+00 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334199219109E+03 0.11421E-01 -0.27313E-01 8936 0.239E+01 0.385E-01 RMM: 2 -0.334245867097E+03 -0.46648E-01 -0.25155E-01 5443 0.101E+00 0.186E+00 RMM: 3 -0.334219592975E+03 0.26274E-01 -0.20844E-02 5401 0.325E-01 0.383E-01 RMM: 4 -0.334218866477E+03 0.72650E-03 -0.30233E-03 5277 0.120E-01 0.237E-01 RMM: 5 -0.334218667531E+03 0.19895E-03 -0.48574E-04 4241 0.537E-02 0.175E-01 RMM: 6 -0.334218479699E+03 0.18783E-03 -0.12801E-04 3870 0.302E-02 0.639E-02 RMM: 7 -0.334218522732E+03 -0.43032E-04 -0.77907E-05 3559 0.237E-02 0.967E-02 RMM: 8 -0.334218481022E+03 0.41710E-04 -0.54302E-05 3246 0.208E-02 0.439E-02 RMM: 9 -0.334218477023E+03 0.39985E-05 -0.20392E-05 2573 0.132E-02 487 T= 6560. E= 0.67457081E+03 F= 0.62205051E+03 E0= 0.65075967E+03 EK= 0.53422E+02 SP= -.92E+00 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334011369636E+03 0.20711E+00 -0.31568E-01 8896 0.237E+01 0.247E-01 RMM: 2 -0.334048365139E+03 -0.36996E-01 -0.26842E-01 5629 0.104E+00 0.131E+00 RMM: 3 -0.334033825091E+03 0.14540E-01 -0.17856E-02 5547 0.278E-01 0.250E-01 RMM: 4 -0.334033305991E+03 0.51910E-03 -0.14869E-03 4947 0.794E-02 0.108E-01 RMM: 5 -0.334033226012E+03 0.79979E-04 -0.18306E-04 4718 0.299E-02 0.923E-02 RMM: 6 -0.334033188636E+03 0.37376E-04 -0.29181E-05 2648 0.166E-02 0.661E-02 RMM: 7 -0.334033191709E+03 -0.30738E-05 -0.51566E-05 3173 0.197E-02 488 T= 6549. E= 0.67457337E+03 F= 0.62223580E+03 E0= 0.65097029E+03 EK= 0.53329E+02 SP= -.10E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333671429006E+03 0.36176E+00 -0.33303E-01 8792 0.236E+01 0.199E-01 RMM: 2 -0.333701040106E+03 -0.29611E-01 -0.26270E-01 5817 0.103E+00 0.812E-01 RMM: 3 -0.333694374524E+03 0.66656E-02 -0.15618E-02 5811 0.255E-01 0.204E-01 RMM: 4 -0.333693976413E+03 0.39811E-03 -0.96545E-04 4953 0.658E-02 0.107E-01 RMM: 5 -0.333693909583E+03 0.66830E-04 -0.12570E-04 4099 0.292E-02 0.845E-02 RMM: 6 -0.333693887511E+03 0.22072E-04 -0.30756E-05 2681 0.166E-02 0.721E-02 RMM: 7 -0.333693913887E+03 -0.26376E-04 -0.84023E-05 3710 0.234E-02 0.109E-01 RMM: 8 -0.333693835703E+03 0.78184E-04 -0.86330E-05 3844 0.223E-02 0.362E-02 RMM: 9 -0.333693830899E+03 0.48039E-05 -0.15510E-05 2528 0.109E-02 489 T= 6518. E= 0.67457799E+03 F= 0.62257516E+03 E0= 0.65133241E+03 EK= 0.53081E+02 SP= -.11E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333241867024E+03 0.45197E+00 -0.37026E-01 8912 0.233E+01 0.223E-01 RMM: 2 -0.333273688653E+03 -0.31822E-01 -0.29188E-01 5619 0.113E+00 0.763E-01 RMM: 3 -0.333267735071E+03 0.59536E-02 -0.19101E-02 5950 0.273E-01 0.148E-01 RMM: 4 -0.333267642629E+03 0.92443E-04 -0.11127E-03 4930 0.763E-02 0.224E-01 RMM: 5 -0.333267315958E+03 0.32667E-03 -0.22610E-04 3976 0.398E-02 0.798E-02 RMM: 6 -0.333267287628E+03 0.28331E-04 -0.62423E-05 3308 0.223E-02 0.553E-02 RMM: 7 -0.333267303318E+03 -0.15690E-04 -0.49053E-05 3052 0.197E-02 490 T= 6477. E= 0.67458355E+03 F= 0.62300169E+03 E0= 0.65177685E+03 EK= 0.52746E+02 SP= -.12E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332811040103E+03 0.45625E+00 -0.34276E-01 8744 0.231E+01 0.209E-01 RMM: 2 -0.332841216317E+03 -0.30176E-01 -0.26102E-01 5984 0.104E+00 0.886E-01 RMM: 3 -0.332834170744E+03 0.70456E-02 -0.14566E-02 5798 0.252E-01 0.212E-01 RMM: 4 -0.332833816218E+03 0.35453E-03 -0.97277E-04 4863 0.687E-02 0.117E-01 RMM: 5 -0.332833733265E+03 0.82953E-04 -0.13590E-04 4051 0.294E-02 0.797E-02 RMM: 6 -0.332833717782E+03 0.15483E-04 -0.37852E-05 2966 0.181E-02 491 T= 6435. E= 0.67458946E+03 F= 0.62343527E+03 E0= 0.65222471E+03 EK= 0.52405E+02 SP= -.13E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332452719876E+03 0.38101E+00 -0.31904E-01 8712 0.229E+01 0.309E-01 RMM: 2 -0.332500546847E+03 -0.47827E-01 -0.26403E-01 5744 0.106E+00 0.184E+00 RMM: 3 -0.332475448495E+03 0.25098E-01 -0.19944E-02 5414 0.327E-01 0.268E-01 RMM: 4 -0.332474968153E+03 0.48034E-03 -0.19233E-03 5118 0.857E-02 0.130E-01 RMM: 5 -0.332474876852E+03 0.91302E-04 -0.19998E-04 4419 0.340E-02 0.968E-02 RMM: 6 -0.332474834740E+03 0.42111E-04 -0.38306E-05 2925 0.182E-02 0.700E-02 RMM: 7 -0.332474875893E+03 -0.41152E-04 -0.82974E-05 3677 0.242E-02 0.109E-01 RMM: 8 -0.332474810207E+03 0.65685E-04 -0.93543E-05 3871 0.225E-02 0.537E-02 RMM: 9 -0.332474794941E+03 0.15267E-04 -0.19504E-05 2574 0.126E-02 492 T= 6403. E= 0.67459398E+03 F= 0.62379419E+03 E0= 0.65259337E+03 EK= 0.52138E+02 SP= -.14E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332235242854E+03 0.23957E+00 -0.28638E-01 8664 0.228E+01 0.350E-01 RMM: 2 -0.332282201203E+03 -0.46958E-01 -0.26864E-01 5400 0.109E+00 0.182E+00 RMM: 3 -0.332257853395E+03 0.24348E-01 -0.22456E-02 5429 0.337E-01 0.333E-01 RMM: 4 -0.332257169440E+03 0.68395E-03 -0.24914E-03 5258 0.107E-01 0.174E-01 RMM: 5 -0.332257134431E+03 0.35010E-04 -0.36005E-04 3943 0.428E-02 0.171E-01 RMM: 6 -0.332256940232E+03 0.19420E-03 -0.11389E-04 3837 0.299E-02 0.480E-02 RMM: 7 -0.332256948748E+03 -0.85156E-05 -0.35661E-05 2971 0.166E-02 493 T= 6387. E= 0.67459640E+03 F= 0.62401204E+03 E0= 0.65281606E+03 EK= 0.52014E+02 SP= -.14E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332197303722E+03 0.59637E-01 -0.24406E-01 8704 0.228E+01 0.255E-01 RMM: 2 -0.332234667034E+03 -0.37363E-01 -0.23720E-01 5731 0.102E+00 0.149E+00 RMM: 3 -0.332217974186E+03 0.16693E-01 -0.17319E-02 5476 0.292E-01 0.207E-01 RMM: 4 -0.332217667421E+03 0.30676E-03 -0.14143E-03 5059 0.747E-02 0.121E-01 RMM: 5 -0.332217595573E+03 0.71848E-04 -0.16225E-04 4069 0.339E-02 0.964E-02 RMM: 6 -0.332217547277E+03 0.48296E-04 -0.44296E-05 3055 0.193E-02 0.621E-02 RMM: 7 -0.332217573588E+03 -0.26310E-04 -0.77001E-05 3658 0.227E-02 0.976E-02 RMM: 8 -0.332217512731E+03 0.60856E-04 -0.53256E-05 3209 0.198E-02 0.315E-02 RMM: 9 -0.332217515662E+03 -0.29307E-05 -0.19110E-05 2516 0.124E-02 494 T= 6394. E= 0.67459569E+03 F= 0.62405147E+03 E0= 0.65285617E+03 EK= 0.52070E+02 SP= -.15E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332338609970E+03 -0.12110E+00 -0.21333E-01 8792 0.229E+01 0.222E-01 RMM: 2 -0.332366314767E+03 -0.27705E-01 -0.22790E-01 5377 0.982E-01 0.964E-01 RMM: 3 -0.332357665005E+03 0.86498E-02 -0.16516E-02 5741 0.267E-01 0.196E-01 RMM: 4 -0.332357394146E+03 0.27086E-03 -0.12101E-03 4913 0.772E-02 0.157E-01 RMM: 5 -0.332357245785E+03 0.14836E-03 -0.19240E-04 3919 0.356E-02 0.952E-02 RMM: 6 -0.332357188321E+03 0.57464E-04 -0.43694E-05 3079 0.196E-02 0.441E-02 RMM: 7 -0.332357186389E+03 0.19317E-05 -0.24862E-05 2563 0.152E-02 495 T= 6423. E= 0.67459270E+03 F= 0.62391180E+03 E0= 0.65271270E+03 EK= 0.52307E+02 SP= -.16E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332632353435E+03 -0.27517E+00 -0.18973E-01 8808 0.231E+01 0.178E-01 RMM: 2 -0.332656225202E+03 -0.23872E-01 -0.20879E-01 5464 0.950E-01 0.786E-01 RMM: 3 -0.332650248255E+03 0.59769E-02 -0.15136E-02 6028 0.246E-01 0.178E-01 RMM: 4 -0.332649886063E+03 0.36219E-03 -0.79225E-04 4842 0.627E-02 0.111E-01 RMM: 5 -0.332649805442E+03 0.80621E-04 -0.10556E-04 3752 0.291E-02 0.787E-02 RMM: 6 -0.332649790581E+03 0.14861E-04 -0.30148E-05 2628 0.162E-02 496 T= 6471. E= 0.67458956E+03 F= 0.62361920E+03 E0= 0.65241181E+03 EK= 0.52700E+02 SP= -.18E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333045495104E+03 -0.39569E+00 -0.18199E-01 8712 0.233E+01 0.252E-01 RMM: 2 -0.333074978226E+03 -0.29483E-01 -0.21045E-01 5323 0.981E-01 0.121E+00 RMM: 3 -0.333063246228E+03 0.11732E-01 -0.17983E-02 5506 0.294E-01 0.249E-01 RMM: 4 -0.333062768312E+03 0.47792E-03 -0.14164E-03 5043 0.773E-02 0.117E-01 RMM: 5 -0.333062686947E+03 0.81365E-04 -0.16391E-04 4046 0.340E-02 0.893E-02 RMM: 6 -0.333062650743E+03 0.36204E-04 -0.35678E-05 2871 0.178E-02 0.654E-02 RMM: 7 -0.333062662017E+03 -0.11274E-04 -0.41098E-05 2977 0.190E-02 497 T= 6535. E= 0.67458625E+03 F= 0.62320633E+03 E0= 0.65198651E+03 EK= 0.53215E+02 SP= -.19E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333555504912E+03 -0.49285E+00 -0.16845E-01 8752 0.235E+01 0.347E-01 RMM: 2 -0.333592908445E+03 -0.37404E-01 -0.19822E-01 5023 0.986E-01 0.171E+00 RMM: 3 -0.333571736423E+03 0.21172E-01 -0.21839E-02 5469 0.333E-01 0.353E-01 RMM: 4 -0.333570839989E+03 0.89643E-03 -0.21816E-03 5172 0.981E-02 0.138E-01 RMM: 5 -0.333570789881E+03 0.50108E-04 -0.30177E-04 3940 0.398E-02 0.135E-01 RMM: 6 -0.333570672595E+03 0.11729E-03 -0.87726E-05 3636 0.269E-02 0.519E-02 RMM: 7 -0.333570675060E+03 -0.24650E-05 -0.24257E-05 2591 0.143E-02 498 T= 6610. E= 0.67458381E+03 F= 0.62269831E+03 E0= 0.65146081E+03 EK= 0.53825E+02 SP= -.20E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334138434160E+03 -0.56776E+00 -0.16283E-01 8480 0.237E+01 0.265E-01 RMM: 2 -0.334172281525E+03 -0.33847E-01 -0.20220E-01 5083 0.989E-01 0.151E+00 RMM: 3 -0.334155517322E+03 0.16764E-01 -0.19727E-02 5588 0.301E-01 0.273E-01 RMM: 4 -0.334154861675E+03 0.65565E-03 -0.14938E-03 4991 0.817E-02 0.113E-01 RMM: 5 -0.334154792517E+03 0.69158E-04 -0.18271E-04 4048 0.340E-02 0.894E-02 RMM: 6 -0.334154753485E+03 0.39032E-04 -0.38166E-05 2882 0.181E-02 0.679E-02 RMM: 7 -0.334154772284E+03 -0.18799E-04 -0.47946E-05 3097 0.192E-02 499 T= 6694. E= 0.67458139E+03 F= 0.62211422E+03 E0= 0.65085364E+03 EK= 0.54509E+02 SP= -.21E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334775190861E+03 -0.62044E+00 -0.14933E-01 8464 0.239E+01 0.279E-01 RMM: 2 -0.334803100002E+03 -0.27909E-01 -0.17573E-01 5000 0.933E-01 0.133E+00 RMM: 3 -0.334789730966E+03 0.13369E-01 -0.18336E-02 5520 0.298E-01 0.277E-01 RMM: 4 -0.334789167082E+03 0.56388E-03 -0.15117E-03 4968 0.807E-02 0.110E-01 RMM: 5 -0.334789129006E+03 0.38076E-04 -0.20590E-04 3976 0.364E-02 0.113E-01 RMM: 6 -0.334789049679E+03 0.79327E-04 -0.58921E-05 3293 0.228E-02 0.457E-02 RMM: 7 -0.334789051977E+03 -0.22982E-05 -0.24253E-05 2575 0.153E-02 500 T= 6783. E= 0.67457805E+03 F= 0.62147994E+03 E0= 0.65018996E+03 EK= 0.55236E+02 SP= -.22E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335412883104E+03 -0.62383E+00 -0.14729E-01 7952 0.241E+01 0.210E-01 RMM: 2 -0.335437344240E+03 -0.24461E-01 -0.18590E-01 4991 0.960E-01 0.102E+00 RMM: 3 -0.335428957974E+03 0.83863E-02 -0.18661E-02 5858 0.275E-01 0.198E-01 RMM: 4 -0.335428511437E+03 0.44654E-03 -0.10453E-03 4808 0.724E-02 0.122E-01 RMM: 5 -0.335428424682E+03 0.86755E-04 -0.15024E-04 3933 0.342E-02 0.813E-02 RMM: 6 -0.335428389075E+03 0.35607E-04 -0.34861E-05 2752 0.173E-02 0.591E-02 RMM: 7 -0.335428393205E+03 -0.41302E-05 -0.37310E-05 2755 0.177E-02 501 T= 6871. E= 0.67457324E+03 F= 0.62084060E+03 E0= 0.64951270E+03 EK= 0.55956E+02 SP= -.22E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335991946174E+03 -0.56356E+00 -0.13797E-01 8000 0.243E+01 0.224E-01 RMM: 2 -0.336014671956E+03 -0.22726E-01 -0.16186E-01 5044 0.890E-01 0.108E+00 RMM: 3 -0.336005672821E+03 0.89991E-02 -0.15667E-02 5697 0.261E-01 0.204E-01 RMM: 4 -0.336005310288E+03 0.36253E-03 -0.10369E-03 4877 0.685E-02 0.106E-01 RMM: 5 -0.336005254905E+03 0.55383E-04 -0.14213E-04 3888 0.317E-02 0.908E-02 RMM: 6 -0.336005209752E+03 0.45153E-04 -0.39448E-05 2976 0.188E-02 0.492E-02 RMM: 7 -0.336005214569E+03 -0.48175E-05 -0.24361E-05 2569 0.152E-02 502 T= 6950. E= 0.67456773E+03 F= 0.62026377E+03 E0= 0.64888991E+03 EK= 0.56599E+02 SP= -.23E+01 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336433002898E+03 -0.42779E+00 -0.13903E-01 7976 0.245E+01 0.222E-01 RMM: 2 -0.336455116507E+03 -0.22114E-01 -0.15771E-01 5049 0.876E-01 0.107E+00 RMM: 3 -0.336446292891E+03 0.88236E-02 -0.15429E-02 5830 0.252E-01 0.220E-01 RMM: 4 -0.336445842790E+03 0.45010E-03 -0.10114E-03 4758 0.708E-02 0.117E-01 RMM: 5 -0.336445761756E+03 0.81034E-04 -0.14649E-04 3886 0.320E-02 0.845E-02 RMM: 6 -0.336445723090E+03 0.38666E-04 -0.32646E-05 2723 0.170E-02 0.564E-02 RMM: 7 -0.336445726433E+03 -0.33436E-05 -0.35856E-05 2735 0.172E-02 503 T= 7010. E= 0.67456322E+03 F= 0.61982326E+03 E0= 0.64839337E+03 EK= 0.57089E+02 SP= -.24E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336679882213E+03 -0.23416E+00 -0.13208E-01 8168 0.246E+01 0.264E-01 RMM: 2 -0.336704042826E+03 -0.24161E-01 -0.14689E-01 4989 0.854E-01 0.127E+00 RMM: 3 -0.336692030314E+03 0.12013E-01 -0.15341E-02 5562 0.269E-01 0.278E-01 RMM: 4 -0.336691458393E+03 0.57192E-03 -0.12923E-03 4811 0.760E-02 0.102E-01 RMM: 5 -0.336691424900E+03 0.33493E-04 -0.17589E-04 3912 0.336E-02 0.103E-01 RMM: 6 -0.336691360302E+03 0.64598E-04 -0.47568E-05 3136 0.203E-02 0.511E-02 RMM: 7 -0.336691366088E+03 -0.57864E-05 -0.25857E-05 2583 0.155E-02 504 T= 7044. E= 0.67456096E+03 F= 0.61957762E+03 E0= 0.64808375E+03 EK= 0.57366E+02 SP= -.24E+01 SK= 0.83E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336700574788E+03 -0.92145E-02 -0.12929E-01 8280 0.247E+01 0.285E-01 RMM: 2 -0.336725628619E+03 -0.25054E-01 -0.13686E-01 5186 0.820E-01 0.140E+00 RMM: 3 -0.336711654988E+03 0.13974E-01 -0.14202E-02 5579 0.260E-01 0.298E-01 RMM: 4 -0.336710991885E+03 0.66310E-03 -0.13496E-03 4768 0.782E-02 0.111E-01 RMM: 5 -0.336710939460E+03 0.52425E-04 -0.17893E-04 3909 0.334E-02 0.995E-02 RMM: 6 -0.336710878375E+03 0.61085E-04 -0.39947E-05 3000 0.188E-02 0.548E-02 RMM: 7 -0.336710881950E+03 -0.35749E-05 -0.28607E-05 2601 0.159E-02 505 T= 7048. E= 0.67456048E+03 F= 0.61955811E+03 E0= 0.64799166E+03 EK= 0.57396E+02 SP= -.24E+01 SK= 0.83E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.336478395288E+03 0.23248E+00 -0.13393E-01 8248 0.247E+01 0.272E-01 RMM: 2 -0.336504019823E+03 -0.25625E-01 -0.15483E-01 5047 0.868E-01 0.132E+00 RMM: 3 -0.336491142351E+03 0.12877E-01 -0.16258E-02 5547 0.273E-01 0.287E-01 RMM: 4 -0.336490518437E+03 0.62391E-03 -0.14120E-03 4848 0.782E-02 0.104E-01 RMM: 5 -0.336490484799E+03 0.33637E-04 -0.19189E-04 3944 0.344E-02 0.103E-01 RMM: 6 -0.336490416641E+03 0.68159E-04 -0.49049E-05 3169 0.206E-02 0.477E-02 RMM: 7 -0.336490421497E+03 -0.48567E-05 -0.24660E-05 2578 0.150E-02 506 T= 7019. E= 0.67455969E+03 F= 0.61977857E+03 E0= 0.64813459E+03 EK= 0.57162E+02 SP= -.24E+01 SK= 0.89E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335997165258E+03 0.49325E+00 -0.13221E-01 8488 0.246E+01 0.252E-01 RMM: 2 -0.336020593913E+03 -0.23429E-01 -0.14414E-01 5131 0.817E-01 0.125E+00 RMM: 3 -0.336008894710E+03 0.11699E-01 -0.13998E-02 5597 0.251E-01 0.243E-01 RMM: 4 -0.336008424817E+03 0.46989E-03 -0.11754E-03 4762 0.718E-02 0.111E-01 RMM: 5 -0.336008367868E+03 0.56949E-04 -0.15981E-04 3897 0.330E-02 0.920E-02 RMM: 6 -0.336008316086E+03 0.51782E-04 -0.38207E-05 2975 0.183E-02 0.508E-02 RMM: 7 -0.336008318418E+03 -0.23318E-05 -0.24185E-05 2579 0.149E-02 507 T= 6956. E= 0.67455811E+03 F= 0.62026067E+03 E0= 0.64853614E+03 EK= 0.56645E+02 SP= -.24E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335217059416E+03 0.79126E+00 -0.13733E-01 8784 0.245E+01 0.199E-01 RMM: 2 -0.335236705591E+03 -0.19646E-01 -0.15042E-01 5152 0.803E-01 0.926E-01 RMM: 3 -0.335229411692E+03 0.72939E-02 -0.12850E-02 5602 0.237E-01 0.203E-01 RMM: 4 -0.335229110682E+03 0.30101E-03 -0.99215E-04 4912 0.642E-02 0.105E-01 RMM: 5 -0.335229045458E+03 0.65224E-04 -0.11741E-04 3811 0.288E-02 0.832E-02 RMM: 6 -0.335229009701E+03 0.35757E-04 -0.30884E-05 2738 0.168E-02 0.529E-02 RMM: 7 -0.335229011059E+03 -0.13575E-05 -0.33141E-05 2672 0.164E-02 508 T= 6854. E= 0.67455616E+03 F= 0.62103998E+03 E0= 0.64923676E+03 EK= 0.55813E+02 SP= -.23E+01 SK= 0.61E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334103544170E+03 0.11255E+01 -0.14371E-01 9064 0.244E+01 0.187E-01 RMM: 2 -0.334123231853E+03 -0.19688E-01 -0.16096E-01 5410 0.808E-01 0.839E-01 RMM: 3 -0.334116680612E+03 0.65512E-02 -0.12199E-02 5686 0.224E-01 0.163E-01 RMM: 4 -0.334116456105E+03 0.22451E-03 -0.86333E-04 4840 0.610E-02 0.125E-01 RMM: 5 -0.334116360502E+03 0.95603E-04 -0.11104E-04 3763 0.285E-02 0.751E-02 RMM: 6 -0.334116337728E+03 0.22774E-04 -0.25694E-05 2589 0.150E-02 0.589E-02 RMM: 7 -0.334116335865E+03 0.18626E-05 -0.33476E-05 2682 0.160E-02 509 T= 6709. E= 0.67455592E+03 F= 0.62215265E+03 E0= 0.65027569E+03 EK= 0.54635E+02 SP= -.22E+01 SK= 0.88E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332649289044E+03 0.14670E+01 -0.15207E-01 9000 0.242E+01 0.162E-01 RMM: 2 -0.332668467184E+03 -0.19178E-01 -0.17009E-01 5795 0.828E-01 0.677E-01 RMM: 3 -0.332663801385E+03 0.46658E-02 -0.11195E-02 5571 0.217E-01 0.162E-01 RMM: 4 -0.332663617209E+03 0.18418E-03 -0.73979E-04 5005 0.545E-02 0.115E-01 RMM: 5 -0.332663528497E+03 0.88712E-04 -0.76173E-05 3415 0.252E-02 0.767E-02 RMM: 6 -0.332663514137E+03 0.14360E-04 -0.25245E-05 2562 0.152E-02 510 T= 6522. E= 0.67455969E+03 F= 0.62360548E+03 E0= 0.65166422E+03 EK= 0.53115E+02 SP= -.22E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330910536002E+03 0.17530E+01 -0.15446E-01 8984 0.238E+01 0.239E-01 RMM: 2 -0.330936023344E+03 -0.25487E-01 -0.17862E-01 5652 0.849E-01 0.114E+00 RMM: 3 -0.330925497946E+03 0.10525E-01 -0.13052E-02 5500 0.246E-01 0.256E-01 RMM: 4 -0.330924993751E+03 0.50419E-03 -0.11366E-03 4859 0.680E-02 0.109E-01 RMM: 5 -0.330924935190E+03 0.58562E-04 -0.11284E-04 4026 0.260E-02 0.897E-02 RMM: 6 -0.330924917873E+03 0.17317E-04 -0.22624E-05 2561 0.139E-02 511 T= 6301. E= 0.67456852E+03 F= 0.62534407E+03 E0= 0.65335100E+03 EK= 0.51315E+02 SP= -.21E+01 SK= 0.90E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329015499439E+03 0.19094E+01 -0.16682E-01 8976 0.234E+01 0.426E-01 RMM: 2 -0.329074263700E+03 -0.58764E-01 -0.20089E-01 5354 0.946E-01 0.245E+00 RMM: 3 -0.329031122912E+03 0.43141E-01 -0.24119E-02 5371 0.364E-01 0.405E-01 RMM: 4 -0.329029924774E+03 0.11981E-02 -0.28884E-03 5223 0.106E-01 0.133E-01 RMM: 5 -0.329029843204E+03 0.81569E-04 -0.31489E-04 4851 0.331E-02 0.119E-01 RMM: 6 -0.329029782079E+03 0.61126E-04 -0.32025E-05 2725 0.170E-02 0.942E-02 RMM: 7 -0.329029846999E+03 -0.64920E-04 -0.12368E-04 3885 0.276E-02 0.146E-01 RMM: 8 -0.329029737994E+03 0.10900E-03 -0.22948E-04 3904 0.324E-02 0.770E-02 RMM: 9 -0.329029704843E+03 0.33151E-04 -0.44819E-05 3035 0.176E-02 0.325E-02 RMM: 10 -0.329029710182E+03 -0.53387E-05 -0.16145E-05 2501 0.128E-02 512 T= 6063. E= 0.67458232E+03 F= 0.62723928E+03 E0= 0.65520789E+03 EK= 0.49373E+02 SP= -.20E+01 SK= 0.61E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327157086540E+03 0.18726E+01 -0.18185E-01 8960 0.229E+01 0.391E-01 RMM: 2 -0.327196663010E+03 -0.39576E-01 -0.20896E-01 5552 0.939E-01 0.176E+00 RMM: 3 -0.327173633064E+03 0.23030E-01 -0.18485E-02 5401 0.307E-01 0.380E-01 RMM: 4 -0.327172986868E+03 0.64620E-03 -0.27953E-03 5125 0.115E-01 0.254E-01 RMM: 5 -0.327172766494E+03 0.22037E-03 -0.53653E-04 4494 0.577E-02 0.193E-01 RMM: 6 -0.327172536211E+03 0.23028E-03 -0.18003E-04 3886 0.355E-02 0.684E-02 RMM: 7 -0.327172573185E+03 -0.36974E-04 -0.69515E-05 3513 0.226E-02 0.962E-02 RMM: 8 -0.327172528597E+03 0.44588E-04 -0.44730E-05 3064 0.194E-02 0.411E-02 RMM: 9 -0.327172528930E+03 -0.33359E-06 -0.20244E-05 2563 0.132E-02 513 T= 5832. E= 0.67459837E+03 F= 0.62909646E+03 E0= 0.65704107E+03 EK= 0.47490E+02 SP= -.20E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325560636866E+03 0.16119E+01 -0.19418E-01 9016 0.223E+01 0.273E-01 RMM: 2 -0.325591480480E+03 -0.30844E-01 -0.19901E-01 5504 0.936E-01 0.136E+00 RMM: 3 -0.325577105096E+03 0.14375E-01 -0.15779E-02 5776 0.255E-01 0.205E-01 RMM: 4 -0.325576754319E+03 0.35078E-03 -0.12904E-03 4801 0.752E-02 0.148E-01 RMM: 5 -0.325576615864E+03 0.13845E-03 -0.18651E-04 3909 0.340E-02 0.893E-02 RMM: 6 -0.325576578577E+03 0.37288E-04 -0.38937E-05 2971 0.184E-02 0.615E-02 RMM: 7 -0.325576575254E+03 0.33228E-05 -0.52788E-05 3167 0.198E-02 514 T= 5635. E= 0.67461171E+03 F= 0.63069241E+03 E0= 0.65862711E+03 EK= 0.45888E+02 SP= -.20E+01 SK= 0.39E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.324425039788E+03 0.11515E+01 -0.17797E-01 9040 0.219E+01 0.211E-01 RMM: 2 -0.324446552525E+03 -0.21513E-01 -0.16756E-01 5676 0.839E-01 0.942E-01 RMM: 3 -0.324439118427E+03 0.74341E-02 -0.10852E-02 5922 0.208E-01 0.205E-01 RMM: 4 -0.324438750688E+03 0.36774E-03 -0.81027E-04 4818 0.595E-02 0.103E-01 RMM: 5 -0.324438676615E+03 0.74073E-04 -0.10738E-04 3887 0.256E-02 0.718E-02 RMM: 6 -0.324438668780E+03 0.78350E-05 -0.26983E-05 2586 0.153E-02 515 T= 5497. E= 0.67461945E+03 F= 0.63183032E+03 E0= 0.65976764E+03 EK= 0.44768E+02 SP= -.20E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323868396399E+03 0.57028E+00 -0.16152E-01 8984 0.217E+01 0.270E-01 RMM: 2 -0.323896820527E+03 -0.28424E-01 -0.15023E-01 5676 0.790E-01 0.146E+00 RMM: 3 -0.323880819371E+03 0.16001E-01 -0.12197E-02 5391 0.250E-01 0.261E-01 RMM: 4 -0.323880383585E+03 0.43579E-03 -0.13920E-03 4987 0.711E-02 0.102E-01 RMM: 5 -0.323880319229E+03 0.64356E-04 -0.13736E-04 4252 0.269E-02 0.854E-02 RMM: 6 -0.323880291356E+03 0.27873E-04 -0.28796E-05 2673 0.163E-02 0.645E-02 RMM: 7 -0.323880326375E+03 -0.35019E-04 -0.68757E-05 3489 0.220E-02 0.101E-01 RMM: 8 -0.323880266066E+03 0.60309E-04 -0.84797E-05 3783 0.206E-02 0.373E-02 RMM: 9 -0.323880262274E+03 0.37920E-05 -0.17908E-05 2548 0.121E-02 516 T= 5434. E= 0.67462062E+03 F= 0.63238873E+03 E0= 0.66033972E+03 EK= 0.44253E+02 SP= -.20E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323914900319E+03 -0.34634E-01 -0.15319E-01 9000 0.217E+01 0.319E-01 RMM: 2 -0.323946450437E+03 -0.31550E-01 -0.15618E-01 5281 0.848E-01 0.162E+00 RMM: 3 -0.323927643912E+03 0.18807E-01 -0.15773E-02 5489 0.276E-01 0.307E-01 RMM: 4 -0.323927008925E+03 0.63499E-03 -0.18508E-03 4757 0.906E-02 0.146E-01 RMM: 5 -0.323926950396E+03 0.58529E-04 -0.26217E-04 4034 0.369E-02 0.123E-01 RMM: 6 -0.323926859762E+03 0.90634E-04 -0.65626E-05 3408 0.233E-02 0.490E-02 RMM: 7 -0.323926882734E+03 -0.22972E-04 -0.36055E-05 2933 0.174E-02 0.767E-02 RMM: 8 -0.323926850937E+03 0.31797E-04 -0.38401E-05 2697 0.183E-02 0.325E-02 RMM: 9 -0.323926848115E+03 0.28229E-05 -0.14632E-05 2486 0.114E-02 517 T= 5449. E= 0.67461674E+03 F= 0.63234214E+03 E0= 0.66031949E+03 EK= 0.44373E+02 SP= -.21E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324513446398E+03 -0.58660E+00 -0.14599E-01 9040 0.220E+01 0.215E-01 RMM: 2 -0.324534726701E+03 -0.21280E-01 -0.15051E-01 5692 0.815E-01 0.105E+00 RMM: 3 -0.324526480485E+03 0.82462E-02 -0.11253E-02 5530 0.220E-01 0.191E-01 RMM: 4 -0.324526202869E+03 0.27762E-03 -0.98664E-04 4919 0.629E-02 0.106E-01 RMM: 5 -0.324526126128E+03 0.76741E-04 -0.11152E-04 3961 0.243E-02 0.733E-02 RMM: 6 -0.324526104895E+03 0.21233E-04 -0.21305E-05 2566 0.142E-02 0.567E-02 RMM: 7 -0.324526106582E+03 -0.16867E-05 -0.28000E-05 2654 0.152E-02 518 T= 5535. E= 0.67460988E+03 F= 0.63174288E+03 E0= 0.65975765E+03 EK= 0.45076E+02 SP= -.23E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325567346671E+03 -0.10412E+01 -0.14165E-01 9080 0.224E+01 0.186E-01 RMM: 2 -0.325587015840E+03 -0.19669E-01 -0.15234E-01 5631 0.812E-01 0.904E-01 RMM: 3 -0.325580773046E+03 0.62428E-02 -0.11244E-02 5694 0.207E-01 0.188E-01 RMM: 4 -0.325580449490E+03 0.32356E-03 -0.76831E-04 4860 0.562E-02 0.104E-01 RMM: 5 -0.325580400012E+03 0.49478E-04 -0.79416E-05 3665 0.222E-02 0.854E-02 RMM: 6 -0.325580393752E+03 0.62594E-05 -0.18120E-05 2541 0.129E-02 519 T= 5682. E= 0.67460099E+03 F= 0.63068860E+03 E0= 0.65875201E+03 EK= 0.46267E+02 SP= -.24E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326949306915E+03 -0.13689E+01 -0.15374E-01 8848 0.228E+01 0.317E-01 RMM: 2 -0.326982929042E+03 -0.33622E-01 -0.18447E-01 5091 0.931E-01 0.159E+00 RMM: 3 -0.326964812817E+03 0.18116E-01 -0.20591E-02 5488 0.309E-01 0.278E-01 RMM: 4 -0.326964237751E+03 0.57507E-03 -0.22310E-03 5690 0.808E-02 0.123E-01 RMM: 5 -0.326964137288E+03 0.10046E-03 -0.13584E-04 3987 0.296E-02 0.970E-02 RMM: 6 -0.326964120666E+03 0.16622E-04 -0.21207E-05 2549 0.133E-02 520 T= 5872. E= 0.67459039E+03 F= 0.62930487E+03 E0= 0.65742675E+03 EK= 0.47818E+02 SP= -.26E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328517611399E+03 -0.15535E+01 -0.14888E-01 9032 0.232E+01 0.428E-01 RMM: 2 -0.328573261103E+03 -0.55650E-01 -0.16976E-01 5038 0.913E-01 0.247E+00 RMM: 3 -0.328530920400E+03 0.42341E-01 -0.25224E-02 5369 0.376E-01 0.413E-01 RMM: 4 -0.328529642253E+03 0.12781E-02 -0.29707E-03 5290 0.108E-01 0.127E-01 RMM: 5 -0.328529590760E+03 0.51492E-04 -0.35193E-04 4909 0.329E-02 0.112E-01 RMM: 6 -0.328529539797E+03 0.50963E-04 -0.28729E-05 2662 0.161E-02 0.924E-02 RMM: 7 -0.328529602989E+03 -0.63192E-04 -0.14848E-04 3888 0.310E-02 0.134E-01 RMM: 8 -0.328529505513E+03 0.97475E-04 -0.16206E-04 3898 0.297E-02 0.583E-02 RMM: 9 -0.328529501539E+03 0.39744E-05 -0.38299E-05 3019 0.170E-02 521 T= 6088. E= 0.67457857E+03 F= 0.62773949E+03 E0= 0.65592911E+03 EK= 0.49578E+02 SP= -.28E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330098423561E+03 -0.15689E+01 -0.16189E-01 9056 0.237E+01 0.367E-01 RMM: 2 -0.330138196997E+03 -0.39773E-01 -0.16854E-01 4922 0.891E-01 0.192E+00 RMM: 3 -0.330111698475E+03 0.26499E-01 -0.19689E-02 5403 0.318E-01 0.258E-01 RMM: 4 -0.330111644679E+03 0.53796E-04 -0.26206E-03 5251 0.109E-01 0.272E-01 RMM: 5 -0.330111370028E+03 0.27465E-03 -0.46349E-04 4131 0.515E-02 0.185E-01 RMM: 6 -0.330111155980E+03 0.21405E-03 -0.16102E-04 3881 0.342E-02 0.557E-02 RMM: 7 -0.330111213560E+03 -0.57581E-04 -0.75357E-05 3550 0.231E-02 0.101E-01 RMM: 8 -0.330111156767E+03 0.56793E-04 -0.43296E-05 3136 0.208E-02 0.297E-02 RMM: 9 -0.330111162510E+03 -0.57431E-05 -0.14269E-05 2515 0.110E-02 522 T= 6309. E= 0.67456617E+03 F= 0.62615783E+03 E0= 0.65441959E+03 EK= 0.51376E+02 SP= -.31E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331524048806E+03 -0.14129E+01 -0.16488E-01 8864 0.241E+01 0.226E-01 RMM: 2 -0.331548625161E+03 -0.24576E-01 -0.16479E-01 5026 0.888E-01 0.119E+00 RMM: 3 -0.331538213549E+03 0.10412E-01 -0.16583E-02 5739 0.255E-01 0.218E-01 RMM: 4 -0.331537712448E+03 0.50110E-03 -0.11425E-03 4810 0.721E-02 0.100E-01 RMM: 5 -0.331537655120E+03 0.57328E-04 -0.16195E-04 3931 0.321E-02 0.817E-02 RMM: 6 -0.331537618414E+03 0.36706E-04 -0.32852E-05 2706 0.169E-02 0.526E-02 RMM: 7 -0.331537612689E+03 0.57254E-05 -0.40606E-05 2858 0.186E-02 523 T= 6513. E= 0.67455509E+03 F= 0.62473138E+03 E0= 0.65306709E+03 EK= 0.53035E+02 SP= -.33E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332640711079E+03 -0.11031E+01 -0.16484E-01 8808 0.245E+01 0.166E-01 RMM: 2 -0.332659664412E+03 -0.18953E-01 -0.16857E-01 5182 0.885E-01 0.681E-01 RMM: 3 -0.332655640258E+03 0.40242E-02 -0.15998E-02 6153 0.224E-01 0.168E-01 RMM: 4 -0.332655177377E+03 0.46288E-03 -0.69609E-04 4640 0.603E-02 0.105E-01 RMM: 5 -0.332655108959E+03 0.68418E-04 -0.10024E-04 3691 0.281E-02 0.679E-02 RMM: 6 -0.332655097302E+03 0.11657E-04 -0.25016E-05 2561 0.147E-02 524 T= 6679. E= 0.67454590E+03 F= 0.62361389E+03 E0= 0.65202295E+03 EK= 0.54393E+02 SP= -.36E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333329616140E+03 -0.67451E+00 -0.16623E-01 8696 0.248E+01 0.237E-01 RMM: 2 -0.333357128066E+03 -0.27512E-01 -0.18277E-01 4979 0.934E-01 0.125E+00 RMM: 3 -0.333345434947E+03 0.11693E-01 -0.18791E-02 5663 0.272E-01 0.241E-01 RMM: 4 -0.333344874605E+03 0.56034E-03 -0.13079E-03 5074 0.737E-02 0.103E-01 RMM: 5 -0.333344821764E+03 0.52841E-04 -0.15663E-04 4117 0.302E-02 0.840E-02 RMM: 6 -0.333344799701E+03 0.22063E-04 -0.27674E-05 2573 0.153E-02 0.725E-02 RMM: 7 -0.333344811538E+03 -0.11837E-04 -0.60111E-05 3375 0.215E-02 525 T= 6794. E= 0.67453950E+03 F= 0.62292418E+03 E0= 0.65140378E+03 EK= 0.55325E+02 SP= -.38E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333520823701E+03 -0.17602E+00 -0.15118E-01 8728 0.249E+01 0.259E-01 RMM: 2 -0.333547476617E+03 -0.26653E-01 -0.15372E-01 4968 0.862E-01 0.138E+00 RMM: 3 -0.333533575680E+03 0.13901E-01 -0.16194E-02 5591 0.265E-01 0.222E-01 RMM: 4 -0.333533230407E+03 0.34527E-03 -0.14405E-03 4796 0.811E-02 0.147E-01 RMM: 5 -0.333533169332E+03 0.61075E-04 -0.21583E-04 3899 0.358E-02 0.119E-01 RMM: 6 -0.333533081569E+03 0.87763E-04 -0.61803E-05 3354 0.228E-02 0.452E-02 RMM: 7 -0.333533101279E+03 -0.19709E-04 -0.31099E-05 2773 0.168E-02 526 T= 6846. E= 0.67453695E+03 F= 0.62273589E+03 E0= 0.65128070E+03 EK= 0.55750E+02 SP= -.40E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333177442098E+03 0.35564E+00 -0.15120E-01 8384 0.249E+01 0.214E-01 RMM: 2 -0.333202585699E+03 -0.25144E-01 -0.17089E-01 4897 0.910E-01 0.118E+00 RMM: 3 -0.333192246650E+03 0.10339E-01 -0.18211E-02 5727 0.262E-01 0.191E-01 RMM: 4 -0.333191816222E+03 0.43043E-03 -0.11488E-03 5210 0.682E-02 0.101E-01 RMM: 5 -0.333191747993E+03 0.68229E-04 -0.13042E-04 3966 0.297E-02 0.710E-02 RMM: 6 -0.333191728573E+03 0.19420E-04 -0.27785E-05 2589 0.155E-02 527 T= 6832. E= 0.67453823E+03 F= 0.62307726E+03 E0= 0.65167758E+03 EK= 0.55636E+02 SP= -.43E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332322711332E+03 0.86904E+00 -0.14365E-01 7848 0.248E+01 0.243E-01 RMM: 2 -0.332351520332E+03 -0.28809E-01 -0.16607E-01 4764 0.921E-01 0.141E+00 RMM: 3 -0.332337042993E+03 0.14477E-01 -0.19044E-02 5635 0.278E-01 0.232E-01 RMM: 4 -0.332336532390E+03 0.51060E-03 -0.13777E-03 5256 0.728E-02 0.936E-02 RMM: 5 -0.332336484084E+03 0.48306E-04 -0.14549E-04 4257 0.295E-02 0.858E-02 RMM: 6 -0.332336456653E+03 0.27431E-04 -0.31560E-05 2609 0.163E-02 0.760E-02 RMM: 7 -0.332336511764E+03 -0.55111E-04 -0.11282E-04 3896 0.263E-02 0.128E-01 RMM: 8 -0.332336401712E+03 0.11005E-03 -0.11909E-04 3890 0.240E-02 0.413E-02 RMM: 9 -0.332336393290E+03 0.84218E-05 -0.16893E-05 2559 0.114E-02 528 T= 6753. E= 0.67454211E+03 F= 0.62393260E+03 E0= 0.65257834E+03 EK= 0.54996E+02 SP= -.45E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331009436765E+03 0.13270E+01 -0.13306E-01 7752 0.246E+01 0.249E-01 RMM: 2 -0.331032746645E+03 -0.23310E-01 -0.15871E-01 4751 0.886E-01 0.115E+00 RMM: 3 -0.331022732254E+03 0.10014E-01 -0.17352E-02 5661 0.262E-01 0.231E-01 RMM: 4 -0.331022414684E+03 0.31757E-03 -0.15226E-03 5028 0.879E-02 0.190E-01 RMM: 5 -0.331022281262E+03 0.13342E-03 -0.26485E-04 3919 0.390E-02 0.134E-01 RMM: 6 -0.331022165124E+03 0.11614E-03 -0.72582E-05 3483 0.245E-02 0.349E-02 RMM: 7 -0.331022179110E+03 -0.13986E-04 -0.28966E-05 2745 0.159E-02 529 T= 6617. E= 0.67454903E+03 F= 0.62524681E+03 E0= 0.65392589E+03 EK= 0.53887E+02 SP= -.47E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329327348452E+03 0.16948E+01 -0.12643E-01 7664 0.243E+01 0.190E-01 RMM: 2 -0.329348744085E+03 -0.21396E-01 -0.15445E-01 4895 0.874E-01 0.104E+00 RMM: 3 -0.329340712414E+03 0.80317E-02 -0.16540E-02 5846 0.243E-01 0.173E-01 RMM: 4 -0.329340317332E+03 0.39508E-03 -0.88537E-04 4940 0.641E-02 0.908E-02 RMM: 5 -0.329340275173E+03 0.42159E-04 -0.11352E-04 4072 0.271E-02 0.725E-02 RMM: 6 -0.329340249320E+03 0.25853E-04 -0.24854E-05 2566 0.147E-02 0.509E-02 RMM: 7 -0.329340258708E+03 -0.93881E-05 -0.55977E-05 3266 0.201E-02 530 T= 6435. E= 0.67455835E+03 F= 0.62692873E+03 E0= 0.65562881E+03 EK= 0.52403E+02 SP= -.48E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327407694335E+03 0.19326E+01 -0.12354E-01 7784 0.239E+01 0.188E-01 RMM: 2 -0.327425981448E+03 -0.18287E-01 -0.13936E-01 4835 0.836E-01 0.903E-01 RMM: 3 -0.327419675959E+03 0.63055E-02 -0.14909E-02 5911 0.233E-01 0.148E-01 RMM: 4 -0.327419400711E+03 0.27525E-03 -0.79556E-04 4763 0.640E-02 0.126E-01 RMM: 5 -0.327419314534E+03 0.86177E-04 -0.12292E-04 3706 0.301E-02 0.692E-02 RMM: 6 -0.327419289593E+03 0.24941E-04 -0.30083E-05 2723 0.165E-02 0.405E-02 RMM: 7 -0.327419294557E+03 -0.49637E-05 -0.19296E-05 2514 0.140E-02 531 T= 6223. E= 0.67457006E+03 F= 0.62884969E+03 E0= 0.65755829E+03 EK= 0.50680E+02 SP= -.50E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325410909151E+03 0.20084E+01 -0.12147E-01 7872 0.234E+01 0.189E-01 RMM: 2 -0.325429181801E+03 -0.18273E-01 -0.14175E-01 4898 0.845E-01 0.884E-01 RMM: 3 -0.325423314514E+03 0.58673E-02 -0.15477E-02 6031 0.231E-01 0.177E-01 RMM: 4 -0.325422907890E+03 0.40662E-03 -0.77751E-04 4756 0.640E-02 0.112E-01 RMM: 5 -0.325422835331E+03 0.72558E-04 -0.11029E-04 3763 0.284E-02 0.707E-02 RMM: 6 -0.325422814563E+03 0.20768E-04 -0.26778E-05 2581 0.153E-02 0.531E-02 RMM: 7 -0.325422821423E+03 -0.68599E-05 -0.34865E-05 2729 0.171E-02 532 T= 6003. E= 0.67458333E+03 F= 0.63084617E+03 E0= 0.65955380E+03 EK= 0.48886E+02 SP= -.52E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323521298726E+03 0.19015E+01 -0.12557E-01 7904 0.229E+01 0.185E-01 RMM: 2 -0.323540327270E+03 -0.19029E-01 -0.15362E-01 4939 0.878E-01 0.850E-01 RMM: 3 -0.323534815733E+03 0.55115E-02 -0.16164E-02 5993 0.234E-01 0.161E-01 RMM: 4 -0.323534456236E+03 0.35950E-03 -0.81203E-04 4762 0.659E-02 0.129E-01 RMM: 5 -0.323534370934E+03 0.85302E-04 -0.12737E-04 3764 0.304E-02 0.735E-02 RMM: 6 -0.323534346904E+03 0.24030E-04 -0.31510E-05 2838 0.169E-02 0.476E-02 RMM: 7 -0.323534357575E+03 -0.10671E-04 -0.25994E-05 2578 0.156E-02 533 T= 5797. E= 0.67459639E+03 F= 0.63273463E+03 E0= 0.66143223E+03 EK= 0.47210E+02 SP= -.55E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321921383059E+03 0.16130E+01 -0.12448E-01 8152 0.224E+01 0.196E-01 RMM: 2 -0.321940775746E+03 -0.19393E-01 -0.14397E-01 4950 0.839E-01 0.950E-01 RMM: 3 -0.321933930121E+03 0.68456E-02 -0.14990E-02 5860 0.234E-01 0.184E-01 RMM: 4 -0.321933564571E+03 0.36555E-03 -0.85575E-04 4758 0.657E-02 0.121E-01 RMM: 5 -0.321933483882E+03 0.80689E-04 -0.12863E-04 3806 0.301E-02 0.761E-02 RMM: 6 -0.321933454482E+03 0.29400E-04 -0.31312E-05 2827 0.168E-02 0.483E-02 RMM: 7 -0.321933462288E+03 -0.78061E-05 -0.26328E-05 2581 0.155E-02 534 T= 5629. E= 0.67460703E+03 F= 0.63433553E+03 E0= 0.66301747E+03 EK= 0.45837E+02 SP= -.57E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320753759771E+03 0.11797E+01 -0.12676E-01 8328 0.220E+01 0.179E-01 RMM: 2 -0.320770898227E+03 -0.17138E-01 -0.13714E-01 5011 0.813E-01 0.821E-01 RMM: 3 -0.320765601868E+03 0.52964E-02 -0.13451E-02 5920 0.223E-01 0.160E-01 RMM: 4 -0.320765305279E+03 0.29659E-03 -0.71748E-04 4738 0.600E-02 0.113E-01 RMM: 5 -0.320765236582E+03 0.68697E-04 -0.10623E-04 3660 0.278E-02 0.714E-02 RMM: 6 -0.320765213539E+03 0.23043E-04 -0.29022E-05 2737 0.165E-02 0.477E-02 RMM: 7 -0.320765221353E+03 -0.78138E-05 -0.31223E-05 2645 0.167E-02 535 T= 5516. E= 0.67461362E+03 F= 0.63550377E+03 E0= 0.66416470E+03 EK= 0.44916E+02 SP= -.60E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320108577868E+03 0.65664E+00 -0.12616E-01 8752 0.218E+01 0.189E-01 RMM: 2 -0.320125991840E+03 -0.17414E-01 -0.13355E-01 5171 0.772E-01 0.872E-01 RMM: 3 -0.320119728623E+03 0.62632E-02 -0.11878E-02 5842 0.213E-01 0.183E-01 RMM: 4 -0.320119422153E+03 0.30647E-03 -0.76004E-04 4744 0.606E-02 0.111E-01 RMM: 5 -0.320119357988E+03 0.64165E-04 -0.11457E-04 3763 0.278E-02 0.788E-02 RMM: 6 -0.320119324294E+03 0.33694E-04 -0.31219E-05 2883 0.170E-02 0.458E-02 RMM: 7 -0.320119332534E+03 -0.82405E-05 -0.26707E-05 2602 0.153E-02 536 T= 5470. E= 0.67461556E+03 F= 0.63614966E+03 E0= 0.66478563E+03 EK= 0.44541E+02 SP= -.63E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320010586059E+03 0.10874E+00 -0.14336E-01 8632 0.218E+01 0.200E-01 RMM: 2 -0.320030997506E+03 -0.20411E-01 -0.15836E-01 5188 0.842E-01 0.927E-01 RMM: 3 -0.320024073083E+03 0.69244E-02 -0.14005E-02 5841 0.228E-01 0.183E-01 RMM: 4 -0.320023725966E+03 0.34712E-03 -0.83543E-04 4840 0.622E-02 0.108E-01 RMM: 5 -0.320023661068E+03 0.64898E-04 -0.11605E-04 3821 0.273E-02 0.772E-02 RMM: 6 -0.320023632629E+03 0.28439E-04 -0.28916E-05 2738 0.163E-02 0.487E-02 RMM: 7 -0.320023642942E+03 -0.10313E-04 -0.32174E-05 2697 0.162E-02 537 T= 5495. E= 0.67461347E+03 F= 0.63624535E+03 E0= 0.66485385E+03 EK= 0.44744E+02 SP= -.67E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320439957159E+03 -0.41632E+00 -0.15559E-01 8744 0.219E+01 0.216E-01 RMM: 2 -0.320461440118E+03 -0.21483E-01 -0.16254E-01 5292 0.839E-01 0.985E-01 RMM: 3 -0.320453580964E+03 0.78592E-02 -0.13398E-02 5787 0.229E-01 0.205E-01 RMM: 4 -0.320453194196E+03 0.38677E-03 -0.92789E-04 4820 0.655E-02 0.110E-01 RMM: 5 -0.320453134331E+03 0.59865E-04 -0.13536E-04 3855 0.290E-02 0.894E-02 RMM: 6 -0.320453090190E+03 0.44142E-04 -0.35519E-05 2970 0.179E-02 0.495E-02 RMM: 7 -0.320453098034E+03 -0.78449E-05 -0.27337E-05 2622 0.152E-02 538 T= 5588. E= 0.67460872E+03 F= 0.63581589E+03 E0= 0.66439412E+03 EK= 0.45507E+02 SP= -.71E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321332912666E+03 -0.87982E+00 -0.17340E-01 9064 0.222E+01 0.247E-01 RMM: 2 -0.321358601316E+03 -0.25689E-01 -0.17785E-01 5350 0.868E-01 0.118E+00 RMM: 3 -0.321347771238E+03 0.10830E-01 -0.15032E-02 5767 0.243E-01 0.230E-01 RMM: 4 -0.321347297637E+03 0.47360E-03 -0.11561E-03 4808 0.708E-02 0.116E-01 RMM: 5 -0.321347234865E+03 0.62772E-04 -0.16118E-04 3910 0.305E-02 0.954E-02 RMM: 6 -0.321347185934E+03 0.48932E-04 -0.38057E-05 3022 0.183E-02 0.533E-02 RMM: 7 -0.321347197103E+03 -0.11169E-04 -0.33016E-05 2731 0.162E-02 539 T= 5743. E= 0.67460187E+03 F= 0.63492179E+03 E0= 0.66346945E+03 EK= 0.46770E+02 SP= -.75E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322604521049E+03 -0.12573E+01 -0.20619E-01 8944 0.226E+01 0.249E-01 RMM: 2 -0.322631991253E+03 -0.27470E-01 -0.20846E-01 5403 0.931E-01 0.111E+00 RMM: 3 -0.322621757470E+03 0.10234E-01 -0.15848E-02 5827 0.250E-01 0.214E-01 RMM: 4 -0.322621347050E+03 0.41042E-03 -0.11504E-03 4863 0.715E-02 0.128E-01 RMM: 5 -0.322621266145E+03 0.80905E-04 -0.16856E-04 3898 0.320E-02 0.958E-02 RMM: 6 -0.322621214397E+03 0.51748E-04 -0.43113E-05 3080 0.194E-02 0.526E-02 RMM: 7 -0.322621223627E+03 -0.92302E-05 -0.31791E-05 2669 0.161E-02 540 T= 5950. E= 0.67459335E+03 F= 0.63364777E+03 E0= 0.66216481E+03 EK= 0.48450E+02 SP= -.79E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324155551675E+03 -0.15343E+01 -0.22935E-01 8952 0.230E+01 0.269E-01 RMM: 2 -0.324186620827E+03 -0.31069E-01 -0.21069E-01 5590 0.916E-01 0.131E+00 RMM: 3 -0.324172801290E+03 0.13820E-01 -0.14373E-02 5666 0.248E-01 0.258E-01 RMM: 4 -0.324172305800E+03 0.49549E-03 -0.13421E-03 4797 0.764E-02 0.129E-01 RMM: 5 -0.324172235747E+03 0.70053E-04 -0.19595E-04 3903 0.341E-02 0.108E-01 RMM: 6 -0.324172169277E+03 0.66470E-04 -0.53460E-05 3252 0.211E-02 0.538E-02 RMM: 7 -0.324172179172E+03 -0.98943E-05 -0.31991E-05 2729 0.160E-02 541 T= 6194. E= 0.67458340E+03 F= 0.63209681E+03 E0= 0.66058607E+03 EK= 0.50440E+02 SP= -.84E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325860690115E+03 -0.16885E+01 -0.25763E-01 8888 0.235E+01 0.250E-01 RMM: 2 -0.325890701577E+03 -0.30011E-01 -0.23386E-01 5562 0.967E-01 0.112E+00 RMM: 3 -0.325880155026E+03 0.10547E-01 -0.15497E-02 5794 0.251E-01 0.215E-01 RMM: 4 -0.325879758155E+03 0.39687E-03 -0.12134E-03 4836 0.724E-02 0.135E-01 RMM: 5 -0.325879664022E+03 0.94133E-04 -0.17992E-04 3904 0.335E-02 0.928E-02 RMM: 6 -0.325879617337E+03 0.46685E-04 -0.45117E-05 3105 0.196E-02 0.542E-02 RMM: 7 -0.325879626438E+03 -0.91010E-05 -0.34578E-05 2688 0.168E-02 542 T= 6461. E= 0.67457204E+03 F= 0.63038936E+03 E0= 0.65885519E+03 EK= 0.52616E+02 SP= -.89E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327586007923E+03 -0.17064E+01 -0.26610E-01 8968 0.240E+01 0.237E-01 RMM: 2 -0.327617066488E+03 -0.31059E-01 -0.23968E-01 5720 0.967E-01 0.113E+00 RMM: 3 -0.327606174902E+03 0.10892E-01 -0.14256E-02 5712 0.240E-01 0.220E-01 RMM: 4 -0.327605787169E+03 0.38773E-03 -0.11723E-03 4799 0.729E-02 0.142E-01 RMM: 5 -0.327605678108E+03 0.10906E-03 -0.18238E-04 3909 0.335E-02 0.964E-02 RMM: 6 -0.327605631352E+03 0.46756E-04 -0.48907E-05 3174 0.203E-02 0.572E-02 RMM: 7 -0.327605640088E+03 -0.87362E-05 -0.38216E-05 2784 0.171E-02 543 T= 6733. E= 0.67456007E+03 F= 0.62866335E+03 E0= 0.65711256E+03 EK= 0.54832E+02 SP= -.94E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329182199672E+03 -0.15766E+01 -0.27233E-01 8936 0.244E+01 0.226E-01 RMM: 2 -0.329212104754E+03 -0.29905E-01 -0.25408E-01 5709 0.991E-01 0.955E-01 RMM: 3 -0.329203523684E+03 0.85811E-02 -0.16176E-02 5944 0.245E-01 0.202E-01 RMM: 4 -0.329203116459E+03 0.40722E-03 -0.10703E-03 4828 0.697E-02 0.143E-01 RMM: 5 -0.329203000281E+03 0.11618E-03 -0.16837E-04 3896 0.329E-02 0.868E-02 RMM: 6 -0.329202966476E+03 0.33806E-04 -0.39952E-05 3020 0.186E-02 0.626E-02 RMM: 7 -0.329202970737E+03 -0.42607E-05 -0.44474E-05 2854 0.186E-02 544 T= 6991. E= 0.67454846E+03 F= 0.62706602E+03 E0= 0.65550808E+03 EK= 0.56929E+02 SP= -.99E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330507754140E+03 -0.13048E+01 -0.28095E-01 8904 0.249E+01 0.194E-01 RMM: 2 -0.330536005682E+03 -0.28252E-01 -0.25127E-01 6030 0.978E-01 0.812E-01 RMM: 3 -0.330529213341E+03 0.67923E-02 -0.12843E-02 5827 0.226E-01 0.162E-01 RMM: 4 -0.330529006578E+03 0.20676E-03 -0.88716E-04 4887 0.627E-02 0.159E-01 RMM: 5 -0.330528845226E+03 0.16135E-03 -0.13731E-04 3871 0.309E-02 0.793E-02 RMM: 6 -0.330528829883E+03 0.15343E-04 -0.37195E-05 2978 0.178E-02 545 T= 7215. E= 0.67453884E+03 F= 0.62574016E+03 E0= 0.65418560E+03 EK= 0.58755E+02 SP= -.10E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331443188812E+03 -0.91434E+00 -0.27788E-01 8856 0.252E+01 0.284E-01 RMM: 2 -0.331483564861E+03 -0.40376E-01 -0.25184E-01 6040 0.973E-01 0.156E+00 RMM: 3 -0.331464122653E+03 0.19442E-01 -0.15217E-02 5424 0.272E-01 0.275E-01 RMM: 4 -0.331463604848E+03 0.51781E-03 -0.16247E-03 4984 0.788E-02 0.128E-01 RMM: 5 -0.331463513203E+03 0.91645E-04 -0.17385E-04 4191 0.312E-02 0.969E-02 RMM: 6 -0.331463483578E+03 0.29625E-04 -0.34739E-05 2864 0.172E-02 0.897E-02 RMM: 7 -0.331463514245E+03 -0.30667E-04 -0.85456E-05 3728 0.244E-02 0.117E-01 RMM: 8 -0.331463416943E+03 0.97302E-04 -0.13673E-04 3896 0.252E-02 0.372E-02 RMM: 9 -0.331463425174E+03 -0.82302E-05 -0.33835E-05 2841 0.164E-02 546 T= 7390. E= 0.67453265E+03 F= 0.62480556E+03 E0= 0.65326717E+03 EK= 0.60177E+02 SP= -.11E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331906386859E+03 -0.44297E+00 -0.28871E-01 8808 0.254E+01 0.297E-01 RMM: 2 -0.331944900535E+03 -0.38514E-01 -0.25929E-01 5770 0.987E-01 0.144E+00 RMM: 3 -0.331927364357E+03 0.17536E-01 -0.16406E-02 5426 0.273E-01 0.218E-01 RMM: 4 -0.331927227928E+03 0.13643E-03 -0.19166E-03 4993 0.958E-02 0.221E-01 RMM: 5 -0.331926913108E+03 0.31482E-03 -0.35376E-04 3933 0.461E-02 0.939E-02 RMM: 6 -0.331926870877E+03 0.42231E-04 -0.58909E-05 3332 0.214E-02 0.571E-02 RMM: 7 -0.331926884068E+03 -0.13191E-04 -0.54780E-05 3238 0.204E-02 547 T= 7503. E= 0.67452996E+03 F= 0.62434211E+03 E0= 0.65283000E+03 EK= 0.61102E+02 SP= -.11E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331867592950E+03 0.59278E-01 -0.30918E-01 8752 0.255E+01 0.208E-01 RMM: 2 -0.331897839592E+03 -0.30247E-01 -0.25352E-01 6238 0.967E-01 0.958E-01 RMM: 3 -0.331888976094E+03 0.88635E-02 -0.12006E-02 5778 0.228E-01 0.215E-01 RMM: 4 -0.331888622069E+03 0.35403E-03 -0.93378E-04 4911 0.623E-02 0.117E-01 RMM: 5 -0.331888539263E+03 0.82806E-04 -0.10370E-04 3820 0.250E-02 0.902E-02 RMM: 6 -0.331888534603E+03 0.46599E-05 -0.34208E-05 2869 0.174E-02 548 T= 7551. E= 0.67453010E+03 F= 0.62438045E+03 E0= 0.65290459E+03 EK= 0.61488E+02 SP= -.12E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331343364836E+03 0.54517E+00 -0.33614E-01 8616 0.254E+01 0.391E-01 RMM: 2 -0.331399076789E+03 -0.55712E-01 -0.26554E-01 5614 0.103E+00 0.215E+00 RMM: 3 -0.331364944149E+03 0.34133E-01 -0.22099E-02 5377 0.341E-01 0.377E-01 RMM: 4 -0.331363933478E+03 0.10107E-02 -0.24980E-03 5145 0.972E-02 0.130E-01 RMM: 5 -0.331363847712E+03 0.85766E-04 -0.26553E-04 4283 0.349E-02 0.109E-01 RMM: 6 -0.331363796964E+03 0.50748E-04 -0.47891E-05 3104 0.196E-02 0.855E-02 RMM: 7 -0.331363848804E+03 -0.51840E-04 -0.89212E-05 3761 0.252E-02 0.126E-01 RMM: 8 -0.331363752276E+03 0.96528E-04 -0.14736E-04 3902 0.251E-02 0.651E-02 RMM: 9 -0.331363726166E+03 0.26111E-04 -0.31667E-05 2821 0.156E-02 0.240E-02 RMM: 10 -0.331363732808E+03 -0.66425E-05 -0.10924E-05 2478 0.107E-02 549 T= 7533. E= 0.67453387E+03 F= 0.62490526E+03 E0= 0.65347171E+03 EK= 0.61346E+02 SP= -.12E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330387108771E+03 0.97662E+00 -0.37345E-01 8776 0.253E+01 0.403E-01 RMM: 2 -0.330437611273E+03 -0.50503E-01 -0.28182E-01 5336 0.108E+00 0.191E+00 RMM: 3 -0.330410391849E+03 0.27219E-01 -0.23882E-02 5407 0.349E-01 0.405E-01 RMM: 4 -0.330409346758E+03 0.10451E-02 -0.30174E-03 5343 0.117E-01 0.183E-01 RMM: 5 -0.330409272008E+03 0.74751E-04 -0.43073E-04 3999 0.469E-02 0.168E-01 RMM: 6 -0.330409091662E+03 0.18035E-03 -0.13122E-04 3874 0.314E-02 0.567E-02 RMM: 7 -0.330409130166E+03 -0.38503E-04 -0.59714E-05 3351 0.196E-02 0.980E-02 RMM: 8 -0.330409081423E+03 0.48743E-04 -0.77622E-05 3814 0.237E-02 0.418E-02 RMM: 9 -0.330409073362E+03 0.80612E-05 -0.15868E-05 2529 0.116E-02 550 T= 7457. E= 0.67453968E+03 F= 0.62585992E+03 E0= 0.65446914E+03 EK= 0.60728E+02 SP= -.12E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329083570362E+03 0.13255E+01 -0.39307E-01 8640 0.251E+01 0.214E-01 RMM: 2 -0.329113990177E+03 -0.30420E-01 -0.25603E-01 5939 0.102E+00 0.951E-01 RMM: 3 -0.329106076156E+03 0.79140E-02 -0.14261E-02 5673 0.249E-01 0.193E-01 RMM: 4 -0.329105778716E+03 0.29744E-03 -0.10458E-03 4884 0.689E-02 0.136E-01 RMM: 5 -0.329105656012E+03 0.12270E-03 -0.14641E-04 3938 0.315E-02 0.776E-02 RMM: 6 -0.329105637204E+03 0.18808E-04 -0.39501E-05 2997 0.181E-02 551 T= 7333. E= 0.67454645E+03 F= 0.62716335E+03 E0= 0.65581171E+03 EK= 0.59717E+02 SP= -.12E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327524186414E+03 0.15815E+01 -0.39205E-01 8704 0.249E+01 0.375E-01 RMM: 2 -0.327574599640E+03 -0.50413E-01 -0.26013E-01 5487 0.105E+00 0.198E+00 RMM: 3 -0.327545634368E+03 0.28965E-01 -0.22775E-02 5406 0.344E-01 0.338E-01 RMM: 4 -0.327544820720E+03 0.81365E-03 -0.24898E-03 5310 0.951E-02 0.123E-01 RMM: 5 -0.327544753864E+03 0.66856E-04 -0.25825E-04 4123 0.353E-02 0.120E-01 RMM: 6 -0.327544681229E+03 0.72635E-04 -0.75054E-05 3483 0.234E-02 0.797E-02 RMM: 7 -0.327544777977E+03 -0.96748E-04 -0.12732E-04 3883 0.285E-02 0.148E-01 RMM: 8 -0.327544644966E+03 0.13301E-03 -0.13742E-04 3898 0.280E-02 0.529E-02 RMM: 9 -0.327544628329E+03 0.16637E-04 -0.20599E-05 2602 0.126E-02 552 T= 7172. E= 0.67455352E+03 F= 0.62872436E+03 E0= 0.65740352E+03 EK= 0.58407E+02 SP= -.13E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325801342070E+03 0.17433E+01 -0.36732E-01 8792 0.247E+01 0.351E-01 RMM: 2 -0.325846469721E+03 -0.45128E-01 -0.26130E-01 5437 0.104E+00 0.176E+00 RMM: 3 -0.325823140846E+03 0.23329E-01 -0.21498E-02 5403 0.334E-01 0.336E-01 RMM: 4 -0.325822464266E+03 0.67658E-03 -0.25358E-03 5329 0.104E-01 0.180E-01 RMM: 5 -0.325822398790E+03 0.65476E-04 -0.35757E-04 3938 0.443E-02 0.162E-01 RMM: 6 -0.325822226380E+03 0.17241E-03 -0.10604E-04 3771 0.282E-02 0.541E-02 RMM: 7 -0.325822261522E+03 -0.35142E-04 -0.64934E-05 3417 0.213E-02 0.916E-02 RMM: 8 -0.325822215714E+03 0.45808E-04 -0.70030E-05 3560 0.226E-02 0.351E-02 RMM: 9 -0.325822210991E+03 0.47232E-05 -0.13444E-05 2505 0.105E-02 553 T= 6987. E= 0.67456117E+03 F= 0.63044678E+03 E0= 0.65914716E+03 EK= 0.56902E+02 SP= -.13E+02 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324019837174E+03 0.18024E+01 -0.33032E-01 8888 0.245E+01 0.245E-01 RMM: 2 -0.324052847052E+03 -0.33010E-01 -0.24453E-01 5514 0.103E+00 0.121E+00 RMM: 3 -0.324041161280E+03 0.11686E-01 -0.18193E-02 5618 0.278E-01 0.220E-01 RMM: 4 -0.324040736755E+03 0.42453E-03 -0.13792E-03 4923 0.757E-02 0.121E-01 RMM: 5 -0.324040654696E+03 0.82058E-04 -0.17477E-04 4489 0.315E-02 0.882E-02 RMM: 6 -0.324040621339E+03 0.33357E-04 -0.37039E-05 2908 0.181E-02 0.621E-02 RMM: 7 -0.324040651281E+03 -0.29942E-04 -0.62581E-05 3369 0.213E-02 0.983E-02 RMM: 8 -0.324040591523E+03 0.59758E-04 -0.74447E-05 3670 0.220E-02 0.321E-02 RMM: 9 -0.324040590064E+03 0.14591E-05 -0.15168E-05 2505 0.112E-02 554 T= 6792. E= 0.67456958E+03 F= 0.63222840E+03 E0= 0.66093897E+03 EK= 0.55313E+02 SP= -.13E+02 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322288684163E+03 0.17519E+01 -0.27846E-01 8928 0.243E+01 0.245E-01 RMM: 2 -0.322318734054E+03 -0.30050E-01 -0.23040E-01 5526 0.999E-01 0.112E+00 RMM: 3 -0.322308955319E+03 0.97787E-02 -0.16805E-02 5660 0.267E-01 0.239E-01 RMM: 4 -0.322308494649E+03 0.46067E-03 -0.13070E-03 4845 0.755E-02 0.124E-01 RMM: 5 -0.322308416627E+03 0.78021E-04 -0.17374E-04 4146 0.314E-02 0.903E-02 RMM: 6 -0.322308379380E+03 0.37247E-04 -0.33365E-05 2887 0.172E-02 0.629E-02 RMM: 7 -0.322308400124E+03 -0.20744E-04 -0.48065E-05 3166 0.196E-02 0.895E-02 RMM: 8 -0.322308349784E+03 0.50340E-04 -0.67520E-05 3496 0.210E-02 0.340E-02 RMM: 9 -0.322308348080E+03 0.17039E-05 -0.18357E-05 2531 0.122E-02 555 T= 6601. E= 0.67457778E+03 F= 0.63396064E+03 E0= 0.66267084E+03 EK= 0.53757E+02 SP= -.13E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320707273923E+03 0.16011E+01 -0.23000E-01 8920 0.240E+01 0.216E-01 RMM: 2 -0.320735779157E+03 -0.28505E-01 -0.22718E-01 5478 0.100E+00 0.101E+00 RMM: 3 -0.320727431480E+03 0.83477E-02 -0.17058E-02 5793 0.256E-01 0.194E-01 RMM: 4 -0.320727059207E+03 0.37227E-03 -0.10979E-03 4814 0.715E-02 0.132E-01 RMM: 5 -0.320726957072E+03 0.10214E-03 -0.14775E-04 3995 0.298E-02 0.815E-02 RMM: 6 -0.320726933884E+03 0.23188E-04 -0.30596E-05 2753 0.166E-02 0.644E-02 RMM: 7 -0.320726949790E+03 -0.15906E-04 -0.46924E-05 3123 0.192E-02 556 T= 6427. E= 0.67458338E+03 F= 0.63554204E+03 E0= 0.66424191E+03 EK= 0.52341E+02 SP= -.13E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319341055904E+03 0.13859E+01 -0.19517E-01 8744 0.238E+01 0.218E-01 RMM: 2 -0.319369720635E+03 -0.28665E-01 -0.22794E-01 5308 0.100E+00 0.103E+00 RMM: 3 -0.319361181915E+03 0.85387E-02 -0.19378E-02 5886 0.264E-01 0.228E-01 RMM: 4 -0.319360586402E+03 0.59551E-03 -0.11096E-03 4916 0.709E-02 0.102E-01 RMM: 5 -0.319360553450E+03 0.32952E-04 -0.14287E-04 4338 0.285E-02 0.898E-02 RMM: 6 -0.319360531617E+03 0.21833E-04 -0.24897E-05 2568 0.149E-02 0.756E-02 RMM: 7 -0.319360565543E+03 -0.33926E-04 -0.70119E-05 3526 0.228E-02 0.104E-01 RMM: 8 -0.319360502619E+03 0.62923E-04 -0.10618E-04 3894 0.249E-02 0.415E-02 RMM: 9 -0.319360495181E+03 0.74379E-05 -0.17125E-05 2568 0.118E-02 557 T= 6279. E= 0.67458482E+03 F= 0.63690849E+03 E0= 0.66559017E+03 EK= 0.51134E+02 SP= -.14E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318199211117E+03 0.11613E+01 -0.17385E-01 8752 0.236E+01 0.228E-01 RMM: 2 -0.318225829789E+03 -0.26619E-01 -0.21605E-01 5144 0.966E-01 0.973E-01 RMM: 3 -0.318217859306E+03 0.79705E-02 -0.19112E-02 5984 0.257E-01 0.200E-01 RMM: 4 -0.318217410370E+03 0.44894E-03 -0.11619E-03 4781 0.760E-02 0.144E-01 RMM: 5 -0.318217308161E+03 0.10221E-03 -0.18706E-04 3896 0.333E-02 0.972E-02 RMM: 6 -0.318217254036E+03 0.54124E-04 -0.50221E-05 3198 0.207E-02 0.486E-02 RMM: 7 -0.318217261753E+03 -0.77168E-05 -0.25101E-05 2571 0.152E-02 558 T= 6159. E= 0.67458344E+03 F= 0.63805173E+03 E0= 0.66671041E+03 EK= 0.50152E+02 SP= -.14E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317246963220E+03 0.97029E+00 -0.16132E-01 8880 0.234E+01 0.198E-01 RMM: 2 -0.317270318952E+03 -0.23356E-01 -0.19528E-01 5221 0.902E-01 0.861E-01 RMM: 3 -0.317263725848E+03 0.65931E-02 -0.16658E-02 6032 0.240E-01 0.202E-01 RMM: 4 -0.317263248058E+03 0.47779E-03 -0.84808E-04 4876 0.625E-02 0.985E-02 RMM: 5 -0.317263204353E+03 0.43705E-04 -0.11272E-04 3957 0.262E-02 0.796E-02 RMM: 6 -0.317263187031E+03 0.17322E-04 -0.25090E-05 2571 0.150E-02 559 T= 6062. E= 0.67458091E+03 F= 0.63900580E+03 E0= 0.66764073E+03 EK= 0.49368E+02 SP= -.14E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316433816309E+03 0.82939E+00 -0.16025E-01 8976 0.233E+01 0.274E-01 RMM: 2 -0.316465070458E+03 -0.31254E-01 -0.19115E-01 5293 0.887E-01 0.141E+00 RMM: 3 -0.316449592438E+03 0.15478E-01 -0.16951E-02 5479 0.276E-01 0.241E-01 RMM: 4 -0.316449145794E+03 0.44664E-03 -0.15479E-03 5086 0.757E-02 0.110E-01 RMM: 5 -0.316449074341E+03 0.71452E-04 -0.14927E-04 4412 0.288E-02 0.863E-02 RMM: 6 -0.316449049988E+03 0.24354E-04 -0.26610E-05 2598 0.153E-02 0.738E-02 RMM: 7 -0.316449081118E+03 -0.31130E-04 -0.77544E-05 3638 0.236E-02 0.106E-01 RMM: 8 -0.316449010085E+03 0.71033E-04 -0.11570E-04 3886 0.237E-02 0.402E-02 RMM: 9 -0.316449004627E+03 0.54586E-05 -0.19425E-05 2586 0.125E-02 560 T= 5985. E= 0.67457863E+03 F= 0.63981998E+03 E0= 0.66843491E+03 EK= 0.48737E+02 SP= -.14E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315715713985E+03 0.73330E+00 -0.16341E-01 8896 0.232E+01 0.342E-01 RMM: 2 -0.315750349382E+03 -0.34635E-01 -0.20533E-01 5059 0.953E-01 0.155E+00 RMM: 3 -0.315732429692E+03 0.17920E-01 -0.20438E-02 5505 0.306E-01 0.318E-01 RMM: 4 -0.315731717991E+03 0.71170E-03 -0.21786E-03 5082 0.995E-02 0.158E-01 RMM: 5 -0.315731700225E+03 0.17766E-04 -0.32477E-04 3914 0.420E-02 0.164E-01 RMM: 6 -0.315731524270E+03 0.17595E-03 -0.10053E-04 3701 0.282E-02 0.476E-02 RMM: 7 -0.315731533717E+03 -0.94465E-05 -0.33060E-05 2862 0.165E-02 561 T= 5921. E= 0.67457765E+03 F= 0.64053746E+03 E0= 0.66913905E+03 EK= 0.48220E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315071782156E+03 0.65974E+00 -0.16097E-01 8856 0.230E+01 0.221E-01 RMM: 2 -0.315097639934E+03 -0.25858E-01 -0.19130E-01 5270 0.894E-01 0.107E+00 RMM: 3 -0.315088116445E+03 0.95235E-02 -0.16038E-02 5809 0.249E-01 0.229E-01 RMM: 4 -0.315087602360E+03 0.51409E-03 -0.10463E-03 4823 0.687E-02 0.970E-02 RMM: 5 -0.315087551579E+03 0.50780E-04 -0.13635E-04 4169 0.276E-02 0.798E-02 RMM: 6 -0.315087525325E+03 0.26254E-04 -0.26177E-05 2621 0.152E-02 0.618E-02 RMM: 7 -0.315087544071E+03 -0.18746E-04 -0.53031E-05 3229 0.203E-02 562 T= 5869. E= 0.67457702E+03 F= 0.64118145E+03 E0= 0.66977972E+03 EK= 0.47795E+02 SP= -.15E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314502088327E+03 0.58544E+00 -0.16050E-01 8920 0.229E+01 0.245E-01 RMM: 2 -0.314527621437E+03 -0.25533E-01 -0.18544E-01 5147 0.890E-01 0.112E+00 RMM: 3 -0.314517676551E+03 0.99449E-02 -0.16497E-02 5822 0.256E-01 0.216E-01 RMM: 4 -0.314517245585E+03 0.43097E-03 -0.11452E-03 4926 0.702E-02 0.115E-01 RMM: 5 -0.314517169665E+03 0.75920E-04 -0.15599E-04 3891 0.305E-02 0.888E-02 RMM: 6 -0.314517121907E+03 0.47757E-04 -0.38352E-05 3038 0.183E-02 0.469E-02 RMM: 7 -0.314517123992E+03 -0.20848E-05 -0.29105E-05 2641 0.161E-02 563 T= 5829. E= 0.67457771E+03 F= 0.64175187E+03 E0= 0.67035608E+03 EK= 0.47464E+02 SP= -.15E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314028209578E+03 0.48891E+00 -0.16434E-01 8896 0.229E+01 0.241E-01 RMM: 2 -0.314054238892E+03 -0.26029E-01 -0.18816E-01 5189 0.901E-01 0.112E+00 RMM: 3 -0.314044247442E+03 0.99915E-02 -0.17100E-02 5767 0.260E-01 0.242E-01 RMM: 4 -0.314043684476E+03 0.56297E-03 -0.11991E-03 4957 0.716E-02 0.102E-01 RMM: 5 -0.314043634366E+03 0.50110E-04 -0.15902E-04 3913 0.308E-02 0.900E-02 RMM: 6 -0.314043587470E+03 0.46896E-04 -0.37342E-05 2986 0.179E-02 0.556E-02 RMM: 7 -0.314043601105E+03 -0.13635E-04 -0.44551E-05 2978 0.190E-02 564 T= 5803. E= 0.67457997E+03 F= 0.64222539E+03 E0= 0.67084614E+03 EK= 0.47254E+02 SP= -.15E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313695031840E+03 0.34856E+00 -0.17030E-01 8768 0.228E+01 0.245E-01 RMM: 2 -0.313721310876E+03 -0.26279E-01 -0.19675E-01 5110 0.941E-01 0.108E+00 RMM: 3 -0.313711889670E+03 0.94212E-02 -0.18888E-02 5795 0.268E-01 0.227E-01 RMM: 4 -0.313711360298E+03 0.52937E-03 -0.12458E-03 5027 0.726E-02 0.110E-01 RMM: 5 -0.313711303079E+03 0.57219E-04 -0.16611E-04 3959 0.316E-02 0.905E-02 RMM: 6 -0.313711254093E+03 0.48987E-04 -0.36525E-05 2976 0.179E-02 0.500E-02 RMM: 7 -0.313711261994E+03 -0.79012E-05 -0.34256E-05 2758 0.174E-02 565 T= 5797. E= 0.67458305E+03 F= 0.64255773E+03 E0= 0.67120269E+03 EK= 0.47209E+02 SP= -.15E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313560842909E+03 0.15041E+00 -0.16567E-01 8672 0.229E+01 0.233E-01 RMM: 2 -0.313586803910E+03 -0.25961E-01 -0.18822E-01 5053 0.937E-01 0.112E+00 RMM: 3 -0.313577025283E+03 0.97786E-02 -0.18084E-02 5771 0.267E-01 0.244E-01 RMM: 4 -0.313576428972E+03 0.59631E-03 -0.12267E-03 4920 0.747E-02 0.100E-01 RMM: 5 -0.313576388856E+03 0.40116E-04 -0.17110E-04 3943 0.319E-02 0.926E-02 RMM: 6 -0.313576339487E+03 0.49369E-04 -0.39549E-05 3021 0.186E-02 0.537E-02 RMM: 7 -0.313576347317E+03 -0.78298E-05 -0.31227E-05 2667 0.166E-02 566 T= 5819. E= 0.67458610E+03 F= 0.64269264E+03 E0= 0.67136810E+03 EK= 0.47386E+02 SP= -.16E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313676325281E+03 -0.99986E-01 -0.15117E-01 8520 0.230E+01 0.251E-01 RMM: 2 -0.313701179541E+03 -0.24854E-01 -0.17241E-01 5102 0.906E-01 0.114E+00 RMM: 3 -0.313691016856E+03 0.10163E-01 -0.17257E-02 5686 0.266E-01 0.278E-01 RMM: 4 -0.313690346922E+03 0.66993E-03 -0.13412E-03 4992 0.758E-02 0.964E-02 RMM: 5 -0.313690311785E+03 0.35136E-04 -0.18122E-04 3986 0.322E-02 0.897E-02 RMM: 6 -0.313690261352E+03 0.50434E-04 -0.33506E-05 2890 0.173E-02 0.503E-02 RMM: 7 -0.313690263579E+03 -0.22277E-05 -0.28663E-05 2624 0.163E-02 567 T= 5874. E= 0.67458738E+03 F= 0.64257873E+03 E0= 0.67128806E+03 EK= 0.47835E+02 SP= -.16E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314063621004E+03 -0.37336E+00 -0.14161E-01 8280 0.232E+01 0.236E-01 RMM: 2 -0.314089658706E+03 -0.26038E-01 -0.17842E-01 4900 0.949E-01 0.120E+00 RMM: 3 -0.314079158744E+03 0.10500E-01 -0.19298E-02 5729 0.274E-01 0.246E-01 RMM: 4 -0.314078536318E+03 0.62243E-03 -0.13279E-03 5057 0.766E-02 0.938E-02 RMM: 5 -0.314078515397E+03 0.20920E-04 -0.18648E-04 3969 0.328E-02 0.937E-02 RMM: 6 -0.314078459635E+03 0.55763E-04 -0.40656E-05 3033 0.188E-02 0.462E-02 RMM: 7 -0.314078460718E+03 -0.10833E-05 -0.18114E-05 2522 0.133E-02 568 T= 5966. E= 0.67458606E+03 F= 0.64219053E+03 E0= 0.67093606E+03 EK= 0.48582E+02 SP= -.17E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314714502151E+03 -0.63604E+00 -0.14136E-01 8120 0.234E+01 0.215E-01 RMM: 2 -0.314735480466E+03 -0.20978E-01 -0.15282E-01 5003 0.885E-01 0.102E+00 RMM: 3 -0.314727666604E+03 0.78139E-02 -0.15873E-02 5719 0.250E-01 0.210E-01 RMM: 4 -0.314727213789E+03 0.45282E-03 -0.10418E-03 5037 0.675E-02 0.944E-02 RMM: 5 -0.314727167177E+03 0.46612E-04 -0.13627E-04 3920 0.295E-02 0.764E-02 RMM: 6 -0.314727132527E+03 0.34650E-04 -0.27665E-05 2672 0.157E-02 0.469E-02 RMM: 7 -0.314727132265E+03 0.26202E-06 -0.19527E-05 2530 0.138E-02 569 T= 6092. E= 0.67458147E+03 F= 0.64154186E+03 E0= 0.67032411E+03 EK= 0.49612E+02 SP= -.17E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315567481560E+03 -0.84035E+00 -0.13555E-01 8160 0.238E+01 0.231E-01 RMM: 2 -0.315589595956E+03 -0.22114E-01 -0.14836E-01 4942 0.873E-01 0.113E+00 RMM: 3 -0.315580314735E+03 0.92812E-02 -0.16648E-02 5751 0.253E-01 0.239E-01 RMM: 4 -0.315579740821E+03 0.57391E-03 -0.11676E-03 4841 0.734E-02 0.105E-01 RMM: 5 -0.315579695521E+03 0.45300E-04 -0.16777E-04 3948 0.311E-02 0.907E-02 RMM: 6 -0.315579647188E+03 0.48333E-04 -0.34924E-05 2920 0.180E-02 0.500E-02 RMM: 7 -0.315579647972E+03 -0.78394E-06 -0.19308E-05 2557 0.134E-02 570 T= 6247. E= 0.67457541E+03 F= 0.64068934E+03 E0= 0.66950693E+03 EK= 0.50868E+02 SP= -.17E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316541927517E+03 -0.96228E+00 -0.13786E-01 8192 0.241E+01 0.213E-01 RMM: 2 -0.316560653681E+03 -0.18726E-01 -0.13600E-01 5248 0.814E-01 0.995E-01 RMM: 3 -0.316553291281E+03 0.73624E-02 -0.13389E-02 5801 0.227E-01 0.195E-01 RMM: 4 -0.316552937613E+03 0.35367E-03 -0.91318E-04 4928 0.633E-02 0.117E-01 RMM: 5 -0.316552845996E+03 0.91617E-04 -0.11825E-04 3840 0.277E-02 0.775E-02 RMM: 6 -0.316552821893E+03 0.24103E-04 -0.25986E-05 2620 0.154E-02 0.614E-02 RMM: 7 -0.316552813344E+03 0.85490E-05 -0.33786E-05 2691 0.161E-02 571 T= 6418. E= 0.67456938E+03 F= 0.63971618E+03 E0= 0.66856759E+03 EK= 0.52265E+02 SP= -.18E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317544775058E+03 -0.99195E+00 -0.14087E-01 8296 0.244E+01 0.229E-01 RMM: 2 -0.317565976157E+03 -0.21201E-01 -0.14853E-01 5107 0.853E-01 0.109E+00 RMM: 3 -0.317557231862E+03 0.87443E-02 -0.15552E-02 5806 0.244E-01 0.223E-01 RMM: 4 -0.317556760898E+03 0.47096E-03 -0.10862E-03 4801 0.713E-02 0.126E-01 RMM: 5 -0.317556667501E+03 0.93397E-04 -0.15349E-04 3889 0.306E-02 0.924E-02 RMM: 6 -0.317556625935E+03 0.41566E-04 -0.32253E-05 2847 0.175E-02 0.610E-02 RMM: 7 -0.317556621665E+03 0.42703E-05 -0.26951E-05 2637 0.149E-02 572 T= 6595. E= 0.67456374E+03 F= 0.63871237E+03 E0= 0.66759491E+03 EK= 0.53708E+02 SP= -.18E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318497463135E+03 -0.94084E+00 -0.14277E-01 8776 0.247E+01 0.214E-01 RMM: 2 -0.318515563100E+03 -0.18100E-01 -0.13662E-01 5327 0.803E-01 0.959E-01 RMM: 3 -0.318508589992E+03 0.69731E-02 -0.12557E-02 5856 0.219E-01 0.188E-01 RMM: 4 -0.318508266331E+03 0.32366E-03 -0.83463E-04 4838 0.614E-02 0.125E-01 RMM: 5 -0.318508156128E+03 0.11020E-03 -0.11605E-04 3819 0.273E-02 0.802E-02 RMM: 6 -0.318508131622E+03 0.24505E-04 -0.26235E-05 2647 0.155E-02 0.645E-02 RMM: 7 -0.318508116609E+03 0.15014E-04 -0.38824E-05 2728 0.168E-02 573 T= 6767. E= 0.67455901E+03 F= 0.63776087E+03 E0= 0.66667168E+03 EK= 0.55108E+02 SP= -.19E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319328021079E+03 -0.81989E+00 -0.15269E-01 8840 0.249E+01 0.206E-01 RMM: 2 -0.319347369915E+03 -0.19349E-01 -0.14840E-01 5223 0.837E-01 0.964E-01 RMM: 3 -0.319340352188E+03 0.70177E-02 -0.13725E-02 5912 0.224E-01 0.193E-01 RMM: 4 -0.319339993163E+03 0.35903E-03 -0.85689E-04 4738 0.648E-02 0.129E-01 RMM: 5 -0.319339878265E+03 0.11490E-03 -0.12940E-04 3819 0.287E-02 0.837E-02 RMM: 6 -0.319339848499E+03 0.29766E-04 -0.28607E-05 2735 0.163E-02 0.611E-02 RMM: 7 -0.319339836330E+03 0.12169E-04 -0.38010E-05 2696 0.168E-02 574 T= 6925. E= 0.67455573E+03 F= 0.63692915E+03 E0= 0.66586341E+03 EK= 0.56389E+02 SP= -.19E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319993117797E+03 -0.65327E+00 -0.16549E-01 8992 0.250E+01 0.201E-01 RMM: 2 -0.320011525218E+03 -0.18407E-01 -0.15458E-01 5348 0.833E-01 0.834E-01 RMM: 3 -0.320005628868E+03 0.58964E-02 -0.12461E-02 6065 0.216E-01 0.167E-01 RMM: 4 -0.320005364007E+03 0.26486E-03 -0.74926E-04 4839 0.590E-02 0.131E-01 RMM: 5 -0.320005239913E+03 0.12409E-03 -0.11138E-04 3758 0.271E-02 0.791E-02 RMM: 6 -0.320005214446E+03 0.25466E-04 -0.27006E-05 2662 0.157E-02 0.611E-02 RMM: 7 -0.320005199901E+03 0.14546E-04 -0.42015E-05 2768 0.178E-02 575 T= 7061. E= 0.67455386E+03 F= 0.63626379E+03 E0= 0.66521676E+03 EK= 0.57498E+02 SP= -.20E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320468350708E+03 -0.46314E+00 -0.17569E-01 8920 0.252E+01 0.200E-01 RMM: 2 -0.320489162167E+03 -0.20811E-01 -0.17380E-01 5364 0.867E-01 0.873E-01 RMM: 3 -0.320482472499E+03 0.66897E-02 -0.13465E-02 6104 0.223E-01 0.187E-01 RMM: 4 -0.320482131131E+03 0.34137E-03 -0.82707E-04 4785 0.633E-02 0.125E-01 RMM: 5 -0.320482017310E+03 0.11382E-03 -0.11934E-04 3793 0.276E-02 0.810E-02 RMM: 6 -0.320481991888E+03 0.25422E-04 -0.26478E-05 2642 0.156E-02 0.611E-02 RMM: 7 -0.320481983767E+03 0.81216E-05 -0.40843E-05 2765 0.177E-02 576 T= 7172. E= 0.67455264E+03 F= 0.63578701E+03 E0= 0.66475311E+03 EK= 0.58404E+02 SP= -.20E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320750656705E+03 -0.26866E+00 -0.18886E-01 8920 0.252E+01 0.194E-01 RMM: 2 -0.320771564585E+03 -0.20908E-01 -0.18253E-01 5480 0.875E-01 0.795E-01 RMM: 3 -0.320765389973E+03 0.61746E-02 -0.12962E-02 6096 0.222E-01 0.176E-01 RMM: 4 -0.320765113859E+03 0.27611E-03 -0.78990E-04 4775 0.608E-02 0.132E-01 RMM: 5 -0.320764991559E+03 0.12230E-03 -0.11991E-04 3786 0.285E-02 0.776E-02 RMM: 6 -0.320764967600E+03 0.23959E-04 -0.28320E-05 2750 0.160E-02 0.602E-02 RMM: 7 -0.320764962345E+03 0.52544E-05 -0.41284E-05 2828 0.183E-02 577 T= 7257. E= 0.67455246E+03 F= 0.63550403E+03 E0= 0.66447891E+03 EK= 0.59094E+02 SP= -.20E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320847089887E+03 -0.82122E-01 -0.19480E-01 8944 0.253E+01 0.217E-01 RMM: 2 -0.320870380638E+03 -0.23291E-01 -0.18880E-01 5343 0.901E-01 0.951E-01 RMM: 3 -0.320862363803E+03 0.80168E-02 -0.14553E-02 6060 0.240E-01 0.195E-01 RMM: 4 -0.320862001966E+03 0.36184E-03 -0.91707E-04 4832 0.661E-02 0.120E-01 RMM: 5 -0.320861911642E+03 0.90325E-04 -0.13119E-04 3808 0.291E-02 0.849E-02 RMM: 6 -0.320861878745E+03 0.32897E-04 -0.31542E-05 2818 0.171E-02 0.573E-02 RMM: 7 -0.320861879461E+03 -0.71571E-06 -0.34075E-05 2697 0.171E-02 578 T= 7315. E= 0.67455328E+03 F= 0.63540711E+03 E0= 0.66438553E+03 EK= 0.59570E+02 SP= -.21E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320775166723E+03 0.86712E-01 -0.19498E-01 8856 0.253E+01 0.223E-01 RMM: 2 -0.320800706098E+03 -0.25539E-01 -0.19493E-01 5299 0.937E-01 0.107E+00 RMM: 3 -0.320791319017E+03 0.93871E-02 -0.15587E-02 5935 0.253E-01 0.224E-01 RMM: 4 -0.320790866154E+03 0.45286E-03 -0.10321E-03 4831 0.698E-02 0.114E-01 RMM: 5 -0.320790792184E+03 0.73970E-04 -0.14662E-04 3880 0.314E-02 0.847E-02 RMM: 6 -0.320790757682E+03 0.34503E-04 -0.35452E-05 2936 0.178E-02 0.560E-02 RMM: 7 -0.320790761965E+03 -0.42836E-05 -0.35660E-05 2707 0.178E-02 579 T= 7349. E= 0.67455450E+03 F= 0.63547823E+03 E0= 0.66445633E+03 EK= 0.59847E+02 SP= -.21E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320556857773E+03 0.23390E+00 -0.18816E-01 8872 0.253E+01 0.240E-01 RMM: 2 -0.320581626324E+03 -0.24769E-01 -0.18871E-01 5169 0.934E-01 0.106E+00 RMM: 3 -0.320572346002E+03 0.92803E-02 -0.16176E-02 5933 0.264E-01 0.221E-01 RMM: 4 -0.320571905540E+03 0.44046E-03 -0.10747E-03 4878 0.712E-02 0.112E-01 RMM: 5 -0.320571853225E+03 0.52314E-04 -0.15524E-04 3873 0.323E-02 0.968E-02 RMM: 6 -0.320571801056E+03 0.52170E-04 -0.41388E-05 3032 0.194E-02 0.511E-02 RMM: 7 -0.320571806712E+03 -0.56565E-05 -0.23816E-05 2566 0.151E-02 580 T= 7360. E= 0.67455597E+03 F= 0.63569718E+03 E0= 0.66467011E+03 EK= 0.59940E+02 SP= -.21E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320209221846E+03 0.36258E+00 -0.18212E-01 8824 0.253E+01 0.247E-01 RMM: 2 -0.320236267237E+03 -0.27045E-01 -0.18826E-01 5133 0.943E-01 0.122E+00 RMM: 3 -0.320224719013E+03 0.11548E-01 -0.17009E-02 5876 0.273E-01 0.242E-01 RMM: 4 -0.320224197567E+03 0.52145E-03 -0.11493E-03 4877 0.730E-02 0.107E-01 RMM: 5 -0.320224152833E+03 0.44735E-04 -0.15844E-04 3899 0.328E-02 0.919E-02 RMM: 6 -0.320224108662E+03 0.44171E-04 -0.39169E-05 2986 0.188E-02 0.528E-02 RMM: 7 -0.320224118025E+03 -0.93628E-05 -0.27161E-05 2585 0.160E-02 581 T= 7351. E= 0.67455705E+03 F= 0.63604487E+03 E0= 0.66500898E+03 EK= 0.59866E+02 SP= -.21E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319747611272E+03 0.47650E+00 -0.17481E-01 8560 0.253E+01 0.235E-01 RMM: 2 -0.319771919334E+03 -0.24308E-01 -0.18608E-01 5112 0.945E-01 0.103E+00 RMM: 3 -0.319763065980E+03 0.88534E-02 -0.17264E-02 5841 0.274E-01 0.220E-01 RMM: 4 -0.319762612104E+03 0.45388E-03 -0.10997E-03 4931 0.714E-02 0.109E-01 RMM: 5 -0.319762568257E+03 0.43847E-04 -0.15106E-04 3883 0.327E-02 0.959E-02 RMM: 6 -0.319762514520E+03 0.53737E-04 -0.41103E-05 3021 0.193E-02 0.489E-02 RMM: 7 -0.319762522404E+03 -0.78833E-05 -0.23377E-05 2553 0.151E-02 582 T= 7324. E= 0.67455819E+03 F= 0.63650647E+03 E0= 0.66545790E+03 EK= 0.59642E+02 SP= -.22E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319184887894E+03 0.57763E+00 -0.17175E-01 8264 0.253E+01 0.251E-01 RMM: 2 -0.319211181738E+03 -0.26294E-01 -0.18278E-01 5085 0.949E-01 0.121E+00 RMM: 3 -0.319199810526E+03 0.11371E-01 -0.17487E-02 5861 0.279E-01 0.225E-01 RMM: 4 -0.319199357319E+03 0.45321E-03 -0.11455E-03 4933 0.721E-02 0.114E-01 RMM: 5 -0.319199302246E+03 0.55074E-04 -0.15405E-04 3872 0.332E-02 0.959E-02 RMM: 6 -0.319199251826E+03 0.50420E-04 -0.41879E-05 3031 0.194E-02 0.511E-02 RMM: 7 -0.319199260252E+03 -0.84260E-05 -0.25809E-05 2572 0.157E-02 583 T= 7279. E= 0.67455922E+03 F= 0.63706973E+03 E0= 0.66600586E+03 EK= 0.59279E+02 SP= -.22E+02 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318531402983E+03 0.66785E+00 -0.17223E-01 8208 0.253E+01 0.211E-01 RMM: 2 -0.318553323297E+03 -0.21920E-01 -0.17370E-01 5075 0.923E-01 0.935E-01 RMM: 3 -0.318545885944E+03 0.74374E-02 -0.16391E-02 5841 0.267E-01 0.211E-01 RMM: 4 -0.318545481109E+03 0.40484E-03 -0.96686E-04 4917 0.680E-02 0.110E-01 RMM: 5 -0.318545417840E+03 0.63268E-04 -0.13130E-04 3831 0.312E-02 0.857E-02 RMM: 6 -0.318545378837E+03 0.39003E-04 -0.35676E-05 2911 0.179E-02 0.528E-02 RMM: 7 -0.318545385941E+03 -0.71041E-05 -0.29313E-05 2623 0.165E-02 584 T= 7219. E= 0.67456022E+03 F= 0.63772360E+03 E0= 0.66664240E+03 EK= 0.58790E+02 SP= -.22E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317804742062E+03 0.74064E+00 -0.15777E-01 8000 0.253E+01 0.243E-01 RMM: 2 -0.317826785368E+03 -0.22043E-01 -0.15518E-01 5119 0.876E-01 0.112E+00 RMM: 3 -0.317817014774E+03 0.97706E-02 -0.14769E-02 5884 0.259E-01 0.191E-01 RMM: 4 -0.317816718641E+03 0.29613E-03 -0.98326E-04 4817 0.672E-02 0.130E-01 RMM: 5 -0.317816632881E+03 0.85760E-04 -0.13617E-04 3832 0.318E-02 0.928E-02 RMM: 6 -0.317816584794E+03 0.48086E-04 -0.40109E-05 3016 0.191E-02 0.507E-02 RMM: 7 -0.317816590806E+03 -0.60117E-05 -0.30795E-05 2619 0.169E-02 585 T= 7146. E= 0.67456236E+03 F= 0.63845240E+03 E0= 0.66735344E+03 EK= 0.58196E+02 SP= -.22E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317029055566E+03 0.78753E+00 -0.15656E-01 7888 0.252E+01 0.221E-01 RMM: 2 -0.317051529460E+03 -0.22474E-01 -0.16597E-01 4982 0.921E-01 0.105E+00 RMM: 3 -0.317042986360E+03 0.85431E-02 -0.16811E-02 5841 0.263E-01 0.222E-01 RMM: 4 -0.317042546898E+03 0.43946E-03 -0.10123E-03 4789 0.713E-02 0.120E-01 RMM: 5 -0.317042459332E+03 0.87566E-04 -0.14230E-04 3889 0.315E-02 0.854E-02 RMM: 6 -0.317042422275E+03 0.37057E-04 -0.35809E-05 2923 0.181E-02 0.543E-02 RMM: 7 -0.317042427204E+03 -0.49288E-05 -0.31625E-05 2642 0.166E-02 586 T= 7065. E= 0.67456570E+03 F= 0.63922656E+03 E0= 0.66811028E+03 EK= 0.57530E+02 SP= -.22E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316261462636E+03 0.78096E+00 -0.15080E-01 7928 0.251E+01 0.250E-01 RMM: 2 -0.316282461761E+03 -0.20999E-01 -0.14358E-01 5119 0.857E-01 0.114E+00 RMM: 3 -0.316272909490E+03 0.95523E-02 -0.14245E-02 5739 0.253E-01 0.212E-01 RMM: 4 -0.316272576613E+03 0.33288E-03 -0.10605E-03 4732 0.697E-02 0.130E-01 RMM: 5 -0.316272491000E+03 0.85613E-04 -0.15104E-04 3881 0.319E-02 0.100E-01 RMM: 6 -0.316272434371E+03 0.56628E-04 -0.43795E-05 3070 0.199E-02 0.516E-02 RMM: 7 -0.316272439134E+03 -0.47627E-05 -0.28136E-05 2618 0.161E-02 587 T= 6980. E= 0.67457121E+03 F= 0.63999655E+03 E0= 0.66886404E+03 EK= 0.56845E+02 SP= -.22E+02 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315572577281E+03 0.69986E+00 -0.15276E-01 7792 0.250E+01 0.273E-01 RMM: 2 -0.315597922824E+03 -0.25346E-01 -0.14626E-01 5052 0.887E-01 0.138E+00 RMM: 3 -0.315584477500E+03 0.13445E-01 -0.15613E-02 5611 0.269E-01 0.271E-01 RMM: 4 -0.315583959322E+03 0.51818E-03 -0.13218E-03 4799 0.784E-02 0.123E-01 RMM: 5 -0.315583887546E+03 0.71776E-04 -0.18551E-04 3915 0.342E-02 0.102E-01 RMM: 6 -0.315583826916E+03 0.60630E-04 -0.46695E-05 3107 0.203E-02 0.546E-02 RMM: 7 -0.315583830956E+03 -0.40401E-05 -0.27242E-05 2594 0.156E-02 588 T= 6904. E= 0.67457851E+03 F= 0.64068516E+03 E0= 0.66953779E+03 EK= 0.56223E+02 SP= -.22E+02 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315066547711E+03 0.51728E+00 -0.14624E-01 7864 0.248E+01 0.284E-01 RMM: 2 -0.315090028176E+03 -0.23480E-01 -0.14096E-01 5094 0.883E-01 0.132E+00 RMM: 3 -0.315077846158E+03 0.12182E-01 -0.15553E-02 5542 0.274E-01 0.260E-01 RMM: 4 -0.315077380116E+03 0.46604E-03 -0.13432E-03 4770 0.764E-02 0.120E-01 RMM: 5 -0.315077335546E+03 0.44570E-04 -0.19363E-04 3923 0.354E-02 0.116E-01 RMM: 6 -0.315077254909E+03 0.80637E-04 -0.59972E-05 3308 0.228E-02 0.508E-02 RMM: 7 -0.315077258605E+03 -0.36966E-05 -0.24597E-05 2568 0.153E-02 589 T= 6848. E= 0.67458629E+03 F= 0.64119173E+03 E0= 0.67002998E+03 EK= 0.55766E+02 SP= -.22E+02 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.314851604500E+03 0.22565E+00 -0.13405E-01 7800 0.246E+01 0.312E-01 RMM: 2 -0.314880541576E+03 -0.28937E-01 -0.13514E-01 5144 0.871E-01 0.163E+00 RMM: 3 -0.314862375880E+03 0.18166E-01 -0.15719E-02 5493 0.281E-01 0.316E-01 RMM: 4 -0.314861679516E+03 0.69636E-03 -0.15795E-03 4789 0.840E-02 0.121E-01 RMM: 5 -0.314861635294E+03 0.44222E-04 -0.22549E-04 3905 0.378E-02 0.115E-01 RMM: 6 -0.314861550871E+03 0.84423E-04 -0.61291E-05 3328 0.228E-02 0.522E-02 RMM: 7 -0.314861553507E+03 -0.26367E-05 -0.24964E-05 2565 0.151E-02 590 T= 6826. E= 0.67459247E+03 F= 0.64140744E+03 E0= 0.67023183E+03 EK= 0.55584E+02 SP= -.22E+02 SK= 0.82E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.315011587475E+03 -0.15004E+00 -0.13412E-01 8032 0.244E+01 0.280E-01 RMM: 2 -0.315035954581E+03 -0.24367E-01 -0.14791E-01 5162 0.870E-01 0.133E+00 RMM: 3 -0.315023335754E+03 0.12619E-01 -0.15778E-02 5506 0.276E-01 0.263E-01 RMM: 4 -0.315022848684E+03 0.48707E-03 -0.14150E-03 4859 0.767E-02 0.112E-01 RMM: 5 -0.315022797927E+03 0.50757E-04 -0.18225E-04 3919 0.341E-02 0.112E-01 RMM: 6 -0.315022721982E+03 0.75945E-04 -0.53100E-05 3202 0.214E-02 0.535E-02 RMM: 7 -0.315022727480E+03 -0.54972E-05 -0.31916E-05 2707 0.171E-02 591 T= 6847. E= 0.67459433E+03 F= 0.64124626E+03 E0= 0.67005673E+03 EK= 0.55762E+02 SP= -.22E+02 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.315573747500E+03 -0.55103E+00 -0.16467E-01 8248 0.244E+01 0.266E-01 RMM: 2 -0.315604086588E+03 -0.30339E-01 -0.19582E-01 5215 0.956E-01 0.138E+00 RMM: 3 -0.315590099335E+03 0.13987E-01 -0.19079E-02 5730 0.278E-01 0.267E-01 RMM: 4 -0.315589469517E+03 0.62982E-03 -0.14622E-03 4873 0.815E-02 0.128E-01 RMM: 5 -0.315589388906E+03 0.80610E-04 -0.19570E-04 3959 0.333E-02 0.102E-01 RMM: 6 -0.315589331959E+03 0.56947E-04 -0.43232E-05 3061 0.193E-02 0.637E-02 RMM: 7 -0.315589341283E+03 -0.93239E-05 -0.32485E-05 2681 0.166E-02 592 T= 6917. E= 0.67459114E+03 F= 0.64067965E+03 E0= 0.66947691E+03 EK= 0.56326E+02 SP= -.22E+02 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.316500131487E+03 -0.91080E+00 -0.21212E-01 9120 0.244E+01 0.237E-01 RMM: 2 -0.316526791294E+03 -0.26660E-01 -0.21129E-01 5408 0.951E-01 0.105E+00 RMM: 3 -0.316517872725E+03 0.89186E-02 -0.17518E-02 5648 0.268E-01 0.220E-01 RMM: 4 -0.316517482724E+03 0.39000E-03 -0.13413E-03 5195 0.717E-02 0.120E-01 RMM: 5 -0.316517395726E+03 0.86997E-04 -0.14644E-04 4170 0.280E-02 0.103E-01 RMM: 6 -0.316517354128E+03 0.41599E-04 -0.30596E-05 2752 0.166E-02 0.761E-02 RMM: 7 -0.316517357866E+03 -0.37386E-05 -0.73158E-05 3506 0.222E-02 593 T= 7028. E= 0.67458301E+03 F= 0.63975163E+03 E0= 0.66853685E+03 EK= 0.57230E+02 SP= -.22E+02 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317677560008E+03 -0.11602E+01 -0.29400E-01 9128 0.246E+01 0.227E-01 RMM: 2 -0.317711360610E+03 -0.33801E-01 -0.26974E-01 5511 0.106E+00 0.110E+00 RMM: 3 -0.317701137481E+03 0.10223E-01 -0.20351E-02 5624 0.280E-01 0.240E-01 RMM: 4 -0.317700670838E+03 0.46664E-03 -0.14415E-03 4905 0.795E-02 0.147E-01 RMM: 5 -0.317700547264E+03 0.12357E-03 -0.19351E-04 4034 0.327E-02 0.103E-01 RMM: 6 -0.317700511070E+03 0.36194E-04 -0.38727E-05 2995 0.180E-02 0.864E-02 RMM: 7 -0.317700515673E+03 -0.46028E-05 -0.73663E-05 3564 0.222E-02 594 T= 7167. E= 0.67457273E+03 F= 0.63856847E+03 E0= 0.66734484E+03 EK= 0.58364E+02 SP= -.22E+02 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318979280243E+03 -0.12788E+01 -0.41529E-01 9128 0.248E+01 0.268E-01 RMM: 2 -0.319019447722E+03 -0.40167E-01 -0.32469E-01 5548 0.113E+00 0.120E+00 RMM: 3 -0.319007391436E+03 0.12056E-01 -0.24771E-02 5699 0.300E-01 0.271E-01 RMM: 4 -0.319006745920E+03 0.64552E-03 -0.17071E-03 4978 0.836E-02 0.146E-01 RMM: 5 -0.319006638417E+03 0.10750E-03 -0.23048E-04 4600 0.322E-02 0.117E-01 RMM: 6 -0.319006603415E+03 0.35003E-04 -0.35421E-05 2886 0.179E-02 0.100E-01 RMM: 7 -0.319006622630E+03 -0.19215E-04 -0.75047E-05 3552 0.221E-02 595 T= 7318. E= 0.67456319E+03 F= 0.63726237E+03 E0= 0.66603260E+03 EK= 0.59592E+02 SP= -.22E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320281307122E+03 -0.12747E+01 -0.57996E-01 9048 0.251E+01 0.290E-01 RMM: 2 -0.320330929234E+03 -0.49622E-01 -0.38068E-01 5755 0.120E+00 0.142E+00 RMM: 3 -0.320314427912E+03 0.16501E-01 -0.27682E-02 5612 0.317E-01 0.286E-01 RMM: 4 -0.320313731559E+03 0.69635E-03 -0.20336E-03 4981 0.906E-02 0.162E-01 RMM: 5 -0.320313619698E+03 0.11186E-03 -0.26807E-04 4329 0.354E-02 0.123E-01 RMM: 6 -0.320313571994E+03 0.47704E-04 -0.46598E-05 3107 0.199E-02 0.989E-02 RMM: 7 -0.320313609226E+03 -0.37232E-04 -0.79128E-05 3630 0.230E-02 0.127E-01 RMM: 8 -0.320313529349E+03 0.79878E-04 -0.15540E-04 3899 0.299E-02 0.603E-02 RMM: 9 -0.320313517146E+03 0.12202E-04 -0.44391E-05 3045 0.178E-02 596 T= 7464. E= 0.67455559E+03 F= 0.63595547E+03 E0= 0.66472314E+03 EK= 0.60786E+02 SP= -.22E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321490089461E+03 -0.11766E+01 -0.79109E-01 8944 0.253E+01 0.269E-01 RMM: 2 -0.321538916776E+03 -0.48827E-01 -0.42427E-01 6195 0.124E+00 0.109E+00 RMM: 3 -0.321527427748E+03 0.11489E-01 -0.25320E-02 5637 0.292E-01 0.236E-01 RMM: 4 -0.321527115534E+03 0.31221E-03 -0.18940E-03 4957 0.887E-02 0.248E-01 RMM: 5 -0.321526736518E+03 0.37902E-03 -0.31474E-04 3971 0.423E-02 0.107E-01 RMM: 6 -0.321526702388E+03 0.34130E-04 -0.75231E-05 3497 0.239E-02 0.854E-02 RMM: 7 -0.321526725009E+03 -0.22622E-04 -0.80594E-05 3733 0.229E-02 0.102E-01 RMM: 8 -0.321526672841E+03 0.52169E-04 -0.79277E-05 3655 0.219E-02 0.435E-02 RMM: 9 -0.321526684920E+03 -0.12080E-04 -0.31051E-05 2727 0.156E-02 597 T= 7594. E= 0.67455015E+03 F= 0.63474230E+03 E0= 0.66350669E+03 EK= 0.61844E+02 SP= -.22E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322544091966E+03 -0.10174E+01 -0.10052E+00 8896 0.255E+01 0.275E-01 RMM: 2 -0.322593826302E+03 -0.49734E-01 -0.42234E-01 6745 0.121E+00 0.116E+00 RMM: 3 -0.322581854444E+03 0.11972E-01 -0.16211E-02 5503 0.264E-01 0.236E-01 RMM: 4 -0.322581492367E+03 0.36208E-03 -0.14124E-03 4890 0.764E-02 0.159E-01 RMM: 5 -0.322581371301E+03 0.12107E-03 -0.19017E-04 4091 0.322E-02 0.110E-01 RMM: 6 -0.322581340076E+03 0.31225E-04 -0.41142E-05 3044 0.189E-02 0.890E-02 RMM: 7 -0.322581386138E+03 -0.46062E-04 -0.11179E-04 3877 0.265E-02 0.117E-01 RMM: 8 -0.322581313407E+03 0.72731E-04 -0.91490E-05 3779 0.241E-02 0.433E-02 RMM: 9 -0.322581312228E+03 0.11789E-05 -0.22502E-05 2579 0.134E-02 598 T= 7699. E= 0.67454568E+03 F= 0.63368768E+03 E0= 0.66244640E+03 EK= 0.62693E+02 SP= -.22E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323395984545E+03 -0.81467E+00 -0.11698E+00 8864 0.257E+01 0.272E-01 RMM: 2 -0.323444651806E+03 -0.48667E-01 -0.42634E-01 6973 0.121E+00 0.105E+00 RMM: 3 -0.323434924954E+03 0.97269E-02 -0.12853E-02 5494 0.247E-01 0.211E-01 RMM: 4 -0.323434809040E+03 0.11591E-03 -0.12727E-03 4846 0.737E-02 0.195E-01 RMM: 5 -0.323434593255E+03 0.21578E-03 -0.20929E-04 3927 0.354E-02 0.100E-01 RMM: 6 -0.323434568193E+03 0.25062E-04 -0.56098E-05 3279 0.214E-02 0.829E-02 RMM: 7 -0.323434622556E+03 -0.54363E-04 -0.86585E-05 3797 0.241E-02 0.114E-01 RMM: 8 -0.323434552393E+03 0.70163E-04 -0.70849E-05 3537 0.221E-02 0.383E-02 RMM: 9 -0.323434554153E+03 -0.17599E-05 -0.19529E-05 2546 0.126E-02 599 T= 7771. E= 0.67454252E+03 F= 0.63283444E+03 E0= 0.66158386E+03 EK= 0.63285E+02 SP= -.22E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324025659186E+03 -0.59111E+00 -0.12276E+00 8880 0.258E+01 0.248E-01 RMM: 2 -0.324070311757E+03 -0.44653E-01 -0.40552E-01 7237 0.118E+00 0.889E-01 RMM: 3 -0.324063688973E+03 0.66228E-02 -0.94707E-03 5478 0.221E-01 0.211E-01 RMM: 4 -0.324063623379E+03 0.65594E-04 -0.10821E-03 4829 0.705E-02 0.192E-01 RMM: 5 -0.324063422008E+03 0.20137E-03 -0.19517E-04 3926 0.350E-02 0.102E-01 RMM: 6 -0.324063393978E+03 0.28030E-04 -0.59713E-05 3327 0.221E-02 0.809E-02 RMM: 7 -0.324063447965E+03 -0.53987E-04 -0.87486E-05 3816 0.240E-02 0.111E-01 RMM: 8 -0.324063377661E+03 0.70304E-04 -0.56813E-05 3319 0.210E-02 0.366E-02 RMM: 9 -0.324063380392E+03 -0.27309E-05 -0.18987E-05 2537 0.124E-02 600 T= 7809. E= 0.67454101E+03 F= 0.63220561E+03 E0= 0.66094113E+03 EK= 0.63594E+02 SP= -.21E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324433020425E+03 -0.36964E+00 -0.11594E+00 8824 0.259E+01 0.272E-01 RMM: 2 -0.324480936822E+03 -0.47916E-01 -0.41225E-01 6722 0.124E+00 0.110E+00 RMM: 3 -0.324471188214E+03 0.97486E-02 -0.15861E-02 5513 0.270E-01 0.212E-01 RMM: 4 -0.324470989203E+03 0.19901E-03 -0.14692E-03 4972 0.783E-02 0.186E-01 RMM: 5 -0.324470796870E+03 0.19233E-03 -0.22295E-04 3993 0.352E-02 0.105E-01 RMM: 6 -0.324470756117E+03 0.40753E-04 -0.61245E-05 3331 0.221E-02 0.758E-02 RMM: 7 -0.324470808349E+03 -0.52232E-04 -0.86426E-05 3789 0.245E-02 0.110E-01 RMM: 8 -0.324470740430E+03 0.67919E-04 -0.59895E-05 3351 0.217E-02 0.379E-02 RMM: 9 -0.324470739870E+03 0.55975E-06 -0.18347E-05 2522 0.124E-02 601 T= 7813. E= 0.67454135E+03 F= 0.63179825E+03 E0= 0.66051676E+03 EK= 0.63622E+02 SP= -.21E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324657006873E+03 -0.18627E+00 -0.96407E-01 8816 0.260E+01 0.258E-01 RMM: 2 -0.324700653243E+03 -0.43646E-01 -0.36570E-01 6809 0.117E+00 0.113E+00 RMM: 3 -0.324690706250E+03 0.99470E-02 -0.13659E-02 5464 0.252E-01 0.237E-01 RMM: 4 -0.324690433962E+03 0.27229E-03 -0.14231E-03 4928 0.783E-02 0.170E-01 RMM: 5 -0.324690272763E+03 0.16120E-03 -0.21575E-04 4066 0.338E-02 0.108E-01 RMM: 6 -0.324690230181E+03 0.42583E-04 -0.68438E-05 3414 0.235E-02 0.774E-02 RMM: 7 -0.324690286382E+03 -0.56201E-04 -0.83385E-05 3760 0.242E-02 0.116E-01 RMM: 8 -0.324690205007E+03 0.81374E-04 -0.64767E-05 3431 0.222E-02 0.386E-02 RMM: 9 -0.324690201707E+03 0.32996E-05 -0.18804E-05 2539 0.125E-02 602 T= 7786. E= 0.67454436E+03 F= 0.63157879E+03 E0= 0.66027756E+03 EK= 0.63406E+02 SP= -.21E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324756475010E+03 -0.66270E-01 -0.74377E-01 8928 0.260E+01 0.279E-01 RMM: 2 -0.324802455882E+03 -0.45981E-01 -0.36484E-01 5958 0.123E+00 0.128E+00 RMM: 3 -0.324789072558E+03 0.13383E-01 -0.21509E-02 5594 0.304E-01 0.237E-01 RMM: 4 -0.324788648423E+03 0.42413E-03 -0.17292E-03 5113 0.849E-02 0.153E-01 RMM: 5 -0.324788534485E+03 0.11394E-03 -0.23124E-04 4451 0.325E-02 0.114E-01 RMM: 6 -0.324788472256E+03 0.62229E-04 -0.53500E-05 3222 0.211E-02 0.725E-02 RMM: 7 -0.324788518957E+03 -0.46701E-04 -0.91595E-05 3792 0.252E-02 0.111E-01 RMM: 8 -0.324788443101E+03 0.75855E-04 -0.72614E-05 3499 0.230E-02 0.386E-02 RMM: 9 -0.324788439533E+03 0.35689E-05 -0.19213E-05 2538 0.127E-02 603 T= 7738. E= 0.67454943E+03 F= 0.63148055E+03 E0= 0.66015897E+03 EK= 0.63013E+02 SP= -.20E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324826682392E+03 -0.38239E-01 -0.49736E-01 8840 0.259E+01 0.270E-01 RMM: 2 -0.324868884905E+03 -0.42203E-01 -0.30910E-01 5889 0.113E+00 0.137E+00 RMM: 3 -0.324853793715E+03 0.15091E-01 -0.19344E-02 5545 0.289E-01 0.266E-01 RMM: 4 -0.324853271489E+03 0.52223E-03 -0.16727E-03 5000 0.840E-02 0.138E-01 RMM: 5 -0.324853171173E+03 0.10032E-03 -0.21490E-04 4416 0.315E-02 0.108E-01 RMM: 6 -0.324853121276E+03 0.49897E-04 -0.48554E-05 3148 0.203E-02 0.774E-02 RMM: 7 -0.324853156722E+03 -0.35445E-04 -0.71428E-05 3545 0.227E-02 0.112E-01 RMM: 8 -0.324853075765E+03 0.80957E-04 -0.92918E-05 3867 0.239E-02 0.411E-02 RMM: 9 -0.324853069456E+03 0.63093E-05 -0.21508E-05 2591 0.129E-02 604 T= 7679. E= 0.67455419E+03 F= 0.63141592E+03 E0= 0.66007447E+03 EK= 0.62534E+02 SP= -.20E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324939765580E+03 -0.86690E-01 -0.32102E-01 8864 0.259E+01 0.244E-01 RMM: 2 -0.324973674992E+03 -0.33909E-01 -0.25962E-01 5692 0.105E+00 0.117E+00 RMM: 3 -0.324962313390E+03 0.11362E-01 -0.17313E-02 5624 0.274E-01 0.225E-01 RMM: 4 -0.324961907272E+03 0.40612E-03 -0.13383E-03 4925 0.758E-02 0.130E-01 RMM: 5 -0.324961811669E+03 0.95602E-04 -0.16832E-04 4409 0.297E-02 0.100E-01 RMM: 6 -0.324961769606E+03 0.42063E-04 -0.32668E-05 2832 0.173E-02 0.718E-02 RMM: 7 -0.324961782593E+03 -0.12987E-04 -0.71688E-05 3477 0.223E-02 605 T= 7619. E= 0.67455522E+03 F= 0.63130721E+03 E0= 0.65994850E+03 EK= 0.62047E+02 SP= -.19E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325122819438E+03 -0.16105E+00 -0.20685E-01 8592 0.258E+01 0.199E-01 RMM: 2 -0.325150795873E+03 -0.27976E-01 -0.22875E-01 5649 0.978E-01 0.977E-01 RMM: 3 -0.325142826521E+03 0.79694E-02 -0.16041E-02 5749 0.250E-01 0.223E-01 RMM: 4 -0.325142354151E+03 0.47237E-03 -0.10275E-03 4884 0.680E-02 0.113E-01 RMM: 5 -0.325142283863E+03 0.70288E-04 -0.11178E-04 4072 0.260E-02 0.902E-02 RMM: 6 -0.325142274534E+03 0.93289E-05 -0.25960E-05 2594 0.155E-02 606 T= 7562. E= 0.67455204E+03 F= 0.63112671E+03 E0= 0.65975446E+03 EK= 0.61581E+02 SP= -.19E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325338866956E+03 -0.19658E+00 -0.16440E-01 8232 0.257E+01 0.330E-01 RMM: 2 -0.325374267578E+03 -0.35401E-01 -0.19437E-01 5065 0.969E-01 0.163E+00 RMM: 3 -0.325354859621E+03 0.19408E-01 -0.20841E-02 5453 0.321E-01 0.335E-01 RMM: 4 -0.325354026029E+03 0.83359E-03 -0.20412E-03 5080 0.902E-02 0.113E-01 RMM: 5 -0.325353968542E+03 0.57487E-04 -0.23314E-04 4163 0.338E-02 0.993E-02 RMM: 6 -0.325353923642E+03 0.44900E-04 -0.41223E-05 3008 0.188E-02 0.742E-02 RMM: 7 -0.325353964195E+03 -0.40553E-04 -0.62048E-05 3422 0.212E-02 0.115E-01 RMM: 8 -0.325353892708E+03 0.71487E-04 -0.10565E-04 3891 0.234E-02 0.615E-02 RMM: 9 -0.325353872259E+03 0.20449E-04 -0.31277E-05 2841 0.159E-02 0.296E-02 RMM: 10 -0.325353876866E+03 -0.46078E-05 -0.13173E-05 2489 0.114E-02 607 T= 7503. E= 0.67454618E+03 F= 0.63091511E+03 E0= 0.65953410E+03 EK= 0.61102E+02 SP= -.18E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325493525959E+03 -0.13965E+00 -0.15220E-01 8360 0.257E+01 0.336E-01 RMM: 2 -0.325523644642E+03 -0.30119E-01 -0.17272E-01 5068 0.936E-01 0.149E+00 RMM: 3 -0.325507473204E+03 0.16171E-01 -0.18514E-02 5489 0.299E-01 0.330E-01 RMM: 4 -0.325506791209E+03 0.68199E-03 -0.20954E-03 5040 0.991E-02 0.173E-01 RMM: 5 -0.325506678339E+03 0.11287E-03 -0.33391E-04 3940 0.452E-02 0.142E-01 RMM: 6 -0.325506551688E+03 0.12665E-03 -0.99966E-05 3711 0.283E-02 0.482E-02 RMM: 7 -0.325506574575E+03 -0.22886E-04 -0.39914E-05 2982 0.180E-02 0.785E-02 RMM: 8 -0.325506538198E+03 0.36376E-04 -0.33253E-05 2657 0.178E-02 0.329E-02 RMM: 9 -0.325506538372E+03 -0.17352E-06 -0.17418E-05 2496 0.121E-02 608 T= 7432. E= 0.67453963E+03 F= 0.63076245E+03 E0= 0.65937773E+03 EK= 0.60525E+02 SP= -.18E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325488743702E+03 0.17794E-01 -0.15789E-01 8784 0.255E+01 0.240E-01 RMM: 2 -0.325511472316E+03 -0.22729E-01 -0.16634E-01 5201 0.897E-01 0.107E+00 RMM: 3 -0.325502457104E+03 0.90152E-02 -0.15155E-02 5855 0.247E-01 0.205E-01 RMM: 4 -0.325502112811E+03 0.34429E-03 -0.10407E-03 4753 0.705E-02 0.141E-01 RMM: 5 -0.325501990099E+03 0.12271E-03 -0.15920E-04 3902 0.334E-02 0.820E-02 RMM: 6 -0.325501956335E+03 0.33765E-04 -0.36915E-05 2940 0.181E-02 0.529E-02 RMM: 7 -0.325501962104E+03 -0.57693E-05 -0.31479E-05 2616 0.170E-02 609 T= 7338. E= 0.67453507E+03 F= 0.63076703E+03 E0= 0.65938197E+03 EK= 0.59760E+02 SP= -.17E+02 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325254955985E+03 0.24700E+00 -0.16962E-01 8888 0.253E+01 0.227E-01 RMM: 2 -0.325278686758E+03 -0.23731E-01 -0.18759E-01 5143 0.945E-01 0.100E+00 RMM: 3 -0.325270777137E+03 0.79096E-02 -0.17358E-02 6015 0.258E-01 0.222E-01 RMM: 4 -0.325270292881E+03 0.48426E-03 -0.10109E-03 4846 0.693E-02 0.114E-01 RMM: 5 -0.325270211754E+03 0.81127E-04 -0.13888E-04 4171 0.296E-02 0.815E-02 RMM: 6 -0.325270195143E+03 0.16611E-04 -0.31130E-05 2648 0.167E-02 610 T= 7214. E= 0.67453413E+03 F= 0.63099879E+03 E0= 0.65961515E+03 EK= 0.58747E+02 SP= -.16E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324775734151E+03 0.49448E+00 -0.18706E-01 8768 0.250E+01 0.310E-01 RMM: 2 -0.324814497228E+03 -0.38763E-01 -0.21483E-01 5141 0.999E-01 0.168E+00 RMM: 3 -0.324793458084E+03 0.21039E-01 -0.21964E-02 5483 0.319E-01 0.276E-01 RMM: 4 -0.324792884143E+03 0.57394E-03 -0.20311E-03 5333 0.842E-02 0.122E-01 RMM: 5 -0.324792787057E+03 0.97086E-04 -0.17613E-04 4110 0.335E-02 0.957E-02 RMM: 6 -0.324792758567E+03 0.28491E-04 -0.36985E-05 2846 0.179E-02 0.823E-02 RMM: 7 -0.324792795876E+03 -0.37309E-04 -0.10159E-04 3855 0.262E-02 0.116E-01 RMM: 8 -0.324792714411E+03 0.81465E-04 -0.13539E-04 3894 0.257E-02 0.469E-02 RMM: 9 -0.324792707553E+03 0.68580E-05 -0.26111E-05 2645 0.145E-02 611 T= 7058. E= 0.67453665E+03 F= 0.63147628E+03 E0= 0.66009478E+03 EK= 0.57477E+02 SP= -.16E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324087077854E+03 0.70564E+00 -0.19067E-01 8816 0.246E+01 0.330E-01 RMM: 2 -0.324123836365E+03 -0.36759E-01 -0.21813E-01 5000 0.988E-01 0.159E+00 RMM: 3 -0.324104647831E+03 0.19189E-01 -0.21262E-02 5490 0.316E-01 0.306E-01 RMM: 4 -0.324104112418E+03 0.53541E-03 -0.23249E-03 5236 0.104E-01 0.196E-01 RMM: 5 -0.324103986351E+03 0.12607E-03 -0.33532E-04 3934 0.427E-02 0.150E-01 RMM: 6 -0.324103839635E+03 0.14672E-03 -0.93123E-05 3646 0.269E-02 0.474E-02 RMM: 7 -0.324103858743E+03 -0.19109E-04 -0.40196E-05 3024 0.176E-02 612 T= 6876. E= 0.67454167E+03 F= 0.63216513E+03 E0= 0.66078390E+03 EK= 0.55994E+02 SP= -.15E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323260674463E+03 0.84317E+00 -0.19303E-01 8896 0.241E+01 0.228E-01 RMM: 2 -0.323290495467E+03 -0.29821E-01 -0.20182E-01 5309 0.922E-01 0.125E+00 RMM: 3 -0.323277515717E+03 0.12980E-01 -0.17076E-02 5636 0.267E-01 0.197E-01 RMM: 4 -0.323277166110E+03 0.34961E-03 -0.12223E-03 4997 0.715E-02 0.115E-01 RMM: 5 -0.323277091905E+03 0.74205E-04 -0.14398E-04 4259 0.290E-02 0.880E-02 RMM: 6 -0.323277059625E+03 0.32280E-04 -0.30875E-05 2741 0.167E-02 0.652E-02 RMM: 7 -0.323277080086E+03 -0.20461E-04 -0.92405E-05 3811 0.242E-02 0.951E-02 RMM: 8 -0.323277024384E+03 0.55702E-04 -0.76169E-05 3636 0.210E-02 0.350E-02 RMM: 9 -0.323277021060E+03 0.33241E-05 -0.16058E-05 2522 0.113E-02 613 T= 6678. E= 0.67454898E+03 F= 0.63299197E+03 E0= 0.66161027E+03 EK= 0.54382E+02 SP= -.14E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322395076755E+03 0.88195E+00 -0.19869E-01 8800 0.236E+01 0.229E-01 RMM: 2 -0.322422445745E+03 -0.27369E-01 -0.22154E-01 5165 0.981E-01 0.100E+00 RMM: 3 -0.322413731685E+03 0.87141E-02 -0.19226E-02 5909 0.271E-01 0.187E-01 RMM: 4 -0.322413371363E+03 0.36032E-03 -0.11662E-03 4857 0.757E-02 0.158E-01 RMM: 5 -0.322413212390E+03 0.15897E-03 -0.18009E-04 3895 0.330E-02 0.927E-02 RMM: 6 -0.322413160794E+03 0.51596E-04 -0.47496E-05 3149 0.204E-02 0.469E-02 RMM: 7 -0.322413161308E+03 -0.51373E-06 -0.27110E-05 2593 0.160E-02 614 T= 6477. E= 0.67455596E+03 F= 0.63385583E+03 E0= 0.66247351E+03 EK= 0.52749E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321599562058E+03 0.81360E+00 -0.18644E-01 8840 0.231E+01 0.181E-01 RMM: 2 -0.321623216262E+03 -0.23654E-01 -0.20743E-01 5503 0.931E-01 0.759E-01 RMM: 3 -0.321617229452E+03 0.59868E-02 -0.15833E-02 6052 0.241E-01 0.178E-01 RMM: 4 -0.321616832163E+03 0.39729E-03 -0.79574E-04 4777 0.630E-02 0.113E-01 RMM: 5 -0.321616752743E+03 0.79421E-04 -0.10593E-04 3701 0.280E-02 0.761E-02 RMM: 6 -0.321616741939E+03 0.10803E-04 -0.29253E-05 2600 0.161E-02 615 T= 6288. E= 0.67456185E+03 F= 0.63465225E+03 E0= 0.66327186E+03 EK= 0.51206E+02 SP= -.12E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320959139241E+03 0.65761E+00 -0.19375E-01 8608 0.227E+01 0.271E-01 RMM: 2 -0.320992221569E+03 -0.33082E-01 -0.22673E-01 5282 0.988E-01 0.133E+00 RMM: 3 -0.320978029226E+03 0.14192E-01 -0.19429E-02 5570 0.294E-01 0.256E-01 RMM: 4 -0.320977481088E+03 0.54814E-03 -0.16107E-03 5026 0.819E-02 0.122E-01 RMM: 5 -0.320977403373E+03 0.77716E-04 -0.19447E-04 4204 0.338E-02 0.861E-02 RMM: 6 -0.320977368104E+03 0.35269E-04 -0.38228E-05 2955 0.184E-02 0.599E-02 RMM: 7 -0.320977386062E+03 -0.17958E-04 -0.35339E-05 2759 0.178E-02 616 T= 6121. E= 0.67456537E+03 F= 0.63529160E+03 E0= 0.66391527E+03 EK= 0.49846E+02 SP= -.12E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320537683556E+03 0.43968E+00 -0.18292E-01 8832 0.224E+01 0.306E-01 RMM: 2 -0.320570103845E+03 -0.32420E-01 -0.20541E-01 5173 0.938E-01 0.143E+00 RMM: 3 -0.320554294237E+03 0.15810E-01 -0.18301E-02 5525 0.298E-01 0.307E-01 RMM: 4 -0.320553605111E+03 0.68913E-03 -0.17995E-03 5012 0.890E-02 0.120E-01 RMM: 5 -0.320553598366E+03 0.67449E-05 -0.24713E-04 3931 0.371E-02 0.131E-01 RMM: 6 -0.320553487903E+03 0.11046E-03 -0.67348E-05 3394 0.239E-02 0.447E-02 RMM: 7 -0.320553493184E+03 -0.52803E-05 -0.22825E-05 2563 0.141E-02 617 T= 5984. E= 0.67456674E+03 F= 0.63571550E+03 E0= 0.66434692E+03 EK= 0.48731E+02 SP= -.11E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320349946417E+03 0.20354E+00 -0.18363E-01 8864 0.222E+01 0.278E-01 RMM: 2 -0.320380469063E+03 -0.30523E-01 -0.19481E-01 5386 0.904E-01 0.137E+00 RMM: 3 -0.320366094019E+03 0.14375E-01 -0.14974E-02 5488 0.270E-01 0.289E-01 RMM: 4 -0.320365493761E+03 0.60026E-03 -0.15249E-03 4903 0.797E-02 0.106E-01 RMM: 5 -0.320365459516E+03 0.34244E-04 -0.19743E-04 3932 0.348E-02 0.101E-01 RMM: 6 -0.320365396064E+03 0.63453E-04 -0.49905E-05 3168 0.207E-02 0.528E-02 RMM: 7 -0.320365408899E+03 -0.12836E-04 -0.29849E-05 2621 0.164E-02 618 T= 5880. E= 0.67456545E+03 F= 0.63590358E+03 E0= 0.66454394E+03 EK= 0.47881E+02 SP= -.10E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320382002041E+03 -0.16606E-01 -0.18567E-01 8928 0.221E+01 0.213E-01 RMM: 2 -0.320404830800E+03 -0.22829E-01 -0.18413E-01 5790 0.863E-01 0.929E-01 RMM: 3 -0.320397500606E+03 0.73302E-02 -0.10808E-02 5637 0.223E-01 0.192E-01 RMM: 4 -0.320397245121E+03 0.25549E-03 -0.91385E-04 4796 0.637E-02 0.121E-01 RMM: 5 -0.320397169087E+03 0.76034E-04 -0.13119E-04 3867 0.296E-02 0.835E-02 RMM: 6 -0.320397131601E+03 0.37486E-04 -0.33115E-05 2890 0.176E-02 0.467E-02 RMM: 7 -0.320397141993E+03 -0.10392E-04 -0.26076E-05 2571 0.152E-02 619 T= 5806. E= 0.67456161E+03 F= 0.63587185E+03 E0= 0.66452167E+03 EK= 0.47280E+02 SP= -.95E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320584905094E+03 -0.18777E+00 -0.19178E-01 8936 0.220E+01 0.254E-01 RMM: 2 -0.320611720952E+03 -0.26816E-01 -0.19568E-01 5542 0.895E-01 0.114E+00 RMM: 3 -0.320601216851E+03 0.10504E-01 -0.13600E-02 5665 0.247E-01 0.246E-01 RMM: 4 -0.320600731893E+03 0.48496E-03 -0.12070E-03 4807 0.726E-02 0.111E-01 RMM: 5 -0.320600691323E+03 0.40570E-04 -0.16987E-04 3950 0.320E-02 0.102E-01 RMM: 6 -0.320600629509E+03 0.61814E-04 -0.43344E-05 3079 0.196E-02 0.511E-02 RMM: 7 -0.320600644212E+03 -0.14703E-04 -0.28510E-05 2616 0.156E-02 620 T= 5757. E= 0.67455643E+03 F= 0.63566835E+03 E0= 0.66432536E+03 EK= 0.46879E+02 SP= -.89E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320888255066E+03 -0.28763E+00 -0.19449E-01 8944 0.221E+01 0.214E-01 RMM: 2 -0.320912172057E+03 -0.23917E-01 -0.19514E-01 5798 0.884E-01 0.936E-01 RMM: 3 -0.320904743592E+03 0.74285E-02 -0.11140E-02 5705 0.221E-01 0.192E-01 RMM: 4 -0.320904472247E+03 0.27134E-03 -0.90635E-04 4857 0.627E-02 0.122E-01 RMM: 5 -0.320904389401E+03 0.82846E-04 -0.12461E-04 3856 0.281E-02 0.838E-02 RMM: 6 -0.320904356022E+03 0.33379E-04 -0.32845E-05 2908 0.173E-02 0.534E-02 RMM: 7 -0.320904367745E+03 -0.11723E-04 -0.37971E-05 2701 0.172E-02 621 T= 5723. E= 0.67454997E+03 F= 0.63536462E+03 E0= 0.66402582E+03 EK= 0.46606E+02 SP= -.82E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321204236997E+03 -0.29988E+00 -0.20065E-01 9032 0.221E+01 0.221E-01 RMM: 2 -0.321230756869E+03 -0.26520E-01 -0.20716E-01 5587 0.907E-01 0.106E+00 RMM: 3 -0.321221603221E+03 0.91536E-02 -0.13990E-02 5867 0.232E-01 0.198E-01 RMM: 4 -0.321221212806E+03 0.39042E-03 -0.98057E-04 4788 0.675E-02 0.122E-01 RMM: 5 -0.321221129974E+03 0.82832E-04 -0.14077E-04 3909 0.288E-02 0.860E-02 RMM: 6 -0.321221096953E+03 0.33021E-04 -0.31367E-05 2820 0.171E-02 0.595E-02 RMM: 7 -0.321221105528E+03 -0.85751E-05 -0.35960E-05 2723 0.170E-02 622 T= 5695. E= 0.67454351E+03 F= 0.63504788E+03 E0= 0.66370994E+03 EK= 0.46376E+02 SP= -.76E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321447651003E+03 -0.22655E+00 -0.20703E-01 9072 0.222E+01 0.216E-01 RMM: 2 -0.321473383490E+03 -0.25732E-01 -0.21043E-01 5686 0.908E-01 0.962E-01 RMM: 3 -0.321465192241E+03 0.81912E-02 -0.14094E-02 5911 0.229E-01 0.201E-01 RMM: 4 -0.321464788238E+03 0.40400E-03 -0.95849E-04 4827 0.649E-02 0.120E-01 RMM: 5 -0.321464703817E+03 0.84420E-04 -0.13014E-04 3877 0.275E-02 0.830E-02 RMM: 6 -0.321464677603E+03 0.26214E-04 -0.28424E-05 2744 0.162E-02 0.630E-02 RMM: 7 -0.321464683835E+03 -0.62320E-05 -0.41534E-05 2880 0.175E-02 623 T= 5662. E= 0.67453884E+03 F= 0.63480431E+03 E0= 0.66346472E+03 EK= 0.46104E+02 SP= -.70E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321554260602E+03 -0.89583E-01 -0.22263E-01 9088 0.222E+01 0.213E-01 RMM: 2 -0.321582223181E+03 -0.27963E-01 -0.22113E-01 5611 0.939E-01 0.106E+00 RMM: 3 -0.321572958425E+03 0.92648E-02 -0.15502E-02 5849 0.237E-01 0.191E-01 RMM: 4 -0.321572562287E+03 0.39614E-03 -0.99237E-04 4846 0.668E-02 0.128E-01 RMM: 5 -0.321572468983E+03 0.93304E-04 -0.13716E-04 3906 0.285E-02 0.840E-02 RMM: 6 -0.321572445322E+03 0.23662E-04 -0.30256E-05 2801 0.165E-02 0.680E-02 RMM: 7 -0.321572452830E+03 -0.75084E-05 -0.50709E-05 3098 0.187E-02 624 T= 5616. E= 0.67453668E+03 F= 0.63469654E+03 E0= 0.66335421E+03 EK= 0.45731E+02 SP= -.65E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321499828999E+03 0.72616E-01 -0.23141E-01 9080 0.222E+01 0.223E-01 RMM: 2 -0.321527137268E+03 -0.27308E-01 -0.21989E-01 5555 0.942E-01 0.101E+00 RMM: 3 -0.321518538678E+03 0.85986E-02 -0.15358E-02 5880 0.241E-01 0.213E-01 RMM: 4 -0.321518090127E+03 0.44855E-03 -0.10221E-03 4814 0.676E-02 0.120E-01 RMM: 5 -0.321518010885E+03 0.79242E-04 -0.14157E-04 3973 0.286E-02 0.859E-02 RMM: 6 -0.321517983649E+03 0.27235E-04 -0.31696E-05 2861 0.169E-02 0.657E-02 RMM: 7 -0.321517991908E+03 -0.82587E-05 -0.52858E-05 3168 0.190E-02 625 T= 5554. E= 0.67453723E+03 F= 0.63475100E+03 E0= 0.66340589E+03 EK= 0.45231E+02 SP= -.59E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321297047109E+03 0.22094E+00 -0.24328E-01 9040 0.221E+01 0.204E-01 RMM: 2 -0.321323078223E+03 -0.26031E-01 -0.20953E-01 5703 0.916E-01 0.981E-01 RMM: 3 -0.321315150582E+03 0.79276E-02 -0.12927E-02 5753 0.227E-01 0.199E-01 RMM: 4 -0.321314793438E+03 0.35714E-03 -0.93724E-04 4838 0.648E-02 0.117E-01 RMM: 5 -0.321314715499E+03 0.77939E-04 -0.12927E-04 3887 0.279E-02 0.816E-02 RMM: 6 -0.321314692240E+03 0.23259E-04 -0.29489E-05 2771 0.163E-02 0.653E-02 RMM: 7 -0.321314705044E+03 -0.12803E-04 -0.55943E-05 3258 0.192E-02 626 T= 5479. E= 0.67454016E+03 F= 0.63495428E+03 E0= 0.66360812E+03 EK= 0.44621E+02 SP= -.55E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320991263775E+03 0.32343E+00 -0.25295E-01 9032 0.220E+01 0.214E-01 RMM: 2 -0.321016668415E+03 -0.25405E-01 -0.20427E-01 5618 0.915E-01 0.965E-01 RMM: 3 -0.321008997354E+03 0.76711E-02 -0.13929E-02 5768 0.233E-01 0.203E-01 RMM: 4 -0.321008604559E+03 0.39280E-03 -0.94527E-04 4871 0.642E-02 0.107E-01 RMM: 5 -0.321008543180E+03 0.61379E-04 -0.13081E-04 3916 0.277E-02 0.848E-02 RMM: 6 -0.321008510866E+03 0.32314E-04 -0.34469E-05 2927 0.176E-02 0.574E-02 RMM: 7 -0.321008524781E+03 -0.13915E-04 -0.55303E-05 3257 0.197E-02 627 T= 5397. E= 0.67454436E+03 F= 0.63526046E+03 E0= 0.66391487E+03 EK= 0.43948E+02 SP= -.50E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320648330674E+03 0.36018E+00 -0.25403E-01 8976 0.219E+01 0.195E-01 RMM: 2 -0.320672444168E+03 -0.24113E-01 -0.19955E-01 5449 0.919E-01 0.892E-01 RMM: 3 -0.320665894704E+03 0.65495E-02 -0.15013E-02 5916 0.230E-01 0.185E-01 RMM: 4 -0.320665472935E+03 0.42177E-03 -0.89132E-04 4754 0.652E-02 0.110E-01 RMM: 5 -0.320665403073E+03 0.69863E-04 -0.13387E-04 3889 0.289E-02 0.749E-02 RMM: 6 -0.320665379140E+03 0.23932E-04 -0.31451E-05 2834 0.166E-02 0.581E-02 RMM: 7 -0.320665397031E+03 -0.17891E-04 -0.53801E-05 3239 0.195E-02 628 T= 5315. E= 0.67454922E+03 F= 0.63560359E+03 E0= 0.66426065E+03 EK= 0.43279E+02 SP= -.46E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320346989151E+03 0.31839E+00 -0.23580E-01 8952 0.217E+01 0.206E-01 RMM: 2 -0.320369263707E+03 -0.22275E-01 -0.17707E-01 5554 0.861E-01 0.928E-01 RMM: 3 -0.320362291910E+03 0.69718E-02 -0.13263E-02 5734 0.226E-01 0.190E-01 RMM: 4 -0.320361927660E+03 0.36425E-03 -0.90530E-04 4871 0.619E-02 0.101E-01 RMM: 5 -0.320361876308E+03 0.51352E-04 -0.12531E-04 3858 0.274E-02 0.843E-02 RMM: 6 -0.320361839508E+03 0.36800E-04 -0.36805E-05 2966 0.183E-02 0.503E-02 RMM: 7 -0.320361857732E+03 -0.18224E-04 -0.49781E-05 3152 0.194E-02 629 T= 5242. E= 0.67455430E+03 F= 0.63590713E+03 E0= 0.66456759E+03 EK= 0.42691E+02 SP= -.43E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320164667432E+03 0.19717E+00 -0.21071E-01 8968 0.216E+01 0.195E-01 RMM: 2 -0.320185892667E+03 -0.21225E-01 -0.16925E-01 5198 0.874E-01 0.898E-01 RMM: 3 -0.320179396152E+03 0.64965E-02 -0.14386E-02 5863 0.231E-01 0.198E-01 RMM: 4 -0.320178965586E+03 0.43057E-03 -0.90591E-04 4738 0.659E-02 0.978E-02 RMM: 5 -0.320178910568E+03 0.55017E-04 -0.12801E-04 3893 0.283E-02 0.704E-02 RMM: 6 -0.320178889968E+03 0.20601E-04 -0.30592E-05 2815 0.165E-02 0.553E-02 RMM: 7 -0.320178906531E+03 -0.16563E-04 -0.48788E-05 3116 0.195E-02 630 T= 5190. E= 0.67455905E+03 F= 0.63609008E+03 E0= 0.66475395E+03 EK= 0.42266E+02 SP= -.40E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320180180416E+03 -0.12904E-02 -0.17522E-01 8912 0.215E+01 0.206E-01 RMM: 2 -0.320200036666E+03 -0.19856E-01 -0.14355E-01 5346 0.807E-01 0.994E-01 RMM: 3 -0.320192496751E+03 0.75399E-02 -0.11947E-02 5623 0.222E-01 0.202E-01 RMM: 4 -0.320192152848E+03 0.34390E-03 -0.89748E-04 4902 0.616E-02 0.925E-02 RMM: 5 -0.320192115836E+03 0.37011E-04 -0.11378E-04 3760 0.269E-02 0.811E-02 RMM: 6 -0.320192082846E+03 0.32991E-04 -0.31808E-05 2833 0.173E-02 0.499E-02 RMM: 7 -0.320192100990E+03 -0.18144E-04 -0.31029E-05 2651 0.164E-02 631 T= 5167. E= 0.67456227E+03 F= 0.63607689E+03 E0= 0.66474218E+03 EK= 0.42077E+02 SP= -.37E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320442149718E+03 -0.25007E+00 -0.14803E-01 8720 0.215E+01 0.194E-01 RMM: 2 -0.320460166553E+03 -0.18017E-01 -0.13445E-01 5291 0.791E-01 0.920E-01 RMM: 3 -0.320453765774E+03 0.64008E-02 -0.11809E-02 5653 0.215E-01 0.200E-01 RMM: 4 -0.320453398990E+03 0.36678E-03 -0.82268E-04 4806 0.610E-02 0.865E-02 RMM: 5 -0.320453362772E+03 0.36218E-04 -0.10411E-04 3799 0.257E-02 0.675E-02 RMM: 6 -0.320453342373E+03 0.20399E-04 -0.24662E-05 2592 0.152E-02 0.498E-02 RMM: 7 -0.320453354924E+03 -0.12552E-04 -0.28640E-05 2624 0.159E-02 632 T= 5179. E= 0.67456236E+03 F= 0.63581563E+03 E0= 0.66448102E+03 EK= 0.42174E+02 SP= -.35E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320960691239E+03 -0.50735E+00 -0.12311E-01 8472 0.216E+01 0.176E-01 RMM: 2 -0.320976176468E+03 -0.15485E-01 -0.11494E-01 5288 0.728E-01 0.860E-01 RMM: 3 -0.320970490865E+03 0.56856E-02 -0.10523E-02 5638 0.198E-01 0.176E-01 RMM: 4 -0.320970189273E+03 0.30159E-03 -0.69533E-04 4805 0.555E-02 0.855E-02 RMM: 5 -0.320970153352E+03 0.35921E-04 -0.89458E-05 3632 0.251E-02 0.710E-02 RMM: 6 -0.320970129240E+03 0.24112E-04 -0.25329E-05 2595 0.156E-02 0.452E-02 RMM: 7 -0.320970136887E+03 -0.76471E-05 -0.22068E-05 2570 0.138E-02 633 T= 5227. E= 0.67455880E+03 F= 0.63529885E+03 E0= 0.66396144E+03 EK= 0.42563E+02 SP= -.33E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321688218399E+03 -0.71809E+00 -0.11379E-01 8272 0.217E+01 0.170E-01 RMM: 2 -0.321702708850E+03 -0.14490E-01 -0.11327E-01 5070 0.728E-01 0.792E-01 RMM: 3 -0.321697713883E+03 0.49950E-02 -0.11313E-02 5730 0.199E-01 0.165E-01 RMM: 4 -0.321697409557E+03 0.30433E-03 -0.67115E-04 4817 0.543E-02 0.825E-02 RMM: 5 -0.321697369148E+03 0.40410E-04 -0.83218E-05 3583 0.251E-02 0.646E-02 RMM: 6 -0.321697349743E+03 0.19405E-04 -0.23250E-05 2556 0.147E-02 634 T= 5305. E= 0.67455256E+03 F= 0.63457164E+03 E0= 0.66322948E+03 EK= 0.43197E+02 SP= -.32E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322543423038E+03 -0.84605E+00 -0.11046E-01 8104 0.219E+01 0.202E-01 RMM: 2 -0.322561033043E+03 -0.17610E-01 -0.10805E-01 4984 0.727E-01 0.108E+00 RMM: 3 -0.322552451147E+03 0.85819E-02 -0.11252E-02 5539 0.216E-01 0.207E-01 RMM: 4 -0.322552093040E+03 0.35811E-03 -0.85879E-04 4769 0.618E-02 0.908E-02 RMM: 5 -0.322552046935E+03 0.46105E-04 -0.10528E-04 3920 0.259E-02 0.719E-02 RMM: 6 -0.322552030498E+03 0.16437E-04 -0.23621E-05 2554 0.144E-02 635 T= 5402. E= 0.67454573E+03 F= 0.63371696E+03 E0= 0.66236811E+03 EK= 0.43995E+02 SP= -.32E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323436517722E+03 -0.88447E+00 -0.11235E-01 8312 0.222E+01 0.307E-01 RMM: 2 -0.323465633710E+03 -0.29116E-01 -0.11342E-01 5018 0.778E-01 0.170E+00 RMM: 3 -0.323445586750E+03 0.20047E-01 -0.15200E-02 5385 0.284E-01 0.335E-01 RMM: 4 -0.323444781499E+03 0.80525E-03 -0.17081E-03 4909 0.843E-02 0.944E-02 RMM: 5 -0.323444737221E+03 0.44278E-04 -0.18969E-04 4029 0.315E-02 0.862E-02 RMM: 6 -0.323444702849E+03 0.34373E-04 -0.29334E-05 2655 0.166E-02 0.620E-02 RMM: 7 -0.323444713264E+03 -0.10415E-04 -0.28642E-05 2607 0.160E-02 636 T= 5509. E= 0.67454050E+03 F= 0.63282428E+03 E0= 0.66146806E+03 EK= 0.44866E+02 SP= -.31E+01 SK= 0.46E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.324298896128E+03 -0.85419E+00 -0.11901E-01 8176 0.224E+01 0.283E-01 RMM: 2 -0.324325033526E+03 -0.26137E-01 -0.12956E-01 4925 0.807E-01 0.148E+00 RMM: 3 -0.324309534815E+03 0.15499E-01 -0.16007E-02 5421 0.278E-01 0.296E-01 RMM: 4 -0.324308973904E+03 0.56091E-03 -0.17353E-03 4953 0.863E-02 0.132E-01 RMM: 5 -0.324308942833E+03 0.31071E-04 -0.25928E-04 3906 0.391E-02 0.131E-01 RMM: 6 -0.324308832941E+03 0.10989E-03 -0.81573E-05 3575 0.262E-02 0.416E-02 RMM: 7 -0.324308837172E+03 -0.42307E-05 -0.20362E-05 2550 0.135E-02 637 T= 5617. E= 0.67453785E+03 F= 0.63196015E+03 E0= 0.66059693E+03 EK= 0.45743E+02 SP= -.32E+01 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325101909465E+03 -0.79308E+00 -0.11789E-01 8472 0.226E+01 0.220E-01 RMM: 2 -0.325121464905E+03 -0.19555E-01 -0.11836E-01 5127 0.742E-01 0.116E+00 RMM: 3 -0.325111840910E+03 0.96240E-02 -0.12723E-02 5544 0.228E-01 0.221E-01 RMM: 4 -0.325111443959E+03 0.39695E-03 -0.10120E-03 4877 0.643E-02 0.968E-02 RMM: 5 -0.325111379044E+03 0.64915E-04 -0.12897E-04 3867 0.289E-02 0.731E-02 RMM: 6 -0.325111350920E+03 0.28124E-04 -0.27671E-05 2673 0.155E-02 0.558E-02 RMM: 7 -0.325111341184E+03 0.97357E-05 -0.35885E-05 2658 0.170E-02 638 T= 5721. E= 0.67453705E+03 F= 0.63115765E+03 E0= 0.65978662E+03 EK= 0.46591E+02 SP= -.32E+01 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325841256270E+03 -0.72991E+00 -0.11725E-01 8592 0.227E+01 0.163E-01 RMM: 2 -0.325855334281E+03 -0.14078E-01 -0.11104E-01 5162 0.709E-01 0.774E-01 RMM: 3 -0.325850637893E+03 0.46964E-02 -0.11029E-02 5940 0.194E-01 0.146E-01 RMM: 4 -0.325850375683E+03 0.26221E-03 -0.60584E-04 4668 0.515E-02 0.898E-02 RMM: 5 -0.325850319974E+03 0.55709E-04 -0.78738E-05 3571 0.237E-02 0.627E-02 RMM: 6 -0.325850304946E+03 0.15028E-04 -0.23764E-05 2566 0.145E-02 639 T= 5821. E= 0.67453715E+03 F= 0.63041868E+03 E0= 0.65904175E+03 EK= 0.47403E+02 SP= -.33E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326534717387E+03 -0.68440E+00 -0.12654E-01 8408 0.228E+01 0.226E-01 RMM: 2 -0.326557205710E+03 -0.22488E-01 -0.13520E-01 5055 0.791E-01 0.122E+00 RMM: 3 -0.326546159159E+03 0.11047E-01 -0.14240E-02 5601 0.236E-01 0.236E-01 RMM: 4 -0.326545649705E+03 0.50945E-03 -0.11336E-03 4813 0.701E-02 0.854E-02 RMM: 5 -0.326545612540E+03 0.37165E-04 -0.14688E-04 4140 0.277E-02 0.739E-02 RMM: 6 -0.326545583214E+03 0.29326E-04 -0.24418E-05 2587 0.147E-02 0.501E-02 RMM: 7 -0.326545587207E+03 -0.39930E-05 -0.22689E-05 2564 0.143E-02 640 T= 5918. E= 0.67453812E+03 F= 0.62972340E+03 E0= 0.65834118E+03 EK= 0.48197E+02 SP= -.34E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327218591442E+03 -0.67301E+00 -0.12451E-01 8392 0.229E+01 0.254E-01 RMM: 2 -0.327242136315E+03 -0.23545E-01 -0.13098E-01 5041 0.799E-01 0.133E+00 RMM: 3 -0.327229570708E+03 0.12566E-01 -0.14648E-02 5587 0.246E-01 0.261E-01 RMM: 4 -0.327229011298E+03 0.55941E-03 -0.13357E-03 4757 0.779E-02 0.104E-01 RMM: 5 -0.327229022738E+03 -0.11440E-04 -0.20407E-04 3907 0.344E-02 0.116E-01 RMM: 6 -0.327228935100E+03 0.87638E-04 -0.53967E-05 3255 0.215E-02 0.366E-02 RMM: 7 -0.327228937149E+03 -0.20499E-05 -0.16894E-05 2519 0.125E-02 641 T= 6017. E= 0.67453909E+03 F= 0.62904005E+03 E0= 0.65765379E+03 EK= 0.49001E+02 SP= -.35E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327917921570E+03 -0.68899E+00 -0.13639E-01 8248 0.230E+01 0.221E-01 RMM: 2 -0.327941838560E+03 -0.23917E-01 -0.16180E-01 4986 0.878E-01 0.116E+00 RMM: 3 -0.327931811931E+03 0.10027E-01 -0.17018E-02 5714 0.252E-01 0.205E-01 RMM: 4 -0.327931357691E+03 0.45424E-03 -0.11498E-03 5153 0.677E-02 0.912E-02 RMM: 5 -0.327931316380E+03 0.41311E-04 -0.14013E-04 3864 0.301E-02 0.778E-02 RMM: 6 -0.327931278230E+03 0.38150E-04 -0.31901E-05 2851 0.167E-02 0.413E-02 RMM: 7 -0.327931281625E+03 -0.33951E-05 -0.19927E-05 2529 0.137E-02 642 T= 6121. E= 0.67453973E+03 F= 0.62833771E+03 E0= 0.65694859E+03 EK= 0.49843E+02 SP= -.37E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328665755914E+03 -0.73448E+00 -0.12716E-01 8512 0.232E+01 0.176E-01 RMM: 2 -0.328682056824E+03 -0.16301E-01 -0.12709E-01 5077 0.766E-01 0.830E-01 RMM: 3 -0.328676514643E+03 0.55422E-02 -0.12290E-02 5880 0.213E-01 0.158E-01 RMM: 4 -0.328676208235E+03 0.30641E-03 -0.71051E-04 4863 0.561E-02 0.852E-02 RMM: 5 -0.328676179527E+03 0.28708E-04 -0.93079E-05 3614 0.259E-02 0.714E-02 RMM: 6 -0.328676149526E+03 0.30001E-04 -0.25685E-05 2614 0.155E-02 0.370E-02 RMM: 7 -0.328676153424E+03 -0.38976E-05 -0.17056E-05 2507 0.128E-02 643 T= 6231. E= 0.67453924E+03 F= 0.62759284E+03 E0= 0.65620224E+03 EK= 0.50742E+02 SP= -.39E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329463250558E+03 -0.78710E+00 -0.12525E-01 8624 0.234E+01 0.168E-01 RMM: 2 -0.329478502065E+03 -0.15252E-01 -0.12357E-01 5074 0.753E-01 0.761E-01 RMM: 3 -0.329473621100E+03 0.48810E-02 -0.11675E-02 5960 0.206E-01 0.156E-01 RMM: 4 -0.329473344490E+03 0.27661E-03 -0.65532E-04 4718 0.555E-02 0.994E-02 RMM: 5 -0.329473288170E+03 0.56320E-04 -0.98284E-05 3639 0.270E-02 0.672E-02 RMM: 6 -0.329473261029E+03 0.27141E-04 -0.25904E-05 2662 0.154E-02 0.381E-02 RMM: 7 -0.329473260300E+03 0.72921E-06 -0.20342E-05 2509 0.139E-02 644 T= 6349. E= 0.67453775E+03 F= 0.62679573E+03 E0= 0.65540511E+03 EK= 0.51706E+02 SP= -.40E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330307451031E+03 -0.83419E+00 -0.13140E-01 8432 0.237E+01 0.150E-01 RMM: 2 -0.330322104578E+03 -0.14654E-01 -0.12740E-01 5076 0.777E-01 0.654E-01 RMM: 3 -0.330318304973E+03 0.37996E-02 -0.12007E-02 6165 0.203E-01 0.146E-01 RMM: 4 -0.330318001969E+03 0.30300E-03 -0.54760E-04 4584 0.525E-02 0.856E-02 RMM: 5 -0.330317957831E+03 0.44138E-04 -0.76518E-05 3511 0.246E-02 0.660E-02 RMM: 6 -0.330317938065E+03 0.19767E-04 -0.24329E-05 2559 0.152E-02 645 T= 6475. E= 0.67453515E+03 F= 0.62595105E+03 E0= 0.65456156E+03 EK= 0.52725E+02 SP= -.42E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331182884759E+03 -0.86493E+00 -0.13019E-01 8376 0.239E+01 0.194E-01 RMM: 2 -0.331201343088E+03 -0.18458E-01 -0.12822E-01 4983 0.789E-01 0.999E-01 RMM: 3 -0.331193608056E+03 0.77350E-02 -0.12799E-02 5710 0.231E-01 0.192E-01 RMM: 4 -0.331193260821E+03 0.34724E-03 -0.84853E-04 5008 0.595E-02 0.779E-02 RMM: 5 -0.331193217355E+03 0.43465E-04 -0.88714E-05 3714 0.258E-02 0.622E-02 RMM: 6 -0.331193204714E+03 0.12642E-04 -0.22457E-05 2555 0.141E-02 646 T= 6604. E= 0.67453256E+03 F= 0.62507578E+03 E0= 0.65368815E+03 EK= 0.53779E+02 SP= -.44E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332068711300E+03 -0.87549E+00 -0.12792E-01 8152 0.242E+01 0.296E-01 RMM: 2 -0.332097720459E+03 -0.29009E-01 -0.12482E-01 4894 0.816E-01 0.163E+00 RMM: 3 -0.332078777810E+03 0.18943E-01 -0.15358E-02 5426 0.283E-01 0.315E-01 RMM: 4 -0.332078046215E+03 0.73160E-03 -0.16994E-03 4858 0.863E-02 0.869E-02 RMM: 5 -0.332078028870E+03 0.17345E-04 -0.20694E-04 4228 0.311E-02 0.915E-02 RMM: 6 -0.332077977970E+03 0.50899E-04 -0.29829E-05 2686 0.169E-02 0.477E-02 RMM: 7 -0.332077982934E+03 -0.49639E-05 -0.20614E-05 2529 0.142E-02 647 T= 6735. E= 0.67453009E+03 F= 0.62419101E+03 E0= 0.65280554E+03 EK= 0.54842E+02 SP= -.46E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332942027680E+03 -0.86405E+00 -0.13255E-01 7784 0.245E+01 0.261E-01 RMM: 2 -0.332968809939E+03 -0.26782E-01 -0.12443E-01 4927 0.802E-01 0.152E+00 RMM: 3 -0.332952211105E+03 0.16599E-01 -0.14681E-02 5445 0.269E-01 0.268E-01 RMM: 4 -0.332951731258E+03 0.47985E-03 -0.15159E-03 4844 0.811E-02 0.114E-01 RMM: 5 -0.332951714493E+03 0.16765E-04 -0.20763E-04 3888 0.355E-02 0.112E-01 RMM: 6 -0.332951629307E+03 0.85185E-04 -0.52570E-05 3216 0.214E-02 0.376E-02 RMM: 7 -0.332951630069E+03 -0.76175E-06 -0.18619E-05 2518 0.135E-02 648 T= 6863. E= 0.67452801E+03 F= 0.62331736E+03 E0= 0.65193242E+03 EK= 0.55889E+02 SP= -.47E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333784973558E+03 -0.83334E+00 -0.14239E-01 7896 0.247E+01 0.203E-01 RMM: 2 -0.333804719472E+03 -0.19746E-01 -0.12142E-01 4864 0.801E-01 0.114E+00 RMM: 3 -0.333795361866E+03 0.93576E-02 -0.13570E-02 5568 0.242E-01 0.198E-01 RMM: 4 -0.333795041899E+03 0.31997E-03 -0.10035E-03 4923 0.652E-02 0.879E-02 RMM: 5 -0.333794994936E+03 0.46963E-04 -0.11948E-04 3824 0.286E-02 0.742E-02 RMM: 6 -0.333794964929E+03 0.30007E-04 -0.27259E-05 2634 0.157E-02 0.466E-02 RMM: 7 -0.333794966021E+03 -0.10925E-05 -0.19694E-05 2530 0.138E-02 649 T= 6986. E= 0.67452595E+03 F= 0.62247402E+03 E0= 0.65108591E+03 EK= 0.56894E+02 SP= -.49E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334579195872E+03 -0.78423E+00 -0.14069E-01 7744 0.249E+01 0.167E-01 RMM: 2 -0.334593833095E+03 -0.14637E-01 -0.11599E-01 4890 0.791E-01 0.793E-01 RMM: 3 -0.334589246872E+03 0.45862E-02 -0.12557E-02 5940 0.212E-01 0.149E-01 RMM: 4 -0.334588954091E+03 0.29278E-03 -0.63478E-04 4733 0.575E-02 0.959E-02 RMM: 5 -0.334588896837E+03 0.57254E-04 -0.89992E-05 3617 0.275E-02 0.578E-02 RMM: 6 -0.334588881028E+03 0.15809E-04 -0.23295E-05 2555 0.146E-02 650 T= 7102. E= 0.67452387E+03 F= 0.62168011E+03 E0= 0.65028358E+03 EK= 0.57832E+02 SP= -.50E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335299079358E+03 -0.71018E+00 -0.14033E-01 7632 0.250E+01 0.193E-01 RMM: 2 -0.335316957965E+03 -0.17879E-01 -0.12843E-01 4805 0.846E-01 0.962E-01 RMM: 3 -0.335310375023E+03 0.65829E-02 -0.14941E-02 5772 0.236E-01 0.199E-01 RMM: 4 -0.335309938180E+03 0.43684E-03 -0.85493E-04 4819 0.653E-02 0.863E-02 RMM: 5 -0.335309895247E+03 0.42933E-04 -0.11177E-04 3964 0.273E-02 0.699E-02 RMM: 6 -0.335309870717E+03 0.24530E-04 -0.24374E-05 2558 0.150E-02 0.518E-02 RMM: 7 -0.335309873435E+03 -0.27173E-05 -0.28176E-05 2610 0.160E-02 651 T= 7205. E= 0.67452122E+03 F= 0.62095912E+03 E0= 0.64954690E+03 EK= 0.58673E+02 SP= -.51E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335918179806E+03 -0.60831E+00 -0.13685E-01 7528 0.252E+01 0.213E-01 RMM: 2 -0.335934839426E+03 -0.16660E-01 -0.10565E-01 4810 0.795E-01 0.106E+00 RMM: 3 -0.335927202317E+03 0.76371E-02 -0.12819E-02 5646 0.232E-01 0.200E-01 RMM: 4 -0.335926870245E+03 0.33207E-03 -0.96640E-04 4720 0.698E-02 0.105E-01 RMM: 5 -0.335926838398E+03 0.31847E-04 -0.14863E-04 3862 0.320E-02 0.889E-02 RMM: 6 -0.335926786374E+03 0.52024E-04 -0.35823E-05 2915 0.182E-02 0.302E-02 RMM: 7 -0.335926788934E+03 -0.25601E-05 -0.17626E-05 2500 0.137E-02 652 T= 7292. E= 0.67451846E+03 F= 0.62034220E+03 E0= 0.64890620E+03 EK= 0.59382E+02 SP= -.52E+01 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336391357587E+03 -0.46457E+00 -0.14116E-01 7488 0.253E+01 0.179E-01 RMM: 2 -0.336409216963E+03 -0.17859E-01 -0.13686E-01 4721 0.887E-01 0.905E-01 RMM: 3 -0.336403507584E+03 0.57094E-02 -0.16291E-02 5898 0.238E-01 0.147E-01 RMM: 4 -0.336403169653E+03 0.33793E-03 -0.77465E-04 4770 0.658E-02 0.107E-01 RMM: 5 -0.336403093152E+03 0.76501E-04 -0.11946E-04 3774 0.310E-02 0.611E-02 RMM: 6 -0.336403074407E+03 0.18745E-04 -0.29030E-05 2604 0.158E-02 653 T= 7358. E= 0.67451605E+03 F= 0.61986591E+03 E0= 0.64839667E+03 EK= 0.59917E+02 SP= -.53E+01 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336690416038E+03 -0.28732E+00 -0.13771E-01 7424 0.253E+01 0.179E-01 RMM: 2 -0.336707815093E+03 -0.17399E-01 -0.11970E-01 4743 0.837E-01 0.970E-01 RMM: 3 -0.336701098016E+03 0.67171E-02 -0.14634E-02 5674 0.238E-01 0.171E-01 RMM: 4 -0.336700777418E+03 0.32060E-03 -0.77890E-04 4832 0.611E-02 0.796E-02 RMM: 5 -0.336700736823E+03 0.40595E-04 -0.10409E-04 3950 0.289E-02 0.654E-02 RMM: 6 -0.336700719661E+03 0.17162E-04 -0.24901E-05 2532 0.150E-02 654 T= 7397. E= 0.67451419E+03 F= 0.61956827E+03 E0= 0.64805709E+03 EK= 0.60237E+02 SP= -.53E+01 SK= 0.42E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.336780101590E+03 -0.79365E-01 -0.13325E-01 7584 0.253E+01 0.309E-01 RMM: 2 -0.336809924526E+03 -0.29823E-01 -0.11649E-01 4765 0.857E-01 0.173E+00 RMM: 3 -0.336789551681E+03 0.20373E-01 -0.16715E-02 5397 0.302E-01 0.294E-01 RMM: 4 -0.336788910011E+03 0.64167E-03 -0.17172E-03 4993 0.850E-02 0.958E-02 RMM: 5 -0.336788876359E+03 0.33652E-04 -0.19933E-04 3927 0.331E-02 0.886E-02 RMM: 6 -0.336788825398E+03 0.50961E-04 -0.36840E-05 2902 0.181E-02 0.472E-02 RMM: 7 -0.336788827607E+03 -0.22086E-05 -0.23677E-05 2536 0.149E-02 655 T= 7406. E= 0.67451342E+03 F= 0.61948016E+03 E0= 0.64791991E+03 EK= 0.60310E+02 SP= -.53E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336643770839E+03 0.14505E+00 -0.13204E-01 7536 0.253E+01 0.244E-01 RMM: 2 -0.336666275444E+03 -0.22505E-01 -0.13067E-01 4692 0.877E-01 0.127E+00 RMM: 3 -0.336655175842E+03 0.11100E-01 -0.16791E-02 5497 0.276E-01 0.254E-01 RMM: 4 -0.336654720523E+03 0.45532E-03 -0.14416E-03 4987 0.822E-02 0.121E-01 RMM: 5 -0.336654680676E+03 0.39848E-04 -0.20630E-04 3899 0.355E-02 0.109E-01 RMM: 6 -0.336654601899E+03 0.78777E-04 -0.54767E-05 3263 0.216E-02 0.356E-02 RMM: 7 -0.336654604041E+03 -0.21422E-05 -0.19429E-05 2527 0.134E-02 656 T= 7383. E= 0.67451398E+03 F= 0.61961439E+03 E0= 0.64799989E+03 EK= 0.60123E+02 SP= -.52E+01 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336296009235E+03 0.35859E+00 -0.13331E-01 7624 0.252E+01 0.187E-01 RMM: 2 -0.336315747079E+03 -0.19738E-01 -0.14448E-01 4736 0.905E-01 0.978E-01 RMM: 3 -0.336308783543E+03 0.69635E-02 -0.17052E-02 5777 0.251E-01 0.173E-01 RMM: 4 -0.336308405914E+03 0.37763E-03 -0.86320E-04 4815 0.663E-02 0.987E-02 RMM: 5 -0.336308339684E+03 0.66230E-04 -0.12483E-04 3900 0.315E-02 0.618E-02 RMM: 6 -0.336308319790E+03 0.19894E-04 -0.29612E-05 2602 0.159E-02 657 T= 7330. E= 0.67451681E+03 F= 0.61996067E+03 E0= 0.64828823E+03 EK= 0.59688E+02 SP= -.52E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335777689564E+03 0.53065E+00 -0.12199E-01 7640 0.251E+01 0.197E-01 RMM: 2 -0.335796671422E+03 -0.18982E-01 -0.12115E-01 4780 0.827E-01 0.108E+00 RMM: 3 -0.335788216761E+03 0.84547E-02 -0.14480E-02 5649 0.245E-01 0.174E-01 RMM: 4 -0.335787905420E+03 0.31134E-03 -0.82878E-04 4828 0.620E-02 0.813E-02 RMM: 5 -0.335787863373E+03 0.42047E-04 -0.98466E-05 3948 0.274E-02 0.682E-02 RMM: 6 -0.335787845762E+03 0.17611E-04 -0.23337E-05 2536 0.143E-02 658 T= 7251. E= 0.67452153E+03 F= 0.62048114E+03 E0= 0.64875054E+03 EK= 0.59046E+02 SP= -.50E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335151265155E+03 0.63660E+00 -0.11764E-01 7648 0.249E+01 0.311E-01 RMM: 2 -0.335181517987E+03 -0.30253E-01 -0.11476E-01 4786 0.823E-01 0.174E+00 RMM: 3 -0.335160543413E+03 0.20975E-01 -0.16651E-02 5394 0.304E-01 0.322E-01 RMM: 4 -0.335159793685E+03 0.74973E-03 -0.17177E-03 5016 0.852E-02 0.893E-02 RMM: 5 -0.335159775104E+03 0.18581E-04 -0.18963E-04 3916 0.323E-02 659 T= 7155. E= 0.67452873E+03 F= 0.62110921E+03 E0= 0.64932244E+03 EK= 0.58268E+02 SP= -.49E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334505379312E+03 0.65441E+00 -0.11931E-01 7696 0.247E+01 0.259E-01 RMM: 2 -0.334529424288E+03 -0.24045E-01 -0.11830E-01 4973 0.799E-01 0.141E+00 RMM: 3 -0.334515368441E+03 0.14056E-01 -0.14403E-02 5419 0.270E-01 0.294E-01 RMM: 4 -0.334514752493E+03 0.61595E-03 -0.13441E-03 4825 0.753E-02 0.919E-02 RMM: 5 -0.334514707807E+03 0.44686E-04 -0.15284E-04 4003 0.311E-02 0.823E-02 RMM: 6 -0.334514672645E+03 0.35161E-04 -0.30221E-05 2657 0.162E-02 0.572E-02 RMM: 7 -0.334514684992E+03 -0.12346E-04 -0.31444E-05 2714 0.162E-02 660 T= 7055. E= 0.67453681E+03 F= 0.62175430E+03 E0= 0.64991820E+03 EK= 0.57449E+02 SP= -.47E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333946780450E+03 0.56789E+00 -0.11813E-01 7600 0.245E+01 0.247E-01 RMM: 2 -0.333964146088E+03 -0.17366E-01 -0.12260E-01 4795 0.829E-01 0.100E+00 RMM: 3 -0.333956973397E+03 0.71727E-02 -0.14539E-02 5667 0.246E-01 0.200E-01 RMM: 4 -0.333956819995E+03 0.15340E-03 -0.11258E-03 4774 0.759E-02 0.193E-01 RMM: 5 -0.333956657317E+03 0.16268E-03 -0.21894E-04 3881 0.380E-02 0.117E-01 RMM: 6 -0.333956566845E+03 0.90472E-04 -0.68504E-05 3439 0.244E-02 0.277E-02 RMM: 7 -0.333956575951E+03 -0.91066E-05 -0.18372E-05 2530 0.134E-02 661 T= 6962. E= 0.67454448E+03 F= 0.62231241E+03 E0= 0.65043370E+03 EK= 0.56696E+02 SP= -.45E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333577306705E+03 0.37926E+00 -0.11708E-01 7600 0.243E+01 0.202E-01 RMM: 2 -0.333594569764E+03 -0.17263E-01 -0.13542E-01 4889 0.871E-01 0.880E-01 RMM: 3 -0.333589039367E+03 0.55304E-02 -0.15916E-02 5865 0.242E-01 0.153E-01 RMM: 4 -0.333588703685E+03 0.33568E-03 -0.78557E-04 4940 0.616E-02 0.109E-01 RMM: 5 -0.333588609619E+03 0.94065E-04 -0.11084E-04 3873 0.287E-02 0.679E-02 RMM: 6 -0.333588584857E+03 0.24763E-04 -0.28360E-05 2598 0.157E-02 0.496E-02 RMM: 7 -0.333588572397E+03 0.12460E-04 -0.39765E-05 2694 0.179E-02 662 T= 6891. E= 0.67455056E+03 F= 0.62268042E+03 E0= 0.65077024E+03 EK= 0.56115E+02 SP= -.43E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333484599803E+03 0.10399E+00 -0.12248E-01 7488 0.242E+01 0.186E-01 RMM: 2 -0.333503757226E+03 -0.19157E-01 -0.15651E-01 4731 0.942E-01 0.843E-01 RMM: 3 -0.333498577026E+03 0.51802E-02 -0.18699E-02 5974 0.252E-01 0.168E-01 RMM: 4 -0.333498111773E+03 0.46525E-03 -0.82503E-04 5005 0.656E-02 0.827E-02 RMM: 5 -0.333498089438E+03 0.22335E-04 -0.11911E-04 3855 0.300E-02 0.789E-02 RMM: 6 -0.333498053749E+03 0.35689E-04 -0.30183E-05 2709 0.169E-02 0.374E-02 RMM: 7 -0.333498059808E+03 -0.60595E-05 -0.20371E-05 2515 0.142E-02 663 T= 6852. E= 0.67455455E+03 F= 0.62277093E+03 E0= 0.65084031E+03 EK= 0.55796E+02 SP= -.41E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333734501886E+03 -0.23645E+00 -0.11309E-01 7624 0.242E+01 0.207E-01 RMM: 2 -0.333750644086E+03 -0.16142E-01 -0.11739E-01 4902 0.811E-01 0.930E-01 RMM: 3 -0.333744520148E+03 0.61239E-02 -0.13295E-02 5730 0.230E-01 0.188E-01 RMM: 4 -0.333744205885E+03 0.31426E-03 -0.80949E-04 4742 0.641E-02 0.109E-01 RMM: 5 -0.333744139742E+03 0.66143E-04 -0.12537E-04 3799 0.294E-02 0.784E-02 RMM: 6 -0.333744101693E+03 0.38050E-04 -0.32050E-05 2846 0.171E-02 0.338E-02 RMM: 7 -0.333744101731E+03 -0.38439E-07 -0.15831E-05 2495 0.125E-02 664 T= 6852. E= 0.67455561E+03 F= 0.62252489E+03 E0= 0.65058610E+03 EK= 0.55796E+02 SP= -.39E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334332431889E+03 -0.58833E+00 -0.11079E-01 7712 0.243E+01 0.175E-01 RMM: 2 -0.334345563190E+03 -0.13131E-01 -0.10277E-01 4942 0.766E-01 0.777E-01 RMM: 3 -0.334341329155E+03 0.42340E-02 -0.11507E-02 5874 0.208E-01 0.149E-01 RMM: 4 -0.334341079443E+03 0.24971E-03 -0.58886E-04 4742 0.556E-02 0.101E-01 RMM: 5 -0.334341026451E+03 0.52992E-04 -0.92063E-05 3583 0.265E-02 0.745E-02 RMM: 6 -0.334340995265E+03 0.31186E-04 -0.28616E-05 2695 0.165E-02 0.393E-02 RMM: 7 -0.334340996475E+03 -0.12106E-05 -0.21426E-05 2517 0.139E-02 665 T= 6893. E= 0.67455336E+03 F= 0.62192799E+03 E0= 0.64999172E+03 EK= 0.56129E+02 SP= -.36E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335248721871E+03 -0.90773E+00 -0.11220E-01 7680 0.245E+01 0.177E-01 RMM: 2 -0.335262006035E+03 -0.13284E-01 -0.10117E-01 4897 0.759E-01 0.806E-01 RMM: 3 -0.335257431412E+03 0.45746E-02 -0.11333E-02 5839 0.209E-01 0.165E-01 RMM: 4 -0.335257153870E+03 0.27754E-03 -0.61479E-04 4715 0.576E-02 0.945E-02 RMM: 5 -0.335257105582E+03 0.48288E-04 -0.95895E-05 3604 0.273E-02 0.699E-02 RMM: 6 -0.335257077534E+03 0.28048E-04 -0.27230E-05 2650 0.161E-02 0.341E-02 RMM: 7 -0.335257077140E+03 0.39457E-06 -0.13760E-05 2485 0.116E-02 666 T= 6970. E= 0.67454847E+03 F= 0.62101191E+03 E0= 0.64908762E+03 EK= 0.56761E+02 SP= -.34E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336413772799E+03 -0.11567E+01 -0.11336E-01 7608 0.247E+01 0.158E-01 RMM: 2 -0.336424864428E+03 -0.11092E-01 -0.90378E-02 5051 0.710E-01 0.686E-01 RMM: 3 -0.336421445557E+03 0.34189E-02 -0.92727E-03 5830 0.185E-01 0.134E-01 RMM: 4 -0.336421260131E+03 0.18543E-03 -0.48742E-04 4587 0.518E-02 0.106E-01 RMM: 5 -0.336421187964E+03 0.72167E-04 -0.82193E-05 3536 0.256E-02 0.670E-02 RMM: 6 -0.336421163240E+03 0.24724E-04 -0.24697E-05 2577 0.153E-02 0.384E-02 RMM: 7 -0.336421159313E+03 0.39274E-05 -0.18395E-05 2502 0.126E-02 667 T= 7075. E= 0.67454101E+03 F= 0.61984783E+03 E0= 0.64794286E+03 EK= 0.57614E+02 SP= -.31E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337724440661E+03 -0.13033E+01 -0.11507E-01 7680 0.250E+01 0.163E-01 RMM: 2 -0.337735780040E+03 -0.11339E-01 -0.91939E-02 4924 0.726E-01 0.696E-01 RMM: 3 -0.337732427576E+03 0.33525E-02 -0.10445E-02 5857 0.193E-01 0.150E-01 RMM: 4 -0.337732175052E+03 0.25252E-03 -0.53306E-04 4602 0.553E-02 0.101E-01 RMM: 5 -0.337732111026E+03 0.64026E-04 -0.88443E-05 3572 0.269E-02 0.654E-02 RMM: 6 -0.337732088590E+03 0.22435E-04 -0.24044E-05 2558 0.149E-02 0.368E-02 RMM: 7 -0.337732086829E+03 0.17612E-05 -0.14402E-05 2484 0.117E-02 668 T= 7194. E= 0.67453296E+03 F= 0.61853690E+03 E0= 0.64665687E+03 EK= 0.58585E+02 SP= -.28E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339069650932E+03 -0.13376E+01 -0.11787E-01 7728 0.252E+01 0.157E-01 RMM: 2 -0.339080158573E+03 -0.10508E-01 -0.91387E-02 4944 0.722E-01 0.610E-01 RMM: 3 -0.339077493806E+03 0.26648E-02 -0.10062E-02 5897 0.189E-01 0.122E-01 RMM: 4 -0.339077320142E+03 0.17366E-03 -0.49163E-04 4532 0.536E-02 0.124E-01 RMM: 5 -0.339077222210E+03 0.97932E-04 -0.92547E-05 3602 0.284E-02 0.614E-02 RMM: 6 -0.339077202445E+03 0.19765E-04 -0.23652E-05 2555 0.146E-02 669 T= 7313. E= 0.67452532E+03 F= 0.61719179E+03 E0= 0.64534061E+03 EK= 0.59555E+02 SP= -.25E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340336725587E+03 -0.12595E+01 -0.11833E-01 7648 0.254E+01 0.147E-01 RMM: 2 -0.340347657104E+03 -0.10932E-01 -0.88272E-02 4987 0.700E-01 0.672E-01 RMM: 3 -0.340344442605E+03 0.32145E-02 -0.95011E-03 5775 0.186E-01 0.139E-01 RMM: 4 -0.340344243610E+03 0.19899E-03 -0.47012E-04 4447 0.501E-02 0.968E-02 RMM: 5 -0.340344170842E+03 0.72769E-04 -0.70445E-05 3455 0.250E-02 0.544E-02 RMM: 6 -0.340344164466E+03 0.63753E-05 -0.21553E-05 2524 0.133E-02 670 T= 7418. E= 0.67451890E+03 F= 0.61592482E+03 E0= 0.64410498E+03 EK= 0.60408E+02 SP= -.21E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341428017063E+03 -0.10838E+01 -0.12024E-01 7392 0.255E+01 0.221E-01 RMM: 2 -0.341445662069E+03 -0.17645E-01 -0.79615E-02 5080 0.678E-01 0.127E+00 RMM: 3 -0.341434352702E+03 0.11309E-01 -0.94151E-03 5458 0.216E-01 0.153E-01 RMM: 4 -0.341434227842E+03 0.12486E-03 -0.85288E-04 4659 0.611E-02 0.116E-01 RMM: 5 -0.341434139894E+03 0.87947E-04 -0.11573E-04 3821 0.283E-02 0.609E-02 RMM: 6 -0.341434121731E+03 0.18164E-04 -0.24112E-05 2567 0.148E-02 671 T= 7496. E= 0.67451394E+03 F= 0.61483487E+03 E0= 0.64304756E+03 EK= 0.61039E+02 SP= -.17E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342261041394E+03 -0.82690E+00 -0.12666E-01 7576 0.256E+01 0.218E-01 RMM: 2 -0.342278576305E+03 -0.17535E-01 -0.90031E-02 5051 0.706E-01 0.120E+00 RMM: 3 -0.342268448650E+03 0.10128E-01 -0.10340E-02 5415 0.227E-01 0.245E-01 RMM: 4 -0.342268053993E+03 0.39466E-03 -0.10062E-03 4688 0.673E-02 0.856E-02 RMM: 5 -0.342268004403E+03 0.49590E-04 -0.12376E-04 3909 0.289E-02 0.734E-02 RMM: 6 -0.342267976381E+03 0.28022E-04 -0.22822E-05 2551 0.141E-02 0.488E-02 RMM: 7 -0.342267968980E+03 0.74012E-05 -0.28181E-05 2566 0.165E-02 672 T= 7536. E= 0.67451016E+03 F= 0.61400102E+03 E0= 0.64224523E+03 EK= 0.61368E+02 SP= -.13E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342779806409E+03 -0.51183E+00 -0.13010E-01 7712 0.256E+01 0.169E-01 RMM: 2 -0.342792865724E+03 -0.13059E-01 -0.93038E-02 4858 0.714E-01 0.845E-01 RMM: 3 -0.342787747849E+03 0.51179E-02 -0.10429E-02 5648 0.206E-01 0.163E-01 RMM: 4 -0.342787538790E+03 0.20906E-03 -0.72324E-04 4670 0.612E-02 0.108E-01 RMM: 5 -0.342787477790E+03 0.61000E-04 -0.11195E-04 3728 0.291E-02 0.706E-02 RMM: 6 -0.342787447591E+03 0.30200E-04 -0.24710E-05 2572 0.151E-02 0.307E-02 RMM: 7 -0.342787448506E+03 -0.91478E-06 -0.13981E-05 2483 0.121E-02 673 T= 7532. E= 0.67450810E+03 F= 0.61348154E+03 E0= 0.64175399E+03 EK= 0.61337E+02 SP= -.80E+00 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342948257795E+03 -0.16081E+00 -0.13434E-01 7832 0.255E+01 0.161E-01 RMM: 2 -0.342961331033E+03 -0.13073E-01 -0.10689E-01 4904 0.753E-01 0.732E-01 RMM: 3 -0.342957474410E+03 0.38566E-02 -0.12030E-02 5916 0.205E-01 0.130E-01 RMM: 4 -0.342957238350E+03 0.23606E-03 -0.57023E-04 4696 0.541E-02 0.103E-01 RMM: 5 -0.342957162649E+03 0.75701E-04 -0.82910E-05 3579 0.263E-02 0.578E-02 RMM: 6 -0.342957147719E+03 0.14930E-04 -0.22214E-05 2535 0.139E-02 674 T= 7480. E= 0.67450771E+03 F= 0.61331184E+03 E0= 0.64160738E+03 EK= 0.60915E+02 SP= -.29E+00 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342750516210E+03 0.20665E+00 -0.13284E-01 7688 0.253E+01 0.150E-01 RMM: 2 -0.342765942670E+03 -0.15426E-01 -0.11843E-01 4824 0.787E-01 0.813E-01 RMM: 3 -0.342761045367E+03 0.48973E-02 -0.13792E-02 5882 0.217E-01 0.135E-01 RMM: 4 -0.342760751756E+03 0.29361E-03 -0.60373E-04 4942 0.532E-02 0.729E-02 RMM: 5 -0.342760720300E+03 0.31456E-04 -0.66786E-05 3272 0.243E-02 0.600E-02 RMM: 6 -0.342760714094E+03 0.62056E-05 -0.20535E-05 2518 0.139E-02 675 T= 7379. E= 0.67450853E+03 F= 0.61350828E+03 E0= 0.64182074E+03 EK= 0.60091E+02 SP= 0.26E+00 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342189786952E+03 0.57093E+00 -0.13028E-01 7640 0.251E+01 0.296E-01 RMM: 2 -0.342216944027E+03 -0.27157E-01 -0.12289E-01 4874 0.831E-01 0.158E+00 RMM: 3 -0.342199915418E+03 0.17029E-01 -0.16523E-02 5432 0.286E-01 0.304E-01 RMM: 4 -0.342199201609E+03 0.71381E-03 -0.15843E-03 4895 0.805E-02 0.755E-02 RMM: 5 -0.342199201836E+03 -0.22746E-06 -0.18430E-04 3981 0.311E-02 676 T= 7230. E= 0.67451143E+03 F= 0.61406979E+03 E0= 0.64239229E+03 EK= 0.58877E+02 SP= 0.85E+00 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341282325087E+03 0.91688E+00 -0.13095E-01 7896 0.248E+01 0.229E-01 RMM: 2 -0.341304581621E+03 -0.22257E-01 -0.11488E-01 5020 0.765E-01 0.132E+00 RMM: 3 -0.341292115422E+03 0.12466E-01 -0.13311E-02 5477 0.247E-01 0.262E-01 RMM: 4 -0.341291587147E+03 0.52828E-03 -0.11658E-03 4853 0.690E-02 0.870E-02 RMM: 5 -0.341291555627E+03 0.31520E-04 -0.13260E-04 3902 0.290E-02 0.726E-02 RMM: 6 -0.341291531437E+03 0.24190E-04 -0.24469E-05 2566 0.141E-02 0.554E-02 RMM: 7 -0.341291549582E+03 -0.18145E-04 -0.27932E-05 2645 0.157E-02 677 T= 7037. E= 0.67451507E+03 F= 0.61497744E+03 E0= 0.64330423E+03 EK= 0.57302E+02 SP= 0.15E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340063489135E+03 0.12280E+01 -0.12131E-01 8064 0.244E+01 0.218E-01 RMM: 2 -0.340078364941E+03 -0.14876E-01 -0.10076E-01 4919 0.730E-01 0.971E-01 RMM: 3 -0.340071811294E+03 0.65536E-02 -0.11510E-02 5667 0.215E-01 0.188E-01 RMM: 4 -0.340071562148E+03 0.24915E-03 -0.85796E-04 4756 0.634E-02 0.128E-01 RMM: 5 -0.340071531478E+03 0.30670E-04 -0.15766E-04 3849 0.323E-02 0.112E-01 RMM: 6 -0.340071450083E+03 0.81395E-04 -0.56625E-05 3299 0.223E-02 0.237E-02 RMM: 7 -0.340071461021E+03 -0.10938E-04 -0.14856E-05 2512 0.120E-02 678 T= 6805. E= 0.67451903E+03 F= 0.61619753E+03 E0= 0.64452367E+03 EK= 0.55413E+02 SP= 0.21E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338575401431E+03 0.14960E+01 -0.12020E-01 7984 0.240E+01 0.143E-01 RMM: 2 -0.338587216857E+03 -0.11815E-01 -0.10192E-01 5148 0.717E-01 0.628E-01 RMM: 3 -0.338584071232E+03 0.31456E-02 -0.10078E-02 6037 0.182E-01 0.117E-01 RMM: 4 -0.338583849151E+03 0.22208E-03 -0.43556E-04 4509 0.466E-02 0.933E-02 RMM: 5 -0.338583779423E+03 0.69727E-04 -0.60505E-05 3299 0.236E-02 0.526E-02 RMM: 6 -0.338583769018E+03 0.10405E-04 -0.21926E-05 2520 0.136E-02 679 T= 6541. E= 0.67452441E+03 F= 0.61768522E+03 E0= 0.64600780E+03 EK= 0.53270E+02 SP= 0.27E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336879310026E+03 0.17045E+01 -0.11135E-01 7880 0.235E+01 0.169E-01 RMM: 2 -0.336893418904E+03 -0.14109E-01 -0.90409E-02 5047 0.676E-01 0.926E-01 RMM: 3 -0.336887001452E+03 0.64175E-02 -0.94448E-03 5624 0.195E-01 0.167E-01 RMM: 4 -0.336886754153E+03 0.24730E-03 -0.63060E-04 4715 0.528E-02 0.770E-02 RMM: 5 -0.336886722573E+03 0.31581E-04 -0.76700E-05 3639 0.236E-02 0.664E-02 RMM: 6 -0.336886702073E+03 0.20499E-04 -0.22549E-05 2542 0.142E-02 0.509E-02 RMM: 7 -0.336886720921E+03 -0.18848E-04 -0.44113E-05 3039 0.191E-02 680 T= 6256. E= 0.67452959E+03 F= 0.61938227E+03 E0= 0.64770052E+03 EK= 0.50943E+02 SP= 0.34E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335046088943E+03 0.18406E+01 -0.10525E-01 7920 0.230E+01 0.240E-01 RMM: 2 -0.335061304158E+03 -0.15215E-01 -0.81020E-02 5154 0.667E-01 0.115E+00 RMM: 3 -0.335052173454E+03 0.91307E-02 -0.88736E-03 5585 0.205E-01 0.221E-01 RMM: 4 -0.335051900363E+03 0.27309E-03 -0.10221E-03 4663 0.719E-02 0.137E-01 RMM: 5 -0.335051854689E+03 0.45675E-04 -0.15761E-04 3855 0.313E-02 0.118E-01 RMM: 6 -0.335051761272E+03 0.93417E-04 -0.42562E-05 3110 0.204E-02 0.264E-02 RMM: 7 -0.335051765208E+03 -0.39362E-05 -0.17447E-05 2502 0.126E-02 681 T= 5958. E= 0.67453626E+03 F= 0.62121722E+03 E0= 0.64953267E+03 EK= 0.48517E+02 SP= 0.40E+01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333160226350E+03 0.18915E+01 -0.10303E-01 7688 0.225E+01 0.139E-01 RMM: 2 -0.333170436740E+03 -0.10210E-01 -0.86722E-02 5140 0.662E-01 0.602E-01 RMM: 3 -0.333167605580E+03 0.28312E-02 -0.84284E-03 5958 0.170E-01 0.121E-01 RMM: 4 -0.333167430997E+03 0.17458E-03 -0.40751E-04 4319 0.459E-02 0.962E-02 RMM: 5 -0.333167359741E+03 0.71255E-04 -0.61661E-05 3328 0.234E-02 0.576E-02 RMM: 6 -0.333167346797E+03 0.12944E-04 -0.20307E-05 2519 0.132E-02 682 T= 5660. E= 0.67454413E+03 F= 0.62310164E+03 E0= 0.65141896E+03 EK= 0.46090E+02 SP= 0.46E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331330485123E+03 0.18369E+01 -0.91063E-02 7552 0.219E+01 0.204E-01 RMM: 2 -0.331344826390E+03 -0.14341E-01 -0.69868E-02 5189 0.616E-01 0.112E+00 RMM: 3 -0.331336047427E+03 0.87790E-02 -0.79222E-03 5487 0.196E-01 0.175E-01 RMM: 4 -0.331335823859E+03 0.22357E-03 -0.69493E-04 4858 0.514E-02 0.758E-02 RMM: 5 -0.331335784225E+03 0.39634E-04 -0.60518E-05 3377 0.223E-02 0.654E-02 RMM: 6 -0.331335768073E+03 0.16152E-04 -0.21176E-05 2524 0.138E-02 683 T= 5375. E= 0.67455318E+03 F= 0.62493322E+03 E0= 0.65325677E+03 EK= 0.43772E+02 SP= 0.52E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329666909344E+03 0.16689E+01 -0.82761E-02 7248 0.214E+01 0.294E-01 RMM: 2 -0.329689088678E+03 -0.22179E-01 -0.75451E-02 5132 0.659E-01 0.155E+00 RMM: 3 -0.329672597127E+03 0.16492E-01 -0.11716E-02 5366 0.260E-01 0.289E-01 RMM: 4 -0.329672009781E+03 0.58735E-03 -0.13211E-03 4708 0.751E-02 0.794E-02 RMM: 5 -0.329671978413E+03 0.31368E-04 -0.14132E-04 3983 0.282E-02 0.816E-02 RMM: 6 -0.329671941010E+03 0.37403E-04 -0.26647E-05 2617 0.162E-02 0.441E-02 RMM: 7 -0.329671945839E+03 -0.48288E-05 -0.19438E-05 2524 0.136E-02 684 T= 5118. E= 0.67456252E+03 F= 0.62659704E+03 E0= 0.65493353E+03 EK= 0.41682E+02 SP= 0.58E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328289812489E+03 0.13821E+01 -0.79292E-02 7480 0.209E+01 0.283E-01 RMM: 2 -0.328309660600E+03 -0.19848E-01 -0.68786E-02 5075 0.633E-01 0.146E+00 RMM: 3 -0.328295040545E+03 0.14620E-01 -0.10182E-02 5373 0.239E-01 0.284E-01 RMM: 4 -0.328294551063E+03 0.48948E-03 -0.13511E-03 4681 0.791E-02 0.132E-01 RMM: 5 -0.328294586265E+03 -0.35202E-04 -0.22446E-04 3880 0.384E-02 0.151E-01 RMM: 6 -0.328294432854E+03 0.15341E-03 -0.78533E-05 3536 0.265E-02 0.329E-02 RMM: 7 -0.328294431333E+03 0.15206E-05 -0.16739E-05 2529 0.124E-02 685 T= 4904. E= 0.67457096E+03 F= 0.62797456E+03 E0= 0.65633191E+03 EK= 0.39936E+02 SP= 0.62E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327304625644E+03 0.98981E+00 -0.80336E-02 7488 0.204E+01 0.194E-01 RMM: 2 -0.327317566204E+03 -0.12941E-01 -0.74330E-02 4992 0.644E-01 0.990E-01 RMM: 3 -0.327310843883E+03 0.67223E-02 -0.87826E-03 5496 0.199E-01 0.188E-01 RMM: 4 -0.327310592212E+03 0.25167E-03 -0.68909E-04 4712 0.543E-02 0.781E-02 RMM: 5 -0.327310544909E+03 0.47303E-04 -0.89010E-05 3705 0.260E-02 0.628E-02 RMM: 6 -0.327310521069E+03 0.23840E-04 -0.23242E-05 2559 0.146E-02 0.375E-02 RMM: 7 -0.327310519411E+03 0.16580E-05 -0.17482E-05 2504 0.124E-02 686 T= 4745. E= 0.67457742E+03 F= 0.62895847E+03 E0= 0.65734518E+03 EK= 0.38642E+02 SP= 0.67E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326795474569E+03 0.51505E+00 -0.76361E-02 7528 0.202E+01 0.126E-01 RMM: 2 -0.326802495972E+03 -0.70214E-02 -0.56229E-02 4881 0.575E-01 0.561E-01 RMM: 3 -0.326800371627E+03 0.21243E-02 -0.64911E-03 5805 0.155E-01 0.120E-01 RMM: 4 -0.326800222216E+03 0.14941E-03 -0.31740E-04 4488 0.410E-02 0.675E-02 RMM: 5 -0.326800196799E+03 0.25417E-04 -0.42054E-05 2960 0.206E-02 0.505E-02 RMM: 6 -0.326800186079E+03 0.10720E-04 -0.19810E-05 2509 0.136E-02 687 T= 4651. E= 0.67458054E+03 F= 0.62946880E+03 E0= 0.65789272E+03 EK= 0.37875E+02 SP= 0.70E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326792795174E+03 0.74016E-02 -0.82559E-02 7496 0.201E+01 0.164E-01 RMM: 2 -0.326806225926E+03 -0.13431E-01 -0.87381E-02 4768 0.705E-01 0.894E-01 RMM: 3 -0.326800427376E+03 0.57985E-02 -0.10258E-02 5646 0.199E-01 0.149E-01 RMM: 4 -0.326800202121E+03 0.22525E-03 -0.62442E-04 4759 0.541E-02 0.783E-02 RMM: 5 -0.326800170210E+03 0.31912E-04 -0.79991E-05 3600 0.255E-02 0.553E-02 RMM: 6 -0.326800153627E+03 0.16582E-04 -0.20557E-05 2530 0.132E-02 688 T= 4626. E= 0.67458021E+03 F= 0.62946884E+03 E0= 0.65793784E+03 EK= 0.37669E+02 SP= 0.73E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327291955573E+03 -0.49179E+00 -0.79897E-02 7664 0.202E+01 0.217E-01 RMM: 2 -0.327307906248E+03 -0.15951E-01 -0.74170E-02 4890 0.654E-01 0.118E+00 RMM: 3 -0.327298092577E+03 0.98137E-02 -0.95787E-03 5417 0.218E-01 0.223E-01 RMM: 4 -0.327297711743E+03 0.38083E-03 -0.92317E-04 4727 0.624E-02 0.595E-02 RMM: 5 -0.327297696771E+03 0.14972E-04 -0.97485E-05 3955 0.235E-02 689 T= 4667. E= 0.67457669E+03 F= 0.62897129E+03 E0= 0.65749163E+03 EK= 0.38009E+02 SP= 0.75E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328224490051E+03 -0.92678E+00 -0.80531E-02 8096 0.205E+01 0.158E-01 RMM: 2 -0.328236057785E+03 -0.11568E-01 -0.80089E-02 4944 0.648E-01 0.785E-01 RMM: 3 -0.328231476810E+03 0.45810E-02 -0.90237E-03 5622 0.187E-01 0.184E-01 RMM: 4 -0.328231179162E+03 0.29765E-03 -0.60429E-04 4675 0.524E-02 0.717E-02 RMM: 5 -0.328231153061E+03 0.26101E-04 -0.64299E-05 3373 0.215E-02 0.639E-02 RMM: 6 -0.328231143550E+03 0.95104E-05 -0.19568E-05 2513 0.134E-02 690 T= 4768. E= 0.67457034E+03 F= 0.62803785E+03 E0= 0.65661424E+03 EK= 0.38830E+02 SP= 0.77E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329494269853E+03 -0.12631E+01 -0.89521E-02 7848 0.208E+01 0.295E-01 RMM: 2 -0.329520383640E+03 -0.26114E-01 -0.96168E-02 4846 0.730E-01 0.165E+00 RMM: 3 -0.329501833842E+03 0.18550E-01 -0.14123E-02 5387 0.277E-01 0.298E-01 RMM: 4 -0.329501226813E+03 0.60703E-03 -0.15744E-03 4878 0.768E-02 0.861E-02 RMM: 5 -0.329501219670E+03 0.71430E-05 -0.17972E-04 3905 0.327E-02 691 T= 4916. E= 0.67456248E+03 F= 0.62676777E+03 E0= 0.65540280E+03 EK= 0.40033E+02 SP= 0.78E+01 SK= 0.49E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330980638460E+03 -0.14794E+01 -0.91195E-02 8504 0.213E+01 0.262E-01 RMM: 2 -0.331006575732E+03 -0.25937E-01 -0.94982E-02 5081 0.702E-01 0.164E+00 RMM: 3 -0.330988406393E+03 0.18169E-01 -0.12128E-02 5399 0.251E-01 0.263E-01 RMM: 4 -0.330987919647E+03 0.48675E-03 -0.13401E-03 4799 0.729E-02 0.104E-01 RMM: 5 -0.330987859987E+03 0.59660E-04 -0.14997E-04 3906 0.316E-02 0.799E-02 RMM: 6 -0.330987828069E+03 0.31918E-04 -0.30263E-05 2709 0.162E-02 0.569E-02 RMM: 7 -0.330987833588E+03 -0.55188E-05 -0.27196E-05 2615 0.156E-02 692 T= 5096. E= 0.67455433E+03 F= 0.62528116E+03 E0= 0.65397483E+03 EK= 0.41497E+02 SP= 0.78E+01 SK= 0.12E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332557424222E+03 -0.15696E+01 -0.98643E-02 8456 0.217E+01 0.215E-01 RMM: 2 -0.332573509121E+03 -0.16085E-01 -0.98338E-02 5008 0.697E-01 0.107E+00 RMM: 3 -0.332565411795E+03 0.80973E-02 -0.10842E-02 5549 0.216E-01 0.179E-01 RMM: 4 -0.332565234343E+03 0.17745E-03 -0.92338E-04 4765 0.632E-02 0.133E-01 RMM: 5 -0.332565134153E+03 0.10019E-03 -0.13964E-04 3854 0.292E-02 0.785E-02 RMM: 6 -0.332565096209E+03 0.37944E-04 -0.31484E-05 2923 0.170E-02 0.290E-02 RMM: 7 -0.332565097645E+03 -0.14362E-05 -0.11636E-05 2488 0.107E-02 693 T= 5292. E= 0.67454601E+03 F= 0.62370389E+03 E0= 0.65245416E+03 EK= 0.43094E+02 SP= 0.77E+01 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334103303360E+03 -0.15382E+01 -0.10652E-01 8496 0.221E+01 0.186E-01 RMM: 2 -0.334117146387E+03 -0.13843E-01 -0.10438E-01 5229 0.709E-01 0.847E-01 RMM: 3 -0.334111961323E+03 0.51851E-02 -0.10190E-02 5921 0.191E-01 0.176E-01 RMM: 4 -0.334111644116E+03 0.31721E-03 -0.65005E-04 4680 0.568E-02 0.114E-01 RMM: 5 -0.334111551659E+03 0.92457E-04 -0.10012E-04 3721 0.262E-02 0.691E-02 RMM: 6 -0.334111532045E+03 0.19613E-04 -0.19784E-05 2538 0.132E-02 694 T= 5489. E= 0.67453828E+03 F= 0.62215746E+03 E0= 0.65095795E+03 EK= 0.44700E+02 SP= 0.77E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335509192657E+03 -0.13976E+01 -0.11466E-01 8736 0.224E+01 0.150E-01 RMM: 2 -0.335522169921E+03 -0.12977E-01 -0.10304E-01 5327 0.672E-01 0.737E-01 RMM: 3 -0.335517843415E+03 0.43265E-02 -0.92434E-03 5951 0.177E-01 0.165E-01 RMM: 4 -0.335517555867E+03 0.28755E-03 -0.49543E-04 4648 0.451E-02 0.871E-02 RMM: 5 -0.335517525809E+03 0.30058E-04 -0.47581E-05 2863 0.185E-02 0.790E-02 RMM: 6 -0.335517517916E+03 0.78931E-05 -0.18608E-05 2511 0.129E-02 695 T= 5673. E= 0.67453117E+03 F= 0.62075147E+03 E0= 0.64959568E+03 EK= 0.46202E+02 SP= 0.75E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336681896799E+03 -0.11644E+01 -0.12353E-01 8912 0.227E+01 0.404E-01 RMM: 2 -0.336726297423E+03 -0.44401E-01 -0.11865E-01 5171 0.789E-01 0.228E+00 RMM: 3 -0.336690452890E+03 0.35845E-01 -0.19162E-02 5373 0.336E-01 0.387E-01 RMM: 4 -0.336689339456E+03 0.11134E-02 -0.23318E-03 4884 0.990E-02 0.111E-01 RMM: 5 -0.336689333428E+03 0.60282E-05 -0.29533E-04 3941 0.388E-02 0.121E-01 RMM: 6 -0.336689243003E+03 0.90425E-04 -0.60047E-05 3342 0.229E-02 0.513E-02 RMM: 7 -0.336689235799E+03 0.72041E-05 -0.18841E-05 2520 0.133E-02 696 T= 5833. E= 0.67452542E+03 F= 0.61957975E+03 E0= 0.64846051E+03 EK= 0.47501E+02 SP= 0.74E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337546344160E+03 -0.85710E+00 -0.12878E-01 9048 0.229E+01 0.341E-01 RMM: 2 -0.337584202231E+03 -0.37858E-01 -0.11615E-01 5305 0.727E-01 0.203E+00 RMM: 3 -0.337555241625E+03 0.28961E-01 -0.15955E-02 5369 0.300E-01 0.377E-01 RMM: 4 -0.337554273321E+03 0.96830E-03 -0.20869E-03 4825 0.943E-02 0.136E-01 RMM: 5 -0.337554251269E+03 0.22051E-04 -0.29914E-04 3902 0.432E-02 0.132E-01 RMM: 6 -0.337554126088E+03 0.12518E-03 -0.79512E-05 3569 0.254E-02 0.462E-02 RMM: 7 -0.337554123265E+03 0.28232E-05 -0.21213E-05 2553 0.137E-02 697 T= 5959. E= 0.67452170E+03 F= 0.61871487E+03 E0= 0.64762174E+03 EK= 0.48523E+02 SP= 0.72E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338057117536E+03 -0.50299E+00 -0.14185E-01 8864 0.231E+01 0.251E-01 RMM: 2 -0.338082722518E+03 -0.25605E-01 -0.12232E-01 5092 0.755E-01 0.148E+00 RMM: 3 -0.338067047802E+03 0.15675E-01 -0.12892E-02 5448 0.248E-01 0.241E-01 RMM: 4 -0.338066600577E+03 0.44723E-03 -0.12710E-03 5016 0.686E-02 0.816E-02 RMM: 5 -0.338066570382E+03 0.30195E-04 -0.13649E-04 3795 0.296E-02 0.763E-02 RMM: 6 -0.338066536164E+03 0.34218E-04 -0.27178E-05 2623 0.157E-02 0.413E-02 RMM: 7 -0.338066536682E+03 -0.51792E-06 -0.13996E-05 2496 0.121E-02 698 T= 6044. E= 0.67452018E+03 F= 0.61820245E+03 E0= 0.64712543E+03 EK= 0.49216E+02 SP= 0.70E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338203612882E+03 -0.13708E+00 -0.13345E-01 9048 0.231E+01 0.182E-01 RMM: 2 -0.338218435431E+03 -0.14823E-01 -0.10373E-01 5289 0.673E-01 0.898E-01 RMM: 3 -0.338212067244E+03 0.63682E-02 -0.85127E-03 5600 0.193E-01 0.196E-01 RMM: 4 -0.338211767395E+03 0.29985E-03 -0.71940E-04 4756 0.562E-02 0.794E-02 RMM: 5 -0.338211736257E+03 0.31138E-04 -0.96315E-05 3697 0.252E-02 0.675E-02 RMM: 6 -0.338211709057E+03 0.27200E-04 -0.21217E-05 2559 0.139E-02 0.373E-02 RMM: 7 -0.338211707657E+03 0.14009E-05 -0.12193E-05 2482 0.110E-02 699 T= 6086. E= 0.67452073E+03 F= 0.61805728E+03 E0= 0.64698650E+03 EK= 0.49562E+02 SP= 0.68E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337997335893E+03 0.21437E+00 -0.13646E-01 8880 0.231E+01 0.171E-01 RMM: 2 -0.338012883438E+03 -0.15548E-01 -0.11074E-01 5089 0.717E-01 0.899E-01 RMM: 3 -0.338006689510E+03 0.61939E-02 -0.10271E-02 5832 0.200E-01 0.155E-01 RMM: 4 -0.338006421778E+03 0.26773E-03 -0.63666E-04 4779 0.539E-02 0.850E-02 RMM: 5 -0.338006382223E+03 0.39555E-04 -0.82713E-05 3591 0.241E-02 0.608E-02 RMM: 6 -0.338006363767E+03 0.18455E-04 -0.20052E-05 2544 0.134E-02 700 T= 6088. E= 0.67452378E+03 F= 0.61826263E+03 E0= 0.64718819E+03 EK= 0.49576E+02 SP= 0.66E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337489641405E+03 0.51674E+00 -0.13059E-01 8632 0.230E+01 0.202E-01 RMM: 2 -0.337507649465E+03 -0.18008E-01 -0.10450E-01 5087 0.702E-01 0.113E+00 RMM: 3 -0.337498352655E+03 0.92968E-02 -0.10608E-02 5548 0.215E-01 0.217E-01 RMM: 4 -0.337497959010E+03 0.39364E-03 -0.85845E-04 4853 0.598E-02 0.796E-02 RMM: 5 -0.337497927485E+03 0.31525E-04 -0.87793E-05 3746 0.239E-02 0.686E-02 RMM: 6 -0.337497912535E+03 0.14950E-04 -0.17653E-05 2522 0.120E-02 701 T= 6054. E= 0.67452860E+03 F= 0.61877108E+03 E0= 0.64768359E+03 EK= 0.49302E+02 SP= 0.63E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336750801729E+03 0.74713E+00 -0.12455E-01 8264 0.229E+01 0.323E-01 RMM: 2 -0.336782999394E+03 -0.32198E-01 -0.97489E-02 5031 0.720E-01 0.189E+00 RMM: 3 -0.336758243638E+03 0.24756E-01 -0.14510E-02 5379 0.285E-01 0.316E-01 RMM: 4 -0.336757514462E+03 0.72918E-03 -0.16859E-03 4867 0.816E-02 0.866E-02 RMM: 5 -0.336757482867E+03 0.31594E-04 -0.17194E-04 3995 0.302E-02 0.827E-02 RMM: 6 -0.336757448516E+03 0.34351E-04 -0.27522E-05 2665 0.160E-02 0.520E-02 RMM: 7 -0.336757463619E+03 -0.15102E-04 -0.24376E-05 2572 0.154E-02 702 T= 5994. E= 0.67453468E+03 F= 0.61951153E+03 E0= 0.64840231E+03 EK= 0.48812E+02 SP= 0.61E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335864247962E+03 0.89320E+00 -0.11658E-01 8088 0.228E+01 0.332E-01 RMM: 2 -0.335896984831E+03 -0.32737E-01 -0.96492E-02 4949 0.711E-01 0.193E+00 RMM: 3 -0.335871695229E+03 0.25290E-01 -0.14886E-02 5371 0.289E-01 0.362E-01 RMM: 4 -0.335870820389E+03 0.87484E-03 -0.19240E-03 4935 0.927E-02 0.128E-01 RMM: 5 -0.335870889264E+03 -0.68875E-04 -0.32811E-04 3935 0.448E-02 0.160E-01 RMM: 6 -0.335870716217E+03 0.17305E-03 -0.10023E-04 3660 0.289E-02 0.416E-02 RMM: 7 -0.335870712556E+03 0.36617E-05 -0.19686E-05 2553 0.131E-02 703 T= 5918. E= 0.67454119E+03 F= 0.62039828E+03 E0= 0.64926014E+03 EK= 0.48191E+02 SP= 0.58E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334915616218E+03 0.95510E+00 -0.11913E-01 7936 0.227E+01 0.270E-01 RMM: 2 -0.334941371323E+03 -0.25755E-01 -0.10001E-01 4878 0.739E-01 0.161E+00 RMM: 3 -0.334923728490E+03 0.17643E-01 -0.13798E-02 5394 0.266E-01 0.249E-01 RMM: 4 -0.334923298598E+03 0.42989E-03 -0.14355E-03 5193 0.694E-02 0.813E-02 RMM: 5 -0.334923245017E+03 0.53581E-04 -0.13247E-04 3794 0.307E-02 0.761E-02 RMM: 6 -0.334923207839E+03 0.37178E-04 -0.31440E-05 2815 0.169E-02 0.417E-02 RMM: 7 -0.334923209950E+03 -0.21110E-05 -0.19346E-05 2524 0.137E-02 704 T= 5836. E= 0.67454733E+03 F= 0.62134578E+03 E0= 0.65017266E+03 EK= 0.47525E+02 SP= 0.55E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333985127292E+03 0.93808E+00 -0.11380E-01 7824 0.226E+01 0.177E-01 RMM: 2 -0.333997150809E+03 -0.12024E-01 -0.82958E-02 4794 0.683E-01 0.851E-01 RMM: 3 -0.333992214928E+03 0.49359E-02 -0.99238E-03 5696 0.199E-01 0.170E-01 RMM: 4 -0.333991932684E+03 0.28224E-03 -0.63994E-04 4840 0.543E-02 0.726E-02 RMM: 5 -0.333991918779E+03 0.13905E-04 -0.87095E-05 3629 0.254E-02 705 T= 5758. E= 0.67455268E+03 F= 0.62227707E+03 E0= 0.65106512E+03 EK= 0.46894E+02 SP= 0.51E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333131205106E+03 0.86073E+00 -0.11644E-01 7816 0.226E+01 0.122E-01 RMM: 2 -0.333141010321E+03 -0.98052E-02 -0.87461E-02 4757 0.704E-01 0.530E-01 RMM: 3 -0.333139071845E+03 0.19385E-02 -0.10563E-02 6086 0.185E-01 0.105E-01 RMM: 4 -0.333138840324E+03 0.23152E-03 -0.39514E-04 4663 0.481E-02 0.891E-02 RMM: 5 -0.333138788829E+03 0.51495E-04 -0.52652E-05 3162 0.235E-02 0.598E-02 RMM: 6 -0.333138781606E+03 0.72227E-05 -0.25800E-05 2528 0.151E-02 706 T= 5693. E= 0.67455713E+03 F= 0.62313021E+03 E0= 0.65187707E+03 EK= 0.46361E+02 SP= 0.48E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332402266115E+03 0.73652E+00 -0.11185E-01 7616 0.225E+01 0.287E-01 RMM: 2 -0.332428963001E+03 -0.26697E-01 -0.83757E-02 4786 0.704E-01 0.171E+00 RMM: 3 -0.332408648806E+03 0.20314E-01 -0.12288E-02 5361 0.262E-01 0.251E-01 RMM: 4 -0.332408222310E+03 0.42650E-03 -0.13543E-03 4739 0.730E-02 0.876E-02 RMM: 5 -0.332408251662E+03 -0.29352E-04 -0.18014E-04 3886 0.337E-02 0.113E-01 RMM: 6 -0.332408171269E+03 0.80393E-04 -0.46772E-05 3139 0.202E-02 0.344E-02 RMM: 7 -0.332408170053E+03 0.12157E-05 -0.16108E-05 2503 0.128E-02 707 T= 5645. E= 0.67455972E+03 F= 0.62386082E+03 E0= 0.65256666E+03 EK= 0.45973E+02 SP= 0.44E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331818395847E+03 0.58978E+00 -0.10650E-01 7648 0.226E+01 0.263E-01 RMM: 2 -0.331840636345E+03 -0.22240E-01 -0.74303E-02 5085 0.668E-01 0.155E+00 RMM: 3 -0.331824011370E+03 0.16625E-01 -0.10153E-02 5373 0.240E-01 0.268E-01 RMM: 4 -0.331823518072E+03 0.49330E-03 -0.11817E-03 4668 0.723E-02 0.899E-02 RMM: 5 -0.331823494776E+03 0.23296E-04 -0.15479E-04 3889 0.311E-02 0.971E-02 RMM: 6 -0.331823431480E+03 0.63296E-04 -0.35933E-05 2964 0.184E-02 0.375E-02 RMM: 7 -0.331823428963E+03 0.25169E-05 -0.17204E-05 2502 0.127E-02 708 T= 5619. E= 0.67456095E+03 F= 0.62444556E+03 E0= 0.65311289E+03 EK= 0.45756E+02 SP= 0.40E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331382020456E+03 0.44141E+00 -0.11076E-01 7712 0.226E+01 0.200E-01 RMM: 2 -0.331396559802E+03 -0.14539E-01 -0.74895E-02 4915 0.660E-01 0.110E+00 RMM: 3 -0.331388065912E+03 0.84939E-02 -0.89666E-03 5419 0.209E-01 0.201E-01 RMM: 4 -0.331387770439E+03 0.29547E-03 -0.79627E-04 4864 0.565E-02 0.624E-02 RMM: 5 -0.331387763250E+03 0.71890E-05 -0.96268E-05 3717 0.268E-02 709 T= 5614. E= 0.67456131E+03 F= 0.62488123E+03 E0= 0.65351361E+03 EK= 0.45715E+02 SP= 0.35E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331083454569E+03 0.30432E+00 -0.10544E-01 7688 0.227E+01 0.149E-01 RMM: 2 -0.331092641183E+03 -0.91866E-02 -0.63490E-02 5106 0.603E-01 0.764E-01 RMM: 3 -0.331088745206E+03 0.38960E-02 -0.66997E-03 5751 0.160E-01 0.142E-01 RMM: 4 -0.331088545330E+03 0.19988E-03 -0.39229E-04 4303 0.446E-02 0.848E-02 RMM: 5 -0.331088495650E+03 0.49679E-04 -0.54019E-05 3235 0.217E-02 0.632E-02 RMM: 6 -0.331088483069E+03 0.12581E-04 -0.23638E-05 2531 0.144E-02 710 T= 5629. E= 0.67456036E+03 F= 0.62518051E+03 E0= 0.65378377E+03 EK= 0.45838E+02 SP= 0.30E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330893634865E+03 0.19486E+00 -0.10462E-01 7520 0.228E+01 0.287E-01 RMM: 2 -0.330918187813E+03 -0.24553E-01 -0.80265E-02 4936 0.694E-01 0.163E+00 RMM: 3 -0.330899625153E+03 0.18563E-01 -0.11959E-02 5366 0.261E-01 0.260E-01 RMM: 4 -0.330899150416E+03 0.47474E-03 -0.12743E-03 4828 0.695E-02 0.763E-02 RMM: 5 -0.330899150445E+03 -0.28531E-07 -0.15368E-04 3852 0.319E-02 711 T= 5661. E= 0.67455896E+03 F= 0.62536984E+03 E0= 0.65394911E+03 EK= 0.46102E+02 SP= 0.25E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330775995440E+03 0.12315E+00 -0.10359E-01 7760 0.229E+01 0.259E-01 RMM: 2 -0.330799540510E+03 -0.23545E-01 -0.75985E-02 5127 0.667E-01 0.158E+00 RMM: 3 -0.330781862106E+03 0.17678E-01 -0.10346E-02 5367 0.243E-01 0.249E-01 RMM: 4 -0.330781443129E+03 0.41898E-03 -0.11662E-03 4774 0.683E-02 0.977E-02 RMM: 5 -0.330781391544E+03 0.51585E-04 -0.13305E-04 3827 0.303E-02 0.861E-02 RMM: 6 -0.330781346578E+03 0.44965E-04 -0.33214E-05 2817 0.175E-02 0.484E-02 RMM: 7 -0.330781350985E+03 -0.44061E-05 -0.25008E-05 2579 0.147E-02 712 T= 5706. E= 0.67455738E+03 F= 0.62548764E+03 E0= 0.65404772E+03 EK= 0.46469E+02 SP= 0.19E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330684587617E+03 0.96759E-01 -0.11213E-01 7736 0.230E+01 0.234E-01 RMM: 2 -0.330701137813E+03 -0.16550E-01 -0.91603E-02 4837 0.733E-01 0.117E+00 RMM: 3 -0.330691969855E+03 0.91680E-02 -0.11190E-02 5512 0.227E-01 0.204E-01 RMM: 4 -0.330691653323E+03 0.31653E-03 -0.92690E-04 4811 0.625E-02 0.870E-02 RMM: 5 -0.330691647562E+03 0.57602E-05 -0.13893E-04 3835 0.304E-02 713 T= 5758. E= 0.67455558E+03 F= 0.62557734E+03 E0= 0.65412169E+03 EK= 0.46894E+02 SP= 0.14E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330580161236E+03 0.11149E+00 -0.11106E-01 7792 0.231E+01 0.123E-01 RMM: 2 -0.330589356031E+03 -0.91948E-02 -0.85544E-02 5085 0.689E-01 0.506E-01 RMM: 3 -0.330587615270E+03 0.17408E-02 -0.88816E-03 6078 0.165E-01 0.126E-01 RMM: 4 -0.330587383126E+03 0.23214E-03 -0.39943E-04 4249 0.506E-02 0.900E-02 RMM: 5 -0.330587317995E+03 0.65131E-04 -0.57540E-05 3276 0.228E-02 0.613E-02 RMM: 6 -0.330587309255E+03 0.87395E-05 -0.23494E-05 2544 0.137E-02 714 T= 5813. E= 0.67455457E+03 F= 0.62568168E+03 E0= 0.65421197E+03 EK= 0.47335E+02 SP= 0.75E+00 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330427669478E+03 0.15965E+00 -0.11880E-01 7648 0.232E+01 0.187E-01 RMM: 2 -0.330443868887E+03 -0.16199E-01 -0.10209E-01 4748 0.752E-01 0.103E+00 RMM: 3 -0.330436428985E+03 0.74399E-02 -0.12193E-02 5633 0.221E-01 0.176E-01 RMM: 4 -0.330436118825E+03 0.31016E-03 -0.79617E-04 4899 0.585E-02 0.681E-02 RMM: 5 -0.330436093296E+03 0.25528E-04 -0.95567E-05 3853 0.253E-02 0.579E-02 RMM: 6 -0.330436076614E+03 0.16682E-04 -0.19558E-05 2531 0.130E-02 715 T= 5865. E= 0.67455396E+03 F= 0.62583291E+03 E0= 0.65434981E+03 EK= 0.47759E+02 SP= 0.11E+00 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330212458727E+03 0.22363E+00 -0.11419E-01 7648 0.233E+01 0.293E-01 RMM: 2 -0.330240219835E+03 -0.27761E-01 -0.10347E-01 5006 0.778E-01 0.170E+00 RMM: 3 -0.330220471803E+03 0.19748E-01 -0.13856E-02 5434 0.268E-01 0.261E-01 RMM: 4 -0.330219959684E+03 0.51212E-03 -0.14428E-03 4764 0.788E-02 0.955E-02 RMM: 5 -0.330219925241E+03 0.34443E-04 -0.17224E-04 3968 0.308E-02 0.950E-02 RMM: 6 -0.330219867529E+03 0.57712E-04 -0.36050E-05 2915 0.183E-02 0.451E-02 RMM: 7 -0.330219869007E+03 -0.14777E-05 -0.23324E-05 2535 0.146E-02 716 T= 5912. E= 0.67455453E+03 F= 0.62604912E+03 E0= 0.65454975E+03 EK= 0.48146E+02 SP= -.56E+00 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329929264123E+03 0.29060E+00 -0.11335E-01 7712 0.234E+01 0.214E-01 RMM: 2 -0.329947494803E+03 -0.18231E-01 -0.10115E-01 4823 0.743E-01 0.117E+00 RMM: 3 -0.329937848734E+03 0.96461E-02 -0.12286E-02 5516 0.235E-01 0.225E-01 RMM: 4 -0.329937480100E+03 0.36863E-03 -0.10409E-03 4735 0.682E-02 0.860E-02 RMM: 5 -0.329937469727E+03 0.10373E-04 -0.13631E-04 3906 0.290E-02 717 T= 5955. E= 0.67455655E+03 F= 0.62633152E+03 E0= 0.65481199E+03 EK= 0.48493E+02 SP= -.12E+01 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329596608871E+03 0.34087E+00 -0.11259E-01 7736 0.234E+01 0.159E-01 RMM: 2 -0.329609699670E+03 -0.13091E-01 -0.85554E-02 5159 0.664E-01 0.914E-01 RMM: 3 -0.329603735630E+03 0.59640E-02 -0.83588E-03 5726 0.184E-01 0.155E-01 RMM: 4 -0.329603516186E+03 0.21944E-03 -0.49562E-04 4689 0.471E-02 0.810E-02 RMM: 5 -0.329603472610E+03 0.43576E-04 -0.54631E-05 3248 0.206E-02 0.718E-02 RMM: 6 -0.329603461683E+03 0.10927E-04 -0.24919E-05 2542 0.150E-02 718 T= 5994. E= 0.67455889E+03 F= 0.62666553E+03 E0= 0.65512127E+03 EK= 0.48812E+02 SP= -.20E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329232487411E+03 0.37099E+00 -0.11192E-01 7592 0.234E+01 0.281E-01 RMM: 2 -0.329258187570E+03 -0.25700E-01 -0.10060E-01 4771 0.750E-01 0.158E+00 RMM: 3 -0.329240355010E+03 0.17833E-01 -0.14085E-02 5400 0.276E-01 0.213E-01 RMM: 4 -0.329240057095E+03 0.29792E-03 -0.14747E-03 5093 0.704E-02 0.920E-02 RMM: 5 -0.329240024766E+03 0.32329E-04 -0.13157E-04 3773 0.309E-02 0.837E-02 RMM: 6 -0.329239981663E+03 0.43103E-04 -0.31103E-05 2839 0.170E-02 0.361E-02 RMM: 7 -0.329239983282E+03 -0.16194E-05 -0.12725E-05 2492 0.119E-02 719 T= 6032. E= 0.67456117E+03 F= 0.62702901E+03 E0= 0.65545509E+03 EK= 0.49124E+02 SP= -.27E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328860691678E+03 0.37929E+00 -0.11002E-01 7672 0.234E+01 0.330E-01 RMM: 2 -0.328890667607E+03 -0.29976E-01 -0.10667E-01 4998 0.784E-01 0.178E+00 RMM: 3 -0.328868836043E+03 0.21832E-01 -0.15925E-02 5398 0.296E-01 0.297E-01 RMM: 4 -0.328868203279E+03 0.63276E-03 -0.17456E-03 4851 0.853E-02 0.111E-01 RMM: 5 -0.328868199662E+03 0.36165E-05 -0.21830E-04 3889 0.368E-02 0.119E-01 RMM: 6 -0.328868100334E+03 0.99329E-04 -0.56441E-05 3278 0.221E-02 0.366E-02 RMM: 7 -0.328868098384E+03 0.19504E-05 -0.16396E-05 2522 0.124E-02 720 T= 6072. E= 0.67456270E+03 F= 0.62740089E+03 E0= 0.65579321E+03 EK= 0.49448E+02 SP= -.34E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328486583793E+03 0.38152E+00 -0.11435E-01 7552 0.235E+01 0.188E-01 RMM: 2 -0.328502634995E+03 -0.16051E-01 -0.10235E-01 4909 0.741E-01 0.100E+00 RMM: 3 -0.328495345366E+03 0.72896E-02 -0.11474E-02 5556 0.221E-01 0.184E-01 RMM: 4 -0.328495039804E+03 0.30556E-03 -0.80270E-04 4880 0.592E-02 0.784E-02 RMM: 5 -0.328495015508E+03 0.24296E-04 -0.97743E-05 3738 0.268E-02 0.671E-02 RMM: 6 -0.328494991273E+03 0.24235E-04 -0.22843E-05 2566 0.144E-02 0.414E-02 RMM: 7 -0.328495000067E+03 -0.87939E-05 -0.18699E-05 2520 0.133E-02 721 T= 6114. E= 0.67456233E+03 F= 0.62777399E+03 E0= 0.65613041E+03 EK= 0.49789E+02 SP= -.42E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328096981794E+03 0.39801E+00 -0.11316E-01 7728 0.235E+01 0.163E-01 RMM: 2 -0.328109036886E+03 -0.12055E-01 -0.98797E-02 4846 0.730E-01 0.691E-01 RMM: 3 -0.328105509499E+03 0.35274E-02 -0.11148E-02 5902 0.201E-01 0.140E-01 RMM: 4 -0.328105267626E+03 0.24187E-03 -0.57433E-04 4673 0.556E-02 0.102E-01 RMM: 5 -0.328105208811E+03 0.58814E-04 -0.88606E-05 3588 0.269E-02 0.602E-02 RMM: 6 -0.328105189128E+03 0.19683E-04 -0.22343E-05 2548 0.144E-02 722 T= 6156. E= 0.67456075E+03 F= 0.62816380E+03 E0= 0.65648534E+03 EK= 0.50131E+02 SP= -.50E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327654547147E+03 0.45066E+00 -0.11160E-01 7744 0.237E+01 0.148E-01 RMM: 2 -0.327666681185E+03 -0.12134E-01 -0.10390E-01 5007 0.727E-01 0.625E-01 RMM: 3 -0.327663513227E+03 0.31680E-02 -0.10509E-02 6009 0.191E-01 0.158E-01 RMM: 4 -0.327663205806E+03 0.30742E-03 -0.47963E-04 4495 0.513E-02 0.838E-02 RMM: 5 -0.327663159608E+03 0.46198E-04 -0.62886E-05 3382 0.232E-02 0.622E-02 RMM: 6 -0.327663148356E+03 0.11252E-04 -0.21680E-05 2522 0.141E-02 723 T= 6194. E= 0.67455889E+03 F= 0.62860584E+03 E0= 0.65689558E+03 EK= 0.50437E+02 SP= -.58E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327119036019E+03 0.54412E+00 -0.11084E-01 7904 0.238E+01 0.308E-01 RMM: 2 -0.327148061275E+03 -0.29025E-01 -0.99841E-02 5031 0.747E-01 0.174E+00 RMM: 3 -0.327126540097E+03 0.21521E-01 -0.13840E-02 5384 0.281E-01 0.272E-01 RMM: 4 -0.327126004581E+03 0.53552E-03 -0.14955E-03 4812 0.769E-02 0.793E-02 RMM: 5 -0.327125983706E+03 0.20875E-04 -0.14782E-04 3924 0.307E-02 0.799E-02 RMM: 6 -0.327125949629E+03 0.34078E-04 -0.26934E-05 2609 0.156E-02 0.482E-02 RMM: 7 -0.327125956076E+03 -0.64479E-05 -0.21340E-05 2536 0.149E-02 724 T= 6222. E= 0.67455769E+03 F= 0.62914303E+03 E0= 0.65740563E+03 EK= 0.50664E+02 SP= -.66E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326456199003E+03 0.66975E+00 -0.11364E-01 7848 0.239E+01 0.269E-01 RMM: 2 -0.326479130188E+03 -0.22931E-01 -0.11210E-01 5091 0.752E-01 0.140E+00 RMM: 3 -0.326464839840E+03 0.14290E-01 -0.13110E-02 5398 0.263E-01 0.256E-01 RMM: 4 -0.326464438960E+03 0.40088E-03 -0.14649E-03 4853 0.812E-02 0.124E-01 RMM: 5 -0.326464395516E+03 0.43445E-04 -0.19443E-04 3914 0.339E-02 0.114E-01 RMM: 6 -0.326464312343E+03 0.83172E-04 -0.47425E-05 3150 0.209E-02 0.375E-02 RMM: 7 -0.326464313743E+03 -0.13999E-05 -0.17902E-05 2522 0.126E-02 725 T= 6236. E= 0.67455884E+03 F= 0.62980468E+03 E0= 0.65804597E+03 EK= 0.50782E+02 SP= -.74E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325672845856E+03 0.79147E+00 -0.11738E-01 8096 0.239E+01 0.233E-01 RMM: 2 -0.325694233160E+03 -0.21387E-01 -0.12431E-01 5082 0.788E-01 0.124E+00 RMM: 3 -0.325682996122E+03 0.11237E-01 -0.13314E-02 5664 0.241E-01 0.218E-01 RMM: 4 -0.325682586907E+03 0.40922E-03 -0.99043E-04 4836 0.651E-02 0.910E-02 RMM: 5 -0.325682538494E+03 0.48413E-04 -0.11851E-04 3814 0.279E-02 0.748E-02 RMM: 6 -0.325682508956E+03 0.29537E-04 -0.26508E-05 2642 0.154E-02 0.527E-02 RMM: 7 -0.325682509791E+03 -0.83457E-06 -0.23514E-05 2571 0.147E-02 726 T= 6237. E= 0.67456261E+03 F= 0.63058648E+03 E0= 0.65881137E+03 EK= 0.50793E+02 SP= -.82E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324815482398E+03 0.86703E+00 -0.11599E-01 8360 0.238E+01 0.194E-01 RMM: 2 -0.324830566542E+03 -0.15084E-01 -0.11984E-01 5139 0.768E-01 0.816E-01 RMM: 3 -0.324825339400E+03 0.52271E-02 -0.12165E-02 5971 0.215E-01 0.147E-01 RMM: 4 -0.324825104608E+03 0.23479E-03 -0.70558E-04 4820 0.578E-02 0.116E-01 RMM: 5 -0.324825020370E+03 0.84238E-04 -0.96764E-05 3691 0.253E-02 0.643E-02 RMM: 6 -0.324825000851E+03 0.19519E-04 -0.22625E-05 2569 0.146E-02 727 T= 6231. E= 0.67456863E+03 F= 0.63144399E+03 E0= 0.65965795E+03 EK= 0.50740E+02 SP= -.90E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323958351536E+03 0.86667E+00 -0.12608E-01 8048 0.238E+01 0.198E-01 RMM: 2 -0.323978133370E+03 -0.19782E-01 -0.14473E-01 5060 0.842E-01 0.982E-01 RMM: 3 -0.323970778876E+03 0.73545E-02 -0.14954E-02 5876 0.236E-01 0.207E-01 RMM: 4 -0.323970304892E+03 0.47398E-03 -0.81403E-04 4916 0.614E-02 0.920E-02 RMM: 5 -0.323970254913E+03 0.49980E-04 -0.93634E-05 3846 0.241E-02 0.796E-02 RMM: 6 -0.323970237809E+03 0.17103E-04 -0.20422E-05 2539 0.134E-02 728 T= 6226. E= 0.67457629E+03 F= 0.63229875E+03 E0= 0.66050583E+03 EK= 0.50701E+02 SP= -.99E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323204639791E+03 0.76562E+00 -0.11940E-01 8224 0.237E+01 0.377E-01 RMM: 2 -0.323246818109E+03 -0.42178E-01 -0.13345E-01 5117 0.851E-01 0.214E+00 RMM: 3 -0.323214752525E+03 0.32066E-01 -0.19545E-02 5377 0.335E-01 0.373E-01 RMM: 4 -0.323213758650E+03 0.99387E-03 -0.22300E-03 5049 0.931E-02 0.101E-01 RMM: 5 -0.323213724474E+03 0.34177E-04 -0.22074E-04 3988 0.338E-02 0.973E-02 RMM: 6 -0.323213673314E+03 0.51160E-04 -0.33277E-05 2776 0.172E-02 0.625E-02 RMM: 7 -0.323213681785E+03 -0.84707E-05 -0.30996E-05 2766 0.170E-02 729 T= 6234. E= 0.67458268E+03 F= 0.63305531E+03 E0= 0.66125942E+03 EK= 0.50768E+02 SP= -.11E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322626112281E+03 0.58756E+00 -0.11773E-01 8168 0.237E+01 0.386E-01 RMM: 2 -0.322666968764E+03 -0.40856E-01 -0.13728E-01 5013 0.855E-01 0.211E+00 RMM: 3 -0.322636591325E+03 0.30377E-01 -0.19924E-02 5393 0.336E-01 0.392E-01 RMM: 4 -0.322635583205E+03 0.10081E-02 -0.25348E-03 5186 0.105E-01 0.142E-01 RMM: 5 -0.322635712133E+03 -0.12893E-03 -0.39035E-04 3930 0.462E-02 0.198E-01 RMM: 6 -0.322635445222E+03 0.26691E-03 -0.13745E-04 3849 0.333E-02 0.438E-02 RMM: 7 -0.322635439188E+03 0.60345E-05 -0.21323E-05 2586 0.130E-02 730 T= 6266. E= 0.67458599E+03 F= 0.63363355E+03 E0= 0.66183891E+03 EK= 0.51023E+02 SP= -.12E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322260343492E+03 0.37510E+00 -0.12110E-01 8024 0.238E+01 0.272E-01 RMM: 2 -0.322287884553E+03 -0.27541E-01 -0.14468E-01 4946 0.880E-01 0.150E+00 RMM: 3 -0.322272295156E+03 0.15589E-01 -0.16910E-02 5558 0.281E-01 0.248E-01 RMM: 4 -0.322271759021E+03 0.53613E-03 -0.14048E-03 4950 0.750E-02 0.907E-02 RMM: 5 -0.322271725696E+03 0.33325E-04 -0.16604E-04 3894 0.325E-02 0.878E-02 RMM: 6 -0.322271673975E+03 0.51721E-04 -0.36147E-05 2877 0.179E-02 0.438E-02 RMM: 7 -0.322271675151E+03 -0.11758E-05 -0.19917E-05 2528 0.138E-02 731 T= 6325. E= 0.67458587E+03 F= 0.63399731E+03 E0= 0.66220658E+03 EK= 0.51504E+02 SP= -.12E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322097933687E+03 0.17374E+00 -0.11953E-01 8064 0.240E+01 0.199E-01 RMM: 2 -0.322115414929E+03 -0.17481E-01 -0.12900E-01 5057 0.813E-01 0.944E-01 RMM: 3 -0.322108853796E+03 0.65611E-02 -0.13334E-02 5845 0.227E-01 0.194E-01 RMM: 4 -0.322108466426E+03 0.38737E-03 -0.81678E-04 4849 0.622E-02 0.873E-02 RMM: 5 -0.322108432376E+03 0.34050E-04 -0.11497E-04 3772 0.280E-02 0.740E-02 RMM: 6 -0.322108399747E+03 0.32629E-04 -0.27315E-05 2672 0.160E-02 0.372E-02 RMM: 7 -0.322108402412E+03 -0.26657E-05 -0.16672E-05 2510 0.128E-02 732 T= 6410. E= 0.67458259E+03 F= 0.63416059E+03 E0= 0.66237744E+03 EK= 0.52199E+02 SP= -.13E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322080021775E+03 0.28378E-01 -0.12791E-01 7992 0.243E+01 0.195E-01 RMM: 2 -0.322098861957E+03 -0.18840E-01 -0.15094E-01 4988 0.888E-01 0.887E-01 RMM: 3 -0.322093055574E+03 0.58064E-02 -0.16094E-02 6024 0.232E-01 0.171E-01 RMM: 4 -0.322092615468E+03 0.44011E-03 -0.80740E-04 4780 0.668E-02 0.119E-01 RMM: 5 -0.322092525882E+03 0.89586E-04 -0.12924E-04 3810 0.304E-02 0.697E-02 RMM: 6 -0.322092501535E+03 0.24347E-04 -0.27389E-05 2617 0.157E-02 0.461E-02 RMM: 7 -0.322092494929E+03 0.66059E-05 -0.29362E-05 2589 0.161E-02 733 T= 6515. E= 0.67457831E+03 F= 0.63417649E+03 E0= 0.66240251E+03 EK= 0.53056E+02 SP= -.14E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322147317124E+03 -0.54816E-01 -0.12518E-01 8072 0.245E+01 0.200E-01 RMM: 2 -0.322165102531E+03 -0.17785E-01 -0.13940E-01 5074 0.856E-01 0.900E-01 RMM: 3 -0.322159259537E+03 0.58430E-02 -0.14745E-02 5959 0.228E-01 0.173E-01 RMM: 4 -0.322158878661E+03 0.38088E-03 -0.78101E-04 4818 0.630E-02 0.117E-01 RMM: 5 -0.322158794113E+03 0.84547E-04 -0.11754E-04 3798 0.285E-02 0.745E-02 RMM: 6 -0.322158771318E+03 0.22795E-04 -0.28613E-05 2648 0.161E-02 0.539E-02 RMM: 7 -0.322158770248E+03 0.10694E-05 -0.28800E-05 2610 0.156E-02 734 T= 6632. E= 0.67457498E+03 F= 0.63411022E+03 E0= 0.66234744E+03 EK= 0.54011E+02 SP= -.15E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322246927104E+03 -0.88156E-01 -0.12460E-01 7944 0.247E+01 0.201E-01 RMM: 2 -0.322263537377E+03 -0.16610E-01 -0.13329E-01 5219 0.818E-01 0.869E-01 RMM: 3 -0.322257894422E+03 0.56430E-02 -0.12485E-02 6013 0.211E-01 0.165E-01 RMM: 4 -0.322257596838E+03 0.29758E-03 -0.73915E-04 4734 0.621E-02 0.136E-01 RMM: 5 -0.322257473578E+03 0.12326E-03 -0.12344E-04 3799 0.296E-02 0.680E-02 RMM: 6 -0.322257453395E+03 0.20183E-04 -0.26400E-05 2639 0.155E-02 0.513E-02 RMM: 7 -0.322257444764E+03 0.86303E-05 -0.34299E-05 2640 0.166E-02 735 T= 6755. E= 0.67457337E+03 F= 0.63401154E+03 E0= 0.66226010E+03 EK= 0.55011E+02 SP= -.16E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322357729131E+03 -0.10028E+00 -0.12256E-01 7864 0.249E+01 0.201E-01 RMM: 2 -0.322374564635E+03 -0.16836E-01 -0.13310E-01 5200 0.824E-01 0.881E-01 RMM: 3 -0.322368786569E+03 0.57781E-02 -0.12735E-02 5991 0.213E-01 0.165E-01 RMM: 4 -0.322368485056E+03 0.30151E-03 -0.73621E-04 4728 0.621E-02 0.132E-01 RMM: 5 -0.322368364071E+03 0.12098E-03 -0.11969E-04 3778 0.285E-02 0.739E-02 RMM: 6 -0.322368339609E+03 0.24462E-04 -0.28127E-05 2684 0.161E-02 0.523E-02 RMM: 7 -0.322368329757E+03 0.98525E-05 -0.31937E-05 2627 0.156E-02 736 T= 6881. E= 0.67457383E+03 F= 0.63390066E+03 E0= 0.66215941E+03 EK= 0.56032E+02 SP= -.17E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322494659360E+03 -0.12632E+00 -0.12369E-01 7688 0.250E+01 0.190E-01 RMM: 2 -0.322509918793E+03 -0.15259E-01 -0.12642E-01 5238 0.800E-01 0.801E-01 RMM: 3 -0.322505063084E+03 0.48557E-02 -0.11471E-02 6047 0.203E-01 0.154E-01 RMM: 4 -0.322504804251E+03 0.25883E-03 -0.63904E-04 4717 0.574E-02 0.128E-01 RMM: 5 -0.322504688797E+03 0.11545E-03 -0.10404E-04 3697 0.276E-02 0.676E-02 RMM: 6 -0.322504668278E+03 0.20519E-04 -0.25793E-05 2616 0.153E-02 0.522E-02 RMM: 7 -0.322504657265E+03 0.11013E-04 -0.39350E-05 2682 0.168E-02 737 T= 7009. E= 0.67457597E+03 F= 0.63376433E+03 E0= 0.66203131E+03 EK= 0.57081E+02 SP= -.18E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322696439057E+03 -0.19177E+00 -0.12299E-01 7512 0.250E+01 0.200E-01 RMM: 2 -0.322712021690E+03 -0.15583E-01 -0.12127E-01 5236 0.792E-01 0.863E-01 RMM: 3 -0.322706328946E+03 0.56927E-02 -0.11137E-02 5960 0.206E-01 0.162E-01 RMM: 4 -0.322706089308E+03 0.23964E-03 -0.70234E-04 4688 0.603E-02 0.131E-01 RMM: 5 -0.322705972065E+03 0.11724E-03 -0.11345E-04 3736 0.282E-02 0.731E-02 RMM: 6 -0.322705945524E+03 0.26541E-04 -0.27438E-05 2656 0.161E-02 0.467E-02 RMM: 7 -0.322705940661E+03 0.48631E-05 -0.28453E-05 2604 0.149E-02 738 T= 7146. E= 0.67457852E+03 F= 0.63356305E+03 E0= 0.66183536E+03 EK= 0.58192E+02 SP= -.19E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323010963580E+03 -0.30502E+00 -0.13048E-01 7632 0.251E+01 0.176E-01 RMM: 2 -0.323025245744E+03 -0.14282E-01 -0.12151E-01 5196 0.796E-01 0.730E-01 RMM: 3 -0.323021014058E+03 0.42317E-02 -0.11124E-02 6029 0.204E-01 0.153E-01 RMM: 4 -0.323020772371E+03 0.24169E-03 -0.57633E-04 4725 0.549E-02 0.113E-01 RMM: 5 -0.323020678891E+03 0.93480E-04 -0.91786E-05 3619 0.265E-02 0.676E-02 RMM: 6 -0.323020657989E+03 0.20902E-04 -0.25852E-05 2581 0.154E-02 0.496E-02 RMM: 7 -0.323020649702E+03 0.82866E-05 -0.38267E-05 2683 0.168E-02 739 T= 7295. E= 0.67458053E+03 F= 0.63324834E+03 E0= 0.66152314E+03 EK= 0.59406E+02 SP= -.19E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323480631022E+03 -0.45997E+00 -0.12939E-01 7816 0.252E+01 0.184E-01 RMM: 2 -0.323494643956E+03 -0.14013E-01 -0.11164E-01 5068 0.788E-01 0.787E-01 RMM: 3 -0.323489868438E+03 0.47755E-02 -0.11071E-02 5876 0.213E-01 0.154E-01 RMM: 4 -0.323489647489E+03 0.22095E-03 -0.61349E-04 4711 0.570E-02 0.112E-01 RMM: 5 -0.323489564720E+03 0.82769E-04 -0.10055E-04 3675 0.281E-02 0.697E-02 RMM: 6 -0.323489540736E+03 0.23984E-04 -0.26854E-05 2600 0.159E-02 0.450E-02 RMM: 7 -0.323489536240E+03 0.44960E-05 -0.29774E-05 2588 0.160E-02 740 T= 7461. E= 0.67458064E+03 F= 0.63277945E+03 E0= 0.66105418E+03 EK= 0.60758E+02 SP= -.20E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324119809852E+03 -0.63027E+00 -0.12916E-01 7704 0.254E+01 0.167E-01 RMM: 2 -0.324133027216E+03 -0.13217E-01 -0.11375E-01 4947 0.804E-01 0.692E-01 RMM: 3 -0.324129500063E+03 0.35272E-02 -0.12014E-02 5915 0.218E-01 0.158E-01 RMM: 4 -0.324129247727E+03 0.25234E-03 -0.55970E-04 4727 0.557E-02 0.999E-02 RMM: 5 -0.324129173858E+03 0.73869E-04 -0.89908E-05 3613 0.278E-02 0.661E-02 RMM: 6 -0.324129154731E+03 0.19127E-04 -0.26962E-05 2573 0.157E-02 741 T= 7645. E= 0.67457844E+03 F= 0.63213983E+03 E0= 0.66041252E+03 EK= 0.62256E+02 SP= -.21E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324911623901E+03 -0.78245E+00 -0.13596E-01 7784 0.256E+01 0.222E-01 RMM: 2 -0.324930923092E+03 -0.19299E-01 -0.12513E-01 4890 0.857E-01 0.111E+00 RMM: 3 -0.324922212100E+03 0.87110E-02 -0.14328E-02 5546 0.258E-01 0.211E-01 RMM: 4 -0.324921837716E+03 0.37438E-03 -0.94752E-04 4833 0.660E-02 0.884E-02 RMM: 5 -0.324921789300E+03 0.48416E-04 -0.12196E-04 3955 0.313E-02 0.717E-02 RMM: 6 -0.324921767815E+03 0.21484E-04 -0.28559E-05 2604 0.158E-02 0.600E-02 RMM: 7 -0.324921774637E+03 -0.68216E-05 -0.51334E-05 3234 0.206E-02 742 T= 7844. E= 0.67457396E+03 F= 0.63134721E+03 E0= 0.65961658E+03 EK= 0.63875E+02 SP= -.22E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325806350189E+03 -0.88458E+00 -0.13597E-01 7560 0.260E+01 0.246E-01 RMM: 2 -0.325824216517E+03 -0.17866E-01 -0.11820E-01 4850 0.857E-01 0.109E+00 RMM: 3 -0.325816087307E+03 0.81292E-02 -0.14187E-02 5489 0.267E-01 0.247E-01 RMM: 4 -0.325815700187E+03 0.38712E-03 -0.11816E-03 4878 0.764E-02 0.119E-01 RMM: 5 -0.325815639896E+03 0.60290E-04 -0.17992E-04 3900 0.346E-02 0.101E-01 RMM: 6 -0.325815574403E+03 0.65493E-04 -0.47678E-05 3153 0.207E-02 0.370E-02 RMM: 7 -0.325815578130E+03 -0.37269E-05 -0.20913E-05 2538 0.141E-02 743 T= 8050. E= 0.67456755E+03 F= 0.63045341E+03 E0= 0.65871849E+03 EK= 0.65551E+02 SP= -.22E+02 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326718055673E+03 -0.90248E+00 -0.14644E-01 7624 0.263E+01 0.218E-01 RMM: 2 -0.326737913679E+03 -0.19858E-01 -0.14181E-01 4898 0.907E-01 0.107E+00 RMM: 3 -0.326730109324E+03 0.78044E-02 -0.15652E-02 5707 0.258E-01 0.201E-01 RMM: 4 -0.326729726662E+03 0.38266E-03 -0.91457E-04 4825 0.675E-02 0.108E-01 RMM: 5 -0.326729646682E+03 0.79980E-04 -0.13732E-04 3907 0.330E-02 0.789E-02 RMM: 6 -0.326729617629E+03 0.29053E-04 -0.37482E-05 2894 0.181E-02 0.600E-02 RMM: 7 -0.326729593169E+03 0.24460E-04 -0.78686E-05 3839 0.232E-02 0.610E-02 RMM: 8 -0.326729566815E+03 0.26353E-04 -0.30109E-05 2637 0.149E-02 0.283E-02 RMM: 9 -0.326729571436E+03 -0.46209E-05 -0.18470E-05 2497 0.122E-02 744 T= 8251. E= 0.67456008E+03 F= 0.62953942E+03 E0= 0.65779860E+03 EK= 0.67193E+02 SP= -.23E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327553835250E+03 -0.82427E+00 -0.15084E-01 7832 0.266E+01 0.211E-01 RMM: 2 -0.327569065788E+03 -0.15231E-01 -0.13305E-01 4974 0.872E-01 0.756E-01 RMM: 3 -0.327564872270E+03 0.41935E-02 -0.13978E-02 5912 0.234E-01 0.137E-01 RMM: 4 -0.327564785148E+03 0.87122E-04 -0.78209E-04 4726 0.675E-02 0.196E-01 RMM: 5 -0.327564523096E+03 0.26205E-03 -0.17283E-04 3898 0.363E-02 0.693E-02 RMM: 6 -0.327564495645E+03 0.27450E-04 -0.36571E-05 2935 0.183E-02 0.411E-02 RMM: 7 -0.327564486240E+03 0.94047E-05 -0.24802E-05 2557 0.154E-02 745 T= 8435. E= 0.67455187E+03 F= 0.62870450E+03 E0= 0.65695572E+03 EK= 0.68686E+02 SP= -.23E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328201603714E+03 -0.63711E+00 -0.16449E-01 7720 0.270E+01 0.194E-01 RMM: 2 -0.328220082721E+03 -0.18479E-01 -0.15908E-01 4994 0.944E-01 0.825E-01 RMM: 3 -0.328215374120E+03 0.47086E-02 -0.17206E-02 6046 0.251E-01 0.172E-01 RMM: 4 -0.328214961949E+03 0.41217E-03 -0.74959E-04 4826 0.641E-02 0.121E-01 RMM: 5 -0.328214858404E+03 0.10354E-03 -0.11296E-04 3825 0.297E-02 0.827E-02 RMM: 6 -0.328214840169E+03 0.18236E-04 -0.30824E-05 2582 0.165E-02 746 T= 8585. E= 0.67454498E+03 F= 0.62805415E+03 E0= 0.65629569E+03 EK= 0.69912E+02 SP= -.24E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328573981849E+03 -0.35912E+00 -0.16927E-01 7872 0.272E+01 0.283E-01 RMM: 2 -0.328604487649E+03 -0.30506E-01 -0.17145E-01 5038 0.965E-01 0.151E+00 RMM: 3 -0.328588091498E+03 0.16396E-01 -0.19450E-02 5489 0.305E-01 0.226E-01 RMM: 4 -0.328587723539E+03 0.36796E-03 -0.15688E-03 5045 0.802E-02 0.124E-01 RMM: 5 -0.328587611007E+03 0.11253E-03 -0.17529E-04 4145 0.338E-02 0.817E-02 RMM: 6 -0.328587588482E+03 0.22526E-04 -0.34105E-05 2645 0.168E-02 0.706E-02 RMM: 7 -0.328587589239E+03 -0.75717E-06 -0.77701E-05 3636 0.241E-02 747 T= 8690. E= 0.67454098E+03 F= 0.62768140E+03 E0= 0.65591381E+03 EK= 0.70767E+02 SP= -.24E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328610194403E+03 -0.22606E-01 -0.17516E-01 7960 0.275E+01 0.316E-01 RMM: 2 -0.328640718419E+03 -0.30524E-01 -0.19421E-01 4981 0.103E+00 0.142E+00 RMM: 3 -0.328626233927E+03 0.14484E-01 -0.21734E-02 5689 0.310E-01 0.282E-01 RMM: 4 -0.328625659914E+03 0.57401E-03 -0.20083E-03 5147 0.102E-01 0.190E-01 RMM: 5 -0.328625447514E+03 0.21240E-03 -0.31046E-04 3899 0.428E-02 0.118E-01 RMM: 6 -0.328625364463E+03 0.83050E-04 -0.61827E-05 3394 0.224E-02 0.490E-02 RMM: 7 -0.328625362548E+03 0.19153E-05 -0.36895E-05 2787 0.176E-02 748 T= 8741. E= 0.67454000E+03 F= 0.62764363E+03 E0= 0.65586571E+03 EK= 0.71182E+02 SP= -.24E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328300217062E+03 0.32515E+00 -0.18248E-01 8288 0.275E+01 0.237E-01 RMM: 2 -0.328326562159E+03 -0.26345E-01 -0.20504E-01 5016 0.103E+00 0.109E+00 RMM: 3 -0.328317758728E+03 0.88034E-02 -0.21008E-02 6051 0.281E-01 0.199E-01 RMM: 4 -0.328317235920E+03 0.52281E-03 -0.10577E-03 4843 0.741E-02 0.133E-01 RMM: 5 -0.328317117054E+03 0.11887E-03 -0.15488E-04 4000 0.330E-02 0.897E-02 RMM: 6 -0.328317085882E+03 0.31172E-04 -0.39967E-05 2935 0.188E-02 0.695E-02 RMM: 7 -0.328317065552E+03 0.20330E-04 -0.10828E-04 3910 0.249E-02 0.824E-02 RMM: 8 -0.328317018371E+03 0.47181E-04 -0.58381E-05 3182 0.197E-02 0.326E-02 RMM: 9 -0.328317021318E+03 -0.29467E-05 -0.22910E-05 2522 0.135E-02 749 T= 8736. E= 0.67454250E+03 F= 0.62795197E+03 E0= 0.65616517E+03 EK= 0.71140E+02 SP= -.25E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327684300627E+03 0.63272E+00 -0.19262E-01 8256 0.275E+01 0.266E-01 RMM: 2 -0.327712866389E+03 -0.28566E-01 -0.22736E-01 4938 0.107E+00 0.109E+00 RMM: 3 -0.327703469457E+03 0.93969E-02 -0.23382E-02 6075 0.299E-01 0.190E-01 RMM: 4 -0.327703081565E+03 0.38789E-03 -0.13406E-03 4954 0.853E-02 0.202E-01 RMM: 5 -0.327702822832E+03 0.25873E-03 -0.23337E-04 3931 0.392E-02 0.964E-02 RMM: 6 -0.327702765968E+03 0.56864E-04 -0.53310E-05 3228 0.214E-02 0.439E-02 RMM: 7 -0.327702761700E+03 0.42680E-05 -0.21540E-05 2532 0.138E-02 750 T= 8679. E= 0.67454739E+03 F= 0.62856623E+03 E0= 0.65677084E+03 EK= 0.70679E+02 SP= -.25E+02 SK= 0.96E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326843438695E+03 0.85933E+00 -0.19864E-01 8320 0.273E+01 0.202E-01 RMM: 2 -0.326868296089E+03 -0.24857E-01 -0.21991E-01 5117 0.104E+00 0.819E-01 RMM: 3 -0.326862380198E+03 0.59159E-02 -0.19965E-02 6366 0.271E-01 0.179E-01 RMM: 4 -0.326861871561E+03 0.50864E-03 -0.81481E-04 4830 0.672E-02 0.118E-01 RMM: 5 -0.326861783126E+03 0.88435E-04 -0.11637E-04 3949 0.309E-02 0.810E-02 RMM: 6 -0.326861766444E+03 0.16682E-04 -0.31446E-05 2589 0.169E-02 751 T= 8581. E= 0.67455490E+03 F= 0.62940722E+03 E0= 0.65760588E+03 EK= 0.69882E+02 SP= -.25E+02 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325880099463E+03 0.98168E+00 -0.21302E-01 8248 0.271E+01 0.286E-01 RMM: 2 -0.325919413802E+03 -0.39314E-01 -0.24203E-01 5091 0.109E+00 0.158E+00 RMM: 3 -0.325900437091E+03 0.18977E-01 -0.23357E-02 5547 0.326E-01 0.246E-01 RMM: 4 -0.325899888824E+03 0.54827E-03 -0.17324E-03 5226 0.840E-02 0.117E-01 RMM: 5 -0.325899798311E+03 0.90514E-04 -0.18362E-04 4465 0.337E-02 0.879E-02 RMM: 6 -0.325899768040E+03 0.30270E-04 -0.33272E-05 2680 0.170E-02 0.751E-02 RMM: 7 -0.325899784727E+03 -0.16687E-04 -0.12504E-04 3903 0.285E-02 752 T= 8456. E= 0.67456201E+03 F= 0.63036920E+03 E0= 0.65856540E+03 EK= 0.68859E+02 SP= -.25E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324909165561E+03 0.99060E+00 -0.20200E-01 8352 0.269E+01 0.385E-01 RMM: 2 -0.324952003550E+03 -0.42838E-01 -0.22187E-01 4937 0.109E+00 0.181E+00 RMM: 3 -0.324927395320E+03 0.24608E-01 -0.25104E-02 5445 0.362E-01 0.443E-01 RMM: 4 -0.324925917574E+03 0.14777E-02 -0.29674E-03 5346 0.122E-01 0.126E-01 RMM: 5 -0.324926020880E+03 -0.10331E-03 -0.40856E-04 4046 0.424E-02 0.182E-01 RMM: 6 -0.324925791078E+03 0.22980E-03 -0.10606E-04 3753 0.290E-02 0.433E-02 RMM: 7 -0.324925798518E+03 -0.74400E-05 -0.32850E-05 2885 0.163E-02 753 T= 8317. E= 0.67456829E+03 F= 0.63134319E+03 E0= 0.65954163E+03 EK= 0.67727E+02 SP= -.25E+02 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324012447372E+03 0.91334E+00 -0.19383E-01 8160 0.267E+01 0.254E-01 RMM: 2 -0.324045735857E+03 -0.33288E-01 -0.23231E-01 5022 0.110E+00 0.132E+00 RMM: 3 -0.324032399520E+03 0.13336E-01 -0.23163E-02 5806 0.312E-01 0.259E-01 RMM: 4 -0.324031692898E+03 0.70662E-03 -0.14217E-03 5057 0.830E-02 0.100E-01 RMM: 5 -0.324031634593E+03 0.58305E-04 -0.18690E-04 4525 0.316E-02 0.887E-02 RMM: 6 -0.324031593668E+03 0.40924E-04 -0.30308E-05 2649 0.166E-02 0.643E-02 RMM: 7 -0.324031596979E+03 -0.33108E-05 -0.52184E-05 3182 0.197E-02 754 T= 8177. E= 0.67457329E+03 F= 0.63223739E+03 E0= 0.66044468E+03 EK= 0.66589E+02 SP= -.24E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323267938393E+03 0.76366E+00 -0.17150E-01 8168 0.265E+01 0.226E-01 RMM: 2 -0.323294135566E+03 -0.26197E-01 -0.20469E-01 4984 0.104E+00 0.102E+00 RMM: 3 -0.323285834054E+03 0.83015E-02 -0.21096E-02 5741 0.296E-01 0.233E-01 RMM: 4 -0.323285258609E+03 0.57545E-03 -0.12048E-03 5019 0.760E-02 0.936E-02 RMM: 5 -0.323285218288E+03 0.40321E-04 -0.16346E-04 4143 0.338E-02 0.845E-02 RMM: 6 -0.323285177241E+03 0.41047E-04 -0.34827E-05 2860 0.179E-02 0.513E-02 RMM: 7 -0.323285178941E+03 -0.16995E-05 -0.27382E-05 2584 0.162E-02 755 T= 8046. E= 0.67457546E+03 F= 0.63298381E+03 E0= 0.66120722E+03 EK= 0.65519E+02 SP= -.24E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322702271404E+03 0.58291E+00 -0.16492E-01 7976 0.263E+01 0.216E-01 RMM: 2 -0.322727615957E+03 -0.25345E-01 -0.20761E-01 4985 0.103E+00 0.935E-01 RMM: 3 -0.322720365087E+03 0.72509E-02 -0.20958E-02 5867 0.285E-01 0.238E-01 RMM: 4 -0.322719752302E+03 0.61278E-03 -0.11413E-03 4943 0.763E-02 0.102E-01 RMM: 5 -0.322719691206E+03 0.61096E-04 -0.15345E-04 4169 0.316E-02 0.834E-02 RMM: 6 -0.322719655022E+03 0.36185E-04 -0.30912E-05 2691 0.168E-02 0.562E-02 RMM: 7 -0.322719654454E+03 0.56760E-06 -0.40173E-05 2855 0.184E-02 756 T= 7928. E= 0.67457580E+03 F= 0.63354933E+03 E0= 0.66179721E+03 EK= 0.64561E+02 SP= -.24E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322324183643E+03 0.39547E+00 -0.15327E-01 7760 0.261E+01 0.241E-01 RMM: 2 -0.322349953205E+03 -0.25770E-01 -0.18110E-01 4885 0.984E-01 0.116E+00 RMM: 3 -0.322339589900E+03 0.10363E-01 -0.19872E-02 5680 0.295E-01 0.189E-01 RMM: 4 -0.322339230962E+03 0.35894E-03 -0.12511E-03 5099 0.739E-02 0.106E-01 RMM: 5 -0.322339176042E+03 0.54921E-04 -0.15687E-04 4111 0.329E-02 0.853E-02 RMM: 6 -0.322339136514E+03 0.39528E-04 -0.35933E-05 2854 0.179E-02 0.520E-02 RMM: 7 -0.322339142691E+03 -0.61770E-05 -0.26015E-05 2584 0.158E-02 757 T= 7825. E= 0.67457516E+03 F= 0.63392985E+03 E0= 0.66220947E+03 EK= 0.63726E+02 SP= -.23E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322116793898E+03 0.22234E+00 -0.13652E-01 7920 0.259E+01 0.218E-01 RMM: 2 -0.322136191192E+03 -0.19397E-01 -0.15094E-01 4894 0.903E-01 0.910E-01 RMM: 3 -0.322129815293E+03 0.63759E-02 -0.16437E-02 5806 0.264E-01 0.224E-01 RMM: 4 -0.322129342238E+03 0.47306E-03 -0.98276E-04 4866 0.696E-02 0.101E-01 RMM: 5 -0.322129287600E+03 0.54639E-04 -0.13566E-04 3982 0.306E-02 0.830E-02 RMM: 6 -0.322129251346E+03 0.36253E-04 -0.29794E-05 2614 0.163E-02 0.509E-02 RMM: 7 -0.322129254118E+03 -0.27716E-05 -0.27882E-05 2616 0.161E-02 758 T= 7737. E= 0.67457415E+03 F= 0.63413974E+03 E0= 0.66245680E+03 EK= 0.63006E+02 SP= -.23E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322054306253E+03 0.74945E-01 -0.12739E-01 7648 0.257E+01 0.223E-01 RMM: 2 -0.322074688154E+03 -0.20382E-01 -0.14899E-01 4804 0.913E-01 0.102E+00 RMM: 3 -0.322067041318E+03 0.76468E-02 -0.17075E-02 5790 0.267E-01 0.174E-01 RMM: 4 -0.322066707889E+03 0.33343E-03 -0.96707E-04 4919 0.681E-02 0.113E-01 RMM: 5 -0.322066649035E+03 0.58854E-04 -0.14054E-04 3893 0.327E-02 0.847E-02 RMM: 6 -0.322066606890E+03 0.42144E-04 -0.37769E-05 2926 0.181E-02 0.441E-02 RMM: 7 -0.322066606402E+03 0.48792E-06 -0.29765E-05 2575 0.168E-02 759 T= 7660. E= 0.67457284E+03 F= 0.63420238E+03 E0= 0.66256056E+03 EK= 0.62382E+02 SP= -.23E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322112251421E+03 -0.45645E-01 -0.12722E-01 7736 0.255E+01 0.201E-01 RMM: 2 -0.322132082937E+03 -0.19832E-01 -0.16077E-01 4841 0.925E-01 0.869E-01 RMM: 3 -0.322126250893E+03 0.58320E-02 -0.17841E-02 5972 0.256E-01 0.186E-01 RMM: 4 -0.322125828845E+03 0.42205E-03 -0.89002E-04 4799 0.687E-02 0.118E-01 RMM: 5 -0.322125740099E+03 0.88746E-04 -0.13582E-04 3924 0.309E-02 0.793E-02 RMM: 6 -0.322125707849E+03 0.32249E-04 -0.32281E-05 2728 0.170E-02 0.487E-02 RMM: 7 -0.322125706863E+03 0.98644E-06 -0.26018E-05 2559 0.155E-02 760 T= 7593. E= 0.67457248E+03 F= 0.63414328E+03 E0= 0.66254311E+03 EK= 0.61834E+02 SP= -.22E+02 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322279176625E+03 -0.15347E+00 -0.13114E-01 7840 0.254E+01 0.206E-01 RMM: 2 -0.322299525056E+03 -0.20348E-01 -0.16286E-01 4896 0.927E-01 0.903E-01 RMM: 3 -0.322293319731E+03 0.62053E-02 -0.18056E-02 6015 0.254E-01 0.184E-01 RMM: 4 -0.322292863353E+03 0.45638E-03 -0.86489E-04 4867 0.670E-02 0.107E-01 RMM: 5 -0.322292800407E+03 0.62946E-04 -0.12791E-04 3915 0.302E-02 0.789E-02 RMM: 6 -0.322292770617E+03 0.29790E-04 -0.31681E-05 2708 0.169E-02 0.497E-02 RMM: 7 -0.322292770760E+03 -0.14310E-06 -0.32881E-05 2629 0.172E-02 761 T= 7534. E= 0.67457271E+03 F= 0.63397622E+03 E0= 0.66241580E+03 EK= 0.61351E+02 SP= -.21E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322554240510E+03 -0.26147E+00 -0.12863E-01 7960 0.252E+01 0.199E-01 RMM: 2 -0.322573854636E+03 -0.19614E-01 -0.15845E-01 5128 0.879E-01 0.885E-01 RMM: 3 -0.322567544601E+03 0.63100E-02 -0.15141E-02 6074 0.232E-01 0.177E-01 RMM: 4 -0.322567205247E+03 0.33935E-03 -0.80318E-04 4727 0.653E-02 0.132E-01 RMM: 5 -0.322567083139E+03 0.12211E-03 -0.12568E-04 3782 0.288E-02 0.758E-02 RMM: 6 -0.322567059480E+03 0.23659E-04 -0.30066E-05 2758 0.166E-02 0.533E-02 RMM: 7 -0.322567055508E+03 0.39717E-05 -0.31485E-05 2631 0.162E-02 762 T= 7483. E= 0.67457320E+03 F= 0.63370193E+03 E0= 0.66217633E+03 EK= 0.60935E+02 SP= -.21E+02 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322943018816E+03 -0.37596E+00 -0.12856E-01 8368 0.250E+01 0.195E-01 RMM: 2 -0.322961466219E+03 -0.18447E-01 -0.15170E-01 5253 0.847E-01 0.839E-01 RMM: 3 -0.322955522248E+03 0.59440E-02 -0.13693E-02 6103 0.225E-01 0.172E-01 RMM: 4 -0.322955218718E+03 0.30353E-03 -0.74347E-04 4793 0.601E-02 0.114E-01 RMM: 5 -0.322955132487E+03 0.86231E-04 -0.10904E-04 3753 0.263E-02 0.770E-02 RMM: 6 -0.322955109628E+03 0.22859E-04 -0.28037E-05 2639 0.162E-02 0.563E-02 RMM: 7 -0.322955102640E+03 0.69878E-05 -0.43575E-05 2876 0.182E-02 763 T= 7441. E= 0.67457363E+03 F= 0.63331389E+03 E0= 0.66181618E+03 EK= 0.60593E+02 SP= -.20E+02 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323453536541E+03 -0.49843E+00 -0.13056E-01 8552 0.249E+01 0.195E-01 RMM: 2 -0.323471314457E+03 -0.17778E-01 -0.14288E-01 5450 0.799E-01 0.862E-01 RMM: 3 -0.323464887324E+03 0.64271E-02 -0.10760E-02 6185 0.202E-01 0.181E-01 RMM: 4 -0.323464617579E+03 0.26974E-03 -0.69071E-04 4670 0.594E-02 0.122E-01 RMM: 5 -0.323464513650E+03 0.10393E-03 -0.10714E-04 3682 0.253E-02 0.755E-02 RMM: 6 -0.323464491301E+03 0.22349E-04 -0.24900E-05 2609 0.155E-02 0.529E-02 RMM: 7 -0.323464488067E+03 0.32341E-05 -0.32619E-05 2652 0.157E-02 764 T= 7409. E= 0.67457327E+03 F= 0.63280450E+03 E0= 0.66132593E+03 EK= 0.60334E+02 SP= -.20E+02 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324083138566E+03 -0.61865E+00 -0.13826E-01 8696 0.249E+01 0.180E-01 RMM: 2 -0.324100414867E+03 -0.17276E-01 -0.14895E-01 5385 0.807E-01 0.742E-01 RMM: 3 -0.324095030638E+03 0.53842E-02 -0.10969E-02 6140 0.207E-01 0.167E-01 RMM: 4 -0.324094797305E+03 0.23333E-03 -0.65979E-04 4724 0.553E-02 0.112E-01 RMM: 5 -0.324094702472E+03 0.94832E-04 -0.90820E-05 3632 0.239E-02 0.709E-02 RMM: 6 -0.324094682765E+03 0.19707E-04 -0.24112E-05 2570 0.151E-02 765 T= 7387. E= 0.67457122E+03 F= 0.63217431E+03 E0= 0.66070561E+03 EK= 0.60158E+02 SP= -.19E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324816520965E+03 -0.72182E+00 -0.14357E-01 8680 0.248E+01 0.212E-01 RMM: 2 -0.324838485358E+03 -0.21964E-01 -0.15291E-01 5397 0.817E-01 0.110E+00 RMM: 3 -0.324828540764E+03 0.99446E-02 -0.11980E-02 5719 0.232E-01 0.186E-01 RMM: 4 -0.324828268916E+03 0.27185E-03 -0.97232E-04 5132 0.601E-02 0.935E-02 RMM: 5 -0.324828199426E+03 0.69490E-04 -0.88376E-05 3824 0.243E-02 0.755E-02 RMM: 6 -0.324828184064E+03 0.15361E-04 -0.23102E-05 2562 0.143E-02 766 T= 7374. E= 0.67456734E+03 F= 0.63144081E+03 E0= 0.65997299E+03 EK= 0.60046E+02 SP= -.18E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325619325402E+03 -0.79113E+00 -0.15012E-01 8608 0.249E+01 0.350E-01 RMM: 2 -0.325660220042E+03 -0.40895E-01 -0.16111E-01 5122 0.892E-01 0.198E+00 RMM: 3 -0.325631951843E+03 0.28268E-01 -0.19008E-02 5434 0.321E-01 0.382E-01 RMM: 4 -0.325630889812E+03 0.10620E-02 -0.22570E-03 5104 0.990E-02 0.994E-02 RMM: 5 -0.325630857735E+03 0.32077E-04 -0.28779E-04 4692 0.318E-02 0.104E-01 RMM: 6 -0.325630789499E+03 0.68235E-04 -0.31173E-05 2700 0.172E-02 0.596E-02 RMM: 7 -0.325630799338E+03 -0.98392E-05 -0.35365E-05 2932 0.169E-02 767 T= 7364. E= 0.67456215E+03 F= 0.63063819E+03 E0= 0.65916369E+03 EK= 0.59966E+02 SP= -.17E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326442311763E+03 -0.81152E+00 -0.15076E-01 8504 0.249E+01 0.314E-01 RMM: 2 -0.326476611920E+03 -0.34300E-01 -0.17096E-01 4992 0.909E-01 0.168E+00 RMM: 3 -0.326455910874E+03 0.20701E-01 -0.18755E-02 5471 0.308E-01 0.327E-01 RMM: 4 -0.326455243171E+03 0.66770E-03 -0.21150E-03 5167 0.971E-02 0.147E-01 RMM: 5 -0.326455248949E+03 -0.57782E-05 -0.29499E-04 3910 0.395E-02 0.156E-01 RMM: 6 -0.326455084448E+03 0.16450E-03 -0.88602E-05 3616 0.268E-02 0.421E-02 RMM: 7 -0.326455086831E+03 -0.23828E-05 -0.24737E-05 2627 0.144E-02 768 T= 7352. E= 0.67455744E+03 F= 0.62981390E+03 E0= 0.65832638E+03 EK= 0.59871E+02 SP= -.16E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327236952034E+03 -0.78187E+00 -0.14929E-01 8512 0.250E+01 0.262E-01 RMM: 2 -0.327266856861E+03 -0.29905E-01 -0.17537E-01 5038 0.917E-01 0.145E+00 RMM: 3 -0.327251190235E+03 0.15667E-01 -0.17785E-02 5680 0.282E-01 0.250E-01 RMM: 4 -0.327250694210E+03 0.49603E-03 -0.14096E-03 4940 0.773E-02 0.111E-01 RMM: 5 -0.327250618581E+03 0.75629E-04 -0.17415E-04 4012 0.318E-02 0.942E-02 RMM: 6 -0.327250563170E+03 0.55411E-04 -0.37953E-05 2941 0.182E-02 0.549E-02 RMM: 7 -0.327250559339E+03 0.38313E-05 -0.27909E-05 2596 0.158E-02 769 T= 7333. E= 0.67455318E+03 F= 0.62901843E+03 E0= 0.65751290E+03 EK= 0.59714E+02 SP= -.16E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327963087309E+03 -0.71252E+00 -0.15051E-01 8272 0.250E+01 0.205E-01 RMM: 2 -0.327984785385E+03 -0.21698E-01 -0.17207E-01 4990 0.917E-01 0.920E-01 RMM: 3 -0.327977744189E+03 0.70412E-02 -0.17475E-02 5894 0.258E-01 0.180E-01 RMM: 4 -0.327977356472E+03 0.38772E-03 -0.95094E-04 4922 0.670E-02 0.114E-01 RMM: 5 -0.327977282821E+03 0.73651E-04 -0.12590E-04 3814 0.311E-02 0.728E-02 RMM: 6 -0.327977253792E+03 0.29029E-04 -0.29978E-05 2700 0.162E-02 0.510E-02 RMM: 7 -0.327977253738E+03 0.54135E-07 -0.34913E-05 2714 0.179E-02 770 T= 7301. E= 0.67455052E+03 F= 0.62829174E+03 E0= 0.65676656E+03 EK= 0.59456E+02 SP= -.15E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328604751179E+03 -0.62750E+00 -0.14781E-01 8096 0.249E+01 0.200E-01 RMM: 2 -0.328623809634E+03 -0.19058E-01 -0.16027E-01 5102 0.880E-01 0.834E-01 RMM: 3 -0.328618152204E+03 0.56574E-02 -0.15707E-02 6020 0.238E-01 0.164E-01 RMM: 4 -0.328617866299E+03 0.28591E-03 -0.85617E-04 4763 0.658E-02 0.147E-01 RMM: 5 -0.328617727361E+03 0.13894E-03 -0.13220E-04 3814 0.301E-02 0.817E-02 RMM: 6 -0.328617691608E+03 0.35754E-04 -0.33580E-05 2883 0.175E-02 0.483E-02 RMM: 7 -0.328617687083E+03 0.45246E-05 -0.31844E-05 2627 0.165E-02 771 T= 7256. E= 0.67454934E+03 F= 0.62765130E+03 E0= 0.65610452E+03 EK= 0.59085E+02 SP= -.14E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329163733688E+03 -0.54604E+00 -0.13794E-01 8088 0.248E+01 0.213E-01 RMM: 2 -0.329182351028E+03 -0.18617E-01 -0.13450E-01 5106 0.814E-01 0.987E-01 RMM: 3 -0.329174826408E+03 0.75246E-02 -0.13426E-02 5909 0.228E-01 0.192E-01 RMM: 4 -0.329174467348E+03 0.35906E-03 -0.82916E-04 4721 0.631E-02 0.109E-01 RMM: 5 -0.329174403896E+03 0.63452E-04 -0.11538E-04 3773 0.283E-02 0.761E-02 RMM: 6 -0.329174376351E+03 0.27546E-04 -0.29090E-05 2731 0.163E-02 0.533E-02 RMM: 7 -0.329174383986E+03 -0.76351E-05 -0.32253E-05 2654 0.168E-02 772 T= 7197. E= 0.67454878E+03 F= 0.62709461E+03 E0= 0.65552590E+03 EK= 0.58606E+02 SP= -.13E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329651868034E+03 -0.47749E+00 -0.13407E-01 8040 0.247E+01 0.201E-01 RMM: 2 -0.329667907607E+03 -0.16040E-01 -0.12533E-01 5000 0.808E-01 0.858E-01 RMM: 3 -0.329662412928E+03 0.54947E-02 -0.13419E-02 5912 0.223E-01 0.168E-01 RMM: 4 -0.329662127445E+03 0.28548E-03 -0.77231E-04 4731 0.617E-02 0.122E-01 RMM: 5 -0.329662049687E+03 0.77757E-04 -0.11654E-04 3761 0.288E-02 0.777E-02 RMM: 6 -0.329662016092E+03 0.33595E-04 -0.29751E-05 2743 0.167E-02 0.380E-02 RMM: 7 -0.329662020825E+03 -0.47324E-05 -0.19231E-05 2513 0.135E-02 773 T= 7127. E= 0.67454871E+03 F= 0.62660697E+03 E0= 0.65501674E+03 EK= 0.58038E+02 SP= -.12E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330084657203E+03 -0.42264E+00 -0.12971E-01 7848 0.245E+01 0.189E-01 RMM: 2 -0.330099558754E+03 -0.14902E-01 -0.11345E-01 5014 0.771E-01 0.851E-01 RMM: 3 -0.330094170759E+03 0.53880E-02 -0.11821E-02 5835 0.212E-01 0.162E-01 RMM: 4 -0.330093891904E+03 0.27885E-03 -0.67810E-04 4742 0.573E-02 0.100E-01 RMM: 5 -0.330093842726E+03 0.49178E-04 -0.10048E-04 3687 0.272E-02 0.721E-02 RMM: 6 -0.330093814100E+03 0.28626E-04 -0.27714E-05 2641 0.161E-02 0.426E-02 RMM: 7 -0.330093820733E+03 -0.66329E-05 -0.28612E-05 2567 0.159E-02 774 T= 7048. E= 0.67454788E+03 F= 0.62617517E+03 E0= 0.65456424E+03 EK= 0.57398E+02 SP= -.11E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330459493296E+03 -0.36568E+00 -0.12508E-01 7968 0.244E+01 0.182E-01 RMM: 2 -0.330472832147E+03 -0.13339E-01 -0.10512E-01 4994 0.745E-01 0.787E-01 RMM: 3 -0.330468257581E+03 0.45746E-02 -0.11160E-02 5878 0.206E-01 0.143E-01 RMM: 4 -0.330468029156E+03 0.22843E-03 -0.63874E-04 4807 0.550E-02 0.995E-02 RMM: 5 -0.330467978860E+03 0.50296E-04 -0.90760E-05 3680 0.256E-02 0.691E-02 RMM: 6 -0.330467954279E+03 0.24582E-04 -0.25088E-05 2569 0.153E-02 0.373E-02 RMM: 7 -0.330467961713E+03 -0.74347E-05 -0.20610E-05 2524 0.138E-02 775 T= 6961. E= 0.67454565E+03 F= 0.62580103E+03 E0= 0.65417069E+03 EK= 0.56689E+02 SP= -.10E+02 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330755142017E+03 -0.28719E+00 -0.12542E-01 8176 0.243E+01 0.164E-01 RMM: 2 -0.330767916696E+03 -0.12775E-01 -0.10639E-01 5164 0.724E-01 0.705E-01 RMM: 3 -0.330764043291E+03 0.38734E-02 -0.10220E-02 6029 0.191E-01 0.141E-01 RMM: 4 -0.330763811639E+03 0.23165E-03 -0.54524E-04 4583 0.524E-02 0.103E-01 RMM: 5 -0.330763749850E+03 0.61789E-04 -0.82020E-05 3554 0.247E-02 0.683E-02 RMM: 6 -0.330763729139E+03 0.20711E-04 -0.24353E-05 2567 0.152E-02 0.445E-02 RMM: 7 -0.330763732289E+03 -0.31501E-05 -0.28643E-05 2622 0.156E-02 776 T= 6864. E= 0.67454316E+03 F= 0.62550526E+03 E0= 0.65385794E+03 EK= 0.55897E+02 SP= -.90E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330943033446E+03 -0.17930E+00 -0.12614E-01 8528 0.242E+01 0.168E-01 RMM: 2 -0.330956328011E+03 -0.13295E-01 -0.11141E-01 5345 0.722E-01 0.710E-01 RMM: 3 -0.330952211436E+03 0.41166E-02 -0.96378E-03 6047 0.187E-01 0.141E-01 RMM: 4 -0.330952003961E+03 0.20747E-03 -0.53931E-04 4621 0.510E-02 0.108E-01 RMM: 5 -0.330951929895E+03 0.74066E-04 -0.76929E-05 3558 0.236E-02 0.655E-02 RMM: 6 -0.330951915949E+03 0.13946E-04 -0.20765E-05 2553 0.138E-02 777 T= 6754. E= 0.67454098E+03 F= 0.62531707E+03 E0= 0.65365643E+03 EK= 0.54999E+02 SP= -.79E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330994703302E+03 -0.42773E-01 -0.13123E-01 8672 0.240E+01 0.221E-01 RMM: 2 -0.331015534500E+03 -0.20831E-01 -0.12973E-01 5287 0.767E-01 0.116E+00 RMM: 3 -0.331005434384E+03 0.10100E-01 -0.12237E-02 5518 0.234E-01 0.215E-01 RMM: 4 -0.331005093582E+03 0.34080E-03 -0.10887E-03 5202 0.626E-02 0.949E-02 RMM: 5 -0.331005041040E+03 0.52542E-04 -0.86221E-05 3683 0.243E-02 0.814E-02 RMM: 6 -0.331005027506E+03 0.13534E-04 -0.20597E-05 2546 0.136E-02 778 T= 6628. E= 0.67454032E+03 F= 0.62526396E+03 E0= 0.65359386E+03 EK= 0.53977E+02 SP= -.69E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330903456889E+03 0.10158E+00 -0.12918E-01 8840 0.239E+01 0.382E-01 RMM: 2 -0.330947442484E+03 -0.43986E-01 -0.13266E-01 5301 0.805E-01 0.220E+00 RMM: 3 -0.330913239341E+03 0.34203E-01 -0.18792E-02 5385 0.329E-01 0.371E-01 RMM: 4 -0.330912254135E+03 0.98521E-03 -0.23047E-03 4929 0.950E-02 0.108E-01 RMM: 5 -0.330912205417E+03 0.48718E-04 -0.25229E-04 4682 0.318E-02 0.101E-01 RMM: 6 -0.330912164340E+03 0.41077E-04 -0.24894E-05 2595 0.151E-02 0.787E-02 RMM: 7 -0.330912195607E+03 -0.31266E-04 -0.55935E-05 3305 0.212E-02 0.107E-01 RMM: 8 -0.330912132384E+03 0.63223E-04 -0.16910E-04 3910 0.258E-02 0.533E-02 RMM: 9 -0.330912117792E+03 0.14592E-04 -0.26414E-05 2664 0.145E-02 779 T= 6487. E= 0.67454030E+03 F= 0.62535687E+03 E0= 0.65368276E+03 EK= 0.52825E+02 SP= -.59E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330666986603E+03 0.24515E+00 -0.13515E-01 8984 0.237E+01 0.306E-01 RMM: 2 -0.330697174724E+03 -0.30188E-01 -0.14324E-01 5323 0.767E-01 0.160E+00 RMM: 3 -0.330677835003E+03 0.19340E-01 -0.14116E-02 5407 0.269E-01 0.277E-01 RMM: 4 -0.330677532360E+03 0.30264E-03 -0.20314E-03 4928 0.982E-02 0.206E-01 RMM: 5 -0.330677428520E+03 0.10384E-03 -0.31994E-04 3925 0.443E-02 0.170E-01 RMM: 6 -0.330677232737E+03 0.19578E-03 -0.10663E-04 3753 0.293E-02 0.386E-02 RMM: 7 -0.330677264900E+03 -0.32164E-04 -0.42499E-05 3065 0.184E-02 0.777E-02 RMM: 8 -0.330677232551E+03 0.32349E-04 -0.32312E-05 2714 0.181E-02 0.244E-02 RMM: 9 -0.330677231181E+03 0.13701E-05 -0.87508E-06 2461 0.851E-03 780 T= 6331. E= 0.67454075E+03 F= 0.62559176E+03 E0= 0.65391626E+03 EK= 0.51557E+02 SP= -.48E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330302324621E+03 0.37491E+00 -0.14041E-01 9032 0.235E+01 0.214E-01 RMM: 2 -0.330323699225E+03 -0.21375E-01 -0.14177E-01 5313 0.777E-01 0.112E+00 RMM: 3 -0.330313787961E+03 0.99113E-02 -0.12553E-02 5648 0.229E-01 0.203E-01 RMM: 4 -0.330313433333E+03 0.35463E-03 -0.99622E-04 5036 0.626E-02 0.812E-02 RMM: 5 -0.330313388131E+03 0.45201E-04 -0.99389E-05 3886 0.240E-02 0.721E-02 RMM: 6 -0.330313366613E+03 0.21518E-04 -0.20071E-05 2552 0.131E-02 0.558E-02 RMM: 7 -0.330313371283E+03 -0.46693E-05 -0.39022E-05 2928 0.176E-02 781 T= 6163. E= 0.67454081E+03 F= 0.62595562E+03 E0= 0.65428127E+03 EK= 0.50191E+02 SP= -.38E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329824077228E+03 0.48929E+00 -0.13843E-01 8944 0.233E+01 0.167E-01 RMM: 2 -0.329840204888E+03 -0.16128E-01 -0.13333E-01 5729 0.716E-01 0.743E-01 RMM: 3 -0.329834737865E+03 0.54670E-02 -0.79732E-03 5756 0.183E-01 0.161E-01 RMM: 4 -0.329834533043E+03 0.20482E-03 -0.63705E-04 4629 0.515E-02 0.899E-02 RMM: 5 -0.329834484096E+03 0.48946E-04 -0.69769E-05 3492 0.223E-02 0.618E-02 RMM: 6 -0.329834471384E+03 0.12713E-04 -0.19139E-05 2551 0.135E-02 782 T= 5986. E= 0.67454066E+03 F= 0.62643452E+03 E0= 0.65476357E+03 EK= 0.48750E+02 SP= -.27E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329239443686E+03 0.59504E+00 -0.14370E-01 8872 0.230E+01 0.235E-01 RMM: 2 -0.329265939293E+03 -0.26496E-01 -0.15558E-01 5270 0.820E-01 0.134E+00 RMM: 3 -0.329252265896E+03 0.13673E-01 -0.13542E-02 5500 0.248E-01 0.224E-01 RMM: 4 -0.329251875284E+03 0.39061E-03 -0.12199E-03 5126 0.674E-02 0.909E-02 RMM: 5 -0.329251828192E+03 0.47092E-04 -0.10766E-04 3968 0.258E-02 0.784E-02 RMM: 6 -0.329251813127E+03 0.15065E-04 -0.23619E-05 2560 0.143E-02 783 T= 5802. E= 0.67454057E+03 F= 0.62701718E+03 E0= 0.65534953E+03 EK= 0.47252E+02 SP= -.17E+01 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328569724058E+03 0.68210E+00 -0.13903E-01 8848 0.228E+01 0.392E-01 RMM: 2 -0.328615642726E+03 -0.45919E-01 -0.14624E-01 5270 0.827E-01 0.222E+00 RMM: 3 -0.328581097679E+03 0.34545E-01 -0.19486E-02 5353 0.334E-01 0.390E-01 RMM: 4 -0.328579959107E+03 0.11386E-02 -0.24033E-03 5016 0.991E-02 0.104E-01 RMM: 5 -0.328579929681E+03 0.29426E-04 -0.27679E-04 4347 0.336E-02 0.100E-01 RMM: 6 -0.328579878209E+03 0.51473E-04 -0.32603E-05 2829 0.172E-02 0.628E-02 RMM: 7 -0.328579908607E+03 -0.30398E-04 -0.39750E-05 3042 0.182E-02 0.904E-02 RMM: 8 -0.328579878787E+03 0.29820E-04 -0.10196E-04 3881 0.211E-02 0.521E-02 RMM: 9 -0.328579862845E+03 0.15942E-04 -0.18465E-05 2586 0.122E-02 784 T= 5614. E= 0.67454115E+03 F= 0.62768913E+03 E0= 0.65602354E+03 EK= 0.45717E+02 SP= -.74E+00 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327833258576E+03 0.74662E+00 -0.13510E-01 8888 0.225E+01 0.356E-01 RMM: 2 -0.327868490183E+03 -0.35232E-01 -0.15032E-01 5206 0.818E-01 0.179E+00 RMM: 3 -0.327845036587E+03 0.23454E-01 -0.16670E-02 5369 0.300E-01 0.369E-01 RMM: 4 -0.327844122139E+03 0.91445E-03 -0.22261E-03 5000 0.101E-01 0.143E-01 RMM: 5 -0.327844175481E+03 -0.53342E-04 -0.34432E-04 3941 0.441E-02 0.174E-01 RMM: 6 -0.327843982233E+03 0.19325E-03 -0.11322E-04 3785 0.303E-02 0.505E-02 RMM: 7 -0.327843986109E+03 -0.38769E-05 -0.30814E-05 2836 0.160E-02 785 T= 5425. E= 0.67454404E+03 F= 0.62842500E+03 E0= 0.65676056E+03 EK= 0.44178E+02 SP= 0.21E+00 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327081925884E+03 0.76206E+00 -0.12604E-01 8888 0.221E+01 0.215E-01 RMM: 2 -0.327104070402E+03 -0.22145E-01 -0.13650E-01 5476 0.771E-01 0.119E+00 RMM: 3 -0.327093238028E+03 0.10832E-01 -0.11383E-02 5494 0.225E-01 0.208E-01 RMM: 4 -0.327092899995E+03 0.33803E-03 -0.10033E-03 4910 0.636E-02 0.899E-02 RMM: 5 -0.327092858431E+03 0.41564E-04 -0.11272E-04 3815 0.262E-02 0.754E-02 RMM: 6 -0.327092830183E+03 0.28248E-04 -0.24109E-05 2580 0.149E-02 0.518E-02 RMM: 7 -0.327092843094E+03 -0.12911E-04 -0.35276E-05 2876 0.170E-02 786 T= 5242. E= 0.67454843E+03 F= 0.62917615E+03 E0= 0.65751171E+03 EK= 0.42686E+02 SP= 0.11E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326390085838E+03 0.70274E+00 -0.11682E-01 8888 0.217E+01 0.205E-01 RMM: 2 -0.326407745057E+03 -0.17659E-01 -0.12717E-01 5323 0.743E-01 0.934E-01 RMM: 3 -0.326400525446E+03 0.72196E-02 -0.10956E-02 5560 0.217E-01 0.172E-01 RMM: 4 -0.326400294323E+03 0.23112E-03 -0.86541E-04 5017 0.589E-02 0.105E-01 RMM: 5 -0.326400227713E+03 0.66609E-04 -0.99262E-05 3714 0.264E-02 0.745E-02 RMM: 6 -0.326400196674E+03 0.31040E-04 -0.27038E-05 2700 0.158E-02 0.448E-02 RMM: 7 -0.326400199527E+03 -0.28532E-05 -0.28994E-05 2611 0.163E-02 787 T= 5074. E= 0.67455367E+03 F= 0.62986879E+03 E0= 0.65820233E+03 EK= 0.41316E+02 SP= 0.20E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325842441694E+03 0.55775E+00 -0.11275E-01 8704 0.214E+01 0.173E-01 RMM: 2 -0.325858626400E+03 -0.16185E-01 -0.12953E-01 5236 0.759E-01 0.796E-01 RMM: 3 -0.325853390558E+03 0.52358E-02 -0.11480E-02 5911 0.202E-01 0.154E-01 RMM: 4 -0.325853125646E+03 0.26491E-03 -0.65263E-04 4737 0.554E-02 0.108E-01 RMM: 5 -0.325853053826E+03 0.71820E-04 -0.91183E-05 3627 0.253E-02 0.652E-02 RMM: 6 -0.325853037223E+03 0.16603E-04 -0.23843E-05 2580 0.148E-02 788 T= 4931. E= 0.67455917E+03 F= 0.63041595E+03 E0= 0.65874642E+03 EK= 0.40154E+02 SP= 0.28E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325523836434E+03 0.32922E+00 -0.10142E-01 8552 0.210E+01 0.257E-01 RMM: 2 -0.325550057832E+03 -0.26221E-01 -0.12119E-01 5167 0.738E-01 0.150E+00 RMM: 3 -0.325533692765E+03 0.16365E-01 -0.13441E-02 5440 0.253E-01 0.234E-01 RMM: 4 -0.325533282109E+03 0.41066E-03 -0.13423E-03 5088 0.689E-02 0.921E-02 RMM: 5 -0.325533230462E+03 0.51647E-04 -0.11222E-04 3947 0.259E-02 0.773E-02 RMM: 6 -0.325533213302E+03 0.17160E-04 -0.21897E-05 2558 0.139E-02 789 T= 4823. E= 0.67456339E+03 F= 0.63073578E+03 E0= 0.65906242E+03 EK= 0.39279E+02 SP= 0.35E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325493935288E+03 0.39295E-01 -0.99284E-02 8784 0.208E+01 0.343E-01 RMM: 2 -0.325529745426E+03 -0.35810E-01 -0.11911E-01 5158 0.758E-01 0.195E+00 RMM: 3 -0.325503172642E+03 0.26573E-01 -0.16948E-02 5393 0.305E-01 0.350E-01 RMM: 4 -0.325502275452E+03 0.89719E-03 -0.19598E-03 4831 0.890E-02 0.949E-02 RMM: 5 -0.325502241911E+03 0.33542E-04 -0.22311E-04 4513 0.305E-02 0.880E-02 RMM: 6 -0.325502206913E+03 0.34998E-04 -0.24166E-05 2611 0.146E-02 0.668E-02 RMM: 7 -0.325502244291E+03 -0.37379E-04 -0.48213E-05 3150 0.200E-02 0.101E-01 RMM: 8 -0.325502182988E+03 0.61303E-04 -0.11763E-04 3910 0.221E-02 0.401E-02 RMM: 9 -0.325502174997E+03 0.79911E-05 -0.16692E-05 2563 0.120E-02 790 T= 4758. E= 0.67456577E+03 F= 0.63076681E+03 E0= 0.65908907E+03 EK= 0.38748E+02 SP= 0.42E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325783031849E+03 -0.28085E+00 -0.10460E-01 8944 0.206E+01 0.309E-01 RMM: 2 -0.325811790219E+03 -0.28758E-01 -0.12374E-01 5067 0.736E-01 0.160E+00 RMM: 3 -0.325792695811E+03 0.19094E-01 -0.13700E-02 5408 0.263E-01 0.262E-01 RMM: 4 -0.325792384866E+03 0.31094E-03 -0.18542E-03 4767 0.933E-02 0.184E-01 RMM: 5 -0.325792312233E+03 0.72633E-04 -0.29008E-04 3975 0.407E-02 0.157E-01 RMM: 6 -0.325792147415E+03 0.16482E-03 -0.88555E-05 3601 0.274E-02 0.382E-02 RMM: 7 -0.325792159765E+03 -0.12351E-04 -0.28701E-05 2750 0.159E-02 791 T= 4739. E= 0.67456582E+03 F= 0.63047683E+03 E0= 0.65879540E+03 EK= 0.38589E+02 SP= 0.48E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326391328762E+03 -0.59918E+00 -0.11212E-01 9088 0.206E+01 0.184E-01 RMM: 2 -0.326408202108E+03 -0.16873E-01 -0.11827E-01 5289 0.715E-01 0.947E-01 RMM: 3 -0.326401184957E+03 0.70172E-02 -0.10256E-02 5602 0.205E-01 0.199E-01 RMM: 4 -0.326400853982E+03 0.33097E-03 -0.80809E-04 4914 0.574E-02 0.709E-02 RMM: 5 -0.326400824614E+03 0.29368E-04 -0.87944E-05 3749 0.228E-02 0.618E-02 RMM: 6 -0.326400811938E+03 0.12676E-04 -0.18607E-05 2544 0.128E-02 792 T= 4764. E= 0.67456346E+03 F= 0.62986818E+03 E0= 0.65818385E+03 EK= 0.38796E+02 SP= 0.54E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327283576264E+03 -0.88275E+00 -0.12518E-01 9056 0.207E+01 0.247E-01 RMM: 2 -0.327307651290E+03 -0.24075E-01 -0.13002E-01 5261 0.743E-01 0.135E+00 RMM: 3 -0.327294071925E+03 0.13579E-01 -0.12393E-02 5479 0.238E-01 0.218E-01 RMM: 4 -0.327293689459E+03 0.38247E-03 -0.11901E-03 5068 0.658E-02 0.937E-02 RMM: 5 -0.327293642794E+03 0.46664E-04 -0.10792E-04 3911 0.253E-02 0.766E-02 RMM: 6 -0.327293623888E+03 0.18907E-04 -0.23228E-05 2565 0.143E-02 793 T= 4830. E= 0.67455927E+03 F= 0.62897537E+03 E0= 0.65728987E+03 EK= 0.39330E+02 SP= 0.58E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328403581827E+03 -0.11099E+01 -0.13840E-01 8992 0.209E+01 0.388E-01 RMM: 2 -0.328447091001E+03 -0.43509E-01 -0.15453E-01 5157 0.848E-01 0.212E+00 RMM: 3 -0.328415621603E+03 0.31469E-01 -0.20371E-02 5396 0.336E-01 0.421E-01 RMM: 4 -0.328414313583E+03 0.13080E-02 -0.24613E-03 5008 0.101E-01 0.100E-01 RMM: 5 -0.328414292135E+03 0.21449E-04 -0.27541E-04 4194 0.349E-02 0.999E-02 RMM: 6 -0.328414230658E+03 0.61477E-04 -0.33498E-05 2793 0.170E-02 0.595E-02 RMM: 7 -0.328414241632E+03 -0.10975E-04 -0.32071E-05 2791 0.171E-02 794 T= 4928. E= 0.67455370E+03 F= 0.62785475E+03 E0= 0.65617000E+03 EK= 0.40133E+02 SP= 0.63E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329683700549E+03 -0.12695E+01 -0.14603E-01 9016 0.212E+01 0.354E-01 RMM: 2 -0.329722186836E+03 -0.38486E-01 -0.15912E-01 5125 0.838E-01 0.189E+00 RMM: 3 -0.329696431443E+03 0.25755E-01 -0.19086E-02 5408 0.314E-01 0.356E-01 RMM: 4 -0.329695566966E+03 0.86448E-03 -0.22890E-03 5006 0.973E-02 0.128E-01 RMM: 5 -0.329695596155E+03 -0.29189E-04 -0.30057E-04 3942 0.398E-02 0.153E-01 RMM: 6 -0.329695446886E+03 0.14927E-03 -0.91848E-05 3667 0.275E-02 0.461E-02 RMM: 7 -0.329695455197E+03 -0.83104E-05 -0.26906E-05 2707 0.152E-02 795 T= 5051. E= 0.67454830E+03 F= 0.62657353E+03 E0= 0.65489134E+03 EK= 0.41135E+02 SP= 0.66E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331055470373E+03 -0.13600E+01 -0.15534E-01 9040 0.215E+01 0.254E-01 RMM: 2 -0.331081648610E+03 -0.26178E-01 -0.16392E-01 5166 0.847E-01 0.129E+00 RMM: 3 -0.331069105554E+03 0.12543E-01 -0.15635E-02 5615 0.257E-01 0.241E-01 RMM: 4 -0.331068591554E+03 0.51400E-03 -0.12910E-03 4878 0.734E-02 0.105E-01 RMM: 5 -0.331068538809E+03 0.52745E-04 -0.16555E-04 3903 0.317E-02 0.846E-02 RMM: 6 -0.331068496437E+03 0.42372E-04 -0.33971E-05 2896 0.174E-02 0.498E-02 RMM: 7 -0.331068498920E+03 -0.24827E-05 -0.22944E-05 2568 0.145E-02 796 T= 5190. E= 0.67454260E+03 F= 0.62520049E+03 E0= 0.65352314E+03 EK= 0.42266E+02 SP= 0.69E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332453187667E+03 -0.13847E+01 -0.15605E-01 9064 0.218E+01 0.198E-01 RMM: 2 -0.332474570415E+03 -0.21383E-01 -0.16471E-01 5130 0.846E-01 0.952E-01 RMM: 3 -0.332467322321E+03 0.72481E-02 -0.15574E-02 5917 0.235E-01 0.158E-01 RMM: 4 -0.332466973897E+03 0.34842E-03 -0.89264E-04 5030 0.616E-02 0.103E-01 RMM: 5 -0.332466904949E+03 0.68948E-04 -0.11369E-04 3847 0.268E-02 0.677E-02 RMM: 6 -0.332466883379E+03 0.21570E-04 -0.26074E-05 2593 0.150E-02 0.493E-02 RMM: 7 -0.332466886830E+03 -0.34505E-05 -0.31998E-05 2690 0.160E-02 797 T= 5336. E= 0.67453713E+03 F= 0.62380210E+03 E0= 0.65213274E+03 EK= 0.43456E+02 SP= 0.72E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333815648205E+03 -0.13488E+01 -0.16439E-01 8640 0.221E+01 0.187E-01 RMM: 2 -0.333837260386E+03 -0.21612E-01 -0.18287E-01 5120 0.916E-01 0.809E-01 RMM: 3 -0.333831770844E+03 0.54895E-02 -0.17358E-02 6095 0.235E-01 0.158E-01 RMM: 4 -0.333831362552E+03 0.40829E-03 -0.82981E-04 4736 0.652E-02 0.124E-01 RMM: 5 -0.333831268781E+03 0.93772E-04 -0.13378E-04 3806 0.301E-02 0.717E-02 RMM: 6 -0.333831242294E+03 0.26487E-04 -0.30025E-05 2811 0.165E-02 0.455E-02 RMM: 7 -0.333831243209E+03 -0.91534E-06 -0.24848E-05 2605 0.147E-02 798 T= 5482. E= 0.67453253E+03 F= 0.62243775E+03 E0= 0.65078045E+03 EK= 0.44644E+02 SP= 0.74E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335094657069E+03 -0.12634E+01 -0.15832E-01 8600 0.224E+01 0.164E-01 RMM: 2 -0.335114027797E+03 -0.19371E-01 -0.16863E-01 5201 0.857E-01 0.723E-01 RMM: 3 -0.335109269359E+03 0.47584E-02 -0.14745E-02 6061 0.219E-01 0.141E-01 RMM: 4 -0.335108931888E+03 0.33747E-03 -0.67539E-04 4696 0.574E-02 0.109E-01 RMM: 5 -0.335108851644E+03 0.80243E-04 -0.95142E-05 3633 0.263E-02 0.656E-02 RMM: 6 -0.335108835175E+03 0.16470E-04 -0.25923E-05 2584 0.152E-02 799 T= 5621. E= 0.67452813E+03 F= 0.62116015E+03 E0= 0.64951958E+03 EK= 0.45775E+02 SP= 0.75E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336239371278E+03 -0.11305E+01 -0.15568E-01 8440 0.227E+01 0.194E-01 RMM: 2 -0.336262617176E+03 -0.23246E-01 -0.16462E-01 5135 0.855E-01 0.107E+00 RMM: 3 -0.336253451633E+03 0.91655E-02 -0.15219E-02 5673 0.242E-01 0.200E-01 RMM: 4 -0.336253033708E+03 0.41793E-03 -0.10042E-03 5007 0.647E-02 0.879E-02 RMM: 5 -0.336252989969E+03 0.43738E-04 -0.10969E-04 4010 0.260E-02 0.723E-02 RMM: 6 -0.336252970995E+03 0.18974E-04 -0.23577E-05 2564 0.146E-02 800 T= 5747. E= 0.67452417E+03 F= 0.62001602E+03 E0= 0.64839685E+03 EK= 0.46798E+02 SP= 0.77E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337213333357E+03 -0.96034E+00 -0.14284E-01 8744 0.230E+01 0.350E-01 RMM: 2 -0.337254350733E+03 -0.41017E-01 -0.14129E-01 5031 0.830E-01 0.204E+00 RMM: 3 -0.337224460125E+03 0.29891E-01 -0.18568E-02 5408 0.311E-01 0.338E-01 RMM: 4 -0.337223576068E+03 0.88406E-03 -0.21151E-03 4920 0.926E-02 0.974E-02 RMM: 5 -0.337223537040E+03 0.39029E-04 -0.24121E-04 4400 0.328E-02 0.885E-02 RMM: 6 -0.337223493605E+03 0.43435E-04 -0.31632E-05 2757 0.173E-02 0.593E-02 RMM: 7 -0.337223517941E+03 -0.24336E-04 -0.45224E-05 3111 0.188E-02 0.929E-02 RMM: 8 -0.337223464426E+03 0.53515E-04 -0.73846E-05 3643 0.201E-02 0.425E-02 RMM: 9 -0.337223458326E+03 0.60999E-05 -0.24541E-05 2631 0.141E-02 801 T= 5854. E= 0.67452071E+03 F= 0.61904553E+03 E0= 0.64745255E+03 EK= 0.47672E+02 SP= 0.78E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337973672855E+03 -0.75021E+00 -0.13926E-01 8248 0.232E+01 0.258E-01 RMM: 2 -0.337996520832E+03 -0.22848E-01 -0.14303E-01 5128 0.796E-01 0.119E+00 RMM: 3 -0.337985208422E+03 0.11312E-01 -0.14105E-02 5452 0.255E-01 0.256E-01 RMM: 4 -0.337984847490E+03 0.36093E-03 -0.15498E-03 4922 0.847E-02 0.162E-01 RMM: 5 -0.337984736953E+03 0.11054E-03 -0.24176E-04 3899 0.389E-02 0.112E-01 RMM: 6 -0.337984657479E+03 0.79473E-04 -0.62946E-05 3368 0.231E-02 0.321E-02 RMM: 7 -0.337984675376E+03 -0.17897E-04 -0.23443E-05 2569 0.146E-02 802 T= 5938. E= 0.67451763E+03 F= 0.61828431E+03 E0= 0.64672100E+03 EK= 0.48357E+02 SP= 0.79E+01 SK= 0.97E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338493436192E+03 -0.50878E+00 -0.12834E-01 8296 0.233E+01 0.148E-01 RMM: 2 -0.338507404041E+03 -0.13968E-01 -0.11406E-01 5258 0.715E-01 0.709E-01 RMM: 3 -0.338502773430E+03 0.46306E-02 -0.96249E-03 5897 0.192E-01 0.148E-01 RMM: 4 -0.338502528569E+03 0.24486E-03 -0.54468E-04 4655 0.495E-02 0.762E-02 RMM: 5 -0.338502489492E+03 0.39077E-04 -0.55788E-05 3284 0.218E-02 0.621E-02 RMM: 6 -0.338502477413E+03 0.12079E-04 -0.19524E-05 2518 0.136E-02 803 T= 5995. E= 0.67451456E+03 F= 0.61776651E+03 E0= 0.64623546E+03 EK= 0.48818E+02 SP= 0.79E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338732692379E+03 -0.23020E+00 -0.12583E-01 7864 0.234E+01 0.246E-01 RMM: 2 -0.338756901274E+03 -0.24209E-01 -0.13353E-01 4848 0.819E-01 0.135E+00 RMM: 3 -0.338743708006E+03 0.13193E-01 -0.15116E-02 5507 0.261E-01 0.231E-01 RMM: 4 -0.338743275568E+03 0.43244E-03 -0.13092E-03 5141 0.689E-02 0.855E-02 RMM: 5 -0.338743231035E+03 0.44533E-04 -0.12270E-04 3815 0.293E-02 0.777E-02 RMM: 6 -0.338743199010E+03 0.32025E-04 -0.27871E-05 2585 0.154E-02 0.586E-02 RMM: 7 -0.338743226185E+03 -0.27175E-04 -0.54316E-05 3288 0.204E-02 0.961E-02 RMM: 8 -0.338743164173E+03 0.62012E-04 -0.88143E-05 3867 0.208E-02 0.435E-02 RMM: 9 -0.338743154295E+03 0.98784E-05 -0.16708E-05 2544 0.115E-02 804 T= 6020. E= 0.67451250E+03 F= 0.61752583E+03 E0= 0.64603063E+03 EK= 0.49021E+02 SP= 0.80E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338673875203E+03 0.69289E-01 -0.11770E-01 7816 0.234E+01 0.263E-01 RMM: 2 -0.338696695260E+03 -0.22820E-01 -0.12175E-01 4851 0.778E-01 0.135E+00 RMM: 3 -0.338683579513E+03 0.13116E-01 -0.13398E-02 5506 0.250E-01 0.219E-01 RMM: 4 -0.338683352699E+03 0.22681E-03 -0.14094E-03 4780 0.816E-02 0.174E-01 RMM: 5 -0.338683246486E+03 0.10621E-03 -0.22816E-04 3887 0.384E-02 0.131E-01 RMM: 6 -0.338683131551E+03 0.11493E-03 -0.76217E-05 3505 0.255E-02 0.357E-02 RMM: 7 -0.338683143468E+03 -0.11918E-04 -0.28152E-05 2659 0.161E-02 805 T= 6010. E= 0.67451236E+03 F= 0.61758585E+03 E0= 0.64612910E+03 EK= 0.48941E+02 SP= 0.80E+01 SK= 0.27E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.338315327558E+03 0.36780E+00 -0.11065E-01 7744 0.233E+01 0.186E-01 RMM: 2 -0.338330390751E+03 -0.15063E-01 -0.97091E-02 5064 0.686E-01 0.975E-01 RMM: 3 -0.338323199033E+03 0.71917E-02 -0.95143E-03 5607 0.206E-01 0.194E-01 RMM: 4 -0.338322906229E+03 0.29280E-03 -0.72997E-04 4811 0.557E-02 0.715E-02 RMM: 5 -0.338322879504E+03 0.26725E-04 -0.76065E-05 3639 0.233E-02 0.688E-02 RMM: 6 -0.338322860003E+03 0.19501E-04 -0.19528E-05 2530 0.132E-02 806 T= 5966. E= 0.67451532E+03 F= 0.61794613E+03 E0= 0.64653064E+03 EK= 0.48582E+02 SP= 0.80E+01 SK= 0.13E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.337691415524E+03 0.63146E+00 -0.11232E-01 7544 0.232E+01 0.268E-01 RMM: 2 -0.337716419271E+03 -0.25004E-01 -0.12248E-01 4887 0.792E-01 0.145E+00 RMM: 3 -0.337701325892E+03 0.15093E-01 -0.14593E-02 5414 0.270E-01 0.256E-01 RMM: 4 -0.337700874730E+03 0.45116E-03 -0.14395E-03 5191 0.703E-02 0.880E-02 RMM: 5 -0.337700818211E+03 0.56519E-04 -0.11410E-04 3786 0.283E-02 0.772E-02 RMM: 6 -0.337700795415E+03 0.22796E-04 -0.27393E-05 2590 0.154E-02 0.665E-02 RMM: 7 -0.337700827412E+03 -0.31997E-04 -0.65375E-05 3445 0.212E-02 0.107E-01 RMM: 8 -0.337700756692E+03 0.70720E-04 -0.11388E-04 3889 0.229E-02 0.483E-02 RMM: 9 -0.337700743509E+03 0.13184E-04 -0.21023E-05 2586 0.127E-02 807 T= 5892. E= 0.67452106E+03 F= 0.61856825E+03 E0= 0.64719579E+03 EK= 0.47982E+02 SP= 0.80E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336886852741E+03 0.81390E+00 -0.10318E-01 7544 0.229E+01 0.292E-01 RMM: 2 -0.336909681706E+03 -0.22829E-01 -0.10877E-01 4877 0.749E-01 0.141E+00 RMM: 3 -0.336895421533E+03 0.14260E-01 -0.12978E-02 5416 0.257E-01 0.276E-01 RMM: 4 -0.336895026780E+03 0.39475E-03 -0.16356E-03 4837 0.881E-02 0.171E-01 RMM: 5 -0.336894961467E+03 0.65314E-04 -0.26089E-04 3896 0.403E-02 0.145E-01 RMM: 6 -0.336894820179E+03 0.14129E-03 -0.78844E-05 3524 0.261E-02 0.374E-02 RMM: 7 -0.336894825314E+03 -0.51353E-05 -0.24319E-05 2592 0.146E-02 808 T= 5799. E= 0.67452905E+03 F= 0.61937416E+03 E0= 0.64804519E+03 EK= 0.47221E+02 SP= 0.79E+01 SK= 0.61E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336002281032E+03 0.89254E+00 -0.10344E-01 7608 0.226E+01 0.195E-01 RMM: 2 -0.336020773881E+03 -0.18493E-01 -0.11611E-01 4909 0.768E-01 0.107E+00 RMM: 3 -0.336012110416E+03 0.86635E-02 -0.12480E-02 5572 0.229E-01 0.199E-01 RMM: 4 -0.336011775831E+03 0.33458E-03 -0.89939E-04 4980 0.614E-02 0.760E-02 RMM: 5 -0.336011747786E+03 0.28045E-04 -0.99708E-05 3887 0.262E-02 0.713E-02 RMM: 6 -0.336011726004E+03 0.21782E-04 -0.21712E-05 2550 0.137E-02 0.537E-02 RMM: 7 -0.336011736705E+03 -0.10701E-04 -0.45897E-05 3050 0.190E-02 809 T= 5699. E= 0.67453716E+03 F= 0.62025725E+03 E0= 0.64897136E+03 EK= 0.46407E+02 SP= 0.79E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335155777059E+03 0.85595E+00 -0.10371E-01 7848 0.223E+01 0.194E-01 RMM: 2 -0.335171569396E+03 -0.15792E-01 -0.11171E-01 4836 0.756E-01 0.920E-01 RMM: 3 -0.335165210521E+03 0.63589E-02 -0.12432E-02 5755 0.221E-01 0.180E-01 RMM: 4 -0.335164894157E+03 0.31636E-03 -0.78737E-04 4788 0.615E-02 0.919E-02 RMM: 5 -0.335164858797E+03 0.35360E-04 -0.11167E-04 3771 0.269E-02 0.769E-02 RMM: 6 -0.335164825065E+03 0.33732E-04 -0.25129E-05 2581 0.153E-02 0.372E-02 RMM: 7 -0.335164827032E+03 -0.19671E-05 -0.15107E-05 2496 0.124E-02 810 T= 5606. E= 0.67454412E+03 F= 0.62110416E+03 E0= 0.64985870E+03 EK= 0.45653E+02 SP= 0.78E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334442602215E+03 0.72222E+00 -0.10626E-01 8144 0.220E+01 0.158E-01 RMM: 2 -0.334457035543E+03 -0.14433E-01 -0.11859E-01 4952 0.758E-01 0.723E-01 RMM: 3 -0.334452718446E+03 0.43171E-02 -0.11935E-02 5907 0.208E-01 0.149E-01 RMM: 4 -0.334452440109E+03 0.27834E-03 -0.62398E-04 4726 0.550E-02 0.890E-02 RMM: 5 -0.334452392891E+03 0.47218E-04 -0.82221E-05 3575 0.250E-02 0.631E-02 RMM: 6 -0.334452377169E+03 0.15722E-04 -0.24139E-05 2558 0.150E-02 811 T= 5533. E= 0.67454957E+03 F= 0.62181661E+03 E0= 0.65060856E+03 EK= 0.45060E+02 SP= 0.76E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333933280267E+03 0.51911E+00 -0.11190E-01 8368 0.218E+01 0.229E-01 RMM: 2 -0.333954293831E+03 -0.21014E-01 -0.12205E-01 4954 0.769E-01 0.122E+00 RMM: 3 -0.333943418911E+03 0.10875E-01 -0.13364E-02 5570 0.243E-01 0.236E-01 RMM: 4 -0.333942981078E+03 0.43783E-03 -0.10939E-03 4891 0.671E-02 0.837E-02 RMM: 5 -0.333942949876E+03 0.31202E-04 -0.12405E-04 3920 0.270E-02 0.736E-02 RMM: 6 -0.333942929494E+03 0.20382E-04 -0.22056E-05 2564 0.138E-02 0.570E-02 RMM: 7 -0.333942947203E+03 -0.17709E-04 -0.28821E-05 2659 0.161E-02 812 T= 5489. E= 0.67455212E+03 F= 0.62232604E+03 E0= 0.65115013E+03 EK= 0.44698E+02 SP= 0.75E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333660783804E+03 0.28215E+00 -0.11745E-01 8864 0.217E+01 0.240E-01 RMM: 2 -0.333682274926E+03 -0.21491E-01 -0.12411E-01 5023 0.755E-01 0.125E+00 RMM: 3 -0.333670932485E+03 0.11342E-01 -0.12881E-02 5512 0.240E-01 0.254E-01 RMM: 4 -0.333670461197E+03 0.47129E-03 -0.12708E-03 4720 0.769E-02 0.102E-01 RMM: 5 -0.333670455367E+03 0.58299E-05 -0.18558E-04 3901 0.332E-02 813 T= 5477. E= 0.67455300E+03 F= 0.62259853E+03 E0= 0.65144809E+03 EK= 0.44602E+02 SP= 0.72E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333627178973E+03 0.43282E-01 -0.12882E-01 9096 0.217E+01 0.178E-01 RMM: 2 -0.333646286579E+03 -0.19108E-01 -0.14040E-01 5360 0.749E-01 0.943E-01 RMM: 3 -0.333638736675E+03 0.75499E-02 -0.11138E-02 5564 0.212E-01 0.167E-01 RMM: 4 -0.333638511413E+03 0.22526E-03 -0.87576E-04 5278 0.553E-02 0.102E-01 RMM: 5 -0.333638443131E+03 0.68282E-04 -0.65277E-05 3426 0.220E-02 0.808E-02 RMM: 6 -0.333638432844E+03 0.10287E-04 -0.24459E-05 2554 0.148E-02 814 T= 5499. E= 0.67455177E+03 F= 0.62263056E+03 E0= 0.65149736E+03 EK= 0.44779E+02 SP= 0.70E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333812304587E+03 -0.17386E+00 -0.15048E-01 8952 0.218E+01 0.354E-01 RMM: 2 -0.333862045799E+03 -0.49741E-01 -0.17257E-01 4914 0.897E-01 0.226E+00 RMM: 3 -0.333825794149E+03 0.36252E-01 -0.20916E-02 5408 0.334E-01 0.300E-01 RMM: 4 -0.333825145457E+03 0.64869E-03 -0.24265E-03 5254 0.934E-02 0.104E-01 RMM: 5 -0.333825118346E+03 0.27110E-04 -0.22337E-04 4065 0.333E-02 0.109E-01 RMM: 6 -0.333825046670E+03 0.71676E-04 -0.40341E-05 3023 0.187E-02 0.502E-02 RMM: 7 -0.333825049176E+03 -0.25065E-05 -0.19296E-05 2530 0.137E-02 815 T= 5551. E= 0.67454864E+03 F= 0.62244394E+03 E0= 0.65131876E+03 EK= 0.45206E+02 SP= 0.67E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334178075866E+03 -0.35303E+00 -0.15610E-01 9064 0.219E+01 0.373E-01 RMM: 2 -0.334227870411E+03 -0.49795E-01 -0.17051E-01 5281 0.848E-01 0.227E+00 RMM: 3 -0.334190979384E+03 0.36891E-01 -0.19941E-02 5394 0.328E-01 0.317E-01 RMM: 4 -0.334190306751E+03 0.67263E-03 -0.24466E-03 5003 0.986E-02 0.144E-01 RMM: 5 -0.334190273541E+03 0.33210E-04 -0.29533E-04 3913 0.407E-02 0.140E-01 RMM: 6 -0.334190141102E+03 0.13244E-03 -0.79046E-05 3568 0.252E-02 0.439E-02 RMM: 7 -0.334190141191E+03 -0.88678E-07 -0.22268E-05 2572 0.141E-02 816 T= 5630. E= 0.67454467E+03 F= 0.62207885E+03 E0= 0.65094920E+03 EK= 0.45845E+02 SP= 0.64E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334667616308E+03 -0.47748E+00 -0.16649E-01 9056 0.221E+01 0.240E-01 RMM: 2 -0.334696121414E+03 -0.28505E-01 -0.16890E-01 5399 0.813E-01 0.138E+00 RMM: 3 -0.334681327950E+03 0.14793E-01 -0.13101E-02 5496 0.243E-01 0.231E-01 RMM: 4 -0.334680915815E+03 0.41213E-03 -0.12763E-03 4942 0.702E-02 0.924E-02 RMM: 5 -0.334680879977E+03 0.35838E-04 -0.13859E-04 3980 0.283E-02 0.835E-02 RMM: 6 -0.334680843499E+03 0.36478E-04 -0.26754E-05 2621 0.154E-02 0.533E-02 RMM: 7 -0.334680855437E+03 -0.11938E-04 -0.29644E-05 2748 0.161E-02 817 T= 5728. E= 0.67453997E+03 F= 0.62158813E+03 E0= 0.65044217E+03 EK= 0.46642E+02 SP= 0.60E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335226936829E+03 -0.54609E+00 -0.17436E-01 9128 0.223E+01 0.217E-01 RMM: 2 -0.335250820486E+03 -0.23884E-01 -0.16989E-01 5395 0.826E-01 0.110E+00 RMM: 3 -0.335241000913E+03 0.98196E-02 -0.12283E-02 5763 0.223E-01 0.190E-01 RMM: 4 -0.335240664862E+03 0.33605E-03 -0.98371E-04 4795 0.661E-02 0.105E-01 RMM: 5 -0.335240613389E+03 0.51473E-04 -0.13413E-04 3853 0.288E-02 0.727E-02 RMM: 6 -0.335240582754E+03 0.30635E-04 -0.25412E-05 2644 0.152E-02 0.402E-02 RMM: 7 -0.335240585837E+03 -0.30828E-05 -0.16600E-05 2507 0.126E-02 818 T= 5838. E= 0.67453525E+03 F= 0.62102840E+03 E0= 0.64985415E+03 EK= 0.47540E+02 SP= 0.56E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335804074860E+03 -0.56349E+00 -0.18131E-01 9136 0.225E+01 0.169E-01 RMM: 2 -0.335824020290E+03 -0.19945E-01 -0.17193E-01 5481 0.828E-01 0.755E-01 RMM: 3 -0.335818630426E+03 0.53899E-02 -0.11840E-02 6188 0.201E-01 0.163E-01 RMM: 4 -0.335818291818E+03 0.33861E-03 -0.65341E-04 4692 0.574E-02 0.103E-01 RMM: 5 -0.335818226375E+03 0.65442E-04 -0.94941E-05 3672 0.252E-02 0.690E-02 RMM: 6 -0.335818207019E+03 0.19356E-04 -0.22013E-05 2565 0.142E-02 819 T= 5954. E= 0.67453194E+03 F= 0.62045078E+03 E0= 0.64923689E+03 EK= 0.48487E+02 SP= 0.52E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336363791466E+03 -0.54557E+00 -0.17540E-01 8984 0.227E+01 0.228E-01 RMM: 2 -0.336389319008E+03 -0.25528E-01 -0.17812E-01 5272 0.864E-01 0.116E+00 RMM: 3 -0.336378562941E+03 0.10756E-01 -0.14773E-02 5714 0.244E-01 0.196E-01 RMM: 4 -0.336378175243E+03 0.38770E-03 -0.11067E-03 5338 0.638E-02 0.906E-02 RMM: 5 -0.336378130302E+03 0.44942E-04 -0.10538E-04 3785 0.262E-02 0.741E-02 RMM: 6 -0.336378112120E+03 0.18182E-04 -0.23051E-05 2558 0.142E-02 820 T= 6072. E= 0.67452994E+03 F= 0.61989088E+03 E0= 0.64862813E+03 EK= 0.49445E+02 SP= 0.48E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336890929113E+03 -0.51280E+00 -0.16723E-01 8888 0.229E+01 0.359E-01 RMM: 2 -0.336935401557E+03 -0.44472E-01 -0.17347E-01 5197 0.893E-01 0.207E+00 RMM: 3 -0.336904605166E+03 0.30796E-01 -0.19506E-02 5402 0.318E-01 0.332E-01 RMM: 4 -0.336903753026E+03 0.85214E-03 -0.22187E-03 4984 0.925E-02 0.107E-01 RMM: 5 -0.336903716545E+03 0.36481E-04 -0.23131E-04 4112 0.346E-02 0.986E-02 RMM: 6 -0.336903660325E+03 0.56220E-04 -0.35305E-05 2794 0.174E-02 0.590E-02 RMM: 7 -0.336903679056E+03 -0.18731E-04 -0.37342E-05 2961 0.182E-02 821 T= 6188. E= 0.67452881E+03 F= 0.61936531E+03 E0= 0.64804696E+03 EK= 0.50392E+02 SP= 0.44E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337386530203E+03 -0.48287E+00 -0.15895E-01 8928 0.231E+01 0.340E-01 RMM: 2 -0.337426485018E+03 -0.39955E-01 -0.16065E-01 5081 0.857E-01 0.196E+00 RMM: 3 -0.337399066378E+03 0.27419E-01 -0.18281E-02 5400 0.307E-01 0.315E-01 RMM: 4 -0.337398361252E+03 0.70513E-03 -0.21359E-03 4983 0.946E-02 0.128E-01 RMM: 5 -0.337398419057E+03 -0.57806E-04 -0.28395E-04 3909 0.396E-02 0.160E-01 RMM: 6 -0.337398246925E+03 0.17213E-03 -0.90034E-05 3640 0.268E-02 0.380E-02 RMM: 7 -0.337398259921E+03 -0.12996E-04 -0.27005E-05 2733 0.157E-02 822 T= 6303. E= 0.67452919E+03 F= 0.61887073E+03 E0= 0.64749197E+03 EK= 0.51329E+02 SP= 0.39E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337868554649E+03 -0.47031E+00 -0.14989E-01 8776 0.233E+01 0.223E-01 RMM: 2 -0.337895045926E+03 -0.26491E-01 -0.16560E-01 5043 0.879E-01 0.129E+00 RMM: 3 -0.337882709247E+03 0.12337E-01 -0.16681E-02 5639 0.256E-01 0.212E-01 RMM: 4 -0.337882251389E+03 0.45786E-03 -0.11839E-03 5009 0.699E-02 0.948E-02 RMM: 5 -0.337882196629E+03 0.54760E-04 -0.13777E-04 4083 0.289E-02 0.792E-02 RMM: 6 -0.337882162531E+03 0.34098E-04 -0.26485E-05 2605 0.152E-02 0.522E-02 RMM: 7 -0.337882160889E+03 0.16419E-05 -0.26231E-05 2611 0.154E-02 823 T= 6419. E= 0.67453028E+03 F= 0.61838683E+03 E0= 0.64694571E+03 EK= 0.52272E+02 SP= 0.34E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338371934697E+03 -0.48977E+00 -0.14166E-01 8112 0.234E+01 0.165E-01 RMM: 2 -0.338391408868E+03 -0.19474E-01 -0.15636E-01 5021 0.875E-01 0.837E-01 RMM: 3 -0.338385616448E+03 0.57924E-02 -0.15106E-02 6026 0.227E-01 0.170E-01 RMM: 4 -0.338385194246E+03 0.42220E-03 -0.70613E-04 4816 0.606E-02 0.819E-02 RMM: 5 -0.338385156353E+03 0.37893E-04 -0.86539E-05 3693 0.260E-02 0.665E-02 RMM: 6 -0.338385137900E+03 0.18453E-04 -0.22764E-05 2557 0.145E-02 824 T= 6538. E= 0.67453074E+03 F= 0.61788385E+03 E0= 0.64638084E+03 EK= 0.53245E+02 SP= 0.30E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338919490415E+03 -0.53433E+00 -0.13048E-01 7936 0.236E+01 0.212E-01 RMM: 2 -0.338940726681E+03 -0.21236E-01 -0.14847E-01 4840 0.864E-01 0.106E+00 RMM: 3 -0.338932342936E+03 0.83837E-02 -0.16356E-02 5728 0.254E-01 0.197E-01 RMM: 4 -0.338931918214E+03 0.42472E-03 -0.10384E-03 5159 0.655E-02 0.910E-02 RMM: 5 -0.338931864542E+03 0.53672E-04 -0.10610E-04 3925 0.279E-02 0.709E-02 RMM: 6 -0.338931847373E+03 0.17169E-04 -0.23453E-05 2561 0.143E-02 825 T= 6664. E= 0.67453087E+03 F= 0.61733714E+03 E0= 0.64577453E+03 EK= 0.54269E+02 SP= 0.25E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339523697995E+03 -0.59183E+00 -0.11812E-01 7840 0.239E+01 0.317E-01 RMM: 2 -0.339555872344E+03 -0.32174E-01 -0.11790E-01 4798 0.818E-01 0.179E+00 RMM: 3 -0.339533128007E+03 0.22744E-01 -0.16430E-02 5371 0.303E-01 0.333E-01 RMM: 4 -0.339532332043E+03 0.79596E-03 -0.18864E-03 4986 0.865E-02 0.905E-02 RMM: 5 -0.339532309280E+03 0.22763E-04 -0.19443E-04 4172 0.320E-02 0.903E-02 RMM: 6 -0.339532261227E+03 0.48052E-04 -0.29423E-05 2612 0.157E-02 0.549E-02 RMM: 7 -0.339532282601E+03 -0.21374E-04 -0.47498E-05 3169 0.203E-02 0.860E-02 RMM: 8 -0.339532235801E+03 0.46800E-04 -0.48477E-05 2909 0.183E-02 0.387E-02 RMM: 9 -0.339532234554E+03 0.12471E-05 -0.21055E-05 2534 0.133E-02 826 T= 6797. E= 0.67452934E+03 F= 0.61673675E+03 E0= 0.64511787E+03 EK= 0.55347E+02 SP= 0.20E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340164544670E+03 -0.63231E+00 -0.11961E-01 7640 0.241E+01 0.264E-01 RMM: 2 -0.340188296651E+03 -0.23752E-01 -0.12200E-01 4698 0.823E-01 0.136E+00 RMM: 3 -0.340174618353E+03 0.13678E-01 -0.14779E-02 5435 0.268E-01 0.239E-01 RMM: 4 -0.340174380245E+03 0.23811E-03 -0.16291E-03 4973 0.877E-02 0.176E-01 RMM: 5 -0.340174308496E+03 0.71749E-04 -0.27305E-04 3903 0.404E-02 0.149E-01 RMM: 6 -0.340174159065E+03 0.14943E-03 -0.92638E-05 3654 0.276E-02 0.307E-02 RMM: 7 -0.340174172916E+03 -0.13851E-04 -0.25306E-05 2647 0.152E-02 827 T= 6933. E= 0.67452580E+03 F= 0.61609482E+03 E0= 0.64442510E+03 EK= 0.56462E+02 SP= 0.16E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340810322111E+03 -0.63616E+00 -0.11518E-01 7728 0.244E+01 0.187E-01 RMM: 2 -0.340824480277E+03 -0.14158E-01 -0.91302E-02 4846 0.738E-01 0.959E-01 RMM: 3 -0.340818046678E+03 0.64336E-02 -0.10626E-02 5616 0.214E-01 0.195E-01 RMM: 4 -0.340817716567E+03 0.33011E-03 -0.71223E-04 4784 0.583E-02 0.721E-02 RMM: 5 -0.340817688330E+03 0.28237E-04 -0.97141E-05 3790 0.276E-02 0.672E-02 RMM: 6 -0.340817665601E+03 0.22729E-04 -0.24347E-05 2553 0.144E-02 0.469E-02 RMM: 7 -0.340817662959E+03 0.26423E-05 -0.34247E-05 2715 0.172E-02 828 T= 7069. E= 0.67452114E+03 F= 0.61545133E+03 E0= 0.64373571E+03 EK= 0.57570E+02 SP= 0.11E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341391663933E+03 -0.57400E+00 -0.12014E-01 7568 0.247E+01 0.148E-01 RMM: 2 -0.341403842674E+03 -0.12179E-01 -0.10215E-01 4757 0.783E-01 0.663E-01 RMM: 3 -0.341400657737E+03 0.31849E-02 -0.11828E-02 5906 0.202E-01 0.135E-01 RMM: 4 -0.341400404486E+03 0.25325E-03 -0.57181E-04 4659 0.575E-02 0.845E-02 RMM: 5 -0.341400362237E+03 0.42249E-04 -0.83516E-05 3556 0.280E-02 0.563E-02 RMM: 6 -0.341400348776E+03 0.13461E-04 -0.24197E-05 2545 0.146E-02 829 T= 7196. E= 0.67451609E+03 F= 0.61486864E+03 E0= 0.64311433E+03 EK= 0.58601E+02 SP= 0.72E+00 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341839319490E+03 -0.43896E+00 -0.11645E-01 7720 0.249E+01 0.179E-01 RMM: 2 -0.341853471657E+03 -0.14152E-01 -0.94079E-02 4795 0.745E-01 0.934E-01 RMM: 3 -0.341847417680E+03 0.60540E-02 -0.11026E-02 5590 0.216E-01 0.156E-01 RMM: 4 -0.341847221391E+03 0.19629E-03 -0.69262E-04 4781 0.569E-02 0.920E-02 RMM: 5 -0.341847156667E+03 0.64724E-04 -0.94537E-05 3766 0.284E-02 0.551E-02 RMM: 6 -0.341847145653E+03 0.11014E-04 -0.22873E-05 2534 0.137E-02 830 T= 7303. E= 0.67451072E+03 F= 0.61442184E+03 E0= 0.64263609E+03 EK= 0.59474E+02 SP= 0.34E+00 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342070038645E+03 -0.22288E+00 -0.11355E-01 7784 0.251E+01 0.223E-01 RMM: 2 -0.342089164841E+03 -0.19126E-01 -0.87107E-02 4865 0.724E-01 0.130E+00 RMM: 3 -0.342077125807E+03 0.12039E-01 -0.10946E-02 5428 0.237E-01 0.183E-01 RMM: 4 -0.342076909940E+03 0.21587E-03 -0.98789E-04 4729 0.639E-02 0.899E-02 RMM: 5 -0.342076862493E+03 0.47447E-04 -0.11910E-04 3846 0.298E-02 0.702E-02 RMM: 6 -0.342076839085E+03 0.23408E-04 -0.28679E-05 2619 0.160E-02 0.464E-02 RMM: 7 -0.342076848419E+03 -0.93346E-05 -0.26020E-05 2584 0.156E-02 831 T= 7380. E= 0.67450619E+03 F= 0.61419214E+03 E0= 0.64238399E+03 EK= 0.60101E+02 SP= -.18E-01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342010118866E+03 0.66720E-01 -0.11959E-01 7800 0.252E+01 0.203E-01 RMM: 2 -0.342024137605E+03 -0.14019E-01 -0.10532E-01 4752 0.792E-01 0.851E-01 RMM: 3 -0.342019127700E+03 0.50099E-02 -0.12908E-02 5684 0.231E-01 0.189E-01 RMM: 4 -0.342018840372E+03 0.28733E-03 -0.86974E-04 4733 0.657E-02 0.117E-01 RMM: 5 -0.342018756471E+03 0.83901E-04 -0.13969E-04 3860 0.334E-02 0.670E-02 RMM: 6 -0.342018730499E+03 0.25972E-04 -0.30042E-05 2690 0.162E-02 0.377E-02 RMM: 7 -0.342018731237E+03 -0.73884E-06 -0.18501E-05 2503 0.142E-02 832 T= 7418. E= 0.67450325E+03 F= 0.61425026E+03 E0= 0.64242850E+03 EK= 0.60407E+02 SP= -.34E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341615669155E+03 0.40306E+00 -0.11568E-01 8024 0.253E+01 0.161E-01 RMM: 2 -0.341627353893E+03 -0.11685E-01 -0.95070E-02 4945 0.724E-01 0.710E-01 RMM: 3 -0.341623753454E+03 0.36004E-02 -0.10547E-02 5889 0.198E-01 0.100E-01 RMM: 4 -0.341623588515E+03 0.16494E-03 -0.51486E-04 4766 0.499E-02 0.103E-01 RMM: 5 -0.341623515637E+03 0.72877E-04 -0.67956E-05 3437 0.246E-02 0.548E-02 RMM: 6 -0.341623506025E+03 0.96126E-05 -0.21549E-05 2529 0.135E-02 833 T= 7410. E= 0.67450286E+03 F= 0.61464548E+03 E0= 0.64281778E+03 EK= 0.60339E+02 SP= -.63E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340862072348E+03 0.76144E+00 -0.11785E-01 7808 0.252E+01 0.141E-01 RMM: 2 -0.340875371831E+03 -0.13299E-01 -0.11284E-01 4785 0.775E-01 0.654E-01 RMM: 3 -0.340872066910E+03 0.33049E-02 -0.12792E-02 6039 0.209E-01 0.123E-01 RMM: 4 -0.340871792266E+03 0.27464E-03 -0.50978E-04 4698 0.528E-02 0.849E-02 RMM: 5 -0.340871742395E+03 0.49871E-04 -0.63105E-05 3362 0.248E-02 0.558E-02 RMM: 6 -0.340871736791E+03 0.56040E-05 -0.21453E-05 2521 0.140E-02 834 T= 7353. E= 0.67450518E+03 F= 0.61539725E+03 E0= 0.64357069E+03 EK= 0.59876E+02 SP= -.88E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339771461696E+03 0.11003E+01 -0.11285E-01 7952 0.250E+01 0.250E-01 RMM: 2 -0.339792225776E+03 -0.20764E-01 -0.10136E-01 4975 0.744E-01 0.135E+00 RMM: 3 -0.339779569153E+03 0.12657E-01 -0.12320E-02 5500 0.247E-01 0.214E-01 RMM: 4 -0.339779234080E+03 0.33507E-03 -0.11162E-03 4761 0.687E-02 0.100E-01 RMM: 5 -0.339779186528E+03 0.47552E-04 -0.13227E-04 3874 0.298E-02 0.823E-02 RMM: 6 -0.339779144921E+03 0.41607E-04 -0.26835E-05 2645 0.155E-02 0.470E-02 RMM: 7 -0.339779142943E+03 0.19778E-05 -0.17778E-05 2505 0.135E-02 835 T= 7249. E= 0.67450964E+03 F= 0.61648985E+03 E0= 0.64466861E+03 EK= 0.59035E+02 SP= -.11E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338387160556E+03 0.13920E+01 -0.11435E-01 7896 0.248E+01 0.237E-01 RMM: 2 -0.338406241597E+03 -0.19081E-01 -0.11615E-01 5018 0.774E-01 0.115E+00 RMM: 3 -0.338396791737E+03 0.94499E-02 -0.13101E-02 5563 0.241E-01 0.253E-01 RMM: 4 -0.338396309588E+03 0.48215E-03 -0.11461E-03 4748 0.730E-02 0.100E-01 RMM: 5 -0.338396291704E+03 0.17884E-04 -0.15701E-04 3911 0.310E-02 836 T= 7106. E= 0.67451680E+03 F= 0.61787270E+03 E0= 0.64605890E+03 EK= 0.57870E+02 SP= -.13E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336794684094E+03 0.16016E+01 -0.11136E-01 8040 0.244E+01 0.161E-01 RMM: 2 -0.336809601155E+03 -0.14917E-01 -0.11320E-01 5145 0.740E-01 0.824E-01 RMM: 3 -0.336804214703E+03 0.53865E-02 -0.10689E-02 5902 0.201E-01 0.154E-01 RMM: 4 -0.336803954011E+03 0.26069E-03 -0.53030E-04 4797 0.491E-02 0.880E-02 RMM: 5 -0.336803898328E+03 0.55682E-04 -0.59882E-05 3249 0.220E-02 0.705E-02 RMM: 6 -0.336803895362E+03 0.29658E-05 -0.34446E-05 2819 0.170E-02 837 T= 6934. E= 0.67452575E+03 F= 0.61946509E+03 E0= 0.64765553E+03 EK= 0.56468E+02 SP= -.15E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335093014094E+03 0.17109E+01 -0.10965E-01 7960 0.240E+01 0.295E-01 RMM: 2 -0.335124548853E+03 -0.31535E-01 -0.12212E-01 4843 0.802E-01 0.175E+00 RMM: 3 -0.335102779028E+03 0.21770E-01 -0.16095E-02 5428 0.290E-01 0.255E-01 RMM: 4 -0.335102320784E+03 0.45824E-03 -0.16761E-03 4925 0.817E-02 0.981E-02 RMM: 5 -0.335102287557E+03 0.33226E-04 -0.19053E-04 3992 0.330E-02 0.882E-02 RMM: 6 -0.335102240068E+03 0.47489E-04 -0.36611E-05 2941 0.183E-02 0.384E-02 RMM: 7 -0.335102240199E+03 -0.13091E-06 -0.14967E-05 2494 0.126E-02 838 T= 6746. E= 0.67453463E+03 F= 0.62116675E+03 E0= 0.64935804E+03 EK= 0.54935E+02 SP= -.16E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333388579536E+03 0.17137E+01 -0.11324E-01 7824 0.236E+01 0.346E-01 RMM: 2 -0.333428568153E+03 -0.39989E-01 -0.14743E-01 4914 0.897E-01 0.199E+00 RMM: 3 -0.333400201832E+03 0.28366E-01 -0.19969E-02 5464 0.324E-01 0.325E-01 RMM: 4 -0.333399412471E+03 0.78936E-03 -0.21827E-03 5140 0.971E-02 0.104E-01 RMM: 5 -0.333399386825E+03 0.25646E-04 -0.25968E-04 4061 0.345E-02 0.107E-01 RMM: 6 -0.333399310257E+03 0.76568E-04 -0.44481E-05 3102 0.197E-02 0.416E-02 RMM: 7 -0.333399309821E+03 0.43596E-06 -0.19595E-05 2530 0.128E-02 839 T= 6556. E= 0.67454331E+03 F= 0.62286968E+03 E0= 0.65105580E+03 EK= 0.53386E+02 SP= -.18E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331788820339E+03 0.16105E+01 -0.11420E-01 7872 0.232E+01 0.210E-01 RMM: 2 -0.331809424846E+03 -0.20605E-01 -0.14544E-01 4932 0.856E-01 0.104E+00 RMM: 3 -0.331801395596E+03 0.80293E-02 -0.16053E-02 5790 0.245E-01 0.207E-01 RMM: 4 -0.331800923196E+03 0.47240E-03 -0.94521E-04 4829 0.665E-02 0.896E-02 RMM: 5 -0.331800888586E+03 0.34610E-04 -0.13074E-04 3867 0.298E-02 0.746E-02 RMM: 6 -0.331800857508E+03 0.31078E-04 -0.29494E-05 2790 0.164E-02 0.390E-02 RMM: 7 -0.331800861685E+03 -0.41772E-05 -0.15443E-05 2498 0.126E-02 840 T= 6377. E= 0.67455099E+03 F= 0.62446813E+03 E0= 0.65264382E+03 EK= 0.51934E+02 SP= -.19E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330385298654E+03 0.14156E+01 -0.11347E-01 7968 0.228E+01 0.147E-01 RMM: 2 -0.330401196103E+03 -0.15897E-01 -0.14664E-01 4943 0.853E-01 0.566E-01 RMM: 3 -0.330398264030E+03 0.29321E-02 -0.15421E-02 6135 0.221E-01 0.110E-01 RMM: 4 -0.330397984126E+03 0.27990E-03 -0.59059E-04 4742 0.562E-02 0.120E-01 RMM: 5 -0.330397884530E+03 0.99596E-04 -0.84514E-05 3528 0.276E-02 0.522E-02 RMM: 6 -0.330397874449E+03 0.10081E-04 -0.21977E-05 2534 0.137E-02 841 T= 6223. E= 0.67455611E+03 F= 0.62587111E+03 E0= 0.65403064E+03 EK= 0.50676E+02 SP= -.20E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329241778066E+03 0.11561E+01 -0.11614E-01 7832 0.225E+01 0.183E-01 RMM: 2 -0.329262406434E+03 -0.20628E-01 -0.16141E-01 4887 0.901E-01 0.908E-01 RMM: 3 -0.329256093259E+03 0.63132E-02 -0.17764E-02 5952 0.242E-01 0.191E-01 RMM: 4 -0.329255561296E+03 0.53196E-03 -0.83399E-04 4909 0.647E-02 0.775E-02 RMM: 5 -0.329255528944E+03 0.32353E-04 -0.99921E-05 3893 0.255E-02 0.641E-02 RMM: 6 -0.329255515074E+03 0.13870E-04 -0.21884E-05 2546 0.142E-02 842 T= 6101. E= 0.67455986E+03 F= 0.62701347E+03 E0= 0.65515356E+03 EK= 0.49685E+02 SP= -.22E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328406564057E+03 0.84896E+00 -0.10417E-01 7864 0.223E+01 0.252E-01 RMM: 2 -0.328432732488E+03 -0.26168E-01 -0.12691E-01 4907 0.816E-01 0.146E+00 RMM: 3 -0.328417350498E+03 0.15382E-01 -0.15577E-02 5515 0.267E-01 0.245E-01 RMM: 4 -0.328416858940E+03 0.49156E-03 -0.13296E-03 4863 0.741E-02 0.879E-02 RMM: 5 -0.328416816093E+03 0.42847E-04 -0.14052E-04 4333 0.276E-02 0.745E-02 RMM: 6 -0.328416794647E+03 0.21445E-04 -0.21878E-05 2555 0.137E-02 0.590E-02 RMM: 7 -0.328416809846E+03 -0.15198E-04 -0.36982E-05 2897 0.180E-02 843 T= 6018. E= 0.67456232E+03 F= 0.62785218E+03 E0= 0.65597070E+03 EK= 0.49007E+02 SP= -.24E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327891885757E+03 0.52491E+00 -0.10327E-01 7784 0.223E+01 0.282E-01 RMM: 2 -0.327916809158E+03 -0.24923E-01 -0.13557E-01 4828 0.858E-01 0.138E+00 RMM: 3 -0.327903291576E+03 0.13518E-01 -0.16699E-02 5513 0.277E-01 0.306E-01 RMM: 4 -0.327902603585E+03 0.68799E-03 -0.16911E-03 4936 0.897E-02 0.112E-01 RMM: 5 -0.327902634424E+03 -0.30840E-04 -0.24761E-04 3984 0.355E-02 0.134E-01 RMM: 6 -0.327902511659E+03 0.12277E-03 -0.66849E-05 3408 0.237E-02 0.313E-02 RMM: 7 -0.327902513445E+03 -0.17862E-05 -0.17121E-05 2520 0.126E-02 844 T= 5976. E= 0.67456274E+03 F= 0.62836648E+03 E0= 0.65646425E+03 EK= 0.48667E+02 SP= -.26E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327700432729E+03 0.20208E+00 -0.95445E-02 7752 0.222E+01 0.198E-01 RMM: 2 -0.327718524555E+03 -0.18092E-01 -0.11507E-01 4929 0.773E-01 0.105E+00 RMM: 3 -0.327710347574E+03 0.81770E-02 -0.12829E-02 5714 0.228E-01 0.176E-01 RMM: 4 -0.327710038453E+03 0.30912E-03 -0.80666E-04 4796 0.609E-02 0.979E-02 RMM: 5 -0.327709967806E+03 0.70647E-04 -0.10176E-04 3891 0.261E-02 0.646E-02 RMM: 6 -0.327709947881E+03 0.19925E-04 -0.21902E-05 2545 0.137E-02 845 T= 5976. E= 0.67456174E+03 F= 0.62855904E+03 E0= 0.65663976E+03 EK= 0.48666E+02 SP= -.28E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327806099512E+03 -0.96132E-01 -0.96246E-02 7528 0.223E+01 0.263E-01 RMM: 2 -0.327827628528E+03 -0.21529E-01 -0.10766E-01 4852 0.778E-01 0.135E+00 RMM: 3 -0.327815041694E+03 0.12587E-01 -0.13752E-02 5467 0.259E-01 0.245E-01 RMM: 4 -0.327814583146E+03 0.45855E-03 -0.12306E-03 4856 0.704E-02 0.892E-02 RMM: 5 -0.327814548865E+03 0.34281E-04 -0.14541E-04 3913 0.306E-02 0.828E-02 RMM: 6 -0.327814511914E+03 0.36951E-04 -0.35007E-05 2827 0.172E-02 0.594E-02 RMM: 7 -0.327814549030E+03 -0.37116E-04 -0.60553E-05 3415 0.216E-02 0.989E-02 RMM: 8 -0.327814481871E+03 0.67159E-04 -0.79516E-05 3830 0.204E-02 0.337E-02 RMM: 9 -0.327814477389E+03 0.44828E-05 -0.12472E-05 2502 0.103E-02 846 T= 6014. E= 0.67455882E+03 F= 0.62845451E+03 E0= 0.65652336E+03 EK= 0.48978E+02 SP= -.30E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328159521773E+03 -0.34504E+00 -0.10088E-01 7584 0.225E+01 0.267E-01 RMM: 2 -0.328177829173E+03 -0.18307E-01 -0.11059E-01 4819 0.784E-01 0.115E+00 RMM: 3 -0.328168531056E+03 0.92981E-02 -0.13524E-02 5549 0.244E-01 0.205E-01 RMM: 4 -0.328168445966E+03 0.85090E-04 -0.13922E-03 4801 0.837E-02 0.212E-01 RMM: 5 -0.328168218974E+03 0.22699E-03 -0.25672E-04 3893 0.402E-02 0.122E-01 RMM: 6 -0.328168118950E+03 0.10002E-03 -0.67222E-05 3437 0.240E-02 0.282E-02 RMM: 7 -0.328168129382E+03 -0.10432E-04 -0.23382E-05 2560 0.147E-02 847 T= 6086. E= 0.67455440E+03 F= 0.62810086E+03 E0= 0.65616543E+03 EK= 0.49558E+02 SP= -.32E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328697749696E+03 -0.52963E+00 -0.98987E-02 7600 0.227E+01 0.187E-01 RMM: 2 -0.328712135675E+03 -0.14386E-01 -0.10136E-01 4950 0.743E-01 0.899E-01 RMM: 3 -0.328706471681E+03 0.56640E-02 -0.11458E-02 5821 0.209E-01 0.177E-01 RMM: 4 -0.328706135783E+03 0.33590E-03 -0.68111E-04 4780 0.573E-02 0.821E-02 RMM: 5 -0.328706092110E+03 0.43673E-04 -0.95805E-05 3733 0.258E-02 0.613E-02 RMM: 6 -0.328706073723E+03 0.18387E-04 -0.22987E-05 2550 0.143E-02 848 T= 6182. E= 0.67454975E+03 F= 0.62756292E+03 E0= 0.65563148E+03 EK= 0.50340E+02 SP= -.35E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329349494372E+03 -0.64340E+00 -0.10031E-01 7688 0.230E+01 0.220E-01 RMM: 2 -0.329366840122E+03 -0.17346E-01 -0.10512E-01 4932 0.753E-01 0.110E+00 RMM: 3 -0.329358350225E+03 0.84899E-02 -0.12348E-02 5585 0.231E-01 0.185E-01 RMM: 4 -0.329358046636E+03 0.30359E-03 -0.92651E-04 4990 0.608E-02 0.894E-02 RMM: 5 -0.329357994056E+03 0.52579E-04 -0.10369E-04 3864 0.268E-02 0.691E-02 RMM: 6 -0.329357974422E+03 0.19634E-04 -0.25331E-05 2563 0.149E-02 849 T= 6294. E= 0.67454537E+03 F= 0.62691101E+03 E0= 0.65499295E+03 EK= 0.51252E+02 SP= -.38E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330049895002E+03 -0.69190E+00 -0.10344E-01 7680 0.233E+01 0.330E-01 RMM: 2 -0.330082162572E+03 -0.32268E-01 -0.12257E-01 4886 0.836E-01 0.180E+00 RMM: 3 -0.330059711194E+03 0.22451E-01 -0.17559E-02 5413 0.307E-01 0.320E-01 RMM: 4 -0.330058953182E+03 0.75801E-03 -0.18975E-03 4915 0.876E-02 0.928E-02 RMM: 5 -0.330058932594E+03 0.20588E-04 -0.21169E-04 4053 0.333E-02 0.968E-02 RMM: 6 -0.330058872901E+03 0.59693E-04 -0.35275E-05 2797 0.180E-02 0.491E-02 RMM: 7 -0.330058878026E+03 -0.51249E-05 -0.27431E-05 2586 0.163E-02 850 T= 6413. E= 0.67454167E+03 F= 0.62621011E+03 E0= 0.65431502E+03 EK= 0.52226E+02 SP= -.41E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330745224393E+03 -0.68635E+00 -0.10643E-01 7784 0.236E+01 0.266E-01 RMM: 2 -0.330767767766E+03 -0.22543E-01 -0.12516E-01 4838 0.825E-01 0.129E+00 RMM: 3 -0.330755790151E+03 0.11978E-01 -0.15635E-02 5462 0.272E-01 0.288E-01 RMM: 4 -0.330755197828E+03 0.59232E-03 -0.15572E-03 4877 0.835E-02 0.106E-01 RMM: 5 -0.330755197297E+03 0.53048E-06 -0.21540E-04 3927 0.348E-02 0.116E-01 RMM: 6 -0.330755107423E+03 0.89874E-04 -0.53363E-05 3252 0.214E-02 0.371E-02 RMM: 7 -0.330755112416E+03 -0.49924E-05 -0.21195E-05 2536 0.141E-02 851 T= 6533. E= 0.67453850E+03 F= 0.62551388E+03 E0= 0.65364991E+03 EK= 0.53204E+02 SP= -.43E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331393137598E+03 -0.63803E+00 -0.11075E-01 7760 0.239E+01 0.216E-01 RMM: 2 -0.331412404065E+03 -0.19266E-01 -0.12669E-01 4827 0.822E-01 0.108E+00 RMM: 3 -0.331404077065E+03 0.83270E-02 -0.14937E-02 5744 0.242E-01 0.191E-01 RMM: 4 -0.331403692042E+03 0.38502E-03 -0.95199E-04 4853 0.654E-02 0.981E-02 RMM: 5 -0.331403634324E+03 0.57718E-04 -0.12812E-04 3874 0.293E-02 0.725E-02 RMM: 6 -0.331403604293E+03 0.30031E-04 -0.27870E-05 2612 0.158E-02 0.436E-02 RMM: 7 -0.331403602197E+03 0.20960E-05 -0.23568E-05 2563 0.148E-02 852 T= 6648. E= 0.67453646E+03 F= 0.62486539E+03 E0= 0.65303698E+03 EK= 0.54140E+02 SP= -.46E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331961146921E+03 -0.55754E+00 -0.11587E-01 7848 0.241E+01 0.185E-01 RMM: 2 -0.331979250024E+03 -0.18103E-01 -0.14725E-01 4793 0.879E-01 0.826E-01 RMM: 3 -0.331974300456E+03 0.49496E-02 -0.17138E-02 5956 0.236E-01 0.157E-01 RMM: 4 -0.331973881517E+03 0.41894E-03 -0.82303E-04 4965 0.632E-02 0.871E-02 RMM: 5 -0.331973837651E+03 0.43867E-04 -0.10926E-04 3799 0.281E-02 0.677E-02 RMM: 6 -0.331973814030E+03 0.23620E-04 -0.26010E-05 2568 0.152E-02 0.457E-02 RMM: 7 -0.331973813282E+03 0.74833E-06 -0.24888E-05 2567 0.153E-02 853 T= 6754. E= 0.67453473E+03 F= 0.62429518E+03 E0= 0.65250573E+03 EK= 0.54997E+02 SP= -.49E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332428081398E+03 -0.45427E+00 -0.13402E-01 7760 0.243E+01 0.176E-01 RMM: 2 -0.332448685241E+03 -0.20604E-01 -0.18226E-01 4779 0.950E-01 0.730E-01 RMM: 3 -0.332444252147E+03 0.44331E-02 -0.19640E-02 6122 0.240E-01 0.151E-01 RMM: 4 -0.332443810418E+03 0.44173E-03 -0.90003E-04 4801 0.708E-02 0.108E-01 RMM: 5 -0.332443739131E+03 0.71287E-04 -0.12046E-04 3788 0.295E-02 0.643E-02 RMM: 6 -0.332443716085E+03 0.23046E-04 -0.26593E-05 2568 0.153E-02 0.368E-02 RMM: 7 -0.332443715329E+03 0.75561E-06 -0.20919E-05 2517 0.142E-02 854 T= 6846. E= 0.67453318E+03 F= 0.62382527E+03 E0= 0.65207433E+03 EK= 0.55748E+02 SP= -.52E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332785315745E+03 -0.34160E+00 -0.13219E-01 7680 0.245E+01 0.173E-01 RMM: 2 -0.332802983520E+03 -0.17668E-01 -0.15413E-01 4791 0.891E-01 0.716E-01 RMM: 3 -0.332798964278E+03 0.40192E-02 -0.17539E-02 6136 0.233E-01 0.133E-01 RMM: 4 -0.332798571901E+03 0.39238E-03 -0.71030E-04 4864 0.623E-02 0.106E-01 RMM: 5 -0.332798502974E+03 0.68928E-04 -0.10379E-04 3711 0.285E-02 0.683E-02 RMM: 6 -0.332798479682E+03 0.23291E-04 -0.29792E-05 2646 0.163E-02 0.448E-02 RMM: 7 -0.332798475783E+03 0.38995E-05 -0.37751E-05 2716 0.181E-02 855 T= 6922. E= 0.67453159E+03 F= 0.62347051E+03 E0= 0.65175503E+03 EK= 0.56373E+02 SP= -.54E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333017519322E+03 -0.21904E+00 -0.13194E-01 7792 0.246E+01 0.170E-01 RMM: 2 -0.333033295587E+03 -0.15776E-01 -0.13438E-01 4977 0.817E-01 0.724E-01 RMM: 3 -0.333029189317E+03 0.41063E-02 -0.14135E-02 6176 0.210E-01 0.156E-01 RMM: 4 -0.333028834964E+03 0.35435E-03 -0.68507E-04 4687 0.625E-02 0.108E-01 RMM: 5 -0.333028754596E+03 0.80368E-04 -0.95965E-05 3610 0.267E-02 0.576E-02 RMM: 6 -0.333028739886E+03 0.14710E-04 -0.22950E-05 2560 0.145E-02 856 T= 6982. E= 0.67453150E+03 F= 0.62324025E+03 E0= 0.65155500E+03 EK= 0.56860E+02 SP= -.57E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333126226820E+03 -0.97472E-01 -0.12869E-01 7792 0.246E+01 0.220E-01 RMM: 2 -0.333146227736E+03 -0.20001E-01 -0.12525E-01 5062 0.789E-01 0.114E+00 RMM: 3 -0.333136680211E+03 0.95475E-02 -0.13414E-02 5591 0.237E-01 0.187E-01 RMM: 4 -0.333136359264E+03 0.32095E-03 -0.98734E-04 5010 0.630E-02 0.899E-02 RMM: 5 -0.333136303612E+03 0.55652E-04 -0.10935E-04 3951 0.271E-02 0.697E-02 RMM: 6 -0.333136283167E+03 0.20445E-04 -0.25535E-05 2566 0.150E-02 0.555E-02 RMM: 7 -0.333136290597E+03 -0.74304E-05 -0.34409E-05 2736 0.172E-02 857 T= 7025. E= 0.67453197E+03 F= 0.62313270E+03 E0= 0.65147272E+03 EK= 0.57208E+02 SP= -.59E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333123956791E+03 0.12326E-01 -0.12545E-01 7672 0.246E+01 0.224E-01 RMM: 2 -0.333141535448E+03 -0.17579E-01 -0.11188E-01 5021 0.756E-01 0.107E+00 RMM: 3 -0.333133135864E+03 0.83996E-02 -0.11971E-02 5589 0.231E-01 0.218E-01 RMM: 4 -0.333132816054E+03 0.31981E-03 -0.10983E-03 4701 0.728E-02 0.127E-01 RMM: 5 -0.333132750739E+03 0.65315E-04 -0.16286E-04 3862 0.331E-02 0.897E-02 RMM: 6 -0.333132696240E+03 0.54500E-04 -0.35436E-05 2928 0.183E-02 0.292E-02 RMM: 7 -0.333132698578E+03 -0.23380E-05 -0.15491E-05 2499 0.124E-02 858 T= 7052. E= 0.67453310E+03 F= 0.62313629E+03 E0= 0.65149669E+03 EK= 0.57424E+02 SP= -.61E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333025163623E+03 0.10753E+00 -0.13135E-01 7816 0.245E+01 0.218E-01 RMM: 2 -0.333042910433E+03 -0.17747E-01 -0.11522E-01 5143 0.759E-01 0.108E+00 RMM: 3 -0.333034591265E+03 0.83192E-02 -0.11717E-02 5775 0.221E-01 0.193E-01 RMM: 4 -0.333034246816E+03 0.34445E-03 -0.82923E-04 4750 0.613E-02 0.993E-02 RMM: 5 -0.333034188662E+03 0.58154E-04 -0.11428E-04 3790 0.279E-02 0.756E-02 RMM: 6 -0.333034155874E+03 0.32788E-04 -0.30445E-05 2752 0.168E-02 0.465E-02 RMM: 7 -0.333034157347E+03 -0.14724E-05 -0.37074E-05 2668 0.169E-02 859 T= 7064. E= 0.67453422E+03 F= 0.62323483E+03 E0= 0.65161239E+03 EK= 0.57523E+02 SP= -.63E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332844307658E+03 0.18985E+00 -0.12947E-01 7824 0.244E+01 0.185E-01 RMM: 2 -0.332858826403E+03 -0.14519E-01 -0.10784E-01 5026 0.733E-01 0.859E-01 RMM: 3 -0.332853120296E+03 0.57061E-02 -0.10584E-02 5807 0.211E-01 0.167E-01 RMM: 4 -0.332852888498E+03 0.23180E-03 -0.71493E-04 4706 0.579E-02 0.102E-01 RMM: 5 -0.332852830401E+03 0.58097E-04 -0.10032E-04 3667 0.268E-02 0.682E-02 RMM: 6 -0.332852804597E+03 0.25803E-04 -0.25012E-05 2580 0.154E-02 0.351E-02 RMM: 7 -0.332852808331E+03 -0.37332E-05 -0.17341E-05 2507 0.128E-02 860 T= 7063. E= 0.67453458E+03 F= 0.62341618E+03 E0= 0.65180932E+03 EK= 0.57515E+02 SP= -.64E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332578963252E+03 0.27384E+00 -0.13321E-01 7904 0.243E+01 0.178E-01 RMM: 2 -0.332594674632E+03 -0.15711E-01 -0.12998E-01 4971 0.809E-01 0.777E-01 RMM: 3 -0.332589973787E+03 0.47008E-02 -0.13258E-02 6059 0.215E-01 0.154E-01 RMM: 4 -0.332589654688E+03 0.31910E-03 -0.66923E-04 4679 0.603E-02 0.108E-01 RMM: 5 -0.332589584723E+03 0.69965E-04 -0.10694E-04 3711 0.288E-02 0.701E-02 RMM: 6 -0.332589556546E+03 0.28176E-04 -0.28874E-05 2650 0.163E-02 0.387E-02 RMM: 7 -0.332589555855E+03 0.69169E-06 -0.28161E-05 2581 0.153E-02 861 T= 7049. E= 0.67453411E+03 F= 0.62367943E+03 E0= 0.65208857E+03 EK= 0.57401E+02 SP= -.66E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332222162332E+03 0.36739E+00 -0.13113E-01 8016 0.243E+01 0.174E-01 RMM: 2 -0.332237340554E+03 -0.15178E-01 -0.12331E-01 4965 0.787E-01 0.783E-01 RMM: 3 -0.332232496270E+03 0.48443E-02 -0.12572E-02 6073 0.213E-01 0.146E-01 RMM: 4 -0.332232213442E+03 0.28283E-03 -0.60881E-04 4669 0.568E-02 0.104E-01 RMM: 5 -0.332232145470E+03 0.67972E-04 -0.94115E-05 3606 0.274E-02 0.623E-02 RMM: 6 -0.332232127132E+03 0.18338E-04 -0.25958E-05 2568 0.153E-02 862 T= 7020. E= 0.67453289E+03 F= 0.62403686E+03 E0= 0.65246400E+03 EK= 0.57169E+02 SP= -.67E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331751354744E+03 0.48079E+00 -0.12843E-01 8096 0.242E+01 0.200E-01 RMM: 2 -0.331771054982E+03 -0.19700E-01 -0.13142E-01 4995 0.806E-01 0.106E+00 RMM: 3 -0.331762449738E+03 0.86052E-02 -0.13634E-02 5649 0.235E-01 0.197E-01 RMM: 4 -0.331762076730E+03 0.37301E-03 -0.91052E-04 4850 0.641E-02 0.892E-02 RMM: 5 -0.331762028973E+03 0.47757E-04 -0.11620E-04 3963 0.279E-02 0.712E-02 RMM: 6 -0.331762006112E+03 0.22861E-04 -0.25899E-05 2571 0.150E-02 0.585E-02 RMM: 7 -0.331762022111E+03 -0.15998E-04 -0.57896E-05 3364 0.213E-02 863 T= 6975. E= 0.67453169E+03 F= 0.62450697E+03 E0= 0.65295544E+03 EK= 0.56802E+02 SP= -.68E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331161670184E+03 0.60034E+00 -0.12531E-01 8048 0.242E+01 0.267E-01 RMM: 2 -0.331182509714E+03 -0.20840E-01 -0.11830E-01 5020 0.798E-01 0.127E+00 RMM: 3 -0.331170915761E+03 0.11594E-01 -0.13286E-02 5642 0.247E-01 0.242E-01 RMM: 4 -0.331170469903E+03 0.44586E-03 -0.12568E-03 4767 0.780E-02 0.119E-01 RMM: 5 -0.331170430845E+03 0.39057E-04 -0.18464E-04 3881 0.339E-02 0.990E-02 RMM: 6 -0.331170366021E+03 0.64824E-04 -0.41252E-05 3062 0.196E-02 0.346E-02 RMM: 7 -0.331170366334E+03 -0.31250E-06 -0.16658E-05 2508 0.126E-02 864 T= 6913. E= 0.67453210E+03 F= 0.62509862E+03 E0= 0.65357367E+03 EK= 0.56295E+02 SP= -.69E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330460089059E+03 0.71028E+00 -0.12966E-01 7992 0.241E+01 0.213E-01 RMM: 2 -0.330479318904E+03 -0.19230E-01 -0.12980E-01 5128 0.798E-01 0.108E+00 RMM: 3 -0.330470732006E+03 0.85869E-02 -0.13154E-02 5821 0.228E-01 0.179E-01 RMM: 4 -0.330470391972E+03 0.34003E-03 -0.82543E-04 4916 0.603E-02 0.988E-02 RMM: 5 -0.330470328616E+03 0.63356E-04 -0.10808E-04 3808 0.274E-02 0.704E-02 RMM: 6 -0.330470305601E+03 0.23015E-04 -0.28678E-05 2676 0.160E-02 0.539E-02 RMM: 7 -0.330470309638E+03 -0.40374E-05 -0.49042E-05 3034 0.187E-02 865 T= 6836. E= 0.67453514E+03 F= 0.62579868E+03 E0= 0.65430471E+03 EK= 0.55665E+02 SP= -.69E+01 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329692131543E+03 0.77817E+00 -0.12921E-01 8128 0.241E+01 0.214E-01 RMM: 2 -0.329708956468E+03 -0.16825E-01 -0.12613E-01 4987 0.810E-01 0.927E-01 RMM: 3 -0.329702629070E+03 0.63274E-02 -0.13900E-02 5878 0.232E-01 0.184E-01 RMM: 4 -0.329702250111E+03 0.37896E-03 -0.83679E-04 4873 0.623E-02 0.974E-02 RMM: 5 -0.329702212969E+03 0.37142E-04 -0.11882E-04 3797 0.290E-02 0.789E-02 RMM: 6 -0.329702175537E+03 0.37432E-04 -0.29859E-05 2793 0.165E-02 0.420E-02 RMM: 7 -0.329702180200E+03 -0.46628E-05 -0.20562E-05 2526 0.143E-02 866 T= 6748. E= 0.67453922E+03 F= 0.62656681E+03 E0= 0.65510953E+03 EK= 0.54953E+02 SP= -.70E+01 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328913879319E+03 0.78830E+00 -0.12835E-01 8168 0.240E+01 0.204E-01 RMM: 2 -0.328930835905E+03 -0.16957E-01 -0.12280E-01 5022 0.791E-01 0.964E-01 RMM: 3 -0.328924045488E+03 0.67904E-02 -0.12822E-02 5915 0.222E-01 0.179E-01 RMM: 4 -0.328923697472E+03 0.34802E-03 -0.76262E-04 4778 0.607E-02 0.100E-01 RMM: 5 -0.328923641712E+03 0.55761E-04 -0.10744E-04 3804 0.267E-02 0.726E-02 RMM: 6 -0.328923615254E+03 0.26458E-04 -0.26123E-05 2597 0.155E-02 0.455E-02 RMM: 7 -0.328923620885E+03 -0.56312E-05 -0.25886E-05 2587 0.151E-02 867 T= 6658. E= 0.67454386E+03 F= 0.62734537E+03 E0= 0.65592873E+03 EK= 0.54221E+02 SP= -.70E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328186259695E+03 0.73736E+00 -0.13014E-01 8096 0.239E+01 0.216E-01 RMM: 2 -0.328204211644E+03 -0.17952E-01 -0.13218E-01 4929 0.834E-01 0.962E-01 RMM: 3 -0.328197369593E+03 0.68421E-02 -0.14824E-02 5793 0.240E-01 0.196E-01 RMM: 4 -0.328196962015E+03 0.40758E-03 -0.92204E-04 4958 0.637E-02 0.878E-02 RMM: 5 -0.328196937555E+03 0.24460E-04 -0.12829E-04 3840 0.295E-02 0.851E-02 RMM: 6 -0.328196892764E+03 0.44792E-04 -0.32435E-05 2843 0.171E-02 0.415E-02 RMM: 7 -0.328196896531E+03 -0.37676E-05 -0.23867E-05 2538 0.152E-02 868 T= 6574. E= 0.67454743E+03 F= 0.62807209E+03 E0= 0.65669891E+03 EK= 0.53533E+02 SP= -.71E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327560038640E+03 0.63685E+00 -0.13333E-01 7832 0.239E+01 0.207E-01 RMM: 2 -0.327579378761E+03 -0.19340E-01 -0.13604E-01 4896 0.845E-01 0.104E+00 RMM: 3 -0.327571636048E+03 0.77427E-02 -0.15292E-02 5865 0.237E-01 0.196E-01 RMM: 4 -0.327571188483E+03 0.44757E-03 -0.88559E-04 4835 0.654E-02 0.843E-02 RMM: 5 -0.327571150940E+03 0.37543E-04 -0.12000E-04 4113 0.267E-02 0.700E-02 RMM: 6 -0.327571126423E+03 0.24517E-04 -0.24554E-05 2567 0.149E-02 0.421E-02 RMM: 7 -0.327571131726E+03 -0.53034E-05 -0.20672E-05 2527 0.140E-02 869 T= 6501. E= 0.67454940E+03 F= 0.62869786E+03 E0= 0.65736902E+03 EK= 0.52941E+02 SP= -.71E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327062640376E+03 0.50849E+00 -0.13251E-01 7928 0.240E+01 0.203E-01 RMM: 2 -0.327078572216E+03 -0.15932E-01 -0.11942E-01 5029 0.786E-01 0.905E-01 RMM: 3 -0.327072466324E+03 0.61059E-02 -0.12623E-02 5794 0.223E-01 0.180E-01 RMM: 4 -0.327072154719E+03 0.31161E-03 -0.81513E-04 4878 0.601E-02 0.923E-02 RMM: 5 -0.327072113644E+03 0.41075E-04 -0.11401E-04 3821 0.271E-02 0.798E-02 RMM: 6 -0.327072075287E+03 0.38357E-04 -0.28853E-05 2722 0.164E-02 0.392E-02 RMM: 7 -0.327072076809E+03 -0.15223E-05 -0.18268E-05 2505 0.132E-02 870 T= 6444. E= 0.67454954E+03 F= 0.62919691E+03 E0= 0.65791088E+03 EK= 0.52474E+02 SP= -.71E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326688535306E+03 0.38354E+00 -0.13428E-01 7784 0.240E+01 0.197E-01 RMM: 2 -0.326704840932E+03 -0.16306E-01 -0.12685E-01 4949 0.818E-01 0.876E-01 RMM: 3 -0.326699280781E+03 0.55602E-02 -0.14037E-02 5900 0.226E-01 0.178E-01 RMM: 4 -0.326698903932E+03 0.37685E-03 -0.77322E-04 4878 0.607E-02 0.974E-02 RMM: 5 -0.326698847531E+03 0.56401E-04 -0.10877E-04 3827 0.272E-02 0.711E-02 RMM: 6 -0.326698822006E+03 0.25525E-04 -0.26108E-05 2576 0.152E-02 0.446E-02 RMM: 7 -0.326698824208E+03 -0.22024E-05 -0.27745E-05 2575 0.158E-02 871 T= 6402. E= 0.67454834E+03 F= 0.62957017E+03 E0= 0.65832371E+03 EK= 0.52133E+02 SP= -.72E+01 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326421966961E+03 0.27686E+00 -0.13121E-01 7760 0.241E+01 0.214E-01 RMM: 2 -0.326438415036E+03 -0.16448E-01 -0.11640E-01 5051 0.786E-01 0.986E-01 RMM: 3 -0.326431469987E+03 0.69450E-02 -0.12374E-02 5805 0.222E-01 0.179E-01 RMM: 4 -0.326431169759E+03 0.30023E-03 -0.83870E-04 4764 0.633E-02 0.120E-01 RMM: 5 -0.326431094035E+03 0.75723E-04 -0.13178E-04 3815 0.300E-02 0.781E-02 RMM: 6 -0.326431056983E+03 0.37052E-04 -0.32098E-05 2866 0.172E-02 0.423E-02 RMM: 7 -0.326431058851E+03 -0.18675E-05 -0.20532E-05 2518 0.140E-02 872 T= 6373. E= 0.67454597E+03 F= 0.62983793E+03 E0= 0.65862575E+03 EK= 0.51900E+02 SP= -.72E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326228295185E+03 0.20276E+00 -0.12867E-01 7688 0.241E+01 0.223E-01 RMM: 2 -0.326245736555E+03 -0.17441E-01 -0.12899E-01 5002 0.830E-01 0.975E-01 RMM: 3 -0.326238980548E+03 0.67560E-02 -0.14384E-02 5856 0.233E-01 0.182E-01 RMM: 4 -0.326238614692E+03 0.36586E-03 -0.87513E-04 4874 0.635E-02 0.117E-01 RMM: 5 -0.326238533106E+03 0.81586E-04 -0.12346E-04 3842 0.297E-02 0.736E-02 RMM: 6 -0.326238504791E+03 0.28315E-04 -0.28775E-05 2648 0.159E-02 0.474E-02 RMM: 7 -0.326238506988E+03 -0.21972E-05 -0.25915E-05 2561 0.154E-02 873 T= 6354. E= 0.67454399E+03 F= 0.63003048E+03 E0= 0.65884738E+03 EK= 0.51747E+02 SP= -.72E+01 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326085367778E+03 0.15314E+00 -0.12940E-01 7696 0.240E+01 0.222E-01 RMM: 2 -0.326102214234E+03 -0.16846E-01 -0.11182E-01 5085 0.780E-01 0.106E+00 RMM: 3 -0.326094418794E+03 0.77954E-02 -0.11880E-02 5809 0.220E-01 0.196E-01 RMM: 4 -0.326094080179E+03 0.33862E-03 -0.85226E-04 4704 0.646E-02 0.120E-01 RMM: 5 -0.326093999932E+03 0.80247E-04 -0.12974E-04 3823 0.299E-02 0.780E-02 RMM: 6 -0.326093963589E+03 0.36344E-04 -0.31807E-05 2850 0.172E-02 0.434E-02 RMM: 7 -0.326093965929E+03 -0.23401E-05 -0.24162E-05 2561 0.148E-02 874 T= 6342. E= 0.67454282E+03 F= 0.63017502E+03 E0= 0.65901449E+03 EK= 0.51648E+02 SP= -.73E+01 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325970151072E+03 0.12381E+00 -0.13010E-01 7672 0.240E+01 0.246E-01 RMM: 2 -0.325988295875E+03 -0.18145E-01 -0.11522E-01 5024 0.809E-01 0.113E+00 RMM: 3 -0.325979489836E+03 0.88060E-02 -0.13335E-02 5704 0.239E-01 0.217E-01 RMM: 4 -0.325979070051E+03 0.41979E-03 -0.10071E-03 4756 0.682E-02 0.119E-01 RMM: 5 -0.325978997007E+03 0.73044E-04 -0.14398E-04 3878 0.317E-02 0.828E-02 RMM: 6 -0.325978954598E+03 0.42409E-04 -0.34473E-05 2917 0.176E-02 0.446E-02 RMM: 7 -0.325978955722E+03 -0.11240E-05 -0.23987E-05 2546 0.149E-02 875 T= 6335. E= 0.67454223E+03 F= 0.63029003E+03 E0= 0.65914579E+03 EK= 0.51585E+02 SP= -.73E+01 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325874652444E+03 0.10430E+00 -0.12854E-01 7752 0.239E+01 0.215E-01 RMM: 2 -0.325891106045E+03 -0.16454E-01 -0.11493E-01 4992 0.801E-01 0.100E+00 RMM: 3 -0.325884221625E+03 0.68844E-02 -0.13059E-02 5827 0.228E-01 0.196E-01 RMM: 4 -0.325883844230E+03 0.37740E-03 -0.83569E-04 4758 0.640E-02 0.110E-01 RMM: 5 -0.325883774223E+03 0.70007E-04 -0.11604E-04 3776 0.289E-02 0.745E-02 RMM: 6 -0.325883743243E+03 0.30980E-04 -0.28745E-05 2663 0.163E-02 0.460E-02 RMM: 7 -0.325883744905E+03 -0.16624E-05 -0.24714E-05 2571 0.148E-02 876 T= 6330. E= 0.67454232E+03 F= 0.63038524E+03 E0= 0.65925051E+03 EK= 0.51549E+02 SP= -.74E+01 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325800517535E+03 0.83226E-01 -0.12733E-01 7840 0.238E+01 0.226E-01 RMM: 2 -0.325817253186E+03 -0.16736E-01 -0.10609E-01 4914 0.780E-01 0.108E+00 RMM: 3 -0.325809243261E+03 0.80099E-02 -0.12519E-02 5689 0.234E-01 0.211E-01 RMM: 4 -0.325808858349E+03 0.38491E-03 -0.90323E-04 4753 0.654E-02 0.108E-01 RMM: 5 -0.325808801002E+03 0.57346E-04 -0.12896E-04 3820 0.306E-02 0.804E-02 RMM: 6 -0.325808761672E+03 0.39330E-04 -0.32387E-05 2824 0.173E-02 0.420E-02 RMM: 7 -0.325808764856E+03 -0.31841E-05 -0.20868E-05 2534 0.141E-02 877 T= 6329. E= 0.67454268E+03 F= 0.63046022E+03 E0= 0.65932900E+03 EK= 0.51539E+02 SP= -.75E+01 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325751243719E+03 0.57518E-01 -0.12618E-01 7752 0.238E+01 0.216E-01 RMM: 2 -0.325767663290E+03 -0.16420E-01 -0.10675E-01 4873 0.782E-01 0.104E+00 RMM: 3 -0.325760210647E+03 0.74526E-02 -0.12753E-02 5652 0.234E-01 0.217E-01 RMM: 4 -0.325759811228E+03 0.39942E-03 -0.88945E-04 4754 0.650E-02 0.917E-02 RMM: 5 -0.325759768482E+03 0.42747E-04 -0.12038E-04 3862 0.285E-02 0.772E-02 RMM: 6 -0.325759734217E+03 0.34265E-04 -0.29201E-05 2677 0.165E-02 0.434E-02 RMM: 7 -0.325759737962E+03 -0.37454E-05 -0.19986E-05 2534 0.136E-02 878 T= 6332. E= 0.67454267E+03 F= 0.63050925E+03 E0= 0.65937521E+03 EK= 0.51562E+02 SP= -.75E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325732267111E+03 0.27467E-01 -0.12145E-01 7680 0.237E+01 0.205E-01 RMM: 2 -0.325746305595E+03 -0.14038E-01 -0.91525E-02 4888 0.728E-01 0.969E-01 RMM: 3 -0.325739731031E+03 0.65746E-02 -0.10756E-02 5599 0.221E-01 0.192E-01 RMM: 4 -0.325739438599E+03 0.29243E-03 -0.76253E-04 4724 0.595E-02 0.919E-02 RMM: 5 -0.325739400057E+03 0.38542E-04 -0.10706E-04 3738 0.280E-02 0.782E-02 RMM: 6 -0.325739364184E+03 0.35873E-04 -0.29495E-05 2710 0.167E-02 0.395E-02 RMM: 7 -0.325739368593E+03 -0.44092E-05 -0.18572E-05 2519 0.133E-02 879 T= 6339. E= 0.67454260E+03 F= 0.63052962E+03 E0= 0.65938765E+03 EK= 0.51619E+02 SP= -.76E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325734685305E+03 0.46789E-02 -0.11850E-01 7616 0.238E+01 0.216E-01 RMM: 2 -0.325750392992E+03 -0.15708E-01 -0.99259E-02 4824 0.763E-01 0.104E+00 RMM: 3 -0.325742923053E+03 0.74699E-02 -0.11999E-02 5596 0.232E-01 0.208E-01 RMM: 4 -0.325742582820E+03 0.34023E-03 -0.85931E-04 4700 0.636E-02 0.892E-02 RMM: 5 -0.325742549323E+03 0.33497E-04 -0.12084E-04 3829 0.290E-02 0.813E-02 RMM: 6 -0.325742510124E+03 0.39199E-04 -0.30969E-05 2754 0.169E-02 0.405E-02 RMM: 7 -0.325742513431E+03 -0.33068E-05 -0.17714E-05 2519 0.131E-02 880 T= 6349. E= 0.67454183E+03 F= 0.63052648E+03 E0= 0.65937154E+03 EK= 0.51706E+02 SP= -.77E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325744731534E+03 -0.22214E-02 -0.11199E-01 7720 0.238E+01 0.211E-01 RMM: 2 -0.325758711107E+03 -0.13980E-01 -0.91484E-02 4904 0.723E-01 0.964E-01 RMM: 3 -0.325752167393E+03 0.65437E-02 -0.10941E-02 5614 0.222E-01 0.187E-01 RMM: 4 -0.325751882351E+03 0.28504E-03 -0.77636E-04 4730 0.594E-02 0.912E-02 RMM: 5 -0.325751847039E+03 0.35312E-04 -0.10627E-04 3772 0.274E-02 0.805E-02 RMM: 6 -0.325751809403E+03 0.37636E-04 -0.28428E-05 2700 0.164E-02 0.412E-02 RMM: 7 -0.325751813446E+03 -0.40427E-05 -0.18764E-05 2522 0.134E-02 881 T= 6361. E= 0.67454058E+03 F= 0.63051718E+03 E0= 0.65934562E+03 EK= 0.51803E+02 SP= -.78E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325734479812E+03 0.17330E-01 -0.11557E-01 7704 0.239E+01 0.224E-01 RMM: 2 -0.325750669884E+03 -0.16190E-01 -0.97030E-02 4984 0.733E-01 0.108E+00 RMM: 3 -0.325742407627E+03 0.82623E-02 -0.11458E-02 5599 0.228E-01 0.210E-01 RMM: 4 -0.325742069334E+03 0.33829E-03 -0.89433E-04 4706 0.640E-02 0.962E-02 RMM: 5 -0.325742027008E+03 0.42327E-04 -0.12297E-04 3844 0.285E-02 0.834E-02 RMM: 6 -0.325741986997E+03 0.40010E-04 -0.29867E-05 2777 0.166E-02 0.449E-02 RMM: 7 -0.325741990790E+03 -0.37923E-05 -0.19293E-05 2534 0.137E-02 882 T= 6372. E= 0.67453945E+03 F= 0.63052700E+03 E0= 0.65933568E+03 EK= 0.51888E+02 SP= -.79E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325675316602E+03 0.66670E-01 -0.12322E-01 8160 0.239E+01 0.231E-01 RMM: 2 -0.325691388191E+03 -0.16072E-01 -0.10520E-01 5142 0.746E-01 0.104E+00 RMM: 3 -0.325683785094E+03 0.76031E-02 -0.12131E-02 5619 0.233E-01 0.213E-01 RMM: 4 -0.325683431975E+03 0.35312E-03 -0.94676E-04 4840 0.638E-02 0.978E-02 RMM: 5 -0.325683388360E+03 0.43615E-04 -0.12684E-04 3863 0.285E-02 0.868E-02 RMM: 6 -0.325683344492E+03 0.43868E-04 -0.29796E-05 2790 0.167E-02 0.477E-02 RMM: 7 -0.325683346545E+03 -0.20535E-05 -0.22925E-05 2565 0.148E-02 883 T= 6377. E= 0.67453789E+03 F= 0.63058564E+03 E0= 0.65937295E+03 EK= 0.51927E+02 SP= -.80E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325535030818E+03 0.14831E+00 -0.12794E-01 8256 0.240E+01 0.226E-01 RMM: 2 -0.325554609753E+03 -0.19579E-01 -0.12222E-01 5129 0.785E-01 0.114E+00 RMM: 3 -0.325545249499E+03 0.93603E-02 -0.13778E-02 5677 0.237E-01 0.222E-01 RMM: 4 -0.325544828486E+03 0.42101E-03 -0.10090E-03 4767 0.679E-02 0.100E-01 RMM: 5 -0.325544775658E+03 0.52828E-04 -0.13775E-04 3921 0.285E-02 0.838E-02 RMM: 6 -0.325544738295E+03 0.37362E-04 -0.28817E-05 2760 0.163E-02 0.511E-02 RMM: 7 -0.325544741810E+03 -0.35148E-05 -0.23092E-05 2575 0.147E-02 884 T= 6372. E= 0.67453693E+03 F= 0.63072425E+03 E0= 0.65948945E+03 EK= 0.51893E+02 SP= -.81E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325293051790E+03 0.25169E+00 -0.13301E-01 8656 0.240E+01 0.235E-01 RMM: 2 -0.325310559358E+03 -0.17508E-01 -0.12117E-01 5224 0.773E-01 0.104E+00 RMM: 3 -0.325302837773E+03 0.77216E-02 -0.13200E-02 5716 0.241E-01 0.227E-01 RMM: 4 -0.325302442459E+03 0.39531E-03 -0.99805E-04 4886 0.655E-02 0.991E-02 RMM: 5 -0.325302393978E+03 0.48480E-04 -0.13317E-04 3853 0.286E-02 0.888E-02 RMM: 6 -0.325302350245E+03 0.43733E-04 -0.32463E-05 2831 0.169E-02 0.518E-02 RMM: 7 -0.325302350889E+03 -0.64383E-06 -0.25309E-05 2583 0.154E-02 885 T= 6356. E= 0.67453657E+03 F= 0.63096664E+03 E0= 0.65971075E+03 EK= 0.51759E+02 SP= -.82E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324933013752E+03 0.36934E+00 -0.14639E-01 8536 0.240E+01 0.212E-01 RMM: 2 -0.324953730891E+03 -0.20717E-01 -0.14774E-01 5142 0.840E-01 0.105E+00 RMM: 3 -0.324945517556E+03 0.82133E-02 -0.15660E-02 5814 0.246E-01 0.202E-01 RMM: 4 -0.324945130060E+03 0.38750E-03 -0.10174E-03 4829 0.685E-02 0.105E-01 RMM: 5 -0.324945065254E+03 0.64806E-04 -0.13684E-04 3935 0.279E-02 0.802E-02 RMM: 6 -0.324945034915E+03 0.30339E-04 -0.28634E-05 2632 0.155E-02 0.536E-02 RMM: 7 -0.324945037510E+03 -0.25949E-05 -0.24420E-05 2589 0.150E-02 886 T= 6326. E= 0.67453655E+03 F= 0.63132395E+03 E0= 0.66004881E+03 EK= 0.51516E+02 SP= -.83E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324465625175E+03 0.47941E+00 -0.15289E-01 8976 0.239E+01 0.220E-01 RMM: 2 -0.324483986843E+03 -0.18362E-01 -0.14152E-01 5302 0.808E-01 0.935E-01 RMM: 3 -0.324477190446E+03 0.67964E-02 -0.13731E-02 5857 0.236E-01 0.197E-01 RMM: 4 -0.324476871538E+03 0.31891E-03 -0.95214E-04 4931 0.632E-02 0.103E-01 RMM: 5 -0.324476811666E+03 0.59872E-04 -0.12607E-04 3809 0.270E-02 0.854E-02 RMM: 6 -0.324476772964E+03 0.38702E-04 -0.31006E-05 2745 0.164E-02 0.524E-02 RMM: 7 -0.324476773798E+03 -0.83372E-06 -0.25700E-05 2581 0.152E-02 887 T= 6284. E= 0.67453801E+03 F= 0.63179222E+03 E0= 0.66050119E+03 EK= 0.51169E+02 SP= -.85E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323909409470E+03 0.56736E+00 -0.15570E-01 9008 0.238E+01 0.198E-01 RMM: 2 -0.323928328437E+03 -0.18919E-01 -0.15040E-01 5353 0.804E-01 0.881E-01 RMM: 3 -0.323921747655E+03 0.65808E-02 -0.12385E-02 5840 0.222E-01 0.189E-01 RMM: 4 -0.323921444708E+03 0.30295E-03 -0.86870E-04 4810 0.620E-02 0.111E-01 RMM: 5 -0.323921365323E+03 0.79385E-04 -0.11918E-04 3803 0.267E-02 0.796E-02 RMM: 6 -0.323921333098E+03 0.32225E-04 -0.26753E-05 2660 0.157E-02 0.514E-02 RMM: 7 -0.323921332944E+03 0.15441E-06 -0.31045E-05 2652 0.161E-02 888 T= 6231. E= 0.67454054E+03 F= 0.63234766E+03 E0= 0.66104394E+03 EK= 0.50744E+02 SP= -.86E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323308487252E+03 0.61285E+00 -0.16428E-01 9016 0.237E+01 0.250E-01 RMM: 2 -0.323333329802E+03 -0.24843E-01 -0.16435E-01 5300 0.871E-01 0.122E+00 RMM: 3 -0.323321906743E+03 0.11423E-01 -0.14419E-02 5830 0.245E-01 0.234E-01 RMM: 4 -0.323321435293E+03 0.47145E-03 -0.11607E-03 4799 0.736E-02 0.111E-01 RMM: 5 -0.323321378626E+03 0.56668E-04 -0.16770E-04 3933 0.309E-02 0.926E-02 RMM: 6 -0.323321327705E+03 0.50921E-04 -0.38488E-05 3004 0.186E-02 0.474E-02 RMM: 7 -0.323321329302E+03 -0.15974E-05 -0.19128E-05 2531 0.131E-02 889 T= 6175. E= 0.67454433E+03 F= 0.63294766E+03 E0= 0.66163476E+03 EK= 0.50283E+02 SP= -.87E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322724748149E+03 0.59658E+00 -0.16838E-01 9024 0.236E+01 0.231E-01 RMM: 2 -0.322748067823E+03 -0.23320E-01 -0.16919E-01 5337 0.867E-01 0.109E+00 RMM: 3 -0.322738770614E+03 0.92972E-02 -0.14345E-02 5774 0.242E-01 0.215E-01 RMM: 4 -0.322738375558E+03 0.39506E-03 -0.10711E-03 4831 0.687E-02 0.114E-01 RMM: 5 -0.322738299971E+03 0.75587E-04 -0.14934E-04 3979 0.290E-02 0.833E-02 RMM: 6 -0.322738261800E+03 0.38171E-04 -0.31770E-05 2816 0.170E-02 0.491E-02 RMM: 7 -0.322738267332E+03 -0.55313E-05 -0.26185E-05 2579 0.150E-02 890 T= 6122. E= 0.67454885E+03 F= 0.63353072E+03 E0= 0.66221113E+03 EK= 0.49851E+02 SP= -.89E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322235817157E+03 0.50244E+00 -0.17225E-01 9024 0.235E+01 0.250E-01 RMM: 2 -0.322260229461E+03 -0.24412E-01 -0.16604E-01 5385 0.858E-01 0.118E+00 RMM: 3 -0.322249242997E+03 0.10986E-01 -0.13977E-02 5800 0.241E-01 0.229E-01 RMM: 4 -0.322248796956E+03 0.44604E-03 -0.11095E-03 4804 0.709E-02 0.118E-01 RMM: 5 -0.322248733881E+03 0.63075E-04 -0.16048E-04 3890 0.308E-02 0.955E-02 RMM: 6 -0.322248680173E+03 0.53707E-04 -0.41452E-05 3080 0.193E-02 0.476E-02 RMM: 7 -0.322248686090E+03 -0.59166E-05 -0.23650E-05 2561 0.144E-02 891 T= 6082. E= 0.67455396E+03 F= 0.63402030E+03 E0= 0.66269579E+03 EK= 0.49526E+02 SP= -.91E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321923716202E+03 0.32496E+00 -0.16700E-01 8936 0.234E+01 0.245E-01 RMM: 2 -0.321947541317E+03 -0.23825E-01 -0.16662E-01 5434 0.865E-01 0.115E+00 RMM: 3 -0.321937503022E+03 0.10038E-01 -0.14185E-02 5781 0.240E-01 0.226E-01 RMM: 4 -0.321937062988E+03 0.44003E-03 -0.10810E-03 4826 0.691E-02 0.115E-01 RMM: 5 -0.321936996553E+03 0.66434E-04 -0.15105E-04 3926 0.291E-02 0.891E-02 RMM: 6 -0.321936952215E+03 0.44339E-04 -0.33419E-05 2915 0.177E-02 0.491E-02 RMM: 7 -0.321936961026E+03 -0.88107E-05 -0.27075E-05 2607 0.151E-02 892 T= 6065. E= 0.67455827E+03 F= 0.63433203E+03 E0= 0.66300335E+03 EK= 0.49391E+02 SP= -.92E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321864720329E+03 0.72232E-01 -0.15911E-01 8840 0.234E+01 0.231E-01 RMM: 2 -0.321887048466E+03 -0.22328E-01 -0.15955E-01 5368 0.851E-01 0.108E+00 RMM: 3 -0.321877934830E+03 0.91136E-02 -0.13663E-02 5787 0.234E-01 0.216E-01 RMM: 4 -0.321877513511E+03 0.42132E-03 -0.97190E-04 4811 0.666E-02 0.109E-01 RMM: 5 -0.321877458258E+03 0.55253E-04 -0.13747E-04 3879 0.283E-02 0.905E-02 RMM: 6 -0.321877413460E+03 0.44798E-04 -0.33415E-05 2923 0.177E-02 0.482E-02 RMM: 7 -0.321877421387E+03 -0.79274E-05 -0.27992E-05 2614 0.156E-02 893 T= 6081. E= 0.67456068E+03 F= 0.63439157E+03 E0= 0.66305864E+03 EK= 0.49523E+02 SP= -.94E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322102772515E+03 -0.22536E+00 -0.15320E-01 8680 0.234E+01 0.211E-01 RMM: 2 -0.322123048185E+03 -0.20276E-01 -0.15130E-01 5333 0.825E-01 0.995E-01 RMM: 3 -0.322115264253E+03 0.77839E-02 -0.13061E-02 5856 0.227E-01 0.203E-01 RMM: 4 -0.322114892448E+03 0.37181E-03 -0.87223E-04 4825 0.629E-02 0.102E-01 RMM: 5 -0.322114836433E+03 0.56015E-04 -0.11885E-04 3832 0.264E-02 0.820E-02 RMM: 6 -0.322114801109E+03 0.35323E-04 -0.26897E-05 2711 0.161E-02 0.483E-02 RMM: 7 -0.322114807484E+03 -0.63748E-05 -0.25054E-05 2591 0.145E-02 894 T= 6136. E= 0.67455990E+03 F= 0.63415418E+03 E0= 0.66281650E+03 EK= 0.49964E+02 SP= -.97E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322639279189E+03 -0.52448E+00 -0.14940E-01 8416 0.236E+01 0.192E-01 RMM: 2 -0.322658516532E+03 -0.19237E-01 -0.15363E-01 5177 0.840E-01 0.877E-01 RMM: 3 -0.322652131510E+03 0.63850E-02 -0.13847E-02 5930 0.227E-01 0.172E-01 RMM: 4 -0.322651796925E+03 0.33459E-03 -0.77349E-04 4867 0.598E-02 0.999E-02 RMM: 5 -0.322651736959E+03 0.59966E-04 -0.10063E-04 3785 0.254E-02 0.769E-02 RMM: 6 -0.322651708304E+03 0.28655E-04 -0.25726E-05 2593 0.157E-02 0.484E-02 RMM: 7 -0.322651711172E+03 -0.28677E-05 -0.26002E-05 2605 0.148E-02 895 T= 6228. E= 0.67455600E+03 F= 0.63361728E+03 E0= 0.66227416E+03 EK= 0.50718E+02 SP= -.99E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323436950369E+03 -0.78524E+00 -0.14376E-01 8200 0.238E+01 0.204E-01 RMM: 2 -0.323456537011E+03 -0.19587E-01 -0.14883E-01 5178 0.825E-01 0.947E-01 RMM: 3 -0.323449281505E+03 0.72555E-02 -0.13832E-02 5980 0.229E-01 0.189E-01 RMM: 4 -0.323448918017E+03 0.36349E-03 -0.81594E-04 4783 0.621E-02 0.105E-01 RMM: 5 -0.323448854035E+03 0.63982E-04 -0.11288E-04 3779 0.268E-02 0.787E-02 RMM: 6 -0.323448823859E+03 0.30175E-04 -0.26130E-05 2612 0.157E-02 0.527E-02 RMM: 7 -0.323448824891E+03 -0.10314E-05 -0.26084E-05 2604 0.150E-02 896 T= 6354. E= 0.67455070E+03 F= 0.63282016E+03 E0= 0.66147125E+03 EK= 0.51744E+02 SP= -.10E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324426964904E+03 -0.97814E+00 -0.14706E-01 8192 0.241E+01 0.208E-01 RMM: 2 -0.324447602416E+03 -0.20638E-01 -0.16420E-01 5135 0.880E-01 0.917E-01 RMM: 3 -0.324440774553E+03 0.68279E-02 -0.15931E-02 5963 0.241E-01 0.180E-01 RMM: 4 -0.324440407937E+03 0.36662E-03 -0.88953E-04 4868 0.649E-02 0.119E-01 RMM: 5 -0.324440320095E+03 0.87843E-04 -0.11940E-04 3868 0.276E-02 0.794E-02 RMM: 6 -0.324440291920E+03 0.28175E-04 -0.27381E-05 2627 0.160E-02 0.556E-02 RMM: 7 -0.324440291076E+03 0.84380E-06 -0.31740E-05 2663 0.163E-02 897 T= 6505. E= 0.67454467E+03 F= 0.63182870E+03 E0= 0.66047335E+03 EK= 0.52975E+02 SP= -.10E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325536241829E+03 -0.10959E+01 -0.14672E-01 8352 0.244E+01 0.233E-01 RMM: 2 -0.325558466049E+03 -0.22224E-01 -0.15628E-01 5143 0.868E-01 0.110E+00 RMM: 3 -0.325549201058E+03 0.92650E-02 -0.15616E-02 5853 0.247E-01 0.215E-01 RMM: 4 -0.325548758706E+03 0.44235E-03 -0.10513E-03 4787 0.704E-02 0.125E-01 RMM: 5 -0.325548668941E+03 0.89765E-04 -0.14486E-04 3868 0.308E-02 0.882E-02 RMM: 6 -0.325548630538E+03 0.38403E-04 -0.33123E-05 2858 0.174E-02 0.586E-02 RMM: 7 -0.325548630004E+03 0.53393E-06 -0.30270E-05 2632 0.164E-02 898 T= 6671. E= 0.67453856E+03 F= 0.63072036E+03 E0= 0.65935834E+03 EK= 0.54328E+02 SP= -.11E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326680069286E+03 -0.11314E+01 -0.14805E-01 8528 0.246E+01 0.229E-01 RMM: 2 -0.326700602649E+03 -0.20533E-01 -0.15150E-01 5199 0.854E-01 0.103E+00 RMM: 3 -0.326692605844E+03 0.79968E-02 -0.14835E-02 5847 0.242E-01 0.207E-01 RMM: 4 -0.326692227086E+03 0.37876E-03 -0.10322E-03 4783 0.693E-02 0.129E-01 RMM: 5 -0.326692126155E+03 0.10093E-03 -0.14649E-04 3886 0.305E-02 0.835E-02 RMM: 6 -0.326692092426E+03 0.33730E-04 -0.32892E-05 2837 0.172E-02 0.558E-02 RMM: 7 -0.326692091292E+03 0.11342E-05 -0.29585E-05 2612 0.161E-02 899 T= 6842. E= 0.67453201E+03 F= 0.62957690E+03 E0= 0.65820766E+03 EK= 0.55716E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327766991923E+03 -0.10749E+01 -0.14857E-01 8616 0.249E+01 0.219E-01 RMM: 2 -0.327787827135E+03 -0.20835E-01 -0.15475E-01 5265 0.862E-01 0.102E+00 RMM: 3 -0.327779843001E+03 0.79841E-02 -0.14265E-02 5913 0.233E-01 0.197E-01 RMM: 4 -0.327779483353E+03 0.35965E-03 -0.95562E-04 4748 0.685E-02 0.134E-01 RMM: 5 -0.327779372974E+03 0.11038E-03 -0.15036E-04 3876 0.316E-02 0.837E-02 RMM: 6 -0.327779339347E+03 0.33627E-04 -0.34372E-05 2899 0.176E-02 0.552E-02 RMM: 7 -0.327779335733E+03 0.36139E-05 -0.30707E-05 2600 0.163E-02 900 T= 7004. E= 0.67452420E+03 F= 0.62848965E+03 E0= 0.65711340E+03 EK= 0.57038E+02 SP= -.11E+02 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328690416654E+03 -0.91108E+00 -0.15556E-01 8808 0.252E+01 0.207E-01 RMM: 2 -0.328710822475E+03 -0.20406E-01 -0.16641E-01 5269 0.894E-01 0.898E-01 RMM: 3 -0.328704504795E+03 0.63177E-02 -0.15222E-02 5973 0.235E-01 0.183E-01 RMM: 4 -0.328704160184E+03 0.34461E-03 -0.91533E-04 4758 0.676E-02 0.142E-01 RMM: 5 -0.328704031729E+03 0.12845E-03 -0.14707E-04 3880 0.318E-02 0.768E-02 RMM: 6 -0.328704006594E+03 0.25135E-04 -0.31837E-05 2764 0.166E-02 0.569E-02 RMM: 7 -0.328704001021E+03 0.55729E-05 -0.32439E-05 2621 0.168E-02 901 T= 7145. E= 0.67451544E+03 F= 0.62756499E+03 E0= 0.65618149E+03 EK= 0.58181E+02 SP= -.11E+02 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329338869389E+03 -0.63486E+00 -0.16492E-01 8872 0.254E+01 0.196E-01 RMM: 2 -0.329359206860E+03 -0.20337E-01 -0.16535E-01 5466 0.864E-01 0.880E-01 RMM: 3 -0.329352534820E+03 0.66720E-02 -0.12628E-02 5963 0.215E-01 0.182E-01 RMM: 4 -0.329352229235E+03 0.30559E-03 -0.82681E-04 4766 0.642E-02 0.140E-01 RMM: 5 -0.329352093452E+03 0.13578E-03 -0.13393E-04 3862 0.299E-02 0.777E-02 RMM: 6 -0.329352073297E+03 0.20155E-04 -0.28473E-05 2686 0.160E-02 0.626E-02 RMM: 7 -0.329352060421E+03 0.12876E-04 -0.38863E-05 2681 0.175E-02 902 T= 7248. E= 0.67450760E+03 F= 0.62691693E+03 E0= 0.65552686E+03 EK= 0.59025E+02 SP= -.11E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329609037964E+03 -0.25696E+00 -0.16286E-01 8992 0.256E+01 0.191E-01 RMM: 2 -0.329628588544E+03 -0.19551E-01 -0.16361E-01 5528 0.841E-01 0.831E-01 RMM: 3 -0.329622399646E+03 0.61889E-02 -0.11444E-02 5977 0.210E-01 0.170E-01 RMM: 4 -0.329622169081E+03 0.23057E-03 -0.78461E-04 4777 0.609E-02 0.143E-01 RMM: 5 -0.329622029869E+03 0.13921E-03 -0.12621E-04 3843 0.293E-02 0.746E-02 RMM: 6 -0.329622013563E+03 0.16306E-04 -0.25942E-05 2617 0.151E-02 903 T= 7302. E= 0.67450219E+03 F= 0.62664698E+03 E0= 0.65525033E+03 EK= 0.59464E+02 SP= -.12E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329431244894E+03 0.19078E+00 -0.16444E-01 8840 0.256E+01 0.212E-01 RMM: 2 -0.329456329164E+03 -0.25084E-01 -0.17334E-01 5518 0.868E-01 0.116E+00 RMM: 3 -0.329445676355E+03 0.10653E-01 -0.13361E-02 5534 0.243E-01 0.215E-01 RMM: 4 -0.329445331316E+03 0.34504E-03 -0.11056E-03 5164 0.647E-02 0.108E-01 RMM: 5 -0.329445258128E+03 0.73188E-04 -0.98508E-05 3901 0.262E-02 0.883E-02 RMM: 6 -0.329445244735E+03 0.13393E-04 -0.24308E-05 2559 0.146E-02 904 T= 7297. E= 0.67450055E+03 F= 0.62682374E+03 E0= 0.65542128E+03 EK= 0.59426E+02 SP= -.12E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328794067359E+03 0.65119E+00 -0.16448E-01 8720 0.256E+01 0.366E-01 RMM: 2 -0.328841782992E+03 -0.47716E-01 -0.16920E-01 5279 0.900E-01 0.220E+00 RMM: 3 -0.328807354737E+03 0.34428E-01 -0.20300E-02 5385 0.334E-01 0.375E-01 RMM: 4 -0.328806352324E+03 0.10024E-02 -0.23777E-03 5144 0.979E-02 0.111E-01 RMM: 5 -0.328806294178E+03 0.58146E-04 -0.26608E-04 4870 0.306E-02 0.102E-01 RMM: 6 -0.328806252668E+03 0.41511E-04 -0.25958E-05 2619 0.156E-02 0.810E-02 RMM: 7 -0.328806285838E+03 -0.33171E-04 -0.58538E-05 3340 0.207E-02 0.113E-01 RMM: 8 -0.328806208451E+03 0.77387E-04 -0.16264E-04 3895 0.258E-02 0.499E-02 RMM: 9 -0.328806203906E+03 0.45453E-05 -0.36045E-05 2940 0.161E-02 905 T= 7232. E= 0.67450280E+03 F= 0.62746279E+03 E0= 0.65605611E+03 EK= 0.58894E+02 SP= -.12E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327738771799E+03 0.10674E+01 -0.17106E-01 8488 0.255E+01 0.339E-01 RMM: 2 -0.327780634132E+03 -0.41862E-01 -0.19103E-01 5297 0.928E-01 0.191E+00 RMM: 3 -0.327753871733E+03 0.26762E-01 -0.18638E-02 5407 0.314E-01 0.284E-01 RMM: 4 -0.327753590452E+03 0.28128E-03 -0.24241E-03 5280 0.107E-01 0.232E-01 RMM: 5 -0.327753398949E+03 0.19150E-03 -0.36227E-04 3943 0.454E-02 0.167E-01 RMM: 6 -0.327753218061E+03 0.18089E-03 -0.11656E-04 3810 0.300E-02 0.516E-02 RMM: 7 -0.327753254691E+03 -0.36630E-04 -0.49745E-05 3218 0.191E-02 0.883E-02 RMM: 8 -0.327753219107E+03 0.35583E-04 -0.43250E-05 2969 0.201E-02 0.366E-02 RMM: 9 -0.327753215953E+03 0.31546E-05 -0.14610E-05 2493 0.112E-02 906 T= 7113. E= 0.67451070E+03 F= 0.62851577E+03 E0= 0.65710421E+03 EK= 0.57922E+02 SP= -.12E+02 SK= 0.60E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326388799021E+03 0.13644E+01 -0.16139E-01 8200 0.252E+01 0.222E-01 RMM: 2 -0.326413785286E+03 -0.24986E-01 -0.17740E-01 5505 0.901E-01 0.113E+00 RMM: 3 -0.326403977437E+03 0.98078E-02 -0.14587E-02 5598 0.247E-01 0.221E-01 RMM: 4 -0.326403559819E+03 0.41762E-03 -0.10784E-03 4865 0.698E-02 0.117E-01 RMM: 5 -0.326403470622E+03 0.89197E-04 -0.13406E-04 3980 0.288E-02 0.855E-02 RMM: 6 -0.326403431771E+03 0.38851E-04 -0.28569E-05 2705 0.159E-02 0.600E-02 RMM: 7 -0.326403429460E+03 0.23111E-05 -0.61770E-05 3300 0.201E-02 907 T= 6954. E= 0.67452267E+03 F= 0.62986556E+03 E0= 0.65845061E+03 EK= 0.56631E+02 SP= -.12E+02 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324913677724E+03 0.14898E+01 -0.14759E-01 8352 0.249E+01 0.188E-01 RMM: 2 -0.324934598087E+03 -0.20920E-01 -0.16959E-01 5398 0.893E-01 0.875E-01 RMM: 3 -0.324928422340E+03 0.61757E-02 -0.15564E-02 5868 0.235E-01 0.184E-01 RMM: 4 -0.324928009231E+03 0.41311E-03 -0.84285E-04 4819 0.635E-02 0.112E-01 RMM: 5 -0.324927935076E+03 0.74155E-04 -0.10486E-04 3829 0.270E-02 0.780E-02 RMM: 6 -0.324927918946E+03 0.16131E-04 -0.25251E-05 2581 0.151E-02 908 T= 6778. E= 0.67453638E+03 F= 0.63134107E+03 E0= 0.65992361E+03 EK= 0.55196E+02 SP= -.12E+02 SK= 0.81E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323506428050E+03 0.14215E+01 -0.14911E-01 7816 0.246E+01 0.280E-01 RMM: 2 -0.323540946354E+03 -0.34518E-01 -0.18988E-01 5063 0.984E-01 0.160E+00 RMM: 3 -0.323522795019E+03 0.18151E-01 -0.21369E-02 5565 0.303E-01 0.294E-01 RMM: 4 -0.323522065569E+03 0.72945E-03 -0.17351E-03 5087 0.833E-02 0.113E-01 RMM: 5 -0.323522006036E+03 0.59532E-04 -0.19609E-04 4454 0.311E-02 0.928E-02 RMM: 6 -0.323521975973E+03 0.30063E-04 -0.27889E-05 2628 0.153E-02 0.829E-02 RMM: 7 -0.323522006024E+03 -0.30051E-04 -0.68874E-05 3482 0.221E-02 0.115E-01 RMM: 8 -0.323521923879E+03 0.82144E-04 -0.15194E-04 3899 0.271E-02 0.497E-02 RMM: 9 -0.323521912604E+03 0.11275E-04 -0.28674E-05 2667 0.147E-02 909 T= 6609. E= 0.67454937E+03 F= 0.63274708E+03 E0= 0.66132776E+03 EK= 0.53818E+02 SP= -.12E+02 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322358035669E+03 0.11639E+01 -0.13005E-01 7808 0.243E+01 0.359E-01 RMM: 2 -0.322393972499E+03 -0.35937E-01 -0.13729E-01 5021 0.873E-01 0.191E+00 RMM: 3 -0.322368534602E+03 0.25438E-01 -0.18106E-02 5420 0.307E-01 0.307E-01 RMM: 4 -0.322368020561E+03 0.51404E-03 -0.21849E-03 5025 0.100E-01 0.188E-01 RMM: 5 -0.322367998517E+03 0.22043E-04 -0.35938E-04 3943 0.444E-02 0.185E-01 RMM: 6 -0.322367767495E+03 0.23102E-03 -0.13141E-04 3846 0.324E-02 0.447E-02 RMM: 7 -0.322367776855E+03 -0.93602E-05 -0.30758E-05 2801 0.160E-02 910 T= 6470. E= 0.67455947E+03 F= 0.63390121E+03 E0= 0.66248164E+03 EK= 0.52685E+02 SP= -.12E+02 SK= 0.25E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.321594140922E+03 0.77363E+00 -0.12102E-01 7672 0.241E+01 0.227E-01 RMM: 2 -0.321615413059E+03 -0.21272E-01 -0.12806E-01 4949 0.841E-01 0.122E+00 RMM: 3 -0.321605110316E+03 0.10303E-01 -0.14837E-02 5591 0.252E-01 0.232E-01 RMM: 4 -0.321604667757E+03 0.44256E-03 -0.11223E-03 4891 0.685E-02 0.801E-02 RMM: 5 -0.321604640977E+03 0.26779E-04 -0.14042E-04 4166 0.288E-02 0.815E-02 RMM: 6 -0.321604604730E+03 0.36247E-04 -0.27360E-05 2593 0.154E-02 0.517E-02 RMM: 7 -0.321604615029E+03 -0.10299E-04 -0.34499E-05 2848 0.175E-02 911 T= 6378. E= 0.67456543E+03 F= 0.63466437E+03 E0= 0.66324559E+03 EK= 0.51940E+02 SP= -.12E+02 SK= 0.40E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.321305647298E+03 0.29896E+00 -0.11080E-01 7600 0.240E+01 0.248E-01 RMM: 2 -0.321325012317E+03 -0.19365E-01 -0.10539E-01 5039 0.778E-01 0.125E+00 RMM: 3 -0.321314125694E+03 0.10887E-01 -0.12248E-02 5554 0.236E-01 0.226E-01 RMM: 4 -0.321313737404E+03 0.38829E-03 -0.10719E-03 4728 0.688E-02 0.974E-02 RMM: 5 -0.321313717697E+03 0.19707E-04 -0.15026E-04 3894 0.304E-02 912 T= 6345. E= 0.67456758E+03 F= 0.63495527E+03 E0= 0.66353806E+03 EK= 0.51667E+02 SP= -.12E+02 SK= 0.76E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.321505383964E+03 -0.19165E+00 -0.11500E-01 7680 0.240E+01 0.191E-01 RMM: 2 -0.321521655156E+03 -0.16271E-01 -0.12791E-01 4964 0.840E-01 0.854E-01 RMM: 3 -0.321516584917E+03 0.50702E-02 -0.14675E-02 5884 0.229E-01 0.180E-01 RMM: 4 -0.321516202810E+03 0.38211E-03 -0.77178E-04 5225 0.566E-02 0.933E-02 RMM: 5 -0.321516144503E+03 0.58307E-04 -0.85802E-05 3635 0.255E-02 0.827E-02 RMM: 6 -0.321516128199E+03 0.16304E-04 -0.29042E-05 2591 0.162E-02 913 T= 6372. E= 0.67456631E+03 F= 0.63475286E+03 E0= 0.66333817E+03 EK= 0.51890E+02 SP= -.12E+02 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322168238441E+03 -0.65209E+00 -0.12144E-01 7648 0.241E+01 0.364E-01 RMM: 2 -0.322210787055E+03 -0.42549E-01 -0.15546E-01 4847 0.950E-01 0.210E+00 RMM: 3 -0.322180681932E+03 0.30105E-01 -0.21768E-02 5416 0.338E-01 0.354E-01 RMM: 4 -0.322179807234E+03 0.87470E-03 -0.24006E-03 5242 0.941E-02 0.995E-02 RMM: 5 -0.322179803831E+03 0.34034E-05 -0.27260E-04 3975 0.359E-02 0.115E-01 RMM: 6 -0.322179722247E+03 0.81584E-04 -0.57992E-05 3313 0.216E-02 0.475E-02 RMM: 7 -0.322179724346E+03 -0.20998E-05 -0.22313E-05 2547 0.139E-02 914 T= 6456. E= 0.67456133E+03 F= 0.63408926E+03 E0= 0.66267877E+03 EK= 0.52576E+02 SP= -.12E+02 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323217043520E+03 -0.10373E+01 -0.12309E-01 7664 0.242E+01 0.381E-01 RMM: 2 -0.323262369779E+03 -0.45326E-01 -0.15199E-01 5071 0.941E-01 0.221E+00 RMM: 3 -0.323228791634E+03 0.33578E-01 -0.20664E-02 5422 0.333E-01 0.342E-01 RMM: 4 -0.323227978995E+03 0.81264E-03 -0.24563E-03 5055 0.102E-01 0.146E-01 RMM: 5 -0.323227906831E+03 0.72164E-04 -0.31590E-04 3909 0.411E-02 0.132E-01 RMM: 6 -0.323227790344E+03 0.11649E-03 -0.80971E-05 3619 0.252E-02 0.534E-02 RMM: 7 -0.323227788873E+03 0.14716E-05 -0.26417E-05 2606 0.149E-02 915 T= 6588. E= 0.67455401E+03 F= 0.63304120E+03 E0= 0.66163538E+03 EK= 0.53645E+02 SP= -.12E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324539618337E+03 -0.13118E+01 -0.12617E-01 8128 0.244E+01 0.258E-01 RMM: 2 -0.324564369377E+03 -0.24751E-01 -0.13683E-01 5106 0.845E-01 0.137E+00 RMM: 3 -0.324550992560E+03 0.13377E-01 -0.15037E-02 5548 0.260E-01 0.265E-01 RMM: 4 -0.324550458607E+03 0.53395E-03 -0.13483E-03 4825 0.751E-02 0.104E-01 RMM: 5 -0.324550394022E+03 0.64585E-04 -0.17029E-04 4089 0.312E-02 0.878E-02 RMM: 6 -0.324550356033E+03 0.37989E-04 -0.31001E-05 2662 0.167E-02 0.608E-02 RMM: 7 -0.324550354880E+03 0.11527E-05 -0.29798E-05 2638 0.163E-02 916 T= 6752. E= 0.67454496E+03 F= 0.63171863E+03 E0= 0.66031899E+03 EK= 0.54985E+02 SP= -.12E+02 SK= 0.87E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326006000795E+03 -0.14556E+01 -0.12998E-01 8368 0.247E+01 0.233E-01 RMM: 2 -0.326026766073E+03 -0.20765E-01 -0.13701E-01 5140 0.839E-01 0.115E+00 RMM: 3 -0.326017466935E+03 0.92991E-02 -0.14546E-02 5831 0.235E-01 0.194E-01 RMM: 4 -0.326017131114E+03 0.33582E-03 -0.10160E-03 4724 0.705E-02 0.151E-01 RMM: 5 -0.326016980713E+03 0.15040E-03 -0.16350E-04 3893 0.334E-02 0.782E-02 RMM: 6 -0.326016952238E+03 0.28475E-04 -0.32778E-05 2833 0.170E-02 0.558E-02 RMM: 7 -0.326016941672E+03 0.10567E-04 -0.30220E-05 2618 0.163E-02 917 T= 6933. E= 0.67453496E+03 F= 0.63025205E+03 E0= 0.65885861E+03 EK= 0.56458E+02 SP= -.12E+02 SK= 0.12E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327478078445E+03 -0.14611E+01 -0.13870E-01 8272 0.250E+01 0.185E-01 RMM: 2 -0.327495134931E+03 -0.17056E-01 -0.14400E-01 5098 0.849E-01 0.780E-01 RMM: 3 -0.327490486805E+03 0.46481E-02 -0.14910E-02 6134 0.223E-01 0.171E-01 RMM: 4 -0.327490117773E+03 0.36903E-03 -0.75343E-04 4689 0.642E-02 0.142E-01 RMM: 5 -0.327489973936E+03 0.14384E-03 -0.13580E-04 3829 0.311E-02 0.763E-02 RMM: 6 -0.327489951315E+03 0.22621E-04 -0.29485E-05 2710 0.160E-02 0.627E-02 RMM: 7 -0.327489920074E+03 0.31240E-04 -0.48122E-05 2828 0.187E-02 0.582E-02 RMM: 8 -0.327489897413E+03 0.22661E-04 -0.38525E-05 2693 0.159E-02 0.340E-02 RMM: 9 -0.327489901479E+03 -0.40659E-05 -0.27513E-05 2571 0.135E-02 918 T= 7113. E= 0.67452462E+03 F= 0.62877909E+03 E0= 0.65739165E+03 EK= 0.57920E+02 SP= -.12E+02 SK= 0.30E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328822464997E+03 -0.13326E+01 -0.14545E-01 8328 0.253E+01 0.209E-01 RMM: 2 -0.328840234078E+03 -0.17769E-01 -0.15116E-01 5083 0.859E-01 0.800E-01 RMM: 3 -0.328835153738E+03 0.50803E-02 -0.15036E-02 6186 0.220E-01 0.145E-01 RMM: 4 -0.328834984448E+03 0.16929E-03 -0.87847E-04 4726 0.724E-02 0.212E-01 RMM: 5 -0.328834685513E+03 0.29893E-03 -0.20272E-04 3885 0.393E-02 0.645E-02 RMM: 6 -0.328834663762E+03 0.21751E-04 -0.34803E-05 2943 0.176E-02 0.433E-02 RMM: 7 -0.328834653266E+03 0.10496E-04 -0.24472E-05 2580 0.144E-02 919 T= 7273. E= 0.67451492E+03 F= 0.62743434E+03 E0= 0.65604913E+03 EK= 0.59229E+02 SP= -.12E+02 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329915695420E+03 -0.10810E+01 -0.14719E-01 8400 0.256E+01 0.163E-01 RMM: 2 -0.329932113182E+03 -0.16418E-01 -0.14583E-01 5137 0.839E-01 0.671E-01 RMM: 3 -0.329928145427E+03 0.39678E-02 -0.13576E-02 6292 0.213E-01 0.162E-01 RMM: 4 -0.329927745713E+03 0.39971E-03 -0.58432E-04 4564 0.562E-02 0.104E-01 RMM: 5 -0.329927669003E+03 0.76709E-04 -0.80212E-05 3563 0.266E-02 0.695E-02 RMM: 6 -0.329927659071E+03 0.99324E-05 -0.25969E-05 2578 0.143E-02 920 T= 7399. E= 0.67450715E+03 F= 0.62634133E+03 E0= 0.65495471E+03 EK= 0.60253E+02 SP= -.12E+02 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330659778829E+03 -0.73211E+00 -0.15163E-01 8584 0.259E+01 0.231E-01 RMM: 2 -0.330684990176E+03 -0.25211E-01 -0.14298E-01 5004 0.831E-01 0.134E+00 RMM: 3 -0.330671489422E+03 0.13501E-01 -0.14502E-02 5548 0.260E-01 0.220E-01 RMM: 4 -0.330671114893E+03 0.37453E-03 -0.11831E-03 4985 0.689E-02 0.995E-02 RMM: 5 -0.330671048672E+03 0.66221E-04 -0.12753E-04 4020 0.304E-02 0.696E-02 RMM: 6 -0.330671030036E+03 0.18636E-04 -0.25529E-05 2568 0.144E-02 921 T= 7477. E= 0.67450242E+03 F= 0.62559796E+03 E0= 0.65420734E+03 EK= 0.60891E+02 SP= -.12E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330998813329E+03 -0.32776E+00 -0.15686E-01 8248 0.260E+01 0.370E-01 RMM: 2 -0.331042556522E+03 -0.43743E-01 -0.15225E-01 4971 0.896E-01 0.216E+00 RMM: 3 -0.331010490772E+03 0.32066E-01 -0.20518E-02 5417 0.338E-01 0.355E-01 RMM: 4 -0.331009578479E+03 0.91229E-03 -0.23376E-03 5162 0.996E-02 0.116E-01 RMM: 5 -0.331009508130E+03 0.70349E-04 -0.24610E-04 4003 0.346E-02 0.998E-02 RMM: 6 -0.331009449096E+03 0.59034E-04 -0.41727E-05 3001 0.189E-02 0.633E-02 RMM: 7 -0.331009455658E+03 -0.65626E-05 -0.40164E-05 2894 0.174E-02 922 T= 7501. E= 0.67450065E+03 F= 0.62525953E+03 E0= 0.65386159E+03 EK= 0.61083E+02 SP= -.12E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330924814564E+03 0.84635E-01 -0.15510E-01 8184 0.261E+01 0.294E-01 RMM: 2 -0.330953845267E+03 -0.29031E-01 -0.14124E-01 4953 0.847E-01 0.155E+00 RMM: 3 -0.330936373028E+03 0.17472E-01 -0.17232E-02 5422 0.299E-01 0.318E-01 RMM: 4 -0.330935707176E+03 0.66585E-03 -0.18239E-03 5074 0.878E-02 0.116E-01 RMM: 5 -0.330935691760E+03 0.15416E-04 -0.23157E-04 3945 0.356E-02 0.122E-01 RMM: 6 -0.330935599154E+03 0.92605E-04 -0.57766E-05 3302 0.224E-02 0.492E-02 RMM: 7 -0.330935600420E+03 -0.12653E-05 -0.21100E-05 2542 0.140E-02 923 T= 7469. E= 0.67450298E+03 F= 0.62533339E+03 E0= 0.65392887E+03 EK= 0.60823E+02 SP= -.12E+02 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330480592402E+03 0.45501E+00 -0.15497E-01 7936 0.261E+01 0.293E-01 RMM: 2 -0.330509818919E+03 -0.29227E-01 -0.14846E-01 4937 0.882E-01 0.154E+00 RMM: 3 -0.330492718368E+03 0.17101E-01 -0.17499E-02 5468 0.295E-01 0.312E-01 RMM: 4 -0.330492005226E+03 0.71314E-03 -0.16630E-03 4971 0.837E-02 0.107E-01 RMM: 5 -0.330491954366E+03 0.50860E-04 -0.20408E-04 3940 0.354E-02 0.934E-02 RMM: 6 -0.330491898478E+03 0.55888E-04 -0.41112E-05 3011 0.185E-02 0.564E-02 RMM: 7 -0.330491895606E+03 0.28718E-05 -0.24248E-05 2562 0.153E-02 924 T= 7387. E= 0.67450870E+03 F= 0.62577709E+03 E0= 0.65436740E+03 EK= 0.60156E+02 SP= -.12E+02 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329748138878E+03 0.74376E+00 -0.14956E-01 7920 0.259E+01 0.288E-01 RMM: 2 -0.329776688681E+03 -0.28550E-01 -0.14546E-01 4850 0.905E-01 0.151E+00 RMM: 3 -0.329760356716E+03 0.16332E-01 -0.17969E-02 5460 0.293E-01 0.286E-01 RMM: 4 -0.329759750157E+03 0.60656E-03 -0.16584E-03 4978 0.834E-02 0.111E-01 RMM: 5 -0.329759705589E+03 0.44568E-04 -0.22066E-04 4009 0.360E-02 0.949E-02 RMM: 6 -0.329759647890E+03 0.57698E-04 -0.46307E-05 3099 0.199E-02 0.495E-02 RMM: 7 -0.329759649969E+03 -0.20793E-05 -0.20952E-05 2534 0.142E-02 925 T= 7265. E= 0.67451548E+03 F= 0.62650934E+03 E0= 0.65509957E+03 EK= 0.59166E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328821296519E+03 0.93835E+00 -0.14967E-01 7744 0.257E+01 0.264E-01 RMM: 2 -0.328845621113E+03 -0.24325E-01 -0.14890E-01 4786 0.927E-01 0.129E+00 RMM: 3 -0.328833844744E+03 0.11776E-01 -0.17865E-02 5510 0.286E-01 0.265E-01 RMM: 4 -0.328833308351E+03 0.53639E-03 -0.14496E-03 4984 0.789E-02 0.102E-01 RMM: 5 -0.328833284896E+03 0.23455E-04 -0.20303E-04 3963 0.360E-02 0.101E-01 RMM: 6 -0.328833218428E+03 0.66468E-04 -0.51670E-05 3201 0.207E-02 0.414E-02 RMM: 7 -0.328833218321E+03 0.10766E-06 -0.18227E-05 2524 0.134E-02 926 T= 7117. E= 0.67452229E+03 F= 0.62743577E+03 E0= 0.65603158E+03 EK= 0.57954E+02 SP= -.11E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327786202755E+03 0.10470E+01 -0.13281E-01 7824 0.254E+01 0.232E-01 RMM: 2 -0.327805986735E+03 -0.19784E-01 -0.11583E-01 4839 0.813E-01 0.119E+00 RMM: 3 -0.327796001670E+03 0.99851E-02 -0.13708E-02 5520 0.247E-01 0.200E-01 RMM: 4 -0.327795699062E+03 0.30261E-03 -0.10573E-03 4793 0.680E-02 0.116E-01 RMM: 5 -0.327795637447E+03 0.61615E-04 -0.15676E-04 3896 0.332E-02 0.823E-02 RMM: 6 -0.327795594929E+03 0.42518E-04 -0.40924E-05 3027 0.189E-02 0.404E-02 RMM: 7 -0.327795601001E+03 -0.60719E-05 -0.22001E-05 2540 0.142E-02 927 T= 6952. E= 0.67452768E+03 F= 0.62847339E+03 E0= 0.65708135E+03 EK= 0.56611E+02 SP= -.11E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326695758669E+03 0.10998E+01 -0.13107E-01 7896 0.251E+01 0.195E-01 RMM: 2 -0.326711402022E+03 -0.15643E-01 -0.11510E-01 4820 0.795E-01 0.897E-01 RMM: 3 -0.326705549754E+03 0.58523E-02 -0.12959E-02 5737 0.229E-01 0.190E-01 RMM: 4 -0.326705219262E+03 0.33049E-03 -0.82804E-04 4746 0.637E-02 0.103E-01 RMM: 5 -0.326705171989E+03 0.47273E-04 -0.12931E-04 3844 0.306E-02 0.783E-02 RMM: 6 -0.326705136473E+03 0.35517E-04 -0.32749E-05 2860 0.171E-02 0.404E-02 RMM: 7 -0.326705141885E+03 -0.54122E-05 -0.19721E-05 2520 0.140E-02 928 T= 6779. E= 0.67453166E+03 F= 0.62956385E+03 E0= 0.65818895E+03 EK= 0.55202E+02 SP= -.10E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325586953104E+03 0.11182E+01 -0.14076E-01 8008 0.248E+01 0.176E-01 RMM: 2 -0.325604479833E+03 -0.17527E-01 -0.14412E-01 4865 0.870E-01 0.808E-01 RMM: 3 -0.325599619446E+03 0.48604E-02 -0.15784E-02 5989 0.230E-01 0.155E-01 RMM: 4 -0.325599267681E+03 0.35176E-03 -0.75125E-04 4802 0.634E-02 0.122E-01 RMM: 5 -0.325599174096E+03 0.93585E-04 -0.10904E-04 3706 0.290E-02 0.674E-02 RMM: 6 -0.325599156256E+03 0.17840E-04 -0.28264E-05 2655 0.160E-02 929 T= 6604. E= 0.67453579E+03 F= 0.63066983E+03 E0= 0.65931498E+03 EK= 0.53776E+02 SP= -.10E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324497843072E+03 0.11013E+01 -0.14118E-01 8056 0.244E+01 0.214E-01 RMM: 2 -0.324519424869E+03 -0.21582E-01 -0.14098E-01 5036 0.825E-01 0.113E+00 RMM: 3 -0.324510006027E+03 0.94188E-02 -0.14647E-02 5563 0.248E-01 0.233E-01 RMM: 4 -0.324509545388E+03 0.46064E-03 -0.11356E-03 4941 0.690E-02 0.994E-02 RMM: 5 -0.324509489977E+03 0.55411E-04 -0.12492E-04 4114 0.277E-02 0.805E-02 RMM: 6 -0.324509470744E+03 0.19233E-04 -0.22133E-05 2563 0.137E-02 930 T= 6431. E= 0.67454037E+03 F= 0.63175952E+03 E0= 0.66042461E+03 EK= 0.52370E+02 SP= -.98E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323465492229E+03 0.10440E+01 -0.14633E-01 8680 0.239E+01 0.368E-01 RMM: 2 -0.323510540701E+03 -0.45048E-01 -0.13918E-01 5158 0.831E-01 0.222E+00 RMM: 3 -0.323476147610E+03 0.34393E-01 -0.18895E-02 5382 0.325E-01 0.357E-01 RMM: 4 -0.323475226203E+03 0.92141E-03 -0.22930E-03 4963 0.936E-02 0.115E-01 RMM: 5 -0.323475163936E+03 0.62266E-04 -0.23275E-04 4458 0.325E-02 0.100E-01 RMM: 6 -0.323475120805E+03 0.43131E-04 -0.27867E-05 2656 0.156E-02 0.808E-02 RMM: 7 -0.323475150084E+03 -0.29279E-04 -0.55995E-05 3307 0.214E-02 0.110E-01 RMM: 8 -0.323475092464E+03 0.57620E-04 -0.17222E-04 3934 0.278E-02 0.698E-02 RMM: 9 -0.323475063210E+03 0.29254E-04 -0.32476E-05 2753 0.157E-02 0.239E-02 RMM: 10 -0.323475069785E+03 -0.65754E-05 -0.13347E-05 2479 0.112E-02 931 T= 6267. E= 0.67454593E+03 F= 0.63279392E+03 E0= 0.66147694E+03 EK= 0.51032E+02 SP= -.95E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322539282630E+03 0.93578E+00 -0.15377E-01 8512 0.236E+01 0.285E-01 RMM: 2 -0.322566314274E+03 -0.27032E-01 -0.15826E-01 5171 0.810E-01 0.136E+00 RMM: 3 -0.322551974815E+03 0.14339E-01 -0.15408E-02 5434 0.270E-01 0.280E-01 RMM: 4 -0.322551712221E+03 0.26259E-03 -0.19750E-03 5049 0.985E-02 0.226E-01 RMM: 5 -0.322551496988E+03 0.21523E-03 -0.35502E-04 3946 0.466E-02 0.158E-01 RMM: 6 -0.322551329392E+03 0.16760E-03 -0.10493E-04 3774 0.289E-02 0.419E-02 RMM: 7 -0.322551355816E+03 -0.26424E-04 -0.40363E-05 3045 0.177E-02 0.774E-02 RMM: 8 -0.322551322417E+03 0.33399E-04 -0.32061E-05 2662 0.179E-02 0.296E-02 RMM: 9 -0.322551319219E+03 0.31979E-05 -0.95694E-06 2468 0.882E-03 932 T= 6118. E= 0.67455145E+03 F= 0.63371767E+03 E0= 0.66241336E+03 EK= 0.49820E+02 SP= -.92E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321789712166E+03 0.76161E+00 -0.16277E-01 8848 0.232E+01 0.165E-01 RMM: 2 -0.321808872698E+03 -0.19161E-01 -0.15455E-01 5305 0.802E-01 0.838E-01 RMM: 3 -0.321802712105E+03 0.61606E-02 -0.12568E-02 6136 0.207E-01 0.159E-01 RMM: 4 -0.321802379862E+03 0.33224E-03 -0.62325E-04 4609 0.554E-02 0.981E-02 RMM: 5 -0.321802313792E+03 0.66070E-04 -0.77786E-05 3562 0.235E-02 0.667E-02 RMM: 6 -0.321802302628E+03 0.11163E-04 -0.21902E-05 2562 0.140E-02 933 T= 5993. E= 0.67455628E+03 F= 0.63446669E+03 E0= 0.66316914E+03 EK= 0.48803E+02 SP= -.89E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321275323404E+03 0.52699E+00 -0.17551E-01 8888 0.229E+01 0.217E-01 RMM: 2 -0.321299447102E+03 -0.24124E-01 -0.15863E-01 5510 0.802E-01 0.119E+00 RMM: 3 -0.321288503355E+03 0.10944E-01 -0.11795E-02 5527 0.231E-01 0.213E-01 RMM: 4 -0.321288160737E+03 0.34262E-03 -0.10817E-03 5285 0.615E-02 0.102E-01 RMM: 5 -0.321288096339E+03 0.64398E-04 -0.82521E-05 3628 0.246E-02 0.842E-02 RMM: 6 -0.321288074925E+03 0.21413E-04 -0.23737E-05 2567 0.142E-02 0.806E-02 RMM: 7 -0.321288133268E+03 -0.58343E-04 -0.14266E-04 3891 0.295E-02 0.137E-01 RMM: 8 -0.321288006116E+03 0.12715E-03 -0.15206E-04 3890 0.268E-02 0.387E-02 RMM: 9 -0.321287999575E+03 0.65407E-05 -0.18634E-05 2576 0.114E-02 934 T= 5899. E= 0.67455960E+03 F= 0.63498099E+03 E0= 0.66368463E+03 EK= 0.48041E+02 SP= -.86E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321035371711E+03 0.25263E+00 -0.19158E-01 8768 0.227E+01 0.271E-01 RMM: 2 -0.321062268648E+03 -0.26897E-01 -0.19513E-01 5149 0.915E-01 0.116E+00 RMM: 3 -0.321051463604E+03 0.10805E-01 -0.16185E-02 5685 0.261E-01 0.249E-01 RMM: 4 -0.321051112847E+03 0.35076E-03 -0.16149E-03 4941 0.906E-02 0.194E-01 RMM: 5 -0.321050954178E+03 0.15867E-03 -0.28185E-04 3893 0.411E-02 0.133E-01 RMM: 6 -0.321050839083E+03 0.11510E-03 -0.77010E-05 3511 0.253E-02 0.424E-02 RMM: 7 -0.321050862615E+03 -0.23532E-04 -0.39260E-05 2997 0.174E-02 0.755E-02 RMM: 8 -0.321050831716E+03 0.30899E-04 -0.42621E-05 2866 0.197E-02 0.326E-02 RMM: 9 -0.321050826797E+03 0.49190E-05 -0.10917E-05 2471 0.957E-03 935 T= 5843. E= 0.67456064E+03 F= 0.63521816E+03 E0= 0.66391804E+03 EK= 0.47578E+02 SP= -.83E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321088615728E+03 -0.37784E-01 -0.19342E-01 8752 0.226E+01 0.200E-01 RMM: 2 -0.321113126289E+03 -0.24511E-01 -0.19033E-01 5200 0.913E-01 0.990E-01 RMM: 3 -0.321105075352E+03 0.80509E-02 -0.15993E-02 5946 0.245E-01 0.195E-01 RMM: 4 -0.321104620293E+03 0.45506E-03 -0.93755E-04 4829 0.668E-02 0.943E-02 RMM: 5 -0.321104570930E+03 0.49363E-04 -0.12640E-04 3957 0.285E-02 0.741E-02 RMM: 6 -0.321104536466E+03 0.34464E-04 -0.27131E-05 2632 0.155E-02 0.437E-02 RMM: 7 -0.321104539758E+03 -0.32926E-05 -0.29780E-05 2673 0.159E-02 936 T= 5824. E= 0.67455896E+03 F= 0.63516445E+03 E0= 0.66385762E+03 EK= 0.47427E+02 SP= -.81E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321419796468E+03 -0.31526E+00 -0.18375E-01 8848 0.227E+01 0.148E-01 RMM: 2 -0.321439678539E+03 -0.19882E-01 -0.17942E-01 5270 0.887E-01 0.646E-01 RMM: 3 -0.321435598388E+03 0.40802E-02 -0.15054E-02 6263 0.221E-01 0.146E-01 RMM: 4 -0.321435198822E+03 0.39957E-03 -0.64457E-04 4640 0.587E-02 0.925E-02 RMM: 5 -0.321435137276E+03 0.61546E-04 -0.85799E-05 3478 0.262E-02 0.571E-02 RMM: 6 -0.321435125386E+03 0.11889E-04 -0.24410E-05 2567 0.149E-02 937 T= 5842. E= 0.67455554E+03 F= 0.63483386E+03 E0= 0.66351876E+03 EK= 0.47575E+02 SP= -.79E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321993715436E+03 -0.55858E+00 -0.16887E-01 8576 0.229E+01 0.238E-01 RMM: 2 -0.322021507890E+03 -0.27792E-01 -0.18585E-01 5104 0.920E-01 0.124E+00 RMM: 3 -0.322009566690E+03 0.11941E-01 -0.17639E-02 5715 0.265E-01 0.247E-01 RMM: 4 -0.322008958071E+03 0.60862E-03 -0.12507E-03 4925 0.741E-02 0.888E-02 RMM: 5 -0.322008915549E+03 0.42523E-04 -0.16240E-04 4245 0.291E-02 0.864E-02 RMM: 6 -0.322008873596E+03 0.41953E-04 -0.30321E-05 2688 0.164E-02 0.561E-02 RMM: 7 -0.322008880457E+03 -0.68614E-05 -0.37022E-05 2933 0.177E-02 938 T= 5893. E= 0.67455180E+03 F= 0.63426011E+03 E0= 0.66293736E+03 EK= 0.47988E+02 SP= -.77E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322771098665E+03 -0.76223E+00 -0.14935E-01 8552 0.231E+01 0.288E-01 RMM: 2 -0.322803076683E+03 -0.31978E-01 -0.16691E-01 4958 0.910E-01 0.157E+00 RMM: 3 -0.322785140126E+03 0.17937E-01 -0.18014E-02 5597 0.280E-01 0.273E-01 RMM: 4 -0.322784528804E+03 0.61132E-03 -0.16679E-03 4852 0.873E-02 0.127E-01 RMM: 5 -0.322784512895E+03 0.15909E-04 -0.25497E-04 3916 0.385E-02 0.125E-01 RMM: 6 -0.322784408024E+03 0.10487E-03 -0.68656E-05 3438 0.238E-02 0.419E-02 RMM: 7 -0.322784411291E+03 -0.32667E-05 -0.22852E-05 2579 0.147E-02 939 T= 5971. E= 0.67454850E+03 F= 0.63348458E+03 E0= 0.66215524E+03 EK= 0.48622E+02 SP= -.76E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323712110046E+03 -0.92770E+00 -0.14011E-01 8352 0.234E+01 0.234E-01 RMM: 2 -0.323737863048E+03 -0.25753E-01 -0.15536E-01 5101 0.863E-01 0.130E+00 RMM: 3 -0.323725167890E+03 0.12695E-01 -0.15609E-02 5669 0.251E-01 0.193E-01 RMM: 4 -0.323724795558E+03 0.37233E-03 -0.11071E-03 4844 0.698E-02 0.115E-01 RMM: 5 -0.323724717715E+03 0.77843E-04 -0.14744E-04 4006 0.290E-02 0.876E-02 RMM: 6 -0.323724676370E+03 0.41345E-04 -0.34842E-05 2895 0.177E-02 0.538E-02 RMM: 7 -0.323724678529E+03 -0.21587E-05 -0.32432E-05 2671 0.166E-02 940 T= 6071. E= 0.67454537E+03 F= 0.63254431E+03 E0= 0.66121110E+03 EK= 0.49437E+02 SP= -.75E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324786587677E+03 -0.10619E+01 -0.12834E-01 8440 0.237E+01 0.204E-01 RMM: 2 -0.324805419107E+03 -0.18831E-01 -0.13825E-01 4998 0.836E-01 0.956E-01 RMM: 3 -0.324798702290E+03 0.67168E-02 -0.15041E-02 5944 0.228E-01 0.200E-01 RMM: 4 -0.324798230785E+03 0.47150E-03 -0.86368E-04 4748 0.649E-02 0.101E-01 RMM: 5 -0.324798187513E+03 0.43271E-04 -0.13165E-04 3834 0.292E-02 0.824E-02 RMM: 6 -0.324798147495E+03 0.40018E-04 -0.28334E-05 2706 0.162E-02 0.448E-02 RMM: 7 -0.324798150339E+03 -0.28433E-05 -0.20443E-05 2537 0.141E-02 941 T= 6189. E= 0.67454244E+03 F= 0.63147084E+03 E0= 0.66013528E+03 EK= 0.50400E+02 SP= -.74E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325961861959E+03 -0.11637E+01 -0.13149E-01 7952 0.239E+01 0.186E-01 RMM: 2 -0.325981178909E+03 -0.19317E-01 -0.15156E-01 4933 0.893E-01 0.893E-01 RMM: 3 -0.325975224588E+03 0.59543E-02 -0.16634E-02 6023 0.231E-01 0.157E-01 RMM: 4 -0.325974807955E+03 0.41663E-03 -0.79838E-04 4773 0.666E-02 0.116E-01 RMM: 5 -0.325974725464E+03 0.82492E-04 -0.11841E-04 3776 0.288E-02 0.731E-02 RMM: 6 -0.325974700670E+03 0.24794E-04 -0.28117E-05 2659 0.160E-02 0.481E-02 RMM: 7 -0.325974698018E+03 0.26519E-05 -0.23393E-05 2563 0.145E-02 942 T= 6321. E= 0.67453889E+03 F= 0.63029429E+03 E0= 0.65895867E+03 EK= 0.51474E+02 SP= -.72E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327202726999E+03 -0.12280E+01 -0.11861E-01 7712 0.242E+01 0.165E-01 RMM: 2 -0.327217053581E+03 -0.14327E-01 -0.11682E-01 4835 0.798E-01 0.747E-01 RMM: 3 -0.327213089586E+03 0.39640E-02 -0.13587E-02 6025 0.212E-01 0.152E-01 RMM: 4 -0.327212745622E+03 0.34396E-03 -0.61285E-04 4676 0.586E-02 0.106E-01 RMM: 5 -0.327212674848E+03 0.70774E-04 -0.99946E-05 3655 0.285E-02 0.656E-02 RMM: 6 -0.327212653935E+03 0.20913E-04 -0.24831E-05 2569 0.149E-02 0.445E-02 RMM: 7 -0.327212651202E+03 0.27322E-05 -0.20302E-05 2522 0.138E-02 943 T= 6461. E= 0.67453402E+03 F= 0.62905634E+03 E0= 0.65772002E+03 EK= 0.52612E+02 SP= -.72E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328441992588E+03 -0.12293E+01 -0.11797E-01 7664 0.245E+01 0.160E-01 RMM: 2 -0.328455584510E+03 -0.13592E-01 -0.11697E-01 4800 0.809E-01 0.679E-01 RMM: 3 -0.328452313613E+03 0.32709E-02 -0.13424E-02 6063 0.208E-01 0.142E-01 RMM: 4 -0.328451997170E+03 0.31644E-03 -0.61477E-04 4645 0.612E-02 0.108E-01 RMM: 5 -0.328451918537E+03 0.78634E-04 -0.10034E-04 3656 0.294E-02 0.603E-02 RMM: 6 -0.328451902668E+03 0.15869E-04 -0.24648E-05 2551 0.146E-02 944 T= 6601. E= 0.67452832E+03 F= 0.62781709E+03 E0= 0.65647865E+03 EK= 0.53751E+02 SP= -.71E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329611310641E+03 -0.11594E+01 -0.11868E-01 7656 0.248E+01 0.164E-01 RMM: 2 -0.329626439736E+03 -0.15129E-01 -0.11984E-01 4820 0.820E-01 0.796E-01 RMM: 3 -0.329621987568E+03 0.44522E-02 -0.13918E-02 5893 0.215E-01 0.149E-01 RMM: 4 -0.329621667804E+03 0.31976E-03 -0.62952E-04 4739 0.585E-02 0.971E-02 RMM: 5 -0.329621596260E+03 0.71544E-04 -0.92681E-05 3701 0.280E-02 0.592E-02 RMM: 6 -0.329621584186E+03 0.12074E-04 -0.23491E-05 2531 0.139E-02 945 T= 6731. E= 0.67452356E+03 F= 0.62664741E+03 E0= 0.65530315E+03 EK= 0.54815E+02 SP= -.70E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330650641605E+03 -0.10290E+01 -0.11984E-01 7600 0.250E+01 0.270E-01 RMM: 2 -0.330673062574E+03 -0.22421E-01 -0.92943E-02 5024 0.745E-01 0.148E+00 RMM: 3 -0.330658022622E+03 0.15040E-01 -0.11941E-02 5407 0.251E-01 0.255E-01 RMM: 4 -0.330657544050E+03 0.47857E-03 -0.12515E-03 4696 0.734E-02 0.884E-02 RMM: 5 -0.330657509462E+03 0.34589E-04 -0.15046E-04 3936 0.311E-02 0.831E-02 RMM: 6 -0.330657469291E+03 0.40171E-04 -0.30737E-05 2681 0.169E-02 0.458E-02 RMM: 7 -0.330657472644E+03 -0.33536E-05 -0.24533E-05 2541 0.154E-02 946 T= 6844. E= 0.67452050E+03 F= 0.62561152E+03 E0= 0.65425653E+03 EK= 0.55735E+02 SP= -.69E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331510350412E+03 -0.85288E+00 -0.13260E-01 7656 0.251E+01 0.234E-01 RMM: 2 -0.331529455622E+03 -0.19105E-01 -0.12254E-01 4929 0.827E-01 0.112E+00 RMM: 3 -0.331520563478E+03 0.88921E-02 -0.14259E-02 5554 0.247E-01 0.223E-01 RMM: 4 -0.331520183463E+03 0.38002E-03 -0.11467E-03 4819 0.732E-02 0.111E-01 RMM: 5 -0.331520113683E+03 0.69780E-04 -0.15803E-04 3910 0.313E-02 0.848E-02 RMM: 6 -0.331520069291E+03 0.44392E-04 -0.31536E-05 2765 0.170E-02 0.394E-02 RMM: 7 -0.331520068415E+03 0.87648E-06 -0.20053E-05 2508 0.138E-02 947 T= 6934. E= 0.67451917E+03 F= 0.62474892E+03 E0= 0.65337644E+03 EK= 0.56469E+02 SP= -.67E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332190219129E+03 -0.67015E+00 -0.12686E-01 7696 0.251E+01 0.173E-01 RMM: 2 -0.332204767877E+03 -0.14549E-01 -0.10643E-01 4907 0.752E-01 0.870E-01 RMM: 3 -0.332199378322E+03 0.53896E-02 -0.11687E-02 5781 0.211E-01 0.160E-01 RMM: 4 -0.332199112368E+03 0.26595E-03 -0.62748E-04 4709 0.555E-02 0.951E-02 RMM: 5 -0.332199047118E+03 0.65250E-04 -0.87552E-05 3639 0.258E-02 0.641E-02 RMM: 6 -0.332199028487E+03 0.18631E-04 -0.24735E-05 2555 0.149E-02 948 T= 7000. E= 0.67451953E+03 F= 0.62406996E+03 E0= 0.65267321E+03 EK= 0.57001E+02 SP= -.66E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332696510860E+03 -0.49746E+00 -0.12723E-01 7448 0.251E+01 0.227E-01 RMM: 2 -0.332717679823E+03 -0.21169E-01 -0.11663E-01 4885 0.792E-01 0.126E+00 RMM: 3 -0.332706391060E+03 0.11289E-01 -0.14039E-02 5572 0.245E-01 0.202E-01 RMM: 4 -0.332706019401E+03 0.37166E-03 -0.99980E-04 4842 0.647E-02 0.807E-02 RMM: 5 -0.332705976781E+03 0.42620E-04 -0.10967E-04 4032 0.267E-02 0.727E-02 RMM: 6 -0.332705953644E+03 0.23136E-04 -0.23238E-05 2548 0.143E-02 0.560E-02 RMM: 7 -0.332705965950E+03 -0.12305E-04 -0.46029E-05 3112 0.188E-02 949 T= 7041. E= 0.67452004E+03 F= 0.62356302E+03 E0= 0.65213638E+03 EK= 0.57340E+02 SP= -.64E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333051761598E+03 -0.34581E+00 -0.12896E-01 7536 0.250E+01 0.258E-01 RMM: 2 -0.333074510755E+03 -0.22749E-01 -0.12297E-01 4800 0.827E-01 0.133E+00 RMM: 3 -0.333061971872E+03 0.12539E-01 -0.14974E-02 5515 0.258E-01 0.234E-01 RMM: 4 -0.333061576238E+03 0.39563E-03 -0.13705E-03 4794 0.816E-02 0.132E-01 RMM: 5 -0.333061548643E+03 0.27595E-04 -0.21106E-04 3886 0.367E-02 0.120E-01 RMM: 6 -0.333061452584E+03 0.96059E-04 -0.54995E-05 3273 0.219E-02 0.290E-02 RMM: 7 -0.333061453015E+03 -0.43113E-06 -0.15633E-05 2506 0.123E-02 950 T= 7062. E= 0.67452125E+03 F= 0.62320754E+03 E0= 0.65174769E+03 EK= 0.57505E+02 SP= -.63E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333274181224E+03 -0.21273E+00 -0.13110E-01 7896 0.250E+01 0.197E-01 RMM: 2 -0.333293256045E+03 -0.19075E-01 -0.13565E-01 4799 0.851E-01 0.101E+00 RMM: 3 -0.333286117726E+03 0.71383E-02 -0.16070E-02 5905 0.241E-01 0.159E-01 RMM: 4 -0.333285747930E+03 0.36980E-03 -0.79475E-04 4793 0.635E-02 0.101E-01 RMM: 5 -0.333285679836E+03 0.68094E-04 -0.10942E-04 3881 0.277E-02 0.705E-02 RMM: 6 -0.333285654604E+03 0.25232E-04 -0.26753E-05 2563 0.154E-02 0.480E-02 RMM: 7 -0.333285652315E+03 0.22892E-05 -0.29545E-05 2630 0.157E-02 951 T= 7063. E= 0.67452223E+03 F= 0.62298334E+03 E0= 0.65148820E+03 EK= 0.57515E+02 SP= -.61E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333378126034E+03 -0.92471E-01 -0.13905E-01 8016 0.249E+01 0.164E-01 RMM: 2 -0.333394904749E+03 -0.16779E-01 -0.13815E-01 4761 0.859E-01 0.777E-01 RMM: 3 -0.333390447822E+03 0.44569E-02 -0.15723E-02 6090 0.230E-01 0.161E-01 RMM: 4 -0.333390032220E+03 0.41560E-03 -0.68467E-04 4694 0.631E-02 0.850E-02 RMM: 5 -0.333389992867E+03 0.39353E-04 -0.91830E-05 3579 0.273E-02 0.617E-02 RMM: 6 -0.333389974900E+03 0.17967E-04 -0.23809E-05 2555 0.149E-02 952 T= 7046. E= 0.67452198E+03 F= 0.62287901E+03 E0= 0.65135072E+03 EK= 0.57380E+02 SP= -.58E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333360074077E+03 0.29919E-01 -0.14254E-01 7832 0.248E+01 0.179E-01 RMM: 2 -0.333380547345E+03 -0.20473E-01 -0.16322E-01 4793 0.917E-01 0.883E-01 RMM: 3 -0.333374674620E+03 0.58727E-02 -0.18474E-02 6016 0.248E-01 0.147E-01 RMM: 4 -0.333374251451E+03 0.42317E-03 -0.78525E-04 4866 0.641E-02 0.103E-01 RMM: 5 -0.333374179373E+03 0.72078E-04 -0.10183E-04 3913 0.275E-02 0.654E-02 RMM: 6 -0.333374164777E+03 0.14596E-04 -0.23250E-05 2539 0.143E-02 953 T= 7012. E= 0.67452227E+03 F= 0.62289482E+03 E0= 0.65133638E+03 EK= 0.57104E+02 SP= -.56E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333223477200E+03 0.15070E+00 -0.14097E-01 8016 0.247E+01 0.284E-01 RMM: 2 -0.333255015743E+03 -0.31539E-01 -0.15553E-01 4830 0.907E-01 0.162E+00 RMM: 3 -0.333236647665E+03 0.18368E-01 -0.18703E-02 5535 0.295E-01 0.287E-01 RMM: 4 -0.333235953527E+03 0.69414E-03 -0.16252E-03 4896 0.832E-02 0.836E-02 RMM: 5 -0.333235940494E+03 0.13033E-04 -0.18996E-04 4147 0.323E-02 954 T= 6961. E= 0.67452350E+03 F= 0.62303305E+03 E0= 0.65144993E+03 EK= 0.56687E+02 SP= -.53E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332963717253E+03 0.27224E+00 -0.14074E-01 8120 0.246E+01 0.203E-01 RMM: 2 -0.332985595947E+03 -0.21879E-01 -0.16063E-01 4990 0.875E-01 0.101E+00 RMM: 3 -0.332977668280E+03 0.79277E-02 -0.16457E-02 5685 0.255E-01 0.226E-01 RMM: 4 -0.332977185577E+03 0.48270E-03 -0.10633E-03 4926 0.682E-02 0.994E-02 RMM: 5 -0.332977135781E+03 0.49797E-04 -0.12429E-04 4096 0.283E-02 0.830E-02 RMM: 6 -0.332977111275E+03 0.24506E-04 -0.25504E-05 2561 0.151E-02 0.669E-02 RMM: 7 -0.332977141842E+03 -0.30567E-04 -0.77279E-05 3724 0.217E-02 0.107E-01 RMM: 8 -0.332977069590E+03 0.72252E-04 -0.12294E-04 3891 0.270E-02 0.291E-02 RMM: 9 -0.332977071973E+03 -0.23833E-05 -0.17732E-05 2549 0.123E-02 955 T= 6893. E= 0.67452552E+03 F= 0.62329192E+03 E0= 0.65168961E+03 EK= 0.56134E+02 SP= -.51E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332597625747E+03 0.37944E+00 -0.14064E-01 8040 0.244E+01 0.252E-01 RMM: 2 -0.332618835690E+03 -0.21210E-01 -0.17162E-01 4784 0.934E-01 0.940E-01 RMM: 3 -0.332612368630E+03 0.64671E-02 -0.19046E-02 6045 0.252E-01 0.185E-01 RMM: 4 -0.332612186695E+03 0.18194E-03 -0.12628E-03 4901 0.858E-02 0.247E-01 RMM: 5 -0.332611832428E+03 0.35427E-03 -0.28383E-04 3920 0.438E-02 0.105E-01 RMM: 6 -0.332611764849E+03 0.67579E-04 -0.69793E-05 3425 0.247E-02 0.319E-02 RMM: 7 -0.332611787929E+03 -0.23080E-04 -0.23352E-05 2587 0.145E-02 0.653E-02 RMM: 8 -0.332611764677E+03 0.23252E-04 -0.18851E-05 2515 0.147E-02 0.194E-02 RMM: 9 -0.332611764325E+03 0.35232E-06 -0.59341E-06 2444 0.742E-03 956 T= 6811. E= 0.67452779E+03 F= 0.62365722E+03 E0= 0.65204220E+03 EK= 0.55462E+02 SP= -.48E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332153376895E+03 0.45839E+00 -0.13888E-01 8488 0.242E+01 0.172E-01 RMM: 2 -0.332172854512E+03 -0.19478E-01 -0.16889E-01 4872 0.919E-01 0.757E-01 RMM: 3 -0.332168452156E+03 0.44024E-02 -0.18535E-02 6283 0.239E-01 0.162E-01 RMM: 4 -0.332167926948E+03 0.52521E-03 -0.72284E-04 4740 0.640E-02 0.897E-02 RMM: 5 -0.332167869615E+03 0.57333E-04 -0.10052E-04 3837 0.270E-02 0.672E-02 RMM: 6 -0.332167851862E+03 0.17754E-04 -0.25814E-05 2565 0.154E-02 957 T= 6718. E= 0.67453113E+03 F= 0.62410114E+03 E0= 0.65248011E+03 EK= 0.54704E+02 SP= -.45E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331669451949E+03 0.49842E+00 -0.14538E-01 8120 0.239E+01 0.231E-01 RMM: 2 -0.331698594601E+03 -0.29143E-01 -0.19560E-01 4860 0.983E-01 0.125E+00 RMM: 3 -0.331686618169E+03 0.11976E-01 -0.21084E-02 5719 0.283E-01 0.207E-01 RMM: 4 -0.331686104297E+03 0.51387E-03 -0.13039E-03 5291 0.725E-02 0.845E-02 RMM: 5 -0.331686058606E+03 0.45691E-04 -0.12966E-04 4197 0.285E-02 0.765E-02 RMM: 6 -0.331686038527E+03 0.20079E-04 -0.25476E-05 2563 0.151E-02 0.638E-02 RMM: 7 -0.331686073147E+03 -0.34620E-04 -0.86214E-05 3829 0.241E-02 0.106E-01 RMM: 8 -0.331686000700E+03 0.72446E-04 -0.80928E-05 3830 0.211E-02 0.330E-02 RMM: 9 -0.331685996953E+03 0.37479E-05 -0.13709E-05 2513 0.107E-02 958 T= 6619. E= 0.67453465E+03 F= 0.62458299E+03 E0= 0.65296307E+03 EK= 0.53905E+02 SP= -.42E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331198975121E+03 0.48703E+00 -0.13611E-01 8224 0.237E+01 0.287E-01 RMM: 2 -0.331228031306E+03 -0.29056E-01 -0.17052E-01 4926 0.918E-01 0.144E+00 RMM: 3 -0.331212802303E+03 0.15229E-01 -0.17771E-02 5659 0.276E-01 0.225E-01 RMM: 4 -0.331212483410E+03 0.31889E-03 -0.16884E-03 4963 0.910E-02 0.188E-01 RMM: 5 -0.331212386081E+03 0.97329E-04 -0.27461E-04 3908 0.398E-02 0.150E-01 RMM: 6 -0.331212235389E+03 0.15069E-03 -0.85233E-05 3558 0.264E-02 0.319E-02 RMM: 7 -0.331212245446E+03 -0.10057E-04 -0.24512E-05 2595 0.149E-02 959 T= 6522. E= 0.67453800E+03 F= 0.62505674E+03 E0= 0.65344492E+03 EK= 0.53113E+02 SP= -.38E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330773029772E+03 0.43921E+00 -0.13589E-01 8456 0.234E+01 0.184E-01 RMM: 2 -0.330794851014E+03 -0.21821E-01 -0.16620E-01 5204 0.881E-01 0.958E-01 RMM: 3 -0.330787211887E+03 0.76391E-02 -0.15230E-02 5884 0.232E-01 0.174E-01 RMM: 4 -0.330786803290E+03 0.40860E-03 -0.82140E-04 4961 0.620E-02 0.753E-02 RMM: 5 -0.330786773751E+03 0.29539E-04 -0.96879E-05 3964 0.242E-02 0.686E-02 RMM: 6 -0.330786752803E+03 0.20948E-04 -0.19579E-05 2546 0.135E-02 0.447E-02 RMM: 7 -0.330786757532E+03 -0.47289E-05 -0.33400E-05 2709 0.167E-02 960 T= 6431. E= 0.67454025E+03 F= 0.62548223E+03 E0= 0.65388513E+03 EK= 0.52372E+02 SP= -.35E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330426281402E+03 0.36047E+00 -0.13003E-01 8632 0.231E+01 0.165E-01 RMM: 2 -0.330443068360E+03 -0.16787E-01 -0.14061E-01 5162 0.812E-01 0.757E-01 RMM: 3 -0.330438157051E+03 0.49113E-02 -0.12769E-02 6115 0.210E-01 0.142E-01 RMM: 4 -0.330437877101E+03 0.27995E-03 -0.63943E-04 4698 0.578E-02 0.107E-01 RMM: 5 -0.330437802717E+03 0.74384E-04 -0.88934E-05 3543 0.256E-02 0.615E-02 RMM: 6 -0.330437783553E+03 0.19164E-04 -0.22765E-05 2555 0.145E-02 961 T= 6350. E= 0.67454132E+03 F= 0.62583121E+03 E0= 0.65425497E+03 EK= 0.51713E+02 SP= -.32E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330166032400E+03 0.27177E+00 -0.12320E-01 8552 0.230E+01 0.186E-01 RMM: 2 -0.330185218380E+03 -0.19186E-01 -0.14198E-01 5138 0.817E-01 0.956E-01 RMM: 3 -0.330177967647E+03 0.72507E-02 -0.13578E-02 5901 0.226E-01 0.146E-01 RMM: 4 -0.330177664916E+03 0.30273E-03 -0.74758E-04 5115 0.561E-02 0.863E-02 RMM: 5 -0.330177612456E+03 0.52460E-04 -0.77732E-05 3635 0.241E-02 0.635E-02 RMM: 6 -0.330177600726E+03 0.11729E-04 -0.20962E-05 2538 0.137E-02 962 T= 6281. E= 0.67454105E+03 F= 0.62609139E+03 E0= 0.65454041E+03 EK= 0.51151E+02 SP= -.29E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329992446609E+03 0.18517E+00 -0.11716E-01 8496 0.228E+01 0.279E-01 RMM: 2 -0.330021415535E+03 -0.28969E-01 -0.13369E-01 4971 0.821E-01 0.159E+00 RMM: 3 -0.330003376112E+03 0.18039E-01 -0.15600E-02 5469 0.278E-01 0.288E-01 RMM: 4 -0.330002732020E+03 0.64409E-03 -0.15582E-03 4892 0.803E-02 0.898E-02 RMM: 5 -0.330002708109E+03 0.23911E-04 -0.17348E-04 4027 0.309E-02 0.841E-02 RMM: 6 -0.330002666377E+03 0.41732E-04 -0.27021E-05 2597 0.152E-02 0.504E-02 RMM: 7 -0.330002676251E+03 -0.98746E-05 -0.26695E-05 2676 0.163E-02 963 T= 6224. E= 0.67454029E+03 F= 0.62626631E+03 E0= 0.65474370E+03 EK= 0.50685E+02 SP= -.26E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329895035512E+03 0.10763E+00 -0.11461E-01 8376 0.227E+01 0.301E-01 RMM: 2 -0.329923688867E+03 -0.28653E-01 -0.13556E-01 4945 0.831E-01 0.157E+00 RMM: 3 -0.329905783773E+03 0.17905E-01 -0.16520E-02 5450 0.287E-01 0.291E-01 RMM: 4 -0.329905195670E+03 0.58810E-03 -0.17777E-03 4981 0.887E-02 0.119E-01 RMM: 5 -0.329905232338E+03 -0.36668E-04 -0.25208E-04 3942 0.364E-02 0.146E-01 RMM: 6 -0.329905089933E+03 0.14241E-03 -0.73820E-05 3486 0.248E-02 0.361E-02 RMM: 7 -0.329905088665E+03 0.12675E-05 -0.18080E-05 2534 0.128E-02 964 T= 6178. E= 0.67454038E+03 F= 0.62636390E+03 E0= 0.65487110E+03 EK= 0.50309E+02 SP= -.23E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329870555453E+03 0.34534E-01 -0.11439E-01 8200 0.227E+01 0.213E-01 RMM: 2 -0.329891578052E+03 -0.21023E-01 -0.12937E-01 5050 0.781E-01 0.117E+00 RMM: 3 -0.329881276062E+03 0.10302E-01 -0.13188E-02 5620 0.236E-01 0.207E-01 RMM: 4 -0.329880890144E+03 0.38592E-03 -0.98295E-04 4877 0.651E-02 0.943E-02 RMM: 5 -0.329880831174E+03 0.58970E-04 -0.11599E-04 3803 0.276E-02 0.690E-02 RMM: 6 -0.329880804431E+03 0.26743E-04 -0.24801E-05 2600 0.149E-02 0.475E-02 RMM: 7 -0.329880801251E+03 0.31801E-05 -0.24490E-05 2579 0.150E-02 965 T= 6142. E= 0.67454012E+03 F= 0.62638819E+03 E0= 0.65492317E+03 EK= 0.50020E+02 SP= -.20E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329918933504E+03 -0.38129E-01 -0.11443E-01 8184 0.227E+01 0.166E-01 RMM: 2 -0.329934534340E+03 -0.15601E-01 -0.13190E-01 4901 0.812E-01 0.715E-01 RMM: 3 -0.329930425667E+03 0.41087E-02 -0.14501E-02 6032 0.222E-01 0.149E-01 RMM: 4 -0.329930072352E+03 0.35331E-03 -0.66928E-04 4854 0.575E-02 0.914E-02 RMM: 5 -0.329930023186E+03 0.49166E-04 -0.86018E-05 3613 0.264E-02 0.610E-02 RMM: 6 -0.329930004915E+03 0.18271E-04 -0.24138E-05 2577 0.149E-02 966 T= 6118. E= 0.67454050E+03 F= 0.62633898E+03 E0= 0.65489902E+03 EK= 0.49820E+02 SP= -.18E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330046957697E+03 -0.11693E+00 -0.12628E-01 7752 0.227E+01 0.197E-01 RMM: 2 -0.330069521898E+03 -0.22564E-01 -0.16490E-01 4823 0.922E-01 0.104E+00 RMM: 3 -0.330061522233E+03 0.79997E-02 -0.18467E-02 5881 0.255E-01 0.210E-01 RMM: 4 -0.330060965757E+03 0.55648E-03 -0.10006E-03 4958 0.692E-02 0.850E-02 RMM: 5 -0.330060919777E+03 0.45981E-04 -0.11892E-04 4200 0.267E-02 0.674E-02 RMM: 6 -0.330060902723E+03 0.17054E-04 -0.21647E-05 2543 0.139E-02 967 T= 6105. E= 0.67454090E+03 F= 0.62620809E+03 E0= 0.65478719E+03 EK= 0.49715E+02 SP= -.15E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330272203381E+03 -0.21128E+00 -0.11317E-01 7536 0.228E+01 0.303E-01 RMM: 2 -0.330304565211E+03 -0.32362E-01 -0.13010E-01 4775 0.855E-01 0.174E+00 RMM: 3 -0.330283047705E+03 0.21518E-01 -0.17572E-02 5413 0.299E-01 0.324E-01 RMM: 4 -0.330282252460E+03 0.79525E-03 -0.18760E-03 5042 0.882E-02 0.805E-02 RMM: 5 -0.330282231254E+03 0.21206E-04 -0.22981E-04 4784 0.288E-02 0.816E-02 RMM: 6 -0.330282195137E+03 0.36117E-04 -0.24663E-05 2604 0.151E-02 0.561E-02 RMM: 7 -0.330282213135E+03 -0.17998E-04 -0.31718E-05 2793 0.168E-02 968 T= 6105. E= 0.67454061E+03 F= 0.62598678E+03 E0= 0.65457799E+03 EK= 0.49715E+02 SP= -.13E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330586714844E+03 -0.30452E+00 -0.11477E-01 7696 0.230E+01 0.264E-01 RMM: 2 -0.330609839819E+03 -0.23125E-01 -0.11173E-01 4828 0.788E-01 0.139E+00 RMM: 3 -0.330595915662E+03 0.13924E-01 -0.14053E-02 5451 0.260E-01 0.240E-01 RMM: 4 -0.330595561190E+03 0.35447E-03 -0.14917E-03 4880 0.829E-02 0.133E-01 RMM: 5 -0.330595546061E+03 0.15130E-04 -0.22464E-04 3910 0.350E-02 0.131E-01 RMM: 6 -0.330595431209E+03 0.11485E-03 -0.65666E-05 3409 0.237E-02 0.319E-02 RMM: 7 -0.330595433788E+03 -0.25796E-05 -0.19660E-05 2525 0.136E-02 969 T= 6118. E= 0.67453952E+03 F= 0.62567356E+03 E0= 0.65426869E+03 EK= 0.49819E+02 SP= -.10E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330978334762E+03 -0.38290E+00 -0.11442E-01 7752 0.231E+01 0.225E-01 RMM: 2 -0.330997540722E+03 -0.19206E-01 -0.10607E-01 4812 0.778E-01 0.122E+00 RMM: 3 -0.330987341924E+03 0.10199E-01 -0.13161E-02 5527 0.243E-01 0.208E-01 RMM: 4 -0.330986994886E+03 0.34704E-03 -0.10322E-03 4837 0.656E-02 0.828E-02 RMM: 5 -0.330986952505E+03 0.42381E-04 -0.12917E-04 3895 0.296E-02 0.725E-02 RMM: 6 -0.330986917503E+03 0.35002E-04 -0.28501E-05 2651 0.156E-02 0.427E-02 RMM: 7 -0.330986916565E+03 0.93739E-06 -0.19645E-05 2510 0.139E-02 970 T= 6142. E= 0.67453725E+03 F= 0.62528207E+03 E0= 0.65387369E+03 EK= 0.50015E+02 SP= -.84E+00 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331421072258E+03 -0.43415E+00 -0.11435E-01 7904 0.234E+01 0.202E-01 RMM: 2 -0.331435094013E+03 -0.14022E-01 -0.82066E-02 4960 0.685E-01 0.103E+00 RMM: 3 -0.331427846945E+03 0.72471E-02 -0.97074E-03 5626 0.206E-01 0.181E-01 RMM: 4 -0.331427574723E+03 0.27222E-03 -0.74534E-04 4699 0.584E-02 0.821E-02 RMM: 5 -0.331427540516E+03 0.34207E-04 -0.10272E-04 3768 0.262E-02 0.682E-02 RMM: 6 -0.331427514400E+03 0.26116E-04 -0.24543E-05 2581 0.150E-02 0.363E-02 RMM: 7 -0.331427515813E+03 -0.14129E-05 -0.15267E-05 2492 0.125E-02 971 T= 6173. E= 0.67453405E+03 F= 0.62484147E+03 E0= 0.65342119E+03 EK= 0.50270E+02 SP= -.65E+00 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331871410066E+03 -0.44390E+00 -0.12022E-01 7808 0.236E+01 0.194E-01 RMM: 2 -0.331886030485E+03 -0.14620E-01 -0.10859E-01 4891 0.777E-01 0.872E-01 RMM: 3 -0.331880745222E+03 0.52853E-02 -0.13016E-02 5847 0.216E-01 0.160E-01 RMM: 4 -0.331880446322E+03 0.29890E-03 -0.75838E-04 4778 0.612E-02 0.117E-01 RMM: 5 -0.331880356572E+03 0.89749E-04 -0.11415E-04 3796 0.278E-02 0.668E-02 RMM: 6 -0.331880331376E+03 0.25196E-04 -0.26347E-05 2607 0.154E-02 0.411E-02 RMM: 7 -0.331880327212E+03 0.41637E-05 -0.20687E-05 2515 0.140E-02 972 T= 6207. E= 0.67453128E+03 F= 0.62438866E+03 E0= 0.65295075E+03 EK= 0.50549E+02 SP= -.47E+00 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332305738350E+03 -0.42541E+00 -0.11992E-01 8088 0.238E+01 0.228E-01 RMM: 2 -0.332321094250E+03 -0.15356E-01 -0.92297E-02 5079 0.721E-01 0.107E+00 RMM: 3 -0.332313227334E+03 0.78669E-02 -0.11055E-02 5674 0.219E-01 0.214E-01 RMM: 4 -0.332312840195E+03 0.38714E-03 -0.88749E-04 4736 0.636E-02 0.954E-02 RMM: 5 -0.332312791830E+03 0.48365E-04 -0.12404E-04 3890 0.273E-02 0.785E-02 RMM: 6 -0.332312760503E+03 0.31327E-04 -0.27244E-05 2674 0.160E-02 0.475E-02 RMM: 7 -0.332312762222E+03 -0.17191E-05 -0.19197E-05 2523 0.134E-02 973 T= 6240. E= 0.67452970E+03 F= 0.62395623E+03 E0= 0.65249405E+03 EK= 0.50818E+02 SP= -.30E+00 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332695626963E+03 -0.38287E+00 -0.12364E-01 8064 0.239E+01 0.229E-01 RMM: 2 -0.332714287059E+03 -0.18660E-01 -0.12189E-01 4996 0.802E-01 0.109E+00 RMM: 3 -0.332705926041E+03 0.83610E-02 -0.14420E-02 5752 0.235E-01 0.223E-01 RMM: 4 -0.332705457398E+03 0.46864E-03 -0.10313E-03 4796 0.694E-02 0.101E-01 RMM: 5 -0.332705396286E+03 0.61111E-04 -0.13907E-04 4086 0.275E-02 0.724E-02 RMM: 6 -0.332705369457E+03 0.26829E-04 -0.24537E-05 2590 0.151E-02 0.438E-02 RMM: 7 -0.332705370560E+03 -0.11025E-05 -0.18045E-05 2533 0.129E-02 974 T= 6270. E= 0.67452892E+03 F= 0.62356362E+03 E0= 0.65207252E+03 EK= 0.51058E+02 SP= -.14E+00 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333042208893E+03 -0.33684E+00 -0.12245E-01 8392 0.240E+01 0.216E-01 RMM: 2 -0.333057477944E+03 -0.15269E-01 -0.10044E-01 5131 0.723E-01 0.989E-01 RMM: 3 -0.333050456089E+03 0.70219E-02 -0.11204E-02 5703 0.215E-01 0.198E-01 RMM: 4 -0.333050116515E+03 0.33957E-03 -0.85557E-04 4733 0.630E-02 0.106E-01 RMM: 5 -0.333050053412E+03 0.63102E-04 -0.12563E-04 3841 0.276E-02 0.799E-02 RMM: 6 -0.333050017058E+03 0.36355E-04 -0.27663E-05 2739 0.162E-02 0.444E-02 RMM: 7 -0.333050014779E+03 0.22789E-05 -0.18389E-05 2520 0.130E-02 975 T= 6294. E= 0.67452869E+03 F= 0.62321897E+03 E0= 0.65169313E+03 EK= 0.51257E+02 SP= 0.98E-02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333336483613E+03 -0.28647E+00 -0.12473E-01 8720 0.239E+01 0.198E-01 RMM: 2 -0.333351807137E+03 -0.15324E-01 -0.10262E-01 5086 0.722E-01 0.972E-01 RMM: 3 -0.333344974657E+03 0.68325E-02 -0.10731E-02 5801 0.207E-01 0.195E-01 RMM: 4 -0.333344608498E+03 0.36616E-03 -0.74735E-04 4729 0.598E-02 0.855E-02 RMM: 5 -0.333344563750E+03 0.44749E-04 -0.95911E-05 3825 0.245E-02 0.660E-02 RMM: 6 -0.333344544986E+03 0.18764E-04 -0.20296E-05 2552 0.137E-02 976 T= 6314. E= 0.67452840E+03 F= 0.62292444E+03 E0= 0.65135880E+03 EK= 0.51414E+02 SP= 0.15E+00 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333574836005E+03 -0.23027E+00 -0.12701E-01 8568 0.239E+01 0.190E-01 RMM: 2 -0.333593551729E+03 -0.18716E-01 -0.11136E-01 5143 0.720E-01 0.113E+00 RMM: 3 -0.333583995780E+03 0.95559E-02 -0.10548E-02 5557 0.215E-01 0.179E-01 RMM: 4 -0.333583733889E+03 0.26189E-03 -0.83282E-04 4976 0.578E-02 0.880E-02 RMM: 5 -0.333583681803E+03 0.52086E-04 -0.78015E-05 3660 0.233E-02 0.677E-02 RMM: 6 -0.333583670954E+03 0.10849E-04 -0.18353E-05 2521 0.126E-02 977 T= 6327. E= 0.67452748E+03 F= 0.62268532E+03 E0= 0.65107442E+03 EK= 0.51521E+02 SP= 0.29E+00 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333744065590E+03 -0.16038E+00 -0.13066E-01 8640 0.238E+01 0.333E-01 RMM: 2 -0.333780231293E+03 -0.36166E-01 -0.11949E-01 5021 0.789E-01 0.196E+00 RMM: 3 -0.333753257558E+03 0.26974E-01 -0.16108E-02 5404 0.300E-01 0.321E-01 RMM: 4 -0.333752457500E+03 0.80006E-03 -0.18558E-03 4881 0.878E-02 0.792E-02 RMM: 5 -0.333752439572E+03 0.17928E-04 -0.21108E-04 4285 0.309E-02 0.843E-02 RMM: 6 -0.333752400333E+03 0.39239E-04 -0.28439E-05 2669 0.165E-02 0.488E-02 RMM: 7 -0.333752415815E+03 -0.15481E-04 -0.25215E-05 2579 0.154E-02 978 T= 6332. E= 0.67452535E+03 F= 0.62251657E+03 E0= 0.65085645E+03 EK= 0.51563E+02 SP= 0.41E+00 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333816744064E+03 -0.64344E-01 -0.12911E-01 8832 0.237E+01 0.289E-01 RMM: 2 -0.333843565321E+03 -0.26821E-01 -0.11712E-01 5135 0.725E-01 0.155E+00 RMM: 3 -0.333825953274E+03 0.17612E-01 -0.13458E-02 5382 0.270E-01 0.299E-01 RMM: 4 -0.333825398733E+03 0.55454E-03 -0.17032E-03 4812 0.863E-02 0.130E-01 RMM: 5 -0.333825376614E+03 0.22119E-04 -0.24542E-04 3907 0.393E-02 0.125E-01 RMM: 6 -0.333825273253E+03 0.10336E-03 -0.72244E-05 3481 0.251E-02 0.370E-02 RMM: 7 -0.333825274210E+03 -0.95695E-06 -0.18273E-05 2530 0.130E-02 979 T= 6326. E= 0.67452333E+03 F= 0.62244372E+03 E0= 0.65073127E+03 EK= 0.51515E+02 SP= 0.54E+00 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333765722281E+03 0.59551E-01 -0.13370E-01 8848 0.236E+01 0.272E-01 RMM: 2 -0.333790938815E+03 -0.25217E-01 -0.13221E-01 5021 0.800E-01 0.143E+00 RMM: 3 -0.333776493514E+03 0.14445E-01 -0.14195E-02 5503 0.261E-01 0.286E-01 RMM: 4 -0.333775833514E+03 0.66000E-03 -0.13708E-03 4817 0.760E-02 0.823E-02 RMM: 5 -0.333775803908E+03 0.29605E-04 -0.17399E-04 3973 0.315E-02 0.777E-02 RMM: 6 -0.333775764611E+03 0.39297E-04 -0.30438E-05 2707 0.165E-02 0.408E-02 RMM: 7 -0.333775769778E+03 -0.51672E-05 -0.23803E-05 2547 0.149E-02 980 T= 6306. E= 0.67452239E+03 F= 0.62249322E+03 E0= 0.65072686E+03 EK= 0.51353E+02 SP= 0.65E+00 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333578161239E+03 0.19760E+00 -0.12945E-01 8944 0.235E+01 0.191E-01 RMM: 2 -0.333595757881E+03 -0.17597E-01 -0.12034E-01 5114 0.740E-01 0.980E-01 RMM: 3 -0.333588245302E+03 0.75126E-02 -0.11377E-02 5570 0.219E-01 0.178E-01 RMM: 4 -0.333587961435E+03 0.28387E-03 -0.83645E-04 4971 0.587E-02 0.795E-02 RMM: 5 -0.333587924094E+03 0.37341E-04 -0.94703E-05 3704 0.258E-02 0.625E-02 RMM: 6 -0.333587902597E+03 0.21497E-04 -0.22906E-05 2564 0.144E-02 0.368E-02 RMM: 7 -0.333587906302E+03 -0.37046E-05 -0.16825E-05 2514 0.126E-02 981 T= 6270. E= 0.67452202E+03 F= 0.62268108E+03 E0= 0.65086252E+03 EK= 0.51061E+02 SP= 0.76E+00 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333249027873E+03 0.33887E+00 -0.13490E-01 8360 0.234E+01 0.196E-01 RMM: 2 -0.333267931539E+03 -0.18904E-01 -0.14696E-01 4940 0.838E-01 0.905E-01 RMM: 3 -0.333261666095E+03 0.62654E-02 -0.15206E-02 5920 0.233E-01 0.186E-01 RMM: 4 -0.333261219811E+03 0.44628E-03 -0.82205E-04 4861 0.628E-02 0.885E-02 RMM: 5 -0.333261183311E+03 0.36500E-04 -0.11812E-04 3800 0.282E-02 0.732E-02 RMM: 6 -0.333261150294E+03 0.33017E-04 -0.27784E-05 2693 0.160E-02 0.369E-02 RMM: 7 -0.333261150073E+03 0.22131E-06 -0.22266E-05 2548 0.144E-02 982 T= 6219. E= 0.67452317E+03 F= 0.62300784E+03 E0= 0.65114047E+03 EK= 0.50640E+02 SP= 0.86E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332806099189E+03 0.45505E+00 -0.13030E-01 8520 0.233E+01 0.172E-01 RMM: 2 -0.332821918019E+03 -0.15819E-01 -0.12585E-01 5043 0.773E-01 0.799E-01 RMM: 3 -0.332816800552E+03 0.51175E-02 -0.12450E-02 5956 0.211E-01 0.154E-01 RMM: 4 -0.332816489443E+03 0.31111E-03 -0.63114E-04 4733 0.556E-02 0.890E-02 RMM: 5 -0.332816438054E+03 0.51389E-04 -0.84350E-05 3610 0.240E-02 0.615E-02 RMM: 6 -0.332816421960E+03 0.16094E-04 -0.22073E-05 2557 0.144E-02 983 T= 6154. E= 0.67452596E+03 F= 0.62345257E+03 E0= 0.65154202E+03 EK= 0.50114E+02 SP= 0.95E+00 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332286628833E+03 0.52981E+00 -0.12346E-01 8448 0.231E+01 0.188E-01 RMM: 2 -0.332304557262E+03 -0.17928E-01 -0.12238E-01 5075 0.755E-01 0.993E-01 RMM: 3 -0.332297015599E+03 0.75417E-02 -0.12478E-02 5689 0.220E-01 0.186E-01 RMM: 4 -0.332296666511E+03 0.34909E-03 -0.79479E-04 4911 0.578E-02 0.792E-02 RMM: 5 -0.332296622453E+03 0.44058E-04 -0.81535E-05 3767 0.224E-02 0.660E-02 RMM: 6 -0.332296609409E+03 0.13044E-04 -0.18399E-05 2535 0.129E-02 984 T= 6082. E= 0.67453002E+03 F= 0.62397238E+03 E0= 0.65202650E+03 EK= 0.49528E+02 SP= 0.10E+01 SK= 0.90E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331753441042E+03 0.54318E+00 -0.11497E-01 8456 0.230E+01 0.312E-01 RMM: 2 -0.331786997677E+03 -0.33557E-01 -0.11669E-01 5029 0.780E-01 0.185E+00 RMM: 3 -0.331762611455E+03 0.24386E-01 -0.15803E-02 5409 0.290E-01 0.309E-01 RMM: 4 -0.331761873562E+03 0.73789E-03 -0.17298E-03 4821 0.842E-02 0.782E-02 RMM: 5 -0.331761839771E+03 0.33792E-04 -0.19317E-04 4705 0.286E-02 0.820E-02 RMM: 6 -0.331761805491E+03 0.34279E-04 -0.22755E-05 2587 0.148E-02 0.527E-02 RMM: 7 -0.331761818322E+03 -0.12831E-04 -0.28263E-05 2673 0.160E-02 985 T= 6010. E= 0.67453442E+03 F= 0.62450717E+03 E0= 0.65253522E+03 EK= 0.48943E+02 SP= 0.11E+01 SK= 0.49E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331272598692E+03 0.48921E+00 -0.10766E-01 7952 0.229E+01 0.287E-01 RMM: 2 -0.331297910727E+03 -0.25312E-01 -0.10883E-01 5027 0.742E-01 0.154E+00 RMM: 3 -0.331281294476E+03 0.16616E-01 -0.13524E-02 5416 0.263E-01 0.296E-01 RMM: 4 -0.331280732185E+03 0.56229E-03 -0.16805E-03 4801 0.873E-02 0.127E-01 RMM: 5 -0.331280717474E+03 0.14711E-04 -0.23998E-04 3925 0.372E-02 0.125E-01 RMM: 6 -0.331280611830E+03 0.10564E-03 -0.63796E-05 3384 0.232E-02 0.339E-02 RMM: 7 -0.331280611941E+03 -0.11123E-06 -0.16435E-05 2520 0.124E-02 986 T= 5947. E= 0.67453890E+03 F= 0.62498838E+03 E0= 0.65300161E+03 EK= 0.48430E+02 SP= 0.11E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330909009232E+03 0.37160E+00 -0.11102E-01 7832 0.228E+01 0.231E-01 RMM: 2 -0.330929706549E+03 -0.20697E-01 -0.11144E-01 4906 0.768E-01 0.126E+00 RMM: 3 -0.330918385891E+03 0.11321E-01 -0.13436E-02 5519 0.246E-01 0.210E-01 RMM: 4 -0.330918036561E+03 0.34933E-03 -0.11120E-03 4969 0.654E-02 0.855E-02 RMM: 5 -0.330917985656E+03 0.50905E-04 -0.12063E-04 3820 0.280E-02 0.770E-02 RMM: 6 -0.330917952226E+03 0.33430E-04 -0.25864E-05 2604 0.153E-02 0.472E-02 RMM: 7 -0.330917951749E+03 0.47751E-06 -0.22483E-05 2589 0.141E-02 987 T= 5901. E= 0.67454244E+03 F= 0.62535104E+03 E0= 0.65336262E+03 EK= 0.48053E+02 SP= 0.11E+01 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330713921337E+03 0.20403E+00 -0.10870E-01 7744 0.228E+01 0.182E-01 RMM: 2 -0.330728230291E+03 -0.14309E-01 -0.98864E-02 4820 0.736E-01 0.886E-01 RMM: 3 -0.330722542445E+03 0.56878E-02 -0.11767E-02 5683 0.214E-01 0.164E-01 RMM: 4 -0.330722267872E+03 0.27457E-03 -0.72791E-04 4846 0.579E-02 0.812E-02 RMM: 5 -0.330722235016E+03 0.32855E-04 -0.96005E-05 3741 0.259E-02 0.596E-02 RMM: 6 -0.330722215135E+03 0.19881E-04 -0.22579E-05 2565 0.143E-02 988 T= 5877. E= 0.67454389E+03 F= 0.62554677E+03 E0= 0.65356995E+03 EK= 0.47863E+02 SP= 0.11E+01 SK= 0.51E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330701506773E+03 0.20728E-01 -0.11748E-01 7568 0.229E+01 0.177E-01 RMM: 2 -0.330718366267E+03 -0.16859E-01 -0.12449E-01 4734 0.838E-01 0.883E-01 RMM: 3 -0.330712653183E+03 0.57131E-02 -0.15018E-02 5817 0.229E-01 0.184E-01 RMM: 4 -0.330712231508E+03 0.42167E-03 -0.78662E-04 4804 0.631E-02 0.761E-02 RMM: 5 -0.330712195745E+03 0.35764E-04 -0.10478E-04 3977 0.260E-02 0.635E-02 RMM: 6 -0.330712175399E+03 0.20346E-04 -0.21937E-05 2539 0.139E-02 0.444E-02 RMM: 7 -0.330712175809E+03 -0.40970E-06 -0.21980E-05 2531 0.146E-02 989 T= 5879. E= 0.67454310E+03 F= 0.62555681E+03 E0= 0.65360544E+03 EK= 0.47877E+02 SP= 0.11E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330867093037E+03 -0.15492E+00 -0.10480E-01 7664 0.230E+01 0.194E-01 RMM: 2 -0.330880243321E+03 -0.13150E-01 -0.84843E-02 4772 0.706E-01 0.919E-01 RMM: 3 -0.330874359388E+03 0.58839E-02 -0.10420E-02 5588 0.206E-01 0.188E-01 RMM: 4 -0.330874096179E+03 0.26321E-03 -0.81450E-04 4657 0.639E-02 0.101E-01 RMM: 5 -0.330874067550E+03 0.28629E-04 -0.13381E-04 3790 0.303E-02 0.807E-02 RMM: 6 -0.330874024367E+03 0.43183E-04 -0.33880E-05 2931 0.179E-02 0.237E-02 RMM: 7 -0.330874027416E+03 -0.30491E-05 -0.13625E-05 2489 0.118E-02 990 T= 5905. E= 0.67454044E+03 F= 0.62539496E+03 E0= 0.65348191E+03 EK= 0.48083E+02 SP= 0.11E+01 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331155172303E+03 -0.28115E+00 -0.11617E-01 7720 0.231E+01 0.163E-01 RMM: 2 -0.331169634233E+03 -0.14462E-01 -0.11295E-01 4787 0.798E-01 0.795E-01 RMM: 3 -0.331165090741E+03 0.45435E-02 -0.13012E-02 5851 0.211E-01 0.140E-01 RMM: 4 -0.331164795645E+03 0.29510E-03 -0.64016E-04 4730 0.578E-02 0.878E-02 RMM: 5 -0.331164744618E+03 0.51027E-04 -0.94830E-05 3690 0.268E-02 0.572E-02 RMM: 6 -0.331164725350E+03 0.19268E-04 -0.23557E-05 2553 0.144E-02 991 T= 5948. E= 0.67453710E+03 F= 0.62510426E+03 E0= 0.65324039E+03 EK= 0.48438E+02 SP= 0.98E+00 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331518766962E+03 -0.35402E+00 -0.10807E-01 7648 0.233E+01 0.157E-01 RMM: 2 -0.331531367906E+03 -0.12601E-01 -0.88922E-02 4923 0.686E-01 0.812E-01 RMM: 3 -0.331526444534E+03 0.49234E-02 -0.97700E-03 5615 0.194E-01 0.162E-01 RMM: 4 -0.331526193358E+03 0.25118E-03 -0.57958E-04 4647 0.521E-02 0.703E-02 RMM: 5 -0.331526159357E+03 0.34001E-04 -0.69611E-05 3492 0.229E-02 0.584E-02 RMM: 6 -0.331526147756E+03 0.11601E-04 -0.20114E-05 2515 0.136E-02 992 T= 6003. E= 0.67453362E+03 F= 0.62474284E+03 E0= 0.65293630E+03 EK= 0.48884E+02 SP= 0.88E+00 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331893650177E+03 -0.36749E+00 -0.11093E-01 7752 0.233E+01 0.287E-01 RMM: 2 -0.331917267801E+03 -0.23618E-01 -0.99064E-02 4941 0.756E-01 0.151E+00 RMM: 3 -0.331901571464E+03 0.15696E-01 -0.13345E-02 5392 0.264E-01 0.289E-01 RMM: 4 -0.331900956499E+03 0.61496E-03 -0.14566E-03 4727 0.786E-02 0.893E-02 RMM: 5 -0.331900926317E+03 0.30183E-04 -0.17623E-04 3959 0.312E-02 0.850E-02 RMM: 6 -0.331900881614E+03 0.44703E-04 -0.30081E-05 2754 0.167E-02 0.476E-02 RMM: 7 -0.331900881608E+03 0.57826E-08 -0.18561E-05 2517 0.137E-02 993 T= 6062. E= 0.67453148E+03 F= 0.62436811E+03 E0= 0.65262409E+03 EK= 0.49363E+02 SP= 0.77E+00 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332241757233E+03 -0.34088E+00 -0.11818E-01 7768 0.234E+01 0.262E-01 RMM: 2 -0.332262387311E+03 -0.20630E-01 -0.10174E-01 5023 0.734E-01 0.133E+00 RMM: 3 -0.332250009735E+03 0.12378E-01 -0.12732E-02 5450 0.249E-01 0.278E-01 RMM: 4 -0.332249486680E+03 0.52305E-03 -0.13661E-03 4727 0.789E-02 0.117E-01 RMM: 5 -0.332249468740E+03 0.17940E-04 -0.20701E-04 3897 0.361E-02 0.117E-01 RMM: 6 -0.332249375495E+03 0.93246E-04 -0.55092E-05 3281 0.221E-02 0.362E-02 RMM: 7 -0.332249375134E+03 0.36106E-06 -0.18193E-05 2520 0.130E-02 994 T= 6120. E= 0.67453095E+03 F= 0.62401961E+03 E0= 0.65233914E+03 EK= 0.49834E+02 SP= 0.64E+00 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332549546590E+03 -0.30017E+00 -0.11835E-01 7840 0.234E+01 0.229E-01 RMM: 2 -0.332567452360E+03 -0.17906E-01 -0.10050E-01 5070 0.716E-01 0.118E+00 RMM: 3 -0.332557731811E+03 0.97205E-02 -0.11402E-02 5505 0.228E-01 0.208E-01 RMM: 4 -0.332557418258E+03 0.31355E-03 -0.98385E-04 4847 0.626E-02 0.974E-02 RMM: 5 -0.332557353449E+03 0.64809E-04 -0.11856E-04 3827 0.282E-02 0.713E-02 RMM: 6 -0.332557322389E+03 0.31060E-04 -0.26519E-05 2707 0.153E-02 0.482E-02 RMM: 7 -0.332557318782E+03 0.36070E-05 -0.19990E-05 2546 0.137E-02 995 T= 6174. E= 0.67453195E+03 F= 0.62371167E+03 E0= 0.65209077E+03 EK= 0.50281E+02 SP= 0.49E+00 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332824728413E+03 -0.26741E+00 -0.11480E-01 8344 0.234E+01 0.173E-01 RMM: 2 -0.332836799416E+03 -0.12071E-01 -0.97292E-02 5095 0.694E-01 0.723E-01 RMM: 3 -0.332832937776E+03 0.38616E-02 -0.10582E-02 5814 0.195E-01 0.140E-01 RMM: 4 -0.332832705999E+03 0.23178E-03 -0.60776E-04 4752 0.508E-02 0.961E-02 RMM: 5 -0.332832643530E+03 0.62470E-04 -0.75185E-05 3534 0.244E-02 0.585E-02 RMM: 6 -0.332832628428E+03 0.15102E-04 -0.21082E-05 2550 0.137E-02 996 T= 6227. E= 0.67453329E+03 F= 0.62343636E+03 E0= 0.65186851E+03 EK= 0.50709E+02 SP= 0.33E+00 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333084816173E+03 -0.25217E+00 -0.12219E-01 8200 0.234E+01 0.202E-01 RMM: 2 -0.333101368216E+03 -0.16552E-01 -0.10974E-01 5173 0.721E-01 0.101E+00 RMM: 3 -0.333093943332E+03 0.74249E-02 -0.11194E-02 5707 0.209E-01 0.210E-01 RMM: 4 -0.333093541352E+03 0.40198E-03 -0.81364E-04 4796 0.596E-02 0.862E-02 RMM: 5 -0.333093493034E+03 0.48318E-04 -0.91295E-05 3790 0.239E-02 0.663E-02 RMM: 6 -0.333093474288E+03 0.18745E-04 -0.19223E-05 2536 0.128E-02 997 T= 6279. E= 0.67453500E+03 F= 0.62317551E+03 E0= 0.65165053E+03 EK= 0.51134E+02 SP= 0.17E+00 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333351084525E+03 -0.25759E+00 -0.12078E-01 8144 0.234E+01 0.317E-01 RMM: 2 -0.333382158779E+03 -0.31074E-01 -0.10382E-01 5136 0.735E-01 0.180E+00 RMM: 3 -0.333358976756E+03 0.23182E-01 -0.13972E-02 5396 0.282E-01 0.320E-01 RMM: 4 -0.333358217670E+03 0.75909E-03 -0.16230E-03 4746 0.832E-02 0.860E-02 RMM: 5 -0.333358186330E+03 0.31340E-04 -0.17633E-04 4157 0.301E-02 0.844E-02 RMM: 6 -0.333358142466E+03 0.43864E-04 -0.25871E-05 2604 0.154E-02 0.525E-02 RMM: 7 -0.333358147084E+03 -0.46185E-05 -0.26308E-05 2649 0.159E-02 998 T= 6333. E= 0.67453549E+03 F= 0.62291084E+03 E0= 0.65141759E+03 EK= 0.51571E+02 SP= -.12E-01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333625266087E+03 -0.26712E+00 -0.12345E-01 8336 0.234E+01 0.302E-01 RMM: 2 -0.333653355209E+03 -0.28089E-01 -0.11076E-01 5055 0.741E-01 0.166E+00 RMM: 3 -0.333633583567E+03 0.19772E-01 -0.13399E-02 5395 0.271E-01 0.271E-01 RMM: 4 -0.333633120422E+03 0.46315E-03 -0.16256E-03 4806 0.842E-02 0.128E-01 RMM: 5 -0.333633177846E+03 -0.57424E-04 -0.24817E-04 3892 0.387E-02 0.161E-01 RMM: 6 -0.333632998310E+03 0.17954E-03 -0.88866E-05 3617 0.274E-02 0.322E-02 RMM: 7 -0.333633000048E+03 -0.17374E-05 -0.20880E-05 2548 0.142E-02 999 T= 6389. E= 0.67453503E+03 F= 0.62263599E+03 E0= 0.65116345E+03 EK= 0.52025E+02 SP= -.20E+00 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333898148930E+03 -0.26515E+00 -0.12764E-01 8272 0.235E+01 0.227E-01 RMM: 2 -0.333919779645E+03 -0.21631E-01 -0.11881E-01 5028 0.764E-01 0.127E+00 RMM: 3 -0.333907902787E+03 0.11877E-01 -0.12204E-02 5552 0.239E-01 0.202E-01 RMM: 4 -0.333907581931E+03 0.32086E-03 -0.10342E-03 4861 0.661E-02 0.951E-02 RMM: 5 -0.333907536178E+03 0.45753E-04 -0.12942E-04 3843 0.298E-02 0.837E-02 RMM: 6 -0.333907489732E+03 0.46446E-04 -0.32514E-05 2820 0.172E-02 0.409E-02 RMM: 7 -0.333907489166E+03 0.56627E-06 -0.19323E-05 2526 0.135E-02 1000 T= 6445. E= 0.67453339E+03 F= 0.62236150E+03 E0= 0.65089906E+03 EK= 0.52484E+02 SP= -.38E+00 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334146469041E+03 -0.23898E+00 -0.12555E-01 8416 0.236E+01 0.187E-01 RMM: 2 -0.334162699452E+03 -0.16230E-01 -0.11433E-01 5082 0.754E-01 0.928E-01 RMM: 3 -0.334156085649E+03 0.66138E-02 -0.11044E-02 5902 0.210E-01 0.176E-01 RMM: 4 -0.334155762666E+03 0.32298E-03 -0.66152E-04 4745 0.573E-02 0.788E-02 RMM: 5 -0.334155743509E+03 0.19158E-04 -0.93477E-05 3712 0.256E-02 1001 T= 6498. E= 0.67453193E+03 F= 0.62211325E+03 E0= 0.65065259E+03 EK= 0.52920E+02 SP= -.57E+00 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334333584901E+03 -0.17782E+00 -0.13119E-01 8048 0.237E+01 0.129E-01 RMM: 2 -0.334348415427E+03 -0.14831E-01 -0.13738E-01 5032 0.823E-01 0.528E-01 RMM: 3 -0.334345792725E+03 0.26227E-02 -0.13371E-02 6378 0.210E-01 0.124E-01 RMM: 4 -0.334345495015E+03 0.29771E-03 -0.46798E-04 4520 0.529E-02 0.917E-02 RMM: 5 -0.334345435803E+03 0.59211E-04 -0.62912E-05 3271 0.246E-02 0.679E-02 RMM: 6 -0.334345427391E+03 0.84120E-05 -0.26795E-05 2557 0.154E-02 1002 T= 6545. E= 0.67453000E+03 F= 0.62192356E+03 E0= 0.65045860E+03 EK= 0.53298E+02 SP= -.76E+00 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334431475767E+03 -0.86040E-01 -0.13474E-01 8024 0.238E+01 0.289E-01 RMM: 2 -0.334461494861E+03 -0.30019E-01 -0.14543E-01 4829 0.884E-01 0.161E+00 RMM: 3 -0.334443468969E+03 0.18026E-01 -0.17691E-02 5485 0.293E-01 0.246E-01 RMM: 4 -0.334443023185E+03 0.44578E-03 -0.16050E-03 5136 0.782E-02 0.963E-02 RMM: 5 -0.334443018404E+03 0.47806E-05 -0.18742E-04 3897 0.348E-02 1003 T= 6580. E= 0.67452960E+03 F= 0.62182597E+03 E0= 0.65035225E+03 EK= 0.53585E+02 SP= -.95E+00 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334412194682E+03 0.30829E-01 -0.13073E-01 8104 0.239E+01 0.299E-01 RMM: 2 -0.334446821278E+03 -0.34627E-01 -0.13978E-01 5114 0.859E-01 0.184E+00 RMM: 3 -0.334423574837E+03 0.23246E-01 -0.16315E-02 5456 0.286E-01 0.268E-01 RMM: 4 -0.334423017477E+03 0.55736E-03 -0.15915E-03 4841 0.817E-02 0.115E-01 RMM: 5 -0.334422968884E+03 0.48593E-04 -0.21047E-04 3917 0.380E-02 0.987E-02 RMM: 6 -0.334422908688E+03 0.60195E-04 -0.53480E-05 3215 0.210E-02 0.506E-02 RMM: 7 -0.334422918068E+03 -0.93795E-05 -0.28405E-05 2592 0.159E-02 1004 T= 6601. E= 0.67453108E+03 F= 0.62184607E+03 E0= 0.65035994E+03 EK= 0.53755E+02 SP= -.11E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334262719161E+03 0.16019E+00 -0.13775E-01 8056 0.239E+01 0.213E-01 RMM: 2 -0.334282429909E+03 -0.19711E-01 -0.13904E-01 4892 0.851E-01 0.103E+00 RMM: 3 -0.334274612500E+03 0.78174E-02 -0.14802E-02 5694 0.247E-01 0.184E-01 RMM: 4 -0.334274324169E+03 0.28833E-03 -0.94488E-04 4883 0.657E-02 0.109E-01 RMM: 5 -0.334274270222E+03 0.53947E-04 -0.12915E-04 3845 0.291E-02 0.819E-02 RMM: 6 -0.334274226401E+03 0.43821E-04 -0.32385E-05 2886 0.173E-02 0.223E-02 RMM: 7 -0.334274229021E+03 -0.26203E-05 -0.11480E-05 2482 0.112E-02 1005 T= 6606. E= 0.67453231E+03 F= 0.62199476E+03 E0= 0.65049476E+03 EK= 0.53792E+02 SP= -.13E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333989505199E+03 0.28472E+00 -0.13247E-01 8176 0.239E+01 0.156E-01 RMM: 2 -0.334004240439E+03 -0.14735E-01 -0.12909E-01 5048 0.809E-01 0.654E-01 RMM: 3 -0.334000726985E+03 0.35135E-02 -0.12672E-02 6194 0.207E-01 0.127E-01 RMM: 4 -0.334000472993E+03 0.25399E-03 -0.52988E-04 4615 0.557E-02 0.122E-01 RMM: 5 -0.334000365087E+03 0.10791E-03 -0.98092E-05 3648 0.285E-02 0.563E-02 RMM: 6 -0.334000350072E+03 0.15015E-04 -0.22363E-05 2543 0.137E-02 1006 T= 6594. E= 0.67453438E+03 F= 0.62226864E+03 E0= 0.65075269E+03 EK= 0.53700E+02 SP= -.15E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333608632692E+03 0.39173E+00 -0.12755E-01 8112 0.238E+01 0.157E-01 RMM: 2 -0.333624672587E+03 -0.16040E-01 -0.13020E-01 4985 0.812E-01 0.769E-01 RMM: 3 -0.333620066414E+03 0.46062E-02 -0.13238E-02 6017 0.217E-01 0.148E-01 RMM: 4 -0.333619742764E+03 0.32365E-03 -0.54531E-04 4819 0.528E-02 0.803E-02 RMM: 5 -0.333619698909E+03 0.43855E-04 -0.70733E-05 3432 0.251E-02 0.603E-02 RMM: 6 -0.333619690472E+03 0.84371E-05 -0.24125E-05 2541 0.148E-02 1007 T= 6569. E= 0.67453696E+03 F= 0.62264930E+03 E0= 0.65111644E+03 EK= 0.53498E+02 SP= -.17E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333156466972E+03 0.46323E+00 -0.12227E-01 8168 0.238E+01 0.343E-01 RMM: 2 -0.333192850885E+03 -0.36384E-01 -0.11644E-01 4992 0.807E-01 0.196E+00 RMM: 3 -0.333165260853E+03 0.27590E-01 -0.16633E-02 5396 0.309E-01 0.306E-01 RMM: 4 -0.333164597997E+03 0.66286E-03 -0.18679E-03 4969 0.883E-02 0.905E-02 RMM: 5 -0.333164596765E+03 0.12316E-05 -0.20319E-04 3951 0.333E-02 0.108E-01 RMM: 6 -0.333164521546E+03 0.75219E-04 -0.43002E-05 3065 0.198E-02 0.380E-02 RMM: 7 -0.333164523401E+03 -0.18547E-05 -0.17784E-05 2512 0.132E-02 1008 T= 6535. E= 0.67454038E+03 F= 0.62310447E+03 E0= 0.65155310E+03 EK= 0.53219E+02 SP= -.18E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332669070537E+03 0.49545E+00 -0.12150E-01 8232 0.237E+01 0.265E-01 RMM: 2 -0.332694932216E+03 -0.25862E-01 -0.11780E-01 4923 0.788E-01 0.150E+00 RMM: 3 -0.332678646135E+03 0.16286E-01 -0.14278E-02 5415 0.272E-01 0.263E-01 RMM: 4 -0.332678181825E+03 0.46431E-03 -0.14786E-03 4898 0.805E-02 0.106E-01 RMM: 5 -0.332678169645E+03 0.12180E-04 -0.18351E-04 3911 0.338E-02 1009 T= 6497. E= 0.67454504E+03 F= 0.62359082E+03 E0= 0.65201932E+03 EK= 0.52907E+02 SP= -.20E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332195958029E+03 0.48222E+00 -0.12989E-01 8056 0.236E+01 0.186E-01 RMM: 2 -0.332215791414E+03 -0.19833E-01 -0.13609E-01 4907 0.856E-01 0.103E+00 RMM: 3 -0.332207840256E+03 0.79512E-02 -0.15035E-02 5706 0.244E-01 0.182E-01 RMM: 4 -0.332207466253E+03 0.37400E-03 -0.82116E-04 5218 0.592E-02 0.784E-02 RMM: 5 -0.332207421018E+03 0.45235E-04 -0.91279E-05 3608 0.277E-02 0.714E-02 RMM: 6 -0.332207402767E+03 0.18251E-04 -0.27404E-05 2562 0.157E-02 1010 T= 6461. E= 0.67454999E+03 F= 0.62406159E+03 E0= 0.65246548E+03 EK= 0.52611E+02 SP= -.22E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331792736974E+03 0.41468E+00 -0.12684E-01 7936 0.236E+01 0.300E-01 RMM: 2 -0.331825192173E+03 -0.32455E-01 -0.12723E-01 4822 0.851E-01 0.177E+00 RMM: 3 -0.331803010442E+03 0.22182E-01 -0.17297E-02 5419 0.303E-01 0.241E-01 RMM: 4 -0.331802608708E+03 0.40173E-03 -0.17188E-03 5138 0.780E-02 0.966E-02 RMM: 5 -0.331802563954E+03 0.44754E-04 -0.15978E-04 3893 0.313E-02 0.916E-02 RMM: 6 -0.331802512034E+03 0.51920E-04 -0.33038E-05 2877 0.175E-02 0.415E-02 RMM: 7 -0.331802511350E+03 0.68415E-06 -0.16252E-05 2502 0.130E-02 1011 T= 6432. E= 0.67455335E+03 F= 0.62446648E+03 E0= 0.65284217E+03 EK= 0.52379E+02 SP= -.24E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331500945826E+03 0.30157E+00 -0.12569E-01 7760 0.236E+01 0.358E-01 RMM: 2 -0.331540552378E+03 -0.39607E-01 -0.13790E-01 4832 0.899E-01 0.203E+00 RMM: 3 -0.331511682838E+03 0.28870E-01 -0.19466E-02 5418 0.328E-01 0.348E-01 RMM: 4 -0.331510821105E+03 0.86173E-03 -0.22482E-03 5208 0.985E-02 0.121E-01 RMM: 5 -0.331510884774E+03 -0.63669E-04 -0.30642E-04 3896 0.405E-02 0.159E-01 RMM: 6 -0.331510708688E+03 0.17609E-03 -0.91089E-05 3638 0.271E-02 0.368E-02 RMM: 7 -0.331510703988E+03 0.46998E-05 -0.18266E-05 2547 0.122E-02 1012 T= 6418. E= 0.67455618E+03 F= 0.62475829E+03 E0= 0.65310194E+03 EK= 0.52262E+02 SP= -.25E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331358718943E+03 0.15199E+00 -0.13347E-01 7784 0.236E+01 0.226E-01 RMM: 2 -0.331382966293E+03 -0.24247E-01 -0.14697E-01 4778 0.910E-01 0.126E+00 RMM: 3 -0.331371392082E+03 0.11574E-01 -0.17139E-02 5589 0.268E-01 0.179E-01 RMM: 4 -0.331371055014E+03 0.33707E-03 -0.11606E-03 5152 0.691E-02 0.881E-02 RMM: 5 -0.331371005906E+03 0.49107E-04 -0.12904E-04 4098 0.281E-02 0.730E-02 RMM: 6 -0.331370974673E+03 0.31233E-04 -0.25044E-05 2565 0.149E-02 0.425E-02 RMM: 7 -0.331370976220E+03 -0.15465E-05 -0.19263E-05 2528 0.134E-02 1013 T= 6422. E= 0.67455829E+03 F= 0.62489801E+03 E0= 0.65320654E+03 EK= 0.52300E+02 SP= -.27E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331402462877E+03 -0.31488E-01 -0.12672E-01 7824 0.237E+01 0.177E-01 RMM: 2 -0.331418014405E+03 -0.15552E-01 -0.12451E-01 4721 0.850E-01 0.796E-01 RMM: 3 -0.331413479930E+03 0.45345E-02 -0.14903E-02 5943 0.230E-01 0.177E-01 RMM: 4 -0.331413064612E+03 0.41532E-03 -0.72256E-04 4870 0.623E-02 0.789E-02 RMM: 5 -0.331413037617E+03 0.26995E-04 -0.10199E-04 3748 0.281E-02 0.677E-02 RMM: 6 -0.331413011886E+03 0.25731E-04 -0.24961E-05 2564 0.152E-02 0.363E-02 RMM: 7 -0.331413013409E+03 -0.15224E-05 -0.15830E-05 2490 0.128E-02 1014 T= 6449. E= 0.67455902E+03 F= 0.62485598E+03 E0= 0.65312727E+03 EK= 0.52521E+02 SP= -.29E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331638563142E+03 -0.22555E+00 -0.12760E-01 7768 0.238E+01 0.159E-01 RMM: 2 -0.331652516108E+03 -0.13953E-01 -0.12076E-01 4761 0.834E-01 0.674E-01 RMM: 3 -0.331649211656E+03 0.33045E-02 -0.14125E-02 6042 0.216E-01 0.138E-01 RMM: 4 -0.331648898524E+03 0.31313E-03 -0.63370E-04 4702 0.615E-02 0.107E-01 RMM: 5 -0.331648819833E+03 0.78691E-04 -0.96059E-05 3620 0.284E-02 0.550E-02 RMM: 6 -0.331648804921E+03 0.14912E-04 -0.22702E-05 2539 0.139E-02 1015 T= 6501. E= 0.67455848E+03 F= 0.62462018E+03 E0= 0.65285432E+03 EK= 0.52937E+02 SP= -.31E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332058949734E+03 -0.41013E+00 -0.12149E-01 7640 0.240E+01 0.186E-01 RMM: 2 -0.332074993683E+03 -0.16044E-01 -0.10779E-01 4771 0.798E-01 0.990E-01 RMM: 3 -0.332068318034E+03 0.66756E-02 -0.12861E-02 5710 0.226E-01 0.184E-01 RMM: 4 -0.332067965992E+03 0.35204E-03 -0.74140E-04 4898 0.587E-02 0.707E-02 RMM: 5 -0.332067936977E+03 0.29015E-04 -0.94777E-05 3731 0.272E-02 0.639E-02 RMM: 6 -0.332067920374E+03 0.16603E-04 -0.24156E-05 2550 0.145E-02 1016 T= 6574. E= 0.67455686E+03 F= 0.62420107E+03 E0= 0.65239976E+03 EK= 0.53538E+02 SP= -.32E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332632448439E+03 -0.56451E+00 -0.11573E-01 7640 0.242E+01 0.285E-01 RMM: 2 -0.332658223194E+03 -0.25775E-01 -0.84346E-02 4963 0.733E-01 0.166E+00 RMM: 3 -0.332639017358E+03 0.19206E-01 -0.12583E-02 5369 0.268E-01 0.251E-01 RMM: 4 -0.332638580828E+03 0.43653E-03 -0.13251E-03 4693 0.737E-02 0.831E-02 RMM: 5 -0.332638559251E+03 0.21577E-04 -0.15136E-04 3917 0.310E-02 0.864E-02 RMM: 6 -0.332638512211E+03 0.47040E-04 -0.31647E-05 2736 0.169E-02 0.427E-02 RMM: 7 -0.332638516365E+03 -0.41538E-05 -0.23395E-05 2529 0.154E-02 1017 T= 6667. E= 0.67455385E+03 F= 0.62363047E+03 E0= 0.65179699E+03 EK= 0.54288E+02 SP= -.34E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333301647891E+03 -0.66314E+00 -0.11750E-01 7608 0.244E+01 0.265E-01 RMM: 2 -0.333321190989E+03 -0.19543E-01 -0.88154E-02 4896 0.747E-01 0.137E+00 RMM: 3 -0.333308551364E+03 0.12640E-01 -0.11733E-02 5364 0.253E-01 0.279E-01 RMM: 4 -0.333308029064E+03 0.52230E-03 -0.12601E-03 4731 0.755E-02 0.830E-02 RMM: 5 -0.333308054440E+03 -0.25376E-04 -0.18552E-04 3877 0.348E-02 0.114E-01 RMM: 6 -0.333307965819E+03 0.88621E-04 -0.49166E-05 3183 0.208E-02 0.289E-02 RMM: 7 -0.333307968054E+03 -0.22352E-05 -0.17644E-05 2508 0.132E-02 1018 T= 6770. E= 0.67454939E+03 F= 0.62296102E+03 E0= 0.65109988E+03 EK= 0.55132E+02 SP= -.36E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333999652336E+03 -0.69169E+00 -0.11665E-01 7720 0.246E+01 0.195E-01 RMM: 2 -0.334014200511E+03 -0.14548E-01 -0.90471E-02 4885 0.748E-01 0.101E+00 RMM: 3 -0.334007348091E+03 0.68524E-02 -0.10879E-02 5596 0.211E-01 0.174E-01 RMM: 4 -0.334007076297E+03 0.27179E-03 -0.75420E-04 4699 0.609E-02 0.891E-02 RMM: 5 -0.334007031738E+03 0.44559E-04 -0.11656E-04 3825 0.288E-02 0.692E-02 RMM: 6 -0.334007001936E+03 0.29802E-04 -0.27439E-05 2600 0.154E-02 0.374E-02 RMM: 7 -0.334006999311E+03 0.26250E-05 -0.20143E-05 2507 0.140E-02 1019 T= 6876. E= 0.67454390E+03 F= 0.62226199E+03 E0= 0.65037802E+03 EK= 0.55996E+02 SP= -.38E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334647021479E+03 -0.64002E+00 -0.12067E-01 7672 0.248E+01 0.167E-01 RMM: 2 -0.334659455349E+03 -0.12434E-01 -0.10264E-01 4754 0.797E-01 0.714E-01 RMM: 3 -0.334656030563E+03 0.34248E-02 -0.12668E-02 5883 0.211E-01 0.150E-01 RMM: 4 -0.334655732157E+03 0.29841E-03 -0.61637E-04 4849 0.579E-02 0.840E-02 RMM: 5 -0.334655683902E+03 0.48255E-04 -0.94922E-05 3696 0.284E-02 0.550E-02 RMM: 6 -0.334655669026E+03 0.14875E-04 -0.23145E-05 2545 0.140E-02 1020 T= 6975. E= 0.67453834E+03 F= 0.62161332E+03 E0= 0.64971115E+03 EK= 0.56797E+02 SP= -.39E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335161994083E+03 -0.50631E+00 -0.12815E-01 7664 0.250E+01 0.177E-01 RMM: 2 -0.335178725219E+03 -0.16731E-01 -0.12688E-01 4759 0.881E-01 0.883E-01 RMM: 3 -0.335173286228E+03 0.54390E-02 -0.15384E-02 5887 0.230E-01 0.162E-01 RMM: 4 -0.335172906676E+03 0.37955E-03 -0.75626E-04 4875 0.636E-02 0.836E-02 RMM: 5 -0.335172853815E+03 0.52861E-04 -0.10795E-04 3964 0.286E-02 0.555E-02 RMM: 6 -0.335172841411E+03 0.12405E-04 -0.23465E-05 2536 0.139E-02 1021 T= 7055. E= 0.67453429E+03 F= 0.62109615E+03 E0= 0.64918019E+03 EK= 0.57450E+02 SP= -.40E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335483274791E+03 -0.31042E+00 -0.12272E-01 7480 0.251E+01 0.237E-01 RMM: 2 -0.335503194462E+03 -0.19920E-01 -0.93588E-02 4847 0.769E-01 0.132E+00 RMM: 3 -0.335490996569E+03 0.12198E-01 -0.12278E-02 5418 0.249E-01 0.215E-01 RMM: 4 -0.335490658196E+03 0.33837E-03 -0.11142E-03 4840 0.684E-02 0.767E-02 RMM: 5 -0.335490631649E+03 0.26547E-04 -0.13947E-04 4082 0.296E-02 0.728E-02 RMM: 6 -0.335490599564E+03 0.32085E-04 -0.26971E-05 2587 0.154E-02 0.421E-02 RMM: 7 -0.335490603137E+03 -0.35734E-05 -0.21674E-05 2522 0.148E-02 1022 T= 7108. E= 0.67453104E+03 F= 0.62077839E+03 E0= 0.64885330E+03 EK= 0.57883E+02 SP= -.41E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335550466673E+03 -0.59867E-01 -0.14006E-01 7552 0.251E+01 0.245E-01 RMM: 2 -0.335570848972E+03 -0.20382E-01 -0.13024E-01 4720 0.906E-01 0.115E+00 RMM: 3 -0.335561579014E+03 0.92700E-02 -0.16335E-02 5569 0.267E-01 0.246E-01 RMM: 4 -0.335561075648E+03 0.50337E-03 -0.13134E-03 4933 0.779E-02 0.915E-02 RMM: 5 -0.335561060428E+03 0.15220E-04 -0.18276E-04 4040 0.318E-02 1023 T= 7128. E= 0.67453071E+03 F= 0.62070793E+03 E0= 0.64877739E+03 EK= 0.58047E+02 SP= -.42E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335360614100E+03 0.20046E+00 -0.12942E-01 7752 0.250E+01 0.169E-01 RMM: 2 -0.335373620700E+03 -0.13007E-01 -0.91463E-02 4803 0.741E-01 0.842E-01 RMM: 3 -0.335368658027E+03 0.49627E-02 -0.11133E-02 5687 0.214E-01 0.176E-01 RMM: 4 -0.335368361051E+03 0.29698E-03 -0.62588E-04 4758 0.556E-02 0.772E-02 RMM: 5 -0.335368319526E+03 0.41525E-04 -0.85834E-05 3700 0.260E-02 0.668E-02 RMM: 6 -0.335368299277E+03 0.20249E-04 -0.25192E-05 2542 0.149E-02 0.557E-02 RMM: 7 -0.335368315115E+03 -0.15839E-04 -0.94514E-05 3886 0.229E-02 1024 T= 7113. E= 0.67453291E+03 F= 0.62090067E+03 E0= 0.64896845E+03 EK= 0.57923E+02 SP= -.43E+01 SK= 0.50E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334922037865E+03 0.44626E+00 -0.12686E-01 7656 0.248E+01 0.224E-01 RMM: 2 -0.334937389686E+03 -0.15352E-01 -0.10711E-01 4661 0.816E-01 0.952E-01 RMM: 3 -0.334931006474E+03 0.63832E-02 -0.13623E-02 5627 0.240E-01 0.200E-01 RMM: 4 -0.334930694595E+03 0.31188E-03 -0.98704E-04 4794 0.697E-02 0.117E-01 RMM: 5 -0.334930645199E+03 0.49396E-04 -0.15457E-04 3863 0.317E-02 0.859E-02 RMM: 6 -0.334930596501E+03 0.48698E-04 -0.37838E-05 2988 0.186E-02 0.217E-02 RMM: 7 -0.334930596921E+03 -0.42009E-06 -0.11625E-05 2477 0.111E-02 1025 T= 7065. E= 0.67453686E+03 F= 0.62133839E+03 E0= 0.64941000E+03 EK= 0.57531E+02 SP= -.43E+01 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334282166470E+03 0.64843E+00 -0.12450E-01 7720 0.246E+01 0.157E-01 RMM: 2 -0.334294701059E+03 -0.12535E-01 -0.10582E-01 4754 0.796E-01 0.668E-01 RMM: 3 -0.334291595666E+03 0.31054E-02 -0.13104E-02 5983 0.214E-01 0.153E-01 RMM: 4 -0.334291257736E+03 0.33793E-03 -0.57118E-04 4692 0.572E-02 0.822E-02 RMM: 5 -0.334291207239E+03 0.50497E-04 -0.86841E-05 3632 0.273E-02 0.644E-02 RMM: 6 -0.334291185095E+03 0.22144E-04 -0.25064E-05 2545 0.151E-02 0.427E-02 RMM: 7 -0.334291175435E+03 0.96608E-05 -0.44513E-05 2775 0.177E-02 1026 T= 6989. E= 0.67454131E+03 F= 0.62197781E+03 E0= 0.65005869E+03 EK= 0.56914E+02 SP= -.44E+01 SK= 0.99E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.333494070833E+03 0.79711E+00 -0.11834E-01 7712 0.243E+01 0.183E-01 RMM: 2 -0.333506889701E+03 -0.12819E-01 -0.89819E-02 4723 0.743E-01 0.857E-01 RMM: 3 -0.333501833481E+03 0.50562E-02 -0.11437E-02 5741 0.217E-01 0.179E-01 RMM: 4 -0.333501532473E+03 0.30101E-03 -0.67593E-04 4716 0.589E-02 0.779E-02 RMM: 5 -0.333501513433E+03 0.19040E-04 -0.10300E-04 3680 0.285E-02 1027 T= 6892. E= 0.67454636E+03 F= 0.62276748E+03 E0= 0.65086399E+03 EK= 0.56127E+02 SP= -.43E+01 SK= 0.20E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332602644249E+03 0.89889E+00 -0.11269E-01 7824 0.240E+01 0.120E-01 RMM: 2 -0.332611432156E+03 -0.87879E-02 -0.81216E-02 4903 0.677E-01 0.462E-01 RMM: 3 -0.332609831351E+03 0.16008E-02 -0.91711E-03 6081 0.181E-01 0.123E-01 RMM: 4 -0.332609645832E+03 0.18552E-03 -0.33541E-04 4464 0.442E-02 0.809E-02 RMM: 5 -0.332609600774E+03 0.45059E-04 -0.45933E-05 2961 0.221E-02 0.692E-02 RMM: 6 -0.332609592262E+03 0.85118E-05 -0.31636E-05 2617 0.169E-02 1028 T= 6781. E= 0.67455043E+03 F= 0.62365940E+03 E0= 0.65177719E+03 EK= 0.55221E+02 SP= -.43E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331642268554E+03 0.96733E+00 -0.11410E-01 7712 0.236E+01 0.293E-01 RMM: 2 -0.331666988023E+03 -0.24719E-01 -0.92705E-02 4700 0.760E-01 0.157E+00 RMM: 3 -0.331649592493E+03 0.17396E-01 -0.14054E-02 5396 0.278E-01 0.287E-01 RMM: 4 -0.331649008751E+03 0.58374E-03 -0.15077E-03 4844 0.801E-02 0.782E-02 RMM: 5 -0.331649052373E+03 -0.43622E-04 -0.21643E-04 3922 0.351E-02 0.111E-01 RMM: 6 -0.331648973969E+03 0.78404E-04 -0.50785E-05 3211 0.210E-02 0.366E-02 RMM: 7 -0.331648969338E+03 0.46312E-05 -0.14757E-05 2498 0.123E-02 1029 T= 6660. E= 0.67455324E+03 F= 0.62462002E+03 E0= 0.65276490E+03 EK= 0.54234E+02 SP= -.43E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330632955405E+03 0.10160E+01 -0.11017E-01 7832 0.233E+01 0.255E-01 RMM: 2 -0.330656584813E+03 -0.23629E-01 -0.85700E-02 4942 0.708E-01 0.155E+00 RMM: 3 -0.330639716458E+03 0.16868E-01 -0.11559E-02 5389 0.248E-01 0.223E-01 RMM: 4 -0.330639352470E+03 0.36399E-03 -0.12099E-03 4782 0.720E-02 0.100E-01 RMM: 5 -0.330639307128E+03 0.45342E-04 -0.15700E-04 3882 0.334E-02 0.826E-02 RMM: 6 -0.330639256789E+03 0.50339E-04 -0.36780E-05 2877 0.177E-02 0.446E-02 RMM: 7 -0.330639253512E+03 0.32769E-05 -0.21681E-05 2526 0.145E-02 1030 T= 6532. E= 0.67455559E+03 F= 0.62562974E+03 E0= 0.65380583E+03 EK= 0.53192E+02 SP= -.43E+01 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329585163931E+03 0.10541E+01 -0.10751E-01 7920 0.230E+01 0.238E-01 RMM: 2 -0.329601420782E+03 -0.16257E-01 -0.79227E-02 4839 0.683E-01 0.116E+00 RMM: 3 -0.329591691961E+03 0.97288E-02 -0.10968E-02 5421 0.236E-01 0.250E-01 RMM: 4 -0.329591243861E+03 0.44810E-03 -0.10707E-03 4773 0.661E-02 0.724E-02 RMM: 5 -0.329591241131E+03 0.27294E-05 -0.14244E-04 3852 0.308E-02 1031 T= 6399. E= 0.67455833E+03 F= 0.62667775E+03 E0= 0.65488831E+03 EK= 0.52111E+02 SP= -.42E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328512923017E+03 0.10783E+01 -0.10642E-01 8056 0.227E+01 0.149E-01 RMM: 2 -0.328523946505E+03 -0.11023E-01 -0.80072E-02 5037 0.651E-01 0.754E-01 RMM: 3 -0.328519774060E+03 0.41724E-02 -0.86491E-03 5881 0.180E-01 0.144E-01 RMM: 4 -0.328519555097E+03 0.21896E-03 -0.45914E-04 4486 0.475E-02 0.872E-02 RMM: 5 -0.328519505498E+03 0.49599E-04 -0.65994E-05 3407 0.232E-02 0.628E-02 RMM: 6 -0.328519497909E+03 0.75886E-05 -0.24608E-05 2545 0.144E-02 1032 T= 6264. E= 0.67456163E+03 F= 0.62774949E+03 E0= 0.65599495E+03 EK= 0.51012E+02 SP= -.42E+01 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327442746196E+03 0.10768E+01 -0.10756E-01 7752 0.225E+01 0.262E-01 RMM: 2 -0.327465778162E+03 -0.23032E-01 -0.97985E-02 4729 0.748E-01 0.147E+00 RMM: 3 -0.327450727918E+03 0.15050E-01 -0.13622E-02 5417 0.263E-01 0.237E-01 RMM: 4 -0.327450334433E+03 0.39348E-03 -0.14449E-03 5165 0.702E-02 0.769E-02 RMM: 5 -0.327450327959E+03 0.64749E-05 -0.15043E-04 3834 0.327E-02 1033 T= 6131. E= 0.67456698E+03 F= 0.62881866E+03 E0= 0.65709945E+03 EK= 0.49927E+02 SP= -.42E+01 SK= 0.48E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326420351719E+03 0.10300E+01 -0.97357E-02 7840 0.223E+01 0.280E-01 RMM: 2 -0.326443431807E+03 -0.23080E-01 -0.83799E-02 5081 0.685E-01 0.154E+00 RMM: 3 -0.326426968761E+03 0.16463E-01 -0.11838E-02 5382 0.255E-01 0.307E-01 RMM: 4 -0.326426333844E+03 0.63492E-03 -0.14010E-03 4768 0.758E-02 0.948E-02 RMM: 5 -0.326426300073E+03 0.33771E-04 -0.17940E-04 3908 0.331E-02 0.917E-02 RMM: 6 -0.326426248196E+03 0.51877E-04 -0.41614E-05 3028 0.190E-02 0.484E-02 RMM: 7 -0.326426262072E+03 -0.13876E-04 -0.29180E-05 2616 0.159E-02 1034 T= 6005. E= 0.67457269E+03 F= 0.62984273E+03 E0= 0.65815715E+03 EK= 0.48900E+02 SP= -.42E+01 SK= 0.21E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.325494352422E+03 0.93190E+00 -0.10375E-01 8016 0.221E+01 0.240E-01 RMM: 2 -0.325513110703E+03 -0.18758E-01 -0.91220E-02 4851 0.706E-01 0.127E+00 RMM: 3 -0.325501762605E+03 0.11348E-01 -0.11292E-02 5521 0.227E-01 0.225E-01 RMM: 4 -0.325501371646E+03 0.39096E-03 -0.10587E-03 4800 0.667E-02 0.820E-02 RMM: 5 -0.325501382423E+03 -0.10777E-04 -0.15638E-04 3869 0.302E-02 1035 T= 5893. E= 0.67457860E+03 F= 0.63076761E+03 E0= 0.65911289E+03 EK= 0.47991E+02 SP= -.42E+01 SK= 0.98E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324731835307E+03 0.76954E+00 -0.98513E-02 7888 0.221E+01 0.141E-01 RMM: 2 -0.324742177271E+03 -0.10342E-01 -0.78775E-02 5098 0.644E-01 0.708E-01 RMM: 3 -0.324738599554E+03 0.35777E-02 -0.82380E-03 5845 0.174E-01 0.136E-01 RMM: 4 -0.324738404184E+03 0.19537E-03 -0.44796E-04 4481 0.451E-02 0.863E-02 RMM: 5 -0.324738343232E+03 0.60952E-04 -0.65923E-05 3459 0.223E-02 0.610E-02 RMM: 6 -0.324738329534E+03 0.13698E-04 -0.23578E-05 2547 0.143E-02 1036 T= 5804. E= 0.67458414E+03 F= 0.63153066E+03 E0= 0.65990402E+03 EK= 0.47264E+02 SP= -.42E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324194969041E+03 0.54337E+00 -0.97315E-02 7864 0.221E+01 0.210E-01 RMM: 2 -0.324210193285E+03 -0.15224E-01 -0.66102E-02 5072 0.591E-01 0.118E+00 RMM: 3 -0.324200217676E+03 0.99756E-02 -0.80369E-03 5411 0.203E-01 0.199E-01 RMM: 4 -0.324199947624E+03 0.27005E-03 -0.86942E-04 4798 0.585E-02 0.720E-02 RMM: 5 -0.324199927492E+03 0.20132E-04 -0.95021E-05 3772 0.236E-02 0.659E-02 RMM: 6 -0.324199902153E+03 0.25339E-04 -0.19881E-05 2559 0.136E-02 0.332E-02 RMM: 7 -0.324199905453E+03 -0.33006E-05 -0.14603E-05 2489 0.121E-02 1037 T= 5745. E= 0.67458827E+03 F= 0.63206908E+03 E0= 0.66046744E+03 EK= 0.46783E+02 SP= -.43E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323933943555E+03 0.26596E+00 -0.95492E-02 7784 0.221E+01 0.299E-01 RMM: 2 -0.323958138990E+03 -0.24195E-01 -0.79487E-02 5116 0.692E-01 0.164E+00 RMM: 3 -0.323939753026E+03 0.18386E-01 -0.11540E-02 5422 0.254E-01 0.275E-01 RMM: 4 -0.323939209970E+03 0.54306E-03 -0.13953E-03 4644 0.779E-02 0.104E-01 RMM: 5 -0.323939215612E+03 -0.56412E-05 -0.19841E-04 3881 0.352E-02 1038 T= 5723. E= 0.67459118E+03 F= 0.63232977E+03 E0= 0.66074914E+03 EK= 0.46604E+02 SP= -.44E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323979601175E+03 -0.40391E-01 -0.97480E-02 7832 0.223E+01 0.162E-01 RMM: 2 -0.323991193652E+03 -0.11592E-01 -0.69971E-02 5187 0.607E-01 0.894E-01 RMM: 3 -0.323985490595E+03 0.57031E-02 -0.70794E-03 5574 0.172E-01 0.159E-01 RMM: 4 -0.323985294238E+03 0.19636E-03 -0.53934E-04 4632 0.474E-02 0.788E-02 RMM: 5 -0.323985244989E+03 0.49249E-04 -0.69290E-05 3526 0.215E-02 0.640E-02 RMM: 6 -0.323985232292E+03 0.12697E-04 -0.30059E-05 2663 0.161E-02 1039 T= 5741. E= 0.67459168E+03 F= 0.63228376E+03 E0= 0.66072304E+03 EK= 0.46755E+02 SP= -.45E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324329582562E+03 -0.34434E+00 -0.10293E-01 7704 0.226E+01 0.296E-01 RMM: 2 -0.324355724904E+03 -0.26142E-01 -0.80705E-02 4973 0.694E-01 0.171E+00 RMM: 3 -0.324335662635E+03 0.20062E-01 -0.12813E-02 5371 0.269E-01 0.248E-01 RMM: 4 -0.324335255798E+03 0.40684E-03 -0.14318E-03 4789 0.736E-02 0.916E-02 RMM: 5 -0.324335245800E+03 0.99980E-05 -0.16767E-04 3880 0.314E-02 1040 T= 5800. E= 0.67459011E+03 F= 0.63193374E+03 E0= 0.66038888E+03 EK= 0.47235E+02 SP= -.46E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324946313617E+03 -0.61106E+00 -0.10520E-01 7696 0.229E+01 0.309E-01 RMM: 2 -0.324974472541E+03 -0.28159E-01 -0.82591E-02 5153 0.704E-01 0.180E+00 RMM: 3 -0.324952512738E+03 0.21960E-01 -0.12429E-02 5373 0.270E-01 0.291E-01 RMM: 4 -0.324951896294E+03 0.61644E-03 -0.14188E-03 4689 0.759E-02 0.967E-02 RMM: 5 -0.324951852945E+03 0.43349E-04 -0.17126E-04 3886 0.330E-02 0.849E-02 RMM: 6 -0.324951802858E+03 0.50087E-04 -0.34317E-05 2831 0.176E-02 0.451E-02 RMM: 7 -0.324951802525E+03 0.33313E-06 -0.22157E-05 2531 0.146E-02 1041 T= 5895. E= 0.67458594E+03 F= 0.63131719E+03 E0= 0.65978733E+03 EK= 0.48005E+02 SP= -.48E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325754109602E+03 -0.80231E+00 -0.11270E-01 7576 0.232E+01 0.233E-01 RMM: 2 -0.325771521691E+03 -0.17412E-01 -0.87861E-02 4847 0.738E-01 0.122E+00 RMM: 3 -0.325761341796E+03 0.10180E-01 -0.10709E-02 5422 0.225E-01 0.212E-01 RMM: 4 -0.325761038847E+03 0.30295E-03 -0.98381E-04 4694 0.662E-02 0.941E-02 RMM: 5 -0.325761007693E+03 0.31154E-04 -0.15022E-04 3861 0.316E-02 0.819E-02 RMM: 6 -0.325760964633E+03 0.43060E-04 -0.33918E-05 2904 0.174E-02 0.272E-02 RMM: 7 -0.325760967876E+03 -0.32434E-05 -0.15514E-05 2490 0.125E-02 1042 T= 6016. E= 0.67457898E+03 F= 0.63050802E+03 E0= 0.65899088E+03 EK= 0.48989E+02 SP= -.50E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326654338721E+03 -0.89337E+00 -0.11323E-01 7616 0.236E+01 0.188E-01 RMM: 2 -0.326666895215E+03 -0.12556E-01 -0.86938E-02 4964 0.728E-01 0.873E-01 RMM: 3 -0.326661712720E+03 0.51825E-02 -0.97843E-03 5710 0.193E-01 0.168E-01 RMM: 4 -0.326661486785E+03 0.22594E-03 -0.66909E-04 4617 0.595E-02 0.115E-01 RMM: 5 -0.326661385905E+03 0.10088E-03 -0.11270E-04 3697 0.280E-02 0.628E-02 RMM: 6 -0.326661364079E+03 0.21826E-04 -0.26168E-05 2609 0.152E-02 0.394E-02 RMM: 7 -0.326661358280E+03 0.57988E-05 -0.19473E-05 2499 0.134E-02 1043 T= 6150. E= 0.67457107E+03 F= 0.62960763E+03 E0= 0.65810288E+03 EK= 0.50084E+02 SP= -.52E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327532813364E+03 -0.87145E+00 -0.12080E-01 7816 0.239E+01 0.184E-01 RMM: 2 -0.327544824198E+03 -0.12011E-01 -0.90302E-02 4846 0.750E-01 0.801E-01 RMM: 3 -0.327540636548E+03 0.41877E-02 -0.10821E-02 5752 0.201E-01 0.173E-01 RMM: 4 -0.327540328346E+03 0.30820E-03 -0.63356E-04 4729 0.571E-02 0.872E-02 RMM: 5 -0.327540277848E+03 0.50497E-04 -0.98630E-05 3702 0.276E-02 0.608E-02 RMM: 6 -0.327540258930E+03 0.18918E-04 -0.24985E-05 2554 0.149E-02 1044 T= 6284. E= 0.67456369E+03 F= 0.62872873E+03 E0= 0.65723600E+03 EK= 0.51175E+02 SP= -.55E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328281957057E+03 -0.74168E+00 -0.12802E-01 7656 0.242E+01 0.219E-01 RMM: 2 -0.328298079882E+03 -0.16123E-01 -0.98396E-02 4878 0.780E-01 0.108E+00 RMM: 3 -0.328290292264E+03 0.77876E-02 -0.11810E-02 5494 0.226E-01 0.202E-01 RMM: 4 -0.328289976878E+03 0.31539E-03 -0.86965E-04 4720 0.632E-02 0.954E-02 RMM: 5 -0.328289912020E+03 0.64858E-04 -0.12683E-04 3853 0.305E-02 0.662E-02 RMM: 6 -0.328289889384E+03 0.22636E-04 -0.27989E-05 2586 0.153E-02 0.476E-02 RMM: 7 -0.328289887319E+03 0.20652E-05 -0.23888E-05 2513 0.155E-02 1045 T= 6404. E= 0.67455746E+03 F= 0.62797910E+03 E0= 0.65649933E+03 EK= 0.52151E+02 SP= -.57E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328816800246E+03 -0.52691E+00 -0.12450E-01 7528 0.243E+01 0.220E-01 RMM: 2 -0.328829177466E+03 -0.12377E-01 -0.75813E-02 4996 0.706E-01 0.972E-01 RMM: 3 -0.328822967686E+03 0.62098E-02 -0.88097E-03 5432 0.203E-01 0.219E-01 RMM: 4 -0.328822668893E+03 0.29879E-03 -0.89583E-04 4641 0.678E-02 0.111E-01 RMM: 5 -0.328822589422E+03 0.79471E-04 -0.13826E-04 3839 0.304E-02 0.675E-02 RMM: 6 -0.328822565104E+03 0.24318E-04 -0.26313E-05 2622 0.158E-02 0.341E-02 RMM: 7 -0.328822566259E+03 -0.11552E-05 -0.16866E-05 2494 0.127E-02 1046 T= 6499. E= 0.67455371E+03 F= 0.62744642E+03 E0= 0.65597952E+03 EK= 0.52920E+02 SP= -.59E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329076602631E+03 -0.25404E+00 -0.13596E-01 7576 0.244E+01 0.178E-01 RMM: 2 -0.329090664753E+03 -0.14062E-01 -0.10845E-01 4852 0.812E-01 0.829E-01 RMM: 3 -0.329086088144E+03 0.45766E-02 -0.12693E-02 5847 0.209E-01 0.155E-01 RMM: 4 -0.329085795153E+03 0.29299E-03 -0.65926E-04 4644 0.611E-02 0.106E-01 RMM: 5 -0.329085721613E+03 0.73540E-04 -0.10442E-04 3687 0.291E-02 0.654E-02 RMM: 6 -0.329085700695E+03 0.20918E-04 -0.29103E-05 2634 0.161E-02 0.445E-02 RMM: 7 -0.329085699826E+03 0.86887E-06 -0.24087E-05 2520 0.151E-02 1047 T= 6561. E= 0.67455256E+03 F= 0.62718329E+03 E0= 0.65572957E+03 EK= 0.53425E+02 SP= -.62E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329058041416E+03 0.27659E-01 -0.12672E-01 7608 0.244E+01 0.174E-01 RMM: 2 -0.329068074451E+03 -0.10033E-01 -0.79949E-02 4880 0.711E-01 0.712E-01 RMM: 3 -0.329064832075E+03 0.32424E-02 -0.97173E-03 5778 0.195E-01 0.113E-01 RMM: 4 -0.329064696799E+03 0.13528E-03 -0.50597E-04 4715 0.506E-02 0.114E-01 RMM: 5 -0.329064611954E+03 0.84845E-04 -0.79353E-05 3552 0.268E-02 0.538E-02 RMM: 6 -0.329064599440E+03 0.12513E-04 -0.22758E-05 2546 0.141E-02 1048 T= 6588. E= 0.67455485E+03 F= 0.62720439E+03 E0= 0.65576253E+03 EK= 0.53649E+02 SP= -.64E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328780510098E+03 0.28410E+00 -0.12495E-01 7520 0.243E+01 0.179E-01 RMM: 2 -0.328793467211E+03 -0.12957E-01 -0.82073E-02 4893 0.708E-01 0.937E-01 RMM: 3 -0.328787471976E+03 0.59952E-02 -0.92507E-03 5484 0.204E-01 0.178E-01 RMM: 4 -0.328787246922E+03 0.22505E-03 -0.65470E-04 4671 0.568E-02 0.894E-02 RMM: 5 -0.328787199106E+03 0.47817E-04 -0.93980E-05 3671 0.268E-02 0.659E-02 RMM: 6 -0.328787178467E+03 0.20638E-04 -0.25235E-05 2583 0.151E-02 0.481E-02 RMM: 7 -0.328787181208E+03 -0.27411E-05 -0.25883E-05 2544 0.159E-02 1049 T= 6584. E= 0.67455913E+03 F= 0.62748181E+03 E0= 0.65605129E+03 EK= 0.53615E+02 SP= -.66E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328309181692E+03 0.47800E+00 -0.12301E-01 7368 0.241E+01 0.212E-01 RMM: 2 -0.328322605018E+03 -0.13423E-01 -0.78669E-02 4857 0.711E-01 0.101E+00 RMM: 3 -0.328315657012E+03 0.69480E-02 -0.97997E-03 5455 0.218E-01 0.191E-01 RMM: 4 -0.328315448766E+03 0.20825E-03 -0.84206E-04 4646 0.652E-02 0.108E-01 RMM: 5 -0.328315405504E+03 0.43262E-04 -0.11927E-04 3769 0.282E-02 0.914E-02 RMM: 6 -0.328315355077E+03 0.50427E-04 -0.33745E-05 2871 0.181E-02 0.310E-02 RMM: 7 -0.328315358165E+03 -0.30877E-05 -0.15644E-05 2499 0.127E-02 1050 T= 6556. E= 0.67456540E+03 F= 0.62795363E+03 E0= 0.65653383E+03 EK= 0.53385E+02 SP= -.69E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327727079551E+03 0.58828E+00 -0.12229E-01 7376 0.239E+01 0.171E-01 RMM: 2 -0.327738467867E+03 -0.11388E-01 -0.87469E-02 4944 0.727E-01 0.763E-01 RMM: 3 -0.327734511571E+03 0.39563E-02 -0.97900E-03 5716 0.196E-01 0.156E-01 RMM: 4 -0.327734292997E+03 0.21857E-03 -0.54877E-04 4633 0.547E-02 0.103E-01 RMM: 5 -0.327734236086E+03 0.56911E-04 -0.91929E-05 3584 0.268E-02 0.735E-02 RMM: 6 -0.327734205772E+03 0.30314E-04 -0.28584E-05 2722 0.167E-02 0.391E-02 RMM: 7 -0.327734209418E+03 -0.36460E-05 -0.24511E-05 2530 0.149E-02 1051 T= 6514. E= 0.67457263E+03 F= 0.62853478E+03 E0= 0.65712582E+03 EK= 0.53043E+02 SP= -.71E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327130664681E+03 0.60354E+00 -0.12416E-01 7376 0.237E+01 0.180E-01 RMM: 2 -0.327142167215E+03 -0.11503E-01 -0.85383E-02 4874 0.731E-01 0.791E-01 RMM: 3 -0.327137884139E+03 0.42831E-02 -0.10055E-02 5713 0.204E-01 0.152E-01 RMM: 4 -0.327137689641E+03 0.19450E-03 -0.59714E-04 4668 0.573E-02 0.105E-01 RMM: 5 -0.327137632529E+03 0.57112E-04 -0.90520E-05 3590 0.266E-02 0.707E-02 RMM: 6 -0.327137603894E+03 0.28635E-04 -0.26695E-05 2587 0.160E-02 0.317E-02 RMM: 7 -0.327137606780E+03 -0.28858E-05 -0.14998E-05 2497 0.121E-02 1052 T= 6469. E= 0.67457897E+03 F= 0.62913138E+03 E0= 0.65773437E+03 EK= 0.52683E+02 SP= -.73E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326604137392E+03 0.53347E+00 -0.12388E-01 7312 0.235E+01 0.173E-01 RMM: 2 -0.326616923891E+03 -0.12786E-01 -0.10394E-01 4873 0.789E-01 0.744E-01 RMM: 3 -0.326613135330E+03 0.37886E-02 -0.12093E-02 5880 0.209E-01 0.148E-01 RMM: 4 -0.326612877632E+03 0.25770E-03 -0.60539E-04 4688 0.592E-02 0.109E-01 RMM: 5 -0.326612814552E+03 0.63080E-04 -0.97730E-05 3609 0.279E-02 0.724E-02 RMM: 6 -0.326612784874E+03 0.29678E-04 -0.28230E-05 2664 0.166E-02 0.342E-02 RMM: 7 -0.326612786097E+03 -0.12232E-05 -0.16424E-05 2493 0.124E-02 1053 T= 6434. E= 0.67458409E+03 F= 0.62965620E+03 E0= 0.65827343E+03 EK= 0.52393E+02 SP= -.76E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326220868810E+03 0.39192E+00 -0.12045E-01 7552 0.234E+01 0.182E-01 RMM: 2 -0.326234627990E+03 -0.13759E-01 -0.10599E-01 4820 0.810E-01 0.813E-01 RMM: 3 -0.326230079104E+03 0.45489E-02 -0.12706E-02 5772 0.221E-01 0.171E-01 RMM: 4 -0.326229770858E+03 0.30825E-03 -0.67118E-04 4721 0.607E-02 0.892E-02 RMM: 5 -0.326229731316E+03 0.39542E-04 -0.98186E-05 3736 0.272E-02 0.710E-02 RMM: 6 -0.326229703520E+03 0.27796E-04 -0.27528E-05 2576 0.163E-02 0.337E-02 RMM: 7 -0.326229706040E+03 -0.25200E-05 -0.15519E-05 2498 0.123E-02 1054 T= 6416. E= 0.67458767E+03 F= 0.63003928E+03 E0= 0.65867368E+03 EK= 0.52245E+02 SP= -.78E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326024794950E+03 0.20491E+00 -0.12385E-01 7552 0.233E+01 0.182E-01 RMM: 2 -0.326038785600E+03 -0.13991E-01 -0.11131E-01 4790 0.826E-01 0.792E-01 RMM: 3 -0.326034558701E+03 0.42269E-02 -0.13630E-02 5875 0.224E-01 0.159E-01 RMM: 4 -0.326034260663E+03 0.29804E-03 -0.68199E-04 4759 0.621E-02 0.104E-01 RMM: 5 -0.326034207834E+03 0.52829E-04 -0.10838E-04 3670 0.289E-02 0.763E-02 RMM: 6 -0.326034173331E+03 0.34504E-04 -0.30540E-05 2724 0.172E-02 0.322E-02 RMM: 7 -0.326034173556E+03 -0.22526E-06 -0.14896E-05 2493 0.121E-02 1055 T= 6420. E= 0.67458899E+03 F= 0.63023482E+03 E0= 0.65889010E+03 EK= 0.52285E+02 SP= -.80E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326032843040E+03 0.13303E-02 -0.12717E-01 7656 0.234E+01 0.183E-01 RMM: 2 -0.326048114560E+03 -0.15272E-01 -0.11972E-01 4754 0.854E-01 0.825E-01 RMM: 3 -0.326043446703E+03 0.46679E-02 -0.14912E-02 5872 0.234E-01 0.172E-01 RMM: 4 -0.326043081207E+03 0.36550E-03 -0.72992E-04 4831 0.629E-02 0.877E-02 RMM: 5 -0.326043042330E+03 0.38877E-04 -0.10899E-04 3844 0.286E-02 0.718E-02 RMM: 6 -0.326043013121E+03 0.29210E-04 -0.28372E-05 2583 0.164E-02 0.348E-02 RMM: 7 -0.326043012807E+03 0.31372E-06 -0.14887E-05 2494 0.122E-02 1056 T= 6451. E= 0.67458788E+03 F= 0.63022598E+03 E0= 0.65890624E+03 EK= 0.52530E+02 SP= -.83E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326234122519E+03 -0.19111E+00 -0.13165E-01 7760 0.236E+01 0.180E-01 RMM: 2 -0.326249542121E+03 -0.15420E-01 -0.12314E-01 4724 0.872E-01 0.808E-01 RMM: 3 -0.326245035341E+03 0.45068E-02 -0.15046E-02 5903 0.237E-01 0.170E-01 RMM: 4 -0.326244682392E+03 0.35295E-03 -0.72276E-04 4858 0.633E-02 0.898E-02 RMM: 5 -0.326244645474E+03 0.36917E-04 -0.11065E-04 3737 0.294E-02 0.756E-02 RMM: 6 -0.326244611250E+03 0.34225E-04 -0.30080E-05 2669 0.171E-02 0.336E-02 RMM: 7 -0.326244611033E+03 0.21710E-06 -0.16004E-05 2489 0.126E-02 1057 T= 6505. E= 0.67458578E+03 F= 0.63002438E+03 E0= 0.65873444E+03 EK= 0.52971E+02 SP= -.85E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326598142481E+03 -0.35353E+00 -0.12477E-01 7776 0.238E+01 0.176E-01 RMM: 2 -0.326611722722E+03 -0.13580E-01 -0.10570E-01 4772 0.804E-01 0.796E-01 RMM: 3 -0.326607394605E+03 0.43281E-02 -0.12876E-02 5800 0.224E-01 0.168E-01 RMM: 4 -0.326607098638E+03 0.29597E-03 -0.67170E-04 4732 0.608E-02 0.915E-02 RMM: 5 -0.326607049592E+03 0.49046E-04 -0.99838E-05 3681 0.281E-02 0.687E-02 RMM: 6 -0.326607023560E+03 0.26032E-04 -0.27171E-05 2579 0.159E-02 0.356E-02 RMM: 7 -0.326607022827E+03 0.73292E-06 -0.15204E-05 2493 0.125E-02 1058 T= 6579. E= 0.67458176E+03 F= 0.62966197E+03 E0= 0.65840727E+03 EK= 0.53573E+02 SP= -.88E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327073370926E+03 -0.46635E+00 -0.12542E-01 7632 0.241E+01 0.175E-01 RMM: 2 -0.327085792799E+03 -0.12422E-01 -0.97722E-02 4790 0.777E-01 0.764E-01 RMM: 3 -0.327081820053E+03 0.39727E-02 -0.11957E-02 5777 0.219E-01 0.158E-01 RMM: 4 -0.327081579436E+03 0.24062E-03 -0.61937E-04 4782 0.575E-02 0.966E-02 RMM: 5 -0.327081529679E+03 0.49758E-04 -0.95977E-05 3645 0.278E-02 0.755E-02 RMM: 6 -0.327081495513E+03 0.34166E-04 -0.29242E-05 2664 0.168E-02 0.354E-02 RMM: 7 -0.327081493141E+03 0.23721E-05 -0.19933E-05 2499 0.141E-02 1059 T= 6666. E= 0.67457828E+03 F= 0.62918750E+03 E0= 0.65797417E+03 EK= 0.54288E+02 SP= -.90E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327611672503E+03 -0.53018E+00 -0.12756E-01 7600 0.243E+01 0.168E-01 RMM: 2 -0.327623923599E+03 -0.12251E-01 -0.98569E-02 4806 0.776E-01 0.737E-01 RMM: 3 -0.327620203491E+03 0.37201E-02 -0.11734E-02 5854 0.211E-01 0.155E-01 RMM: 4 -0.327619950413E+03 0.25308E-03 -0.59391E-04 4665 0.595E-02 0.100E-01 RMM: 5 -0.327619887663E+03 0.62750E-04 -0.92386E-05 3587 0.282E-02 0.648E-02 RMM: 6 -0.327619866046E+03 0.21617E-04 -0.25528E-05 2560 0.154E-02 0.365E-02 RMM: 7 -0.327619865818E+03 0.22833E-06 -0.17085E-05 2495 0.132E-02 1060 T= 6762. E= 0.67457458E+03 F= 0.62864912E+03 E0= 0.65748350E+03 EK= 0.55063E+02 SP= -.92E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328166280954E+03 -0.54641E+00 -0.12847E-01 7608 0.246E+01 0.168E-01 RMM: 2 -0.328178000228E+03 -0.11719E-01 -0.99843E-02 4774 0.789E-01 0.671E-01 RMM: 3 -0.328174913113E+03 0.30871E-02 -0.12186E-02 5855 0.217E-01 0.125E-01 RMM: 4 -0.328174746451E+03 0.16666E-03 -0.57780E-04 4762 0.565E-02 0.118E-01 RMM: 5 -0.328174661062E+03 0.85389E-04 -0.90469E-05 3569 0.282E-02 0.679E-02 RMM: 6 -0.328174635508E+03 0.25554E-04 -0.27692E-05 2571 0.159E-02 0.359E-02 RMM: 7 -0.328174631307E+03 0.42012E-05 -0.23420E-05 2507 0.152E-02 1061 T= 6858. E= 0.67457193E+03 F= 0.62809436E+03 E0= 0.65698250E+03 EK= 0.55848E+02 SP= -.95E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328699461820E+03 -0.52483E+00 -0.13135E-01 7560 0.248E+01 0.166E-01 RMM: 2 -0.328711350906E+03 -0.11889E-01 -0.10130E-01 4774 0.796E-01 0.675E-01 RMM: 3 -0.328708328967E+03 0.30219E-02 -0.12176E-02 5939 0.210E-01 0.150E-01 RMM: 4 -0.328708082715E+03 0.24625E-03 -0.61166E-04 4655 0.630E-02 0.112E-01 RMM: 5 -0.328708005025E+03 0.77689E-04 -0.99018E-05 3614 0.297E-02 0.666E-02 RMM: 6 -0.328707982071E+03 0.22955E-04 -0.27021E-05 2588 0.158E-02 0.359E-02 RMM: 7 -0.328707981725E+03 0.34585E-06 -0.20916E-05 2504 0.143E-02 1062 T= 6951. E= 0.67456983E+03 F= 0.62756101E+03 E0= 0.65650740E+03 EK= 0.56601E+02 SP= -.97E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329182349838E+03 -0.47437E+00 -0.13492E-01 7560 0.250E+01 0.179E-01 RMM: 2 -0.329195708344E+03 -0.13359E-01 -0.11099E-01 4786 0.821E-01 0.735E-01 RMM: 3 -0.329192029047E+03 0.36793E-02 -0.13213E-02 5875 0.219E-01 0.145E-01 RMM: 4 -0.329191793675E+03 0.23537E-03 -0.66788E-04 4710 0.625E-02 0.121E-01 RMM: 5 -0.329191701335E+03 0.92340E-04 -0.10826E-04 3697 0.308E-02 0.599E-02 RMM: 6 -0.329191683463E+03 0.17872E-04 -0.25991E-05 2554 0.150E-02 1063 T= 7035. E= 0.67456903E+03 F= 0.62707731E+03 E0= 0.65608455E+03 EK= 0.57290E+02 SP= -.99E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329598021830E+03 -0.40632E+00 -0.13499E-01 7528 0.252E+01 0.205E-01 RMM: 2 -0.329614395702E+03 -0.16374E-01 -0.95910E-02 4894 0.764E-01 0.111E+00 RMM: 3 -0.329606186231E+03 0.82095E-02 -0.11275E-02 5484 0.226E-01 0.184E-01 RMM: 4 -0.329605942284E+03 0.24395E-03 -0.79745E-04 4774 0.608E-02 0.945E-02 RMM: 5 -0.329605877135E+03 0.65149E-04 -0.11036E-04 3859 0.293E-02 0.621E-02 RMM: 6 -0.329605861054E+03 0.16081E-04 -0.27651E-05 2572 0.152E-02 1064 T= 7109. E= 0.67456922E+03 F= 0.62666313E+03 E0= 0.65573070E+03 EK= 0.57891E+02 SP= -.10E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329926401743E+03 -0.32052E+00 -0.13762E-01 7376 0.253E+01 0.287E-01 RMM: 2 -0.329953598693E+03 -0.27197E-01 -0.96858E-02 4947 0.786E-01 0.169E+00 RMM: 3 -0.329933989141E+03 0.19610E-01 -0.13649E-02 5376 0.278E-01 0.245E-01 RMM: 4 -0.329933593222E+03 0.39592E-03 -0.14039E-03 4792 0.770E-02 0.981E-02 RMM: 5 -0.329933568985E+03 0.24237E-04 -0.16633E-04 3931 0.322E-02 0.991E-02 RMM: 6 -0.329933507533E+03 0.61452E-04 -0.38388E-05 2953 0.187E-02 0.417E-02 RMM: 7 -0.329933513292E+03 -0.57590E-05 -0.24685E-05 2534 0.159E-02 1065 T= 7169. E= 0.67456857E+03 F= 0.62633548E+03 E0= 0.65545989E+03 EK= 0.58380E+02 SP= -.10E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330145184857E+03 -0.21168E+00 -0.13954E-01 7488 0.254E+01 0.272E-01 RMM: 2 -0.330166602749E+03 -0.21418E-01 -0.10978E-01 4904 0.826E-01 0.135E+00 RMM: 3 -0.330154194703E+03 0.12408E-01 -0.14084E-02 5421 0.266E-01 0.301E-01 RMM: 4 -0.330153599822E+03 0.59488E-03 -0.15060E-03 4889 0.843E-02 0.113E-01 RMM: 5 -0.330153598382E+03 0.14399E-05 -0.21993E-04 3897 0.368E-02 0.124E-01 RMM: 6 -0.330153493644E+03 0.10474E-03 -0.54614E-05 3268 0.217E-02 0.359E-02 RMM: 7 -0.330153491366E+03 0.22777E-05 -0.18875E-05 2507 0.134E-02 1066 T= 7212. E= 0.67456734E+03 F= 0.62611550E+03 E0= 0.65528967E+03 EK= 0.58734E+02 SP= -.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330224950163E+03 -0.71457E-01 -0.14578E-01 7608 0.254E+01 0.218E-01 RMM: 2 -0.330246501337E+03 -0.21551E-01 -0.12481E-01 4854 0.865E-01 0.125E+00 RMM: 3 -0.330235651758E+03 0.10850E-01 -0.14847E-02 5591 0.246E-01 0.180E-01 RMM: 4 -0.330235335316E+03 0.31644E-03 -0.98360E-04 4808 0.686E-02 0.104E-01 RMM: 5 -0.330235284616E+03 0.50700E-04 -0.14417E-04 3975 0.310E-02 0.820E-02 RMM: 6 -0.330235243142E+03 0.41474E-04 -0.33159E-05 2783 0.171E-02 0.425E-02 RMM: 7 -0.330235242928E+03 0.21387E-06 -0.23584E-05 2521 0.153E-02 1067 T= 7235. E= 0.67456575E+03 F= 0.62603375E+03 E0= 0.65524728E+03 EK= 0.58920E+02 SP= -.10E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330129058273E+03 0.10618E+00 -0.13679E-01 7584 0.254E+01 0.186E-01 RMM: 2 -0.330144460796E+03 -0.15403E-01 -0.11680E-01 4776 0.835E-01 0.877E-01 RMM: 3 -0.330139271253E+03 0.51895E-02 -0.14350E-02 5858 0.229E-01 0.183E-01 RMM: 4 -0.330138899853E+03 0.37140E-03 -0.77302E-04 4779 0.641E-02 0.973E-02 RMM: 5 -0.330138845799E+03 0.54053E-04 -0.12078E-04 3828 0.298E-02 0.703E-02 RMM: 6 -0.330138819008E+03 0.26792E-04 -0.27028E-05 2576 0.154E-02 0.403E-02 RMM: 7 -0.330138817926E+03 0.10817E-05 -0.18726E-05 2502 0.138E-02 1068 T= 7232. E= 0.67456361E+03 F= 0.62613017E+03 E0= 0.65537142E+03 EK= 0.58896E+02 SP= -.10E+02 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329807578524E+03 0.33124E+00 -0.14520E-01 7728 0.253E+01 0.171E-01 RMM: 2 -0.329822757176E+03 -0.15179E-01 -0.12788E-01 4787 0.856E-01 0.752E-01 RMM: 3 -0.329818833766E+03 0.39234E-02 -0.15109E-02 6061 0.221E-01 0.158E-01 RMM: 4 -0.329818458441E+03 0.37532E-03 -0.71719E-04 4711 0.661E-02 0.113E-01 RMM: 5 -0.329818386068E+03 0.72373E-04 -0.11408E-04 3720 0.304E-02 0.722E-02 RMM: 6 -0.329818357902E+03 0.28166E-04 -0.26950E-05 2594 0.156E-02 0.391E-02 RMM: 7 -0.329818356043E+03 0.18595E-05 -0.18833E-05 2500 0.137E-02 1069 T= 7198. E= 0.67456201E+03 F= 0.62645063E+03 E0= 0.65570630E+03 EK= 0.58617E+02 SP= -.11E+02 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329220060701E+03 0.59830E+00 -0.14449E-01 7616 0.252E+01 0.167E-01 RMM: 2 -0.329233219567E+03 -0.13159E-01 -0.10893E-01 4796 0.792E-01 0.727E-01 RMM: 3 -0.329229487214E+03 0.37324E-02 -0.12937E-02 6032 0.215E-01 0.153E-01 RMM: 4 -0.329229190614E+03 0.29660E-03 -0.59643E-04 4713 0.581E-02 0.101E-01 RMM: 5 -0.329229128166E+03 0.62449E-04 -0.95967E-05 3625 0.278E-02 0.669E-02 RMM: 6 -0.329229106087E+03 0.22079E-04 -0.26458E-05 2576 0.155E-02 0.419E-02 RMM: 7 -0.329229107271E+03 -0.11845E-05 -0.24495E-05 2550 0.152E-02 1070 T= 7127. E= 0.67456092E+03 F= 0.62703988E+03 E0= 0.65629796E+03 EK= 0.58040E+02 SP= -.11E+02 SK= 0.56E-07 N E dE d eps ncg rms rms(c) DAV: 1 -0.328322821080E+03 0.90629E+00 -0.14348E-01 7808 0.250E+01 0.171E-01 RMM: 2 -0.328337644756E+03 -0.14824E-01 -0.12666E-01 4731 0.852E-01 0.721E-01 RMM: 3 -0.328333992260E+03 0.36525E-02 -0.15221E-02 6066 0.225E-01 0.153E-01 RMM: 4 -0.328333637040E+03 0.35522E-03 -0.67703E-04 4768 0.624E-02 0.109E-01 RMM: 5 -0.328333571184E+03 0.65856E-04 -0.10859E-04 3692 0.294E-02 0.706E-02 RMM: 6 -0.328333543842E+03 0.27342E-04 -0.28241E-05 2610 0.161E-02 0.358E-02 RMM: 7 -0.328333545467E+03 -0.16251E-05 -0.16664E-05 2497 0.129E-02 1071 T= 7016. E= 0.67456128E+03 F= 0.62793544E+03 E0= 0.65718477E+03 EK= 0.57132E+02 SP= -.11E+02 SK= 0.95E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327101365630E+03 0.12322E+01 -0.13719E-01 7848 0.247E+01 0.159E-01 RMM: 2 -0.327114970050E+03 -0.13604E-01 -0.11544E-01 4782 0.807E-01 0.692E-01 RMM: 3 -0.327111484353E+03 0.34857E-02 -0.13512E-02 6033 0.216E-01 0.155E-01 RMM: 4 -0.327111157420E+03 0.32693E-03 -0.59397E-04 4744 0.576E-02 0.901E-02 RMM: 5 -0.327111110090E+03 0.47330E-04 -0.89323E-05 3617 0.267E-02 0.664E-02 RMM: 6 -0.327111086192E+03 0.23897E-04 -0.26906E-05 2586 0.158E-02 0.370E-02 RMM: 7 -0.327111085489E+03 0.70362E-06 -0.27234E-05 2556 0.157E-02 1072 T= 6862. E= 0.67456281E+03 F= 0.62915790E+03 E0= 0.65839090E+03 EK= 0.55878E+02 SP= -.10E+02 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325553990698E+03 0.15571E+01 -0.13239E-01 7808 0.244E+01 0.155E-01 RMM: 2 -0.325567523541E+03 -0.13533E-01 -0.12141E-01 4748 0.819E-01 0.614E-01 RMM: 3 -0.325564732472E+03 0.27911E-02 -0.14489E-02 6159 0.216E-01 0.134E-01 RMM: 4 -0.325564420710E+03 0.31176E-03 -0.59033E-04 4698 0.588E-02 0.108E-01 RMM: 5 -0.325564352358E+03 0.68352E-04 -0.92514E-05 3544 0.274E-02 0.674E-02 RMM: 6 -0.325564326640E+03 0.25719E-04 -0.27368E-05 2584 0.160E-02 0.314E-02 RMM: 7 -0.325564328037E+03 -0.13978E-05 -0.18966E-05 2500 0.136E-02 1073 T= 6666. E= 0.67456660E+03 F= 0.63070466E+03 E0= 0.65991644E+03 EK= 0.54288E+02 SP= -.10E+02 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323717870234E+03 0.18465E+01 -0.12615E-01 7976 0.240E+01 0.152E-01 RMM: 2 -0.323730222734E+03 -0.12352E-01 -0.10577E-01 4923 0.750E-01 0.652E-01 RMM: 3 -0.323727001874E+03 0.32209E-02 -0.11593E-02 6217 0.198E-01 0.146E-01 RMM: 4 -0.323726716107E+03 0.28577E-03 -0.49535E-04 4588 0.538E-02 0.919E-02 RMM: 5 -0.323726663087E+03 0.53019E-04 -0.76581E-05 3439 0.249E-02 0.599E-02 RMM: 6 -0.323726644754E+03 0.18333E-04 -0.24593E-05 2562 0.152E-02 1074 T= 6435. E= 0.67457251E+03 F= 0.63254234E+03 E0= 0.66173178E+03 EK= 0.52404E+02 SP= -.10E+02 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321648644892E+03 0.20780E+01 -0.12497E-01 7888 0.235E+01 0.186E-01 RMM: 2 -0.321666848538E+03 -0.18204E-01 -0.12287E-01 4926 0.799E-01 0.102E+00 RMM: 3 -0.321659260634E+03 0.75879E-02 -0.13527E-02 5770 0.225E-01 0.174E-01 RMM: 4 -0.321658919999E+03 0.34064E-03 -0.76642E-04 4848 0.595E-02 0.812E-02 RMM: 5 -0.321658879381E+03 0.40618E-04 -0.10115E-04 3874 0.264E-02 0.606E-02 RMM: 6 -0.321658862990E+03 0.16391E-04 -0.22716E-05 2553 0.140E-02 1075 T= 6176. E= 0.67458055E+03 F= 0.63461013E+03 E0= 0.66377879E+03 EK= 0.50296E+02 SP= -.10E+02 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319441762783E+03 0.22171E+01 -0.11573E-01 7808 0.230E+01 0.273E-01 RMM: 2 -0.319469604756E+03 -0.27842E-01 -0.10651E-01 5008 0.762E-01 0.167E+00 RMM: 3 -0.319450279976E+03 0.19325E-01 -0.13250E-02 5427 0.264E-01 0.263E-01 RMM: 4 -0.319449768632E+03 0.51134E-03 -0.14007E-03 4788 0.773E-02 0.834E-02 RMM: 5 -0.319449750320E+03 0.18312E-04 -0.16586E-04 4120 0.297E-02 1076 T= 5902. E= 0.67459082E+03 F= 0.63681924E+03 E0= 0.66597154E+03 EK= 0.48063E+02 SP= -.10E+02 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317203485637E+03 0.22463E+01 -0.11296E-01 7864 0.225E+01 0.185E-01 RMM: 2 -0.317219185271E+03 -0.15700E-01 -0.11089E-01 5060 0.750E-01 0.901E-01 RMM: 3 -0.317213121570E+03 0.60637E-02 -0.11514E-02 5643 0.218E-01 0.233E-01 RMM: 4 -0.317212695318E+03 0.42625E-03 -0.84402E-04 4761 0.619E-02 0.835E-02 RMM: 5 -0.317212655085E+03 0.40233E-04 -0.10914E-04 3896 0.263E-02 0.731E-02 RMM: 6 -0.317212630444E+03 0.24641E-04 -0.23904E-05 2561 0.146E-02 0.521E-02 RMM: 7 -0.317212642681E+03 -0.12237E-04 -0.31996E-05 2686 0.162E-02 1077 T= 5627. E= 0.67460217E+03 F= 0.63905635E+03 E0= 0.66819774E+03 EK= 0.45824E+02 SP= -.10E+02 SK= 0.14E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.315071312353E+03 0.21413E+01 -0.10901E-01 7632 0.220E+01 0.257E-01 RMM: 2 -0.315089779866E+03 -0.18468E-01 -0.11991E-01 4810 0.808E-01 0.112E+00 RMM: 3 -0.315081152234E+03 0.86276E-02 -0.14233E-02 5693 0.241E-01 0.224E-01 RMM: 4 -0.315080815191E+03 0.33704E-03 -0.11571E-03 4741 0.747E-02 0.161E-01 RMM: 5 -0.315080728227E+03 0.86964E-04 -0.23374E-04 3892 0.396E-02 0.118E-01 RMM: 6 -0.315080638895E+03 0.89332E-04 -0.77427E-05 3503 0.254E-02 0.273E-02 RMM: 7 -0.315080650678E+03 -0.11783E-04 -0.19397E-05 2542 0.138E-02 1078 T= 5369. E= 0.67461284E+03 F= 0.64118834E+03 E0= 0.67032461E+03 EK= 0.43719E+02 SP= -.10E+02 SK= 0.34E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.313181010133E+03 0.18996E+01 -0.10649E-01 7936 0.215E+01 0.178E-01 RMM: 2 -0.313197067957E+03 -0.16058E-01 -0.12036E-01 4995 0.782E-01 0.873E-01 RMM: 3 -0.313191464301E+03 0.56037E-02 -0.13078E-02 5944 0.214E-01 0.162E-01 RMM: 4 -0.313191136062E+03 0.32824E-03 -0.70773E-04 4736 0.588E-02 0.112E-01 RMM: 5 -0.313191044935E+03 0.91127E-04 -0.11499E-04 3781 0.286E-02 0.587E-02 RMM: 6 -0.313191025260E+03 0.19675E-04 -0.27580E-05 2609 0.152E-02 1079 T= 5144. E= 0.67462311E+03 F= 0.64307796E+03 E0= 0.67221628E+03 EK= 0.41890E+02 SP= -.10E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.311660667683E+03 0.15304E+01 -0.11014E-01 7592 0.211E+01 0.207E-01 RMM: 2 -0.311682656744E+03 -0.21989E-01 -0.15066E-01 4776 0.881E-01 0.110E+00 RMM: 3 -0.311673867052E+03 0.87897E-02 -0.17254E-02 5779 0.247E-01 0.240E-01 RMM: 4 -0.311673237819E+03 0.62923E-03 -0.10581E-03 4918 0.696E-02 0.758E-02 RMM: 5 -0.311673217293E+03 0.20526E-04 -0.15541E-04 4085 0.296E-02 0.777E-02 RMM: 6 -0.311673184286E+03 0.33007E-04 -0.34440E-05 2843 0.171E-02 0.546E-02 RMM: 7 -0.311673214562E+03 -0.30276E-04 -0.47179E-05 3167 0.194E-02 0.909E-02 RMM: 8 -0.311673163976E+03 0.50586E-04 -0.55040E-05 3284 0.197E-02 0.380E-02 RMM: 9 -0.311673157719E+03 0.62568E-05 -0.15923E-05 2498 0.119E-02 1080 T= 4970. E= 0.67463134E+03 F= 0.64459583E+03 E0= 0.67374056E+03 EK= 0.40469E+02 SP= -.10E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.310627419592E+03 0.10457E+01 -0.10024E-01 7888 0.208E+01 0.254E-01 RMM: 2 -0.310649906916E+03 -0.22487E-01 -0.11659E-01 4802 0.794E-01 0.138E+00 RMM: 3 -0.310636720280E+03 0.13187E-01 -0.13546E-02 5609 0.241E-01 0.155E-01 RMM: 4 -0.310636713837E+03 0.64430E-05 -0.13255E-03 4762 0.811E-02 0.207E-01 RMM: 5 -0.310636507442E+03 0.20639E-03 -0.24903E-04 3904 0.397E-02 0.121E-01 RMM: 6 -0.310636407276E+03 0.10017E-03 -0.65254E-05 3401 0.231E-02 0.263E-02 RMM: 7 -0.310636410831E+03 -0.35552E-05 -0.18065E-05 2520 0.131E-02 1081 T= 4859. E= 0.67463698E+03 F= 0.64563258E+03 E0= 0.67478882E+03 EK= 0.39569E+02 SP= -.11E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.310146420877E+03 0.48999E+00 -0.94265E-02 7744 0.207E+01 0.185E-01 RMM: 2 -0.310161163638E+03 -0.14743E-01 -0.10137E-01 4920 0.739E-01 0.928E-01 RMM: 3 -0.310155193698E+03 0.59699E-02 -0.11719E-02 5804 0.212E-01 0.204E-01 RMM: 4 -0.310154781704E+03 0.41199E-03 -0.71789E-04 4901 0.575E-02 0.624E-02 RMM: 5 -0.310154765102E+03 0.16602E-04 -0.92921E-05 3806 0.239E-02 1082 T= 4822. E= 0.67464001E+03 F= 0.64611422E+03 E0= 0.67528492E+03 EK= 0.39266E+02 SP= -.11E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310251300521E+03 -0.96519E-01 -0.92379E-02 7856 0.207E+01 0.115E-01 RMM: 2 -0.310261554320E+03 -0.10254E-01 -0.92876E-02 4947 0.684E-01 0.497E-01 RMM: 3 -0.310259532501E+03 0.20218E-02 -0.96315E-03 6296 0.174E-01 0.107E-01 RMM: 4 -0.310259328919E+03 0.20358E-03 -0.36395E-04 4453 0.457E-02 0.830E-02 RMM: 5 -0.310259285407E+03 0.43512E-04 -0.48144E-05 3062 0.212E-02 0.671E-02 RMM: 6 -0.310259307598E+03 -0.22191E-04 -0.63007E-05 3455 0.210E-02 0.990E-02 RMM: 7 -0.310259276582E+03 0.31016E-04 -0.11622E-04 3893 0.249E-02 0.867E-02 RMM: 8 -0.310259226935E+03 0.49647E-04 -0.36287E-05 2916 0.169E-02 0.193E-02 RMM: 9 -0.310259231720E+03 -0.47849E-05 -0.12507E-05 2467 0.110E-02 1083 T= 4862. E= 0.67463920E+03 F= 0.64600976E+03 E0= 0.67519682E+03 EK= 0.39593E+02 SP= -.11E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310927684326E+03 -0.66846E+00 -0.94728E-02 7784 0.209E+01 0.209E-01 RMM: 2 -0.310938944134E+03 -0.11260E-01 -0.98928E-02 4790 0.734E-01 0.670E-01 RMM: 3 -0.310935777341E+03 0.31668E-02 -0.11493E-02 6029 0.197E-01 0.153E-01 RMM: 4 -0.310935755567E+03 0.21774E-04 -0.80811E-04 4662 0.680E-02 0.227E-01 RMM: 5 -0.310935452742E+03 0.30283E-03 -0.22306E-04 3885 0.397E-02 0.914E-02 RMM: 6 -0.310935401127E+03 0.51614E-04 -0.51582E-05 3215 0.216E-02 0.301E-02 RMM: 7 -0.310935414740E+03 -0.13613E-04 -0.20515E-05 2532 0.140E-02 1084 T= 4978. E= 0.67463488E+03 F= 0.64533357E+03 E0= 0.67453793E+03 EK= 0.40540E+02 SP= -.12E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312117302245E+03 -0.11819E+01 -0.92666E-02 7640 0.213E+01 0.135E-01 RMM: 2 -0.312127946505E+03 -0.10644E-01 -0.91999E-02 4995 0.699E-01 0.600E-01 RMM: 3 -0.312125322032E+03 0.26245E-02 -0.10206E-02 6128 0.176E-01 0.138E-01 RMM: 4 -0.312125017790E+03 0.30424E-03 -0.41716E-04 4434 0.492E-02 0.735E-02 RMM: 5 -0.312124972832E+03 0.44958E-04 -0.60212E-05 3364 0.223E-02 0.526E-02 RMM: 6 -0.312124963577E+03 0.92551E-05 -0.19402E-05 2515 0.130E-02 1085 T= 5164. E= 0.67462817E+03 F= 0.64414403E+03 E0= 0.67336555E+03 EK= 0.42052E+02 SP= -.12E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313730023467E+03 -0.16051E+01 -0.95121E-02 7728 0.218E+01 0.215E-01 RMM: 2 -0.313744976065E+03 -0.14953E-01 -0.78485E-02 5023 0.657E-01 0.112E+00 RMM: 3 -0.313736355505E+03 0.86206E-02 -0.95137E-03 5477 0.213E-01 0.194E-01 RMM: 4 -0.313736087635E+03 0.26787E-03 -0.87526E-04 5020 0.552E-02 0.802E-02 RMM: 5 -0.313736042858E+03 0.44777E-04 -0.89455E-05 3715 0.253E-02 0.671E-02 RMM: 6 -0.313736018740E+03 0.24118E-04 -0.23393E-05 2567 0.145E-02 0.484E-02 RMM: 7 -0.313736029726E+03 -0.10986E-04 -0.25996E-05 2594 0.152E-02 1086 T= 5408. E= 0.67461938E+03 F= 0.64253296E+03 E0= 0.67177245E+03 EK= 0.44039E+02 SP= -.12E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315649861284E+03 -0.19138E+01 -0.98343E-02 7800 0.224E+01 0.231E-01 RMM: 2 -0.315664289968E+03 -0.14429E-01 -0.82229E-02 5030 0.693E-01 0.109E+00 RMM: 3 -0.315656433257E+03 0.78567E-02 -0.96614E-03 5548 0.210E-01 0.246E-01 RMM: 4 -0.315656023876E+03 0.40938E-03 -0.10190E-03 4625 0.701E-02 0.116E-01 RMM: 5 -0.315655984791E+03 0.39084E-04 -0.18193E-04 3878 0.351E-02 0.101E-01 RMM: 6 -0.315655918174E+03 0.66617E-04 -0.43678E-05 3122 0.199E-02 0.312E-02 RMM: 7 -0.315655919913E+03 -0.17391E-05 -0.17720E-05 2506 0.128E-02 1087 T= 5696. E= 0.67460961E+03 F= 0.64061307E+03 E0= 0.66986933E+03 EK= 0.46388E+02 SP= -.13E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317754006378E+03 -0.20981E+01 -0.10475E-01 7544 0.231E+01 0.213E-01 RMM: 2 -0.317769951745E+03 -0.15945E-01 -0.88970E-02 4974 0.710E-01 0.113E+00 RMM: 3 -0.317761312894E+03 0.86389E-02 -0.10506E-02 5491 0.218E-01 0.180E-01 RMM: 4 -0.317761088217E+03 0.22468E-03 -0.89499E-04 5003 0.577E-02 0.982E-02 RMM: 5 -0.317761014249E+03 0.73968E-04 -0.11289E-04 3793 0.287E-02 0.672E-02 RMM: 6 -0.317760988064E+03 0.26185E-04 -0.28041E-05 2632 0.157E-02 0.450E-02 RMM: 7 -0.317760985421E+03 0.26426E-05 -0.18739E-05 2514 0.132E-02 1088 T= 6014. E= 0.67459977E+03 F= 0.63850800E+03 E0= 0.66778031E+03 EK= 0.48974E+02 SP= -.13E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319918773102E+03 -0.21578E+01 -0.11223E-01 7784 0.237E+01 0.169E-01 RMM: 2 -0.319930298061E+03 -0.11525E-01 -0.90524E-02 4899 0.726E-01 0.746E-01 RMM: 3 -0.319926581402E+03 0.37167E-02 -0.10664E-02 5858 0.195E-01 0.165E-01 RMM: 4 -0.319926285435E+03 0.29597E-03 -0.59270E-04 4682 0.542E-02 0.919E-02 RMM: 5 -0.319926233839E+03 0.51596E-04 -0.96153E-05 3665 0.274E-02 0.661E-02 RMM: 6 -0.319926211254E+03 0.22585E-04 -0.23364E-05 2552 0.144E-02 0.395E-02 RMM: 7 -0.319926209263E+03 0.19909E-05 -0.15647E-05 2492 0.122E-02 1089 T= 6344. E= 0.67459027E+03 F= 0.63634278E+03 E0= 0.66562815E+03 EK= 0.51666E+02 SP= -.14E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322025419979E+03 -0.20992E+01 -0.11595E-01 7688 0.244E+01 0.158E-01 RMM: 2 -0.322036282071E+03 -0.10862E-01 -0.92066E-02 4872 0.730E-01 0.660E-01 RMM: 3 -0.322033453936E+03 0.28281E-02 -0.11058E-02 5977 0.190E-01 0.133E-01 RMM: 4 -0.322033231140E+03 0.22280E-03 -0.54701E-04 4563 0.553E-02 0.127E-01 RMM: 5 -0.322033118558E+03 0.11258E-03 -0.10510E-04 3683 0.294E-02 0.560E-02 RMM: 6 -0.322033102101E+03 0.16456E-04 -0.23801E-05 2551 0.141E-02 1090 T= 6672. E= 0.67458161E+03 F= 0.63423589E+03 E0= 0.66352946E+03 EK= 0.54334E+02 SP= -.15E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323964396142E+03 -0.19313E+01 -0.12229E-01 7680 0.250E+01 0.166E-01 RMM: 2 -0.323977662438E+03 -0.13266E-01 -0.97598E-02 4855 0.751E-01 0.836E-01 RMM: 3 -0.323973017625E+03 0.46448E-02 -0.11792E-02 5820 0.203E-01 0.164E-01 RMM: 4 -0.323972695036E+03 0.32259E-03 -0.61684E-04 4748 0.556E-02 0.866E-02 RMM: 5 -0.323972639931E+03 0.55106E-04 -0.94748E-05 3675 0.273E-02 0.600E-02 RMM: 6 -0.323972624082E+03 0.15849E-04 -0.23992E-05 2542 0.142E-02 1091 T= 6982. E= 0.67457385E+03 F= 0.63229637E+03 E0= 0.66158972E+03 EK= 0.56857E+02 SP= -.15E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325640423330E+03 -0.16678E+01 -0.12729E-01 7400 0.255E+01 0.236E-01 RMM: 2 -0.325661778712E+03 -0.21355E-01 -0.99860E-02 4830 0.772E-01 0.139E+00 RMM: 3 -0.325648827670E+03 0.12951E-01 -0.13055E-02 5431 0.249E-01 0.230E-01 RMM: 4 -0.325648439612E+03 0.38806E-03 -0.12028E-03 4729 0.711E-02 0.957E-02 RMM: 5 -0.325648382937E+03 0.56675E-04 -0.15886E-04 3952 0.320E-02 0.738E-02 RMM: 6 -0.325648352390E+03 0.30547E-04 -0.29823E-05 2571 0.159E-02 0.490E-02 RMM: 7 -0.325648349499E+03 0.28912E-05 -0.24501E-05 2528 0.157E-02 1092 T= 7260. E= 0.67456712E+03 F= 0.63062064E+03 E0= 0.65990239E+03 EK= 0.59122E+02 SP= -.16E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326971628464E+03 -0.13233E+01 -0.13991E-01 7648 0.260E+01 0.220E-01 RMM: 2 -0.326989110539E+03 -0.17482E-01 -0.11350E-01 4742 0.814E-01 0.107E+00 RMM: 3 -0.326981337214E+03 0.77733E-02 -0.14169E-02 5589 0.243E-01 0.238E-01 RMM: 4 -0.326980893274E+03 0.44394E-03 -0.11316E-03 4767 0.739E-02 0.107E-01 RMM: 5 -0.326980850469E+03 0.42805E-04 -0.17733E-04 3863 0.347E-02 0.928E-02 RMM: 6 -0.326980795684E+03 0.54785E-04 -0.40755E-05 3010 0.188E-02 0.336E-02 RMM: 7 -0.326980795468E+03 0.21613E-06 -0.16946E-05 2501 0.131E-02 1093 T= 7495. E= 0.67456212E+03 F= 0.62928819E+03 E0= 0.65854331E+03 EK= 0.61034E+02 SP= -.16E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327901405815E+03 -0.92061E+00 -0.14352E-01 7784 0.263E+01 0.171E-01 RMM: 2 -0.327917568304E+03 -0.16162E-01 -0.11935E-01 4779 0.809E-01 0.913E-01 RMM: 3 -0.327911895852E+03 0.56725E-02 -0.14120E-02 5873 0.221E-01 0.155E-01 RMM: 4 -0.327911579339E+03 0.31651E-03 -0.71098E-04 4728 0.603E-02 0.107E-01 RMM: 5 -0.327911500198E+03 0.79142E-04 -0.11268E-04 3752 0.307E-02 0.594E-02 RMM: 6 -0.327911483496E+03 0.16702E-04 -0.26890E-05 2555 0.148E-02 1094 T= 7677. E= 0.67455926E+03 F= 0.62835751E+03 E0= 0.65756689E+03 EK= 0.62519E+02 SP= -.17E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328396220830E+03 -0.48472E+00 -0.15098E-01 7632 0.265E+01 0.188E-01 RMM: 2 -0.328415815047E+03 -0.19594E-01 -0.13692E-01 4741 0.870E-01 0.102E+00 RMM: 3 -0.328408347299E+03 0.74677E-02 -0.16449E-02 5788 0.242E-01 0.182E-01 RMM: 4 -0.328407919884E+03 0.42742E-03 -0.84719E-04 4943 0.629E-02 0.824E-02 RMM: 5 -0.328407880856E+03 0.39028E-04 -0.11222E-04 3913 0.291E-02 0.704E-02 RMM: 6 -0.328407857368E+03 0.23487E-04 -0.24877E-05 2551 0.147E-02 0.563E-02 RMM: 7 -0.328407864036E+03 -0.66677E-05 -0.37078E-05 2912 0.176E-02 1095 T= 7801. E= 0.67455820E+03 F= 0.62786113E+03 E0= 0.65700561E+03 EK= 0.63528E+02 SP= -.17E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328455141041E+03 -0.47284E-01 -0.15478E-01 7568 0.267E+01 0.244E-01 RMM: 2 -0.328477664613E+03 -0.22524E-01 -0.14805E-01 4697 0.925E-01 0.120E+00 RMM: 3 -0.328467807352E+03 0.98573E-02 -0.18218E-02 5661 0.269E-01 0.243E-01 RMM: 4 -0.328467318159E+03 0.48919E-03 -0.13542E-03 4898 0.804E-02 0.125E-01 RMM: 5 -0.328467290303E+03 0.27856E-04 -0.21152E-04 3901 0.357E-02 0.116E-01 RMM: 6 -0.328467203540E+03 0.86763E-04 -0.54376E-05 3251 0.213E-02 0.311E-02 RMM: 7 -0.328467202737E+03 0.80317E-06 -0.15587E-05 2503 0.123E-02 1096 T= 7865. E= 0.67455963E+03 F= 0.62780179E+03 E0= 0.65686184E+03 EK= 0.64050E+02 SP= -.18E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328104857756E+03 0.36235E+00 -0.16042E-01 7576 0.267E+01 0.209E-01 RMM: 2 -0.328126515713E+03 -0.21658E-01 -0.14915E-01 4812 0.900E-01 0.111E+00 RMM: 3 -0.328117815131E+03 0.87006E-02 -0.17399E-02 5839 0.249E-01 0.181E-01 RMM: 4 -0.328117372024E+03 0.44311E-03 -0.89876E-04 4866 0.666E-02 0.101E-01 RMM: 5 -0.328117316811E+03 0.55214E-04 -0.13048E-04 3871 0.305E-02 0.797E-02 RMM: 6 -0.328117281756E+03 0.35055E-04 -0.32347E-05 2706 0.168E-02 0.501E-02 RMM: 7 -0.328117283209E+03 -0.14530E-05 -0.30932E-05 2624 0.163E-02 1097 T= 7872. E= 0.67456355E+03 F= 0.62815171E+03 E0= 0.65710965E+03 EK= 0.64103E+02 SP= -.18E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327400860890E+03 0.71642E+00 -0.15581E-01 7696 0.266E+01 0.202E-01 RMM: 2 -0.327420237654E+03 -0.19377E-01 -0.15026E-01 4768 0.901E-01 0.932E-01 RMM: 3 -0.327414058304E+03 0.61793E-02 -0.17804E-02 5965 0.250E-01 0.209E-01 RMM: 4 -0.327413542245E+03 0.51606E-03 -0.91536E-04 4801 0.684E-02 0.881E-02 RMM: 5 -0.327413514805E+03 0.27440E-04 -0.13831E-04 3989 0.304E-02 0.798E-02 RMM: 6 -0.327413478732E+03 0.36073E-04 -0.31640E-05 2796 0.170E-02 0.387E-02 RMM: 7 -0.327413483575E+03 -0.48433E-05 -0.18432E-05 2523 0.136E-02 1098 T= 7827. E= 0.67456904E+03 F= 0.62885551E+03 E0= 0.65769772E+03 EK= 0.63740E+02 SP= -.18E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326416131187E+03 0.99735E+00 -0.16342E-01 7568 0.264E+01 0.200E-01 RMM: 2 -0.326438244934E+03 -0.22114E-01 -0.18316E-01 4822 0.982E-01 0.897E-01 RMM: 3 -0.326432253982E+03 0.59910E-02 -0.20601E-02 6100 0.253E-01 0.190E-01 RMM: 4 -0.326431674805E+03 0.57918E-03 -0.94071E-04 4831 0.742E-02 0.114E-01 RMM: 5 -0.326431602834E+03 0.71971E-04 -0.13406E-04 3870 0.303E-02 0.818E-02 RMM: 6 -0.326431567037E+03 0.35797E-04 -0.30853E-05 2730 0.169E-02 0.436E-02 RMM: 7 -0.326431567661E+03 -0.62416E-06 -0.25775E-05 2563 0.151E-02 1099 T= 7741. E= 0.67457595E+03 F= 0.62983742E+03 E0= 0.65855598E+03 EK= 0.63037E+02 SP= -.18E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325249476725E+03 0.11821E+01 -0.15381E-01 7736 0.261E+01 0.198E-01 RMM: 2 -0.325268388211E+03 -0.18911E-01 -0.15092E-01 4919 0.895E-01 0.889E-01 RMM: 3 -0.325262564760E+03 0.58235E-02 -0.16710E-02 5962 0.244E-01 0.197E-01 RMM: 4 -0.325262099579E+03 0.46518E-03 -0.84096E-04 4782 0.664E-02 0.102E-01 RMM: 5 -0.325262043484E+03 0.56095E-04 -0.12608E-04 3842 0.295E-02 0.801E-02 RMM: 6 -0.325262010928E+03 0.32555E-04 -0.33045E-05 2854 0.175E-02 0.465E-02 RMM: 7 -0.325262017612E+03 -0.66840E-05 -0.33199E-05 2638 0.169E-02 1100 T= 7624. E= 0.67458293E+03 F= 0.63100697E+03 E0= 0.65959940E+03 EK= 0.62087E+02 SP= -.19E+02 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323989721806E+03 0.12723E+01 -0.14811E-01 7752 0.258E+01 0.208E-01 RMM: 2 -0.324007571442E+03 -0.17850E-01 -0.13965E-01 5065 0.849E-01 0.910E-01 RMM: 3 -0.324001473399E+03 0.60980E-02 -0.14584E-02 6042 0.231E-01 0.197E-01 RMM: 4 -0.324001051495E+03 0.42190E-03 -0.79445E-04 4735 0.649E-02 0.112E-01 RMM: 5 -0.324000983555E+03 0.67940E-04 -0.12324E-04 3773 0.286E-02 0.818E-02 RMM: 6 -0.324000949437E+03 0.34118E-04 -0.32466E-05 2853 0.175E-02 0.457E-02 RMM: 7 -0.324000955098E+03 -0.56612E-05 -0.28293E-05 2618 0.155E-02 1101 T= 7490. E= 0.67459003E+03 F= 0.63226803E+03 E0= 0.66073895E+03 EK= 0.60992E+02 SP= -.19E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322729533512E+03 0.12714E+01 -0.16330E-01 7944 0.256E+01 0.192E-01 RMM: 2 -0.322750618692E+03 -0.21085E-01 -0.17911E-01 4954 0.951E-01 0.826E-01 RMM: 3 -0.322745210343E+03 0.54083E-02 -0.18884E-02 6098 0.254E-01 0.185E-01 RMM: 4 -0.322744735400E+03 0.47494E-03 -0.87324E-04 4813 0.691E-02 0.110E-01 RMM: 5 -0.322744668645E+03 0.66755E-04 -0.13159E-04 3805 0.298E-02 0.773E-02 RMM: 6 -0.322744640165E+03 0.28481E-04 -0.32944E-05 2858 0.175E-02 0.480E-02 RMM: 7 -0.322744644603E+03 -0.44381E-05 -0.34205E-05 2655 0.171E-02 1102 T= 7350. E= 0.67459658E+03 F= 0.63352434E+03 E0= 0.66188298E+03 EK= 0.59855E+02 SP= -.19E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321569908808E+03 0.11747E+01 -0.15619E-01 8184 0.253E+01 0.200E-01 RMM: 2 -0.321589569517E+03 -0.19661E-01 -0.15606E-01 5168 0.875E-01 0.907E-01 RMM: 3 -0.321583120508E+03 0.64490E-02 -0.14249E-02 6053 0.235E-01 0.196E-01 RMM: 4 -0.321582728615E+03 0.39189E-03 -0.78626E-04 4773 0.633E-02 0.101E-01 RMM: 5 -0.321582674201E+03 0.54414E-04 -0.11816E-04 3767 0.283E-02 0.797E-02 RMM: 6 -0.321582644269E+03 0.29932E-04 -0.32217E-05 2833 0.174E-02 0.521E-02 RMM: 7 -0.321582651924E+03 -0.76552E-05 -0.49218E-05 3051 0.196E-02 1103 T= 7217. E= 0.67460212E+03 F= 0.63468634E+03 E0= 0.66294708E+03 EK= 0.58772E+02 SP= -.19E+02 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320577409489E+03 0.10052E+01 -0.17357E-01 8496 0.251E+01 0.189E-01 RMM: 2 -0.320597981874E+03 -0.20572E-01 -0.17644E-01 5161 0.916E-01 0.798E-01 RMM: 3 -0.320592415893E+03 0.55660E-02 -0.15819E-02 6110 0.239E-01 0.178E-01 RMM: 4 -0.320592023970E+03 0.39192E-03 -0.79999E-04 4809 0.649E-02 0.107E-01 RMM: 5 -0.320591963260E+03 0.60709E-04 -0.11555E-04 3728 0.281E-02 0.759E-02 RMM: 6 -0.320591936093E+03 0.27168E-04 -0.30613E-05 2797 0.172E-02 0.440E-02 RMM: 7 -0.320591947322E+03 -0.11229E-04 -0.29264E-05 2621 0.158E-02 1104 T= 7101. E= 0.67460559E+03 F= 0.63567704E+03 E0= 0.66385782E+03 EK= 0.57828E+02 SP= -.19E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319813622731E+03 0.77831E+00 -0.17674E-01 8800 0.249E+01 0.185E-01 RMM: 2 -0.319833282882E+03 -0.19660E-01 -0.16684E-01 5159 0.892E-01 0.795E-01 RMM: 3 -0.319827731100E+03 0.55518E-02 -0.14214E-02 6024 0.236E-01 0.172E-01 RMM: 4 -0.319827400216E+03 0.33088E-03 -0.74088E-04 4847 0.614E-02 0.103E-01 RMM: 5 -0.319827341074E+03 0.59143E-04 -0.10653E-04 3711 0.281E-02 0.740E-02 RMM: 6 -0.319827314734E+03 0.26339E-04 -0.30759E-05 2750 0.169E-02 0.484E-02 RMM: 7 -0.319827320189E+03 -0.54547E-05 -0.57949E-05 3286 0.206E-02 1105 T= 7009. E= 0.67460704E+03 F= 0.63644167E+03 E0= 0.66456280E+03 EK= 0.57081E+02 SP= -.19E+02 SK= 0.67E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.319306351050E+03 0.52096E+00 -0.17712E-01 8840 0.248E+01 0.177E-01 RMM: 2 -0.319326026736E+03 -0.19676E-01 -0.17449E-01 5151 0.905E-01 0.722E-01 RMM: 3 -0.319321155949E+03 0.48708E-02 -0.15103E-02 6237 0.233E-01 0.154E-01 RMM: 4 -0.319320820603E+03 0.33535E-03 -0.72290E-04 4766 0.630E-02 0.113E-01 RMM: 5 -0.319320747930E+03 0.72673E-04 -0.10739E-04 3696 0.281E-02 0.737E-02 RMM: 6 -0.319320723859E+03 0.24071E-04 -0.29459E-05 2724 0.167E-02 0.461E-02 RMM: 7 -0.319320733823E+03 -0.99642E-05 -0.33249E-05 2653 0.168E-02 1106 T= 6947. E= 0.67460703E+03 F= 0.63694826E+03 E0= 0.66503049E+03 EK= 0.56570E+02 SP= -.19E+02 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319072469500E+03 0.24825E+00 -0.18162E-01 8816 0.248E+01 0.176E-01 RMM: 2 -0.319091481701E+03 -0.19012E-01 -0.17015E-01 5422 0.878E-01 0.694E-01 RMM: 3 -0.319086728847E+03 0.47529E-02 -0.12683E-02 6033 0.221E-01 0.146E-01 RMM: 4 -0.319086498205E+03 0.23064E-03 -0.65471E-04 4889 0.560E-02 0.110E-01 RMM: 5 -0.319086416662E+03 0.81543E-04 -0.90203E-05 3648 0.257E-02 0.680E-02 RMM: 6 -0.319086400241E+03 0.16421E-04 -0.28571E-05 2638 0.163E-02 1107 T= 6915. E= 0.67460705E+03 F= 0.63718259E+03 E0= 0.66524673E+03 EK= 0.56314E+02 SP= -.19E+02 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319118564126E+03 -0.32147E-01 -0.18114E-01 8920 0.248E+01 0.252E-01 RMM: 2 -0.319143153875E+03 -0.24590E-01 -0.17421E-01 5268 0.900E-01 0.113E+00 RMM: 3 -0.319132844799E+03 0.10309E-01 -0.15230E-02 5580 0.265E-01 0.199E-01 RMM: 4 -0.319132533283E+03 0.31152E-03 -0.12194E-03 5268 0.674E-02 0.100E-01 RMM: 5 -0.319132478498E+03 0.54786E-04 -0.11751E-04 3842 0.286E-02 0.872E-02 RMM: 6 -0.319132444723E+03 0.33774E-04 -0.34271E-05 2851 0.176E-02 0.593E-02 RMM: 7 -0.319132474228E+03 -0.29505E-04 -0.78610E-05 3707 0.231E-02 0.943E-02 RMM: 8 -0.319132419545E+03 0.54683E-04 -0.76565E-05 3757 0.208E-02 0.281E-02 RMM: 9 -0.319132417893E+03 0.16521E-05 -0.11938E-05 2486 0.986E-03 1108 T= 6916. E= 0.67460743E+03 F= 0.63713657E+03 E0= 0.66520036E+03 EK= 0.56321E+02 SP= -.19E+02 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319458422716E+03 -0.32600E+00 -0.17424E-01 8912 0.249E+01 0.269E-01 RMM: 2 -0.319483772011E+03 -0.25349E-01 -0.16998E-01 5423 0.876E-01 0.122E+00 RMM: 3 -0.319471903821E+03 0.11868E-01 -0.13109E-02 5558 0.244E-01 0.248E-01 RMM: 4 -0.319471527622E+03 0.37620E-03 -0.13850E-03 4751 0.828E-02 0.161E-01 RMM: 5 -0.319471393760E+03 0.13386E-03 -0.21472E-04 3888 0.366E-02 0.102E-01 RMM: 6 -0.319471326882E+03 0.66879E-04 -0.52231E-05 3235 0.217E-02 0.405E-02 RMM: 7 -0.319471335938E+03 -0.90561E-05 -0.29013E-05 2592 0.156E-02 1109 T= 6951. E= 0.67460762E+03 F= 0.63679765E+03 E0= 0.66487654E+03 EK= 0.56603E+02 SP= -.19E+02 SK= 0.76E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320099972172E+03 -0.62865E+00 -0.17146E-01 8896 0.249E+01 0.234E-01 RMM: 2 -0.320121613672E+03 -0.21642E-01 -0.16943E-01 5485 0.867E-01 0.962E-01 RMM: 3 -0.320113468256E+03 0.81454E-02 -0.12650E-02 5856 0.230E-01 0.183E-01 RMM: 4 -0.320113201089E+03 0.26717E-03 -0.87975E-04 5022 0.600E-02 0.112E-01 RMM: 5 -0.320113137385E+03 0.63703E-04 -0.10344E-04 3894 0.254E-02 0.876E-02 RMM: 6 -0.320113106981E+03 0.30404E-04 -0.31208E-05 2792 0.169E-02 0.625E-02 RMM: 7 -0.320113134019E+03 -0.27038E-04 -0.94483E-05 3893 0.239E-02 0.941E-02 RMM: 8 -0.320113080764E+03 0.53255E-04 -0.49547E-05 3148 0.189E-02 0.308E-02 RMM: 9 -0.320113079169E+03 0.15949E-05 -0.15068E-05 2484 0.113E-02 1110 T= 7020. E= 0.67460588E+03 F= 0.63615591E+03 E0= 0.66426222E+03 EK= 0.57168E+02 SP= -.19E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321025284607E+03 -0.91220E+00 -0.17996E-01 8784 0.250E+01 0.237E-01 RMM: 2 -0.321048207884E+03 -0.22923E-01 -0.19182E-01 5247 0.927E-01 0.912E-01 RMM: 3 -0.321040840598E+03 0.73673E-02 -0.15493E-02 6002 0.241E-01 0.189E-01 RMM: 4 -0.321040574863E+03 0.26574E-03 -0.98520E-04 4751 0.716E-02 0.175E-01 RMM: 5 -0.321040374766E+03 0.20010E-03 -0.17443E-04 3891 0.331E-02 0.897E-02 RMM: 6 -0.321040326115E+03 0.48651E-04 -0.46345E-05 3139 0.204E-02 0.419E-02 RMM: 7 -0.321040324773E+03 0.13417E-05 -0.33506E-05 2637 0.162E-02 1111 T= 7121. E= 0.67459999E+03 F= 0.63522866E+03 E0= 0.66337085E+03 EK= 0.57991E+02 SP= -.19E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322166287437E+03 -0.11260E+01 -0.19747E-01 9008 0.252E+01 0.188E-01 RMM: 2 -0.322188131734E+03 -0.21844E-01 -0.19438E-01 5467 0.905E-01 0.750E-01 RMM: 3 -0.322182254130E+03 0.58776E-02 -0.13133E-02 6108 0.222E-01 0.176E-01 RMM: 4 -0.322181933178E+03 0.32095E-03 -0.74601E-04 4823 0.593E-02 0.112E-01 RMM: 5 -0.322181854161E+03 0.79017E-04 -0.98496E-05 3754 0.249E-02 0.777E-02 RMM: 6 -0.322181848673E+03 0.54884E-05 -0.30208E-05 2724 0.164E-02 1112 T= 7245. E= 0.67459037E+03 F= 0.63408714E+03 E0= 0.66227192E+03 EK= 0.58997E+02 SP= -.19E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323393348052E+03 -0.12115E+01 -0.23948E-01 9040 0.254E+01 0.301E-01 RMM: 2 -0.323431906186E+03 -0.38558E-01 -0.22950E-01 5451 0.986E-01 0.159E+00 RMM: 3 -0.323412117483E+03 0.19789E-01 -0.18206E-02 5424 0.298E-01 0.275E-01 RMM: 4 -0.323411645827E+03 0.47166E-03 -0.18138E-03 5044 0.835E-02 0.134E-01 RMM: 5 -0.323411546952E+03 0.98875E-04 -0.19632E-04 4071 0.336E-02 0.995E-02 RMM: 6 -0.323411506857E+03 0.40094E-04 -0.38951E-05 2947 0.184E-02 0.714E-02 RMM: 7 -0.323411533198E+03 -0.26340E-04 -0.61828E-05 3406 0.219E-02 0.959E-02 RMM: 8 -0.323411482052E+03 0.51146E-04 -0.85215E-05 3860 0.206E-02 0.407E-02 RMM: 9 -0.323411482005E+03 0.47179E-07 -0.22651E-05 2592 0.139E-02 1113 T= 7375. E= 0.67457896E+03 F= 0.63285751E+03 E0= 0.66108911E+03 EK= 0.60055E+02 SP= -.18E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324558417445E+03 -0.11469E+01 -0.29913E-01 9064 0.257E+01 0.331E-01 RMM: 2 -0.324602374746E+03 -0.43957E-01 -0.27368E-01 5431 0.108E+00 0.168E+00 RMM: 3 -0.324580691247E+03 0.21683E-01 -0.20533E-02 5475 0.311E-01 0.284E-01 RMM: 4 -0.324580244286E+03 0.44696E-03 -0.22672E-03 5107 0.103E-01 0.202E-01 RMM: 5 -0.324580046824E+03 0.19746E-03 -0.34665E-04 3912 0.448E-02 0.131E-01 RMM: 6 -0.324579948826E+03 0.97999E-04 -0.84394E-05 3621 0.253E-02 0.617E-02 RMM: 7 -0.324579967001E+03 -0.18175E-04 -0.46852E-05 3090 0.183E-02 1114 T= 7492. E= 0.67456887E+03 F= 0.63168902E+03 E0= 0.65996961E+03 EK= 0.61012E+02 SP= -.18E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325529605213E+03 -0.94966E+00 -0.36229E-01 9032 0.259E+01 0.256E-01 RMM: 2 -0.325568197751E+03 -0.38593E-01 -0.29020E-01 5813 0.108E+00 0.127E+00 RMM: 3 -0.325554528342E+03 0.13669E-01 -0.16766E-02 5554 0.273E-01 0.227E-01 RMM: 4 -0.325554183164E+03 0.34518E-03 -0.13702E-03 5075 0.734E-02 0.142E-01 RMM: 5 -0.325554099032E+03 0.84132E-04 -0.16454E-04 4323 0.309E-02 0.110E-01 RMM: 6 -0.325554084219E+03 0.14813E-04 -0.39434E-05 2955 0.182E-02 1115 T= 7581. E= 0.67456180E+03 F= 0.63071491E+03 E0= 0.65904517E+03 EK= 0.61731E+02 SP= -.18E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326214816760E+03 -0.66072E+00 -0.43873E-01 8928 0.261E+01 0.390E-01 RMM: 2 -0.326273766472E+03 -0.58950E-01 -0.33016E-01 5540 0.115E+00 0.204E+00 RMM: 3 -0.326241898499E+03 0.31868E-01 -0.26793E-02 5398 0.376E-01 0.320E-01 RMM: 4 -0.326241322074E+03 0.57643E-03 -0.32161E-03 5748 0.960E-02 0.146E-01 RMM: 5 -0.326241179065E+03 0.14301E-03 -0.21344E-04 3993 0.359E-02 0.116E-01 RMM: 6 -0.326241141889E+03 0.37176E-04 -0.52342E-05 3202 0.208E-02 0.914E-02 RMM: 7 -0.326241208514E+03 -0.66626E-04 -0.88216E-05 3756 0.251E-02 0.125E-01 RMM: 8 -0.326241136816E+03 0.71698E-04 -0.12677E-04 3894 0.243E-02 0.573E-02 RMM: 9 -0.326241127350E+03 0.94662E-05 -0.34015E-05 2915 0.168E-02 1116 T= 7628. E= 0.67455759E+03 F= 0.63002786E+03 E0= 0.65840930E+03 EK= 0.62116E+02 SP= -.18E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326566446673E+03 -0.32531E+00 -0.52941E-01 8912 0.262E+01 0.447E-01 RMM: 2 -0.326632706035E+03 -0.66259E-01 -0.37764E-01 5196 0.125E+00 0.216E+00 RMM: 3 -0.326597371029E+03 0.35335E-01 -0.33343E-02 5442 0.401E-01 0.410E-01 RMM: 4 -0.326596272669E+03 0.10984E-02 -0.38000E-03 5440 0.125E-01 0.211E-01 RMM: 5 -0.326596195513E+03 0.77157E-04 -0.53643E-04 4266 0.521E-02 0.177E-01 RMM: 6 -0.326596012862E+03 0.18265E-03 -0.15115E-04 3875 0.313E-02 0.714E-02 RMM: 7 -0.326596084036E+03 -0.71174E-04 -0.79651E-05 3580 0.221E-02 0.116E-01 RMM: 8 -0.326596033266E+03 0.50771E-04 -0.89470E-05 3859 0.257E-02 0.454E-02 RMM: 9 -0.326596034392E+03 -0.11265E-05 -0.22994E-05 2615 0.138E-02 1117 T= 7628. E= 0.67455683E+03 F= 0.62967295E+03 E0= 0.65810251E+03 EK= 0.62120E+02 SP= -.17E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326589116207E+03 0.69171E-02 -0.58003E-01 8848 0.262E+01 0.261E-01 RMM: 2 -0.326631895343E+03 -0.42779E-01 -0.34160E-01 5963 0.116E+00 0.122E+00 RMM: 3 -0.326619180321E+03 0.12715E-01 -0.18856E-02 5601 0.289E-01 0.242E-01 RMM: 4 -0.326618753670E+03 0.42665E-03 -0.15407E-03 4968 0.803E-02 0.139E-01 RMM: 5 -0.326618659260E+03 0.94410E-04 -0.20793E-04 4342 0.335E-02 0.950E-02 RMM: 6 -0.326618619009E+03 0.40250E-04 -0.39159E-05 2975 0.183E-02 0.666E-02 RMM: 7 -0.326618644203E+03 -0.25193E-04 -0.64707E-05 3463 0.220E-02 0.892E-02 RMM: 8 -0.326618598731E+03 0.45472E-04 -0.71574E-05 3626 0.207E-02 0.336E-02 RMM: 9 -0.326618600383E+03 -0.16525E-05 -0.17311E-05 2524 0.119E-02 1118 T= 7582. E= 0.67455903E+03 F= 0.62965039E+03 E0= 0.65812528E+03 EK= 0.61745E+02 SP= -.17E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326322826865E+03 0.29577E+00 -0.58469E-01 8832 0.261E+01 0.244E-01 RMM: 2 -0.326360661420E+03 -0.37835E-01 -0.32466E-01 5956 0.115E+00 0.102E+00 RMM: 3 -0.326351760279E+03 0.89011E-02 -0.17963E-02 5755 0.274E-01 0.188E-01 RMM: 4 -0.326351492714E+03 0.26757E-03 -0.12105E-03 4911 0.741E-02 0.159E-01 RMM: 5 -0.326351346778E+03 0.14594E-03 -0.18375E-04 4091 0.324E-02 0.939E-02 RMM: 6 -0.326351314904E+03 0.31873E-04 -0.51396E-05 3186 0.206E-02 0.663E-02 RMM: 7 -0.326351353020E+03 -0.38116E-04 -0.74710E-05 3625 0.225E-02 0.985E-02 RMM: 8 -0.326351294720E+03 0.58300E-04 -0.50368E-05 3166 0.195E-02 0.283E-02 RMM: 9 -0.326351300094E+03 -0.53737E-05 -0.19176E-05 2513 0.126E-02 1119 T= 7495. E= 0.67456319E+03 F= 0.62991769E+03 E0= 0.65843345E+03 EK= 0.61038E+02 SP= -.17E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325846587011E+03 0.50471E+00 -0.54164E-01 8872 0.259E+01 0.222E-01 RMM: 2 -0.325880725441E+03 -0.34138E-01 -0.30915E-01 5904 0.114E+00 0.814E-01 RMM: 3 -0.325874603958E+03 0.61215E-02 -0.19461E-02 5831 0.268E-01 0.191E-01 RMM: 4 -0.325874229363E+03 0.37459E-03 -0.11779E-03 4899 0.744E-02 0.158E-01 RMM: 5 -0.325874068537E+03 0.16083E-03 -0.18881E-04 3969 0.343E-02 0.808E-02 RMM: 6 -0.325874056407E+03 0.12129E-04 -0.49541E-05 3147 0.200E-02 1120 T= 7378. E= 0.67456951E+03 F= 0.63039493E+03 E0= 0.65894639E+03 EK= 0.60086E+02 SP= -.16E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325271316423E+03 0.60275E+00 -0.46269E-01 8880 0.256E+01 0.328E-01 RMM: 2 -0.325317155412E+03 -0.45839E-01 -0.28598E-01 5557 0.113E+00 0.168E+00 RMM: 3 -0.325296149958E+03 0.21005E-01 -0.23411E-02 5430 0.337E-01 0.281E-01 RMM: 4 -0.325295604687E+03 0.54527E-03 -0.23548E-03 5561 0.872E-02 0.132E-01 RMM: 5 -0.325295514107E+03 0.90581E-04 -0.20930E-04 4152 0.353E-02 0.117E-01 RMM: 6 -0.325295472969E+03 0.41138E-04 -0.70992E-05 3423 0.233E-02 0.928E-02 RMM: 7 -0.325295589058E+03 -0.11609E-03 -0.16000E-04 3880 0.332E-02 0.155E-01 RMM: 8 -0.325295445073E+03 0.14399E-03 -0.14019E-04 3909 0.291E-02 0.460E-02 RMM: 9 -0.325295438278E+03 0.67952E-05 -0.21177E-05 2598 0.133E-02 1121 T= 7246. E= 0.67457711E+03 F= 0.63097355E+03 E0= 0.65955409E+03 EK= 0.59003E+02 SP= -.16E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324712955737E+03 0.58249E+00 -0.35535E-01 8864 0.254E+01 0.347E-01 RMM: 2 -0.324760726653E+03 -0.47771E-01 -0.26706E-01 5154 0.110E+00 0.182E+00 RMM: 3 -0.324735927883E+03 0.24799E-01 -0.25252E-02 5425 0.348E-01 0.327E-01 RMM: 4 -0.324735254293E+03 0.67359E-03 -0.27291E-03 5418 0.108E-01 0.183E-01 RMM: 5 -0.324735174990E+03 0.79303E-04 -0.36371E-04 3942 0.432E-02 0.160E-01 RMM: 6 -0.324735007156E+03 0.16783E-03 -0.11260E-04 3774 0.290E-02 0.539E-02 RMM: 7 -0.324735048660E+03 -0.41505E-04 -0.71194E-05 3476 0.219E-02 0.954E-02 RMM: 8 -0.324735000136E+03 0.48524E-04 -0.63938E-05 3449 0.223E-02 0.345E-02 RMM: 9 -0.324734998107E+03 0.20288E-05 -0.15092E-05 2507 0.111E-02 1122 T= 7112. E= 0.67458392E+03 F= 0.63153399E+03 E0= 0.66013824E+03 EK= 0.57916E+02 SP= -.15E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324273739830E+03 0.46126E+00 -0.25819E-01 8840 0.251E+01 0.248E-01 RMM: 2 -0.324304285732E+03 -0.30546E-01 -0.22099E-01 5109 0.102E+00 0.121E+00 RMM: 3 -0.324292947612E+03 0.11338E-01 -0.20748E-02 5643 0.292E-01 0.225E-01 RMM: 4 -0.324292460017E+03 0.48760E-03 -0.14871E-03 5109 0.777E-02 0.111E-01 RMM: 5 -0.324292376546E+03 0.83471E-04 -0.17187E-04 4751 0.305E-02 0.839E-02 RMM: 6 -0.324292346832E+03 0.29714E-04 -0.32152E-05 2715 0.171E-02 0.606E-02 RMM: 7 -0.324292363846E+03 -0.17014E-04 -0.57853E-05 3278 0.207E-02 1123 T= 6991. E= 0.67458662E+03 F= 0.63197663E+03 E0= 0.66059956E+03 EK= 0.56927E+02 SP= -.15E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323999779532E+03 0.29257E+00 -0.18896E-01 8456 0.250E+01 0.212E-01 RMM: 2 -0.324023971843E+03 -0.24192E-01 -0.18239E-01 5101 0.935E-01 0.103E+00 RMM: 3 -0.324015875013E+03 0.80968E-02 -0.18163E-02 5766 0.260E-01 0.220E-01 RMM: 4 -0.324015354680E+03 0.52033E-03 -0.11062E-03 4830 0.712E-02 0.106E-01 RMM: 5 -0.324015304289E+03 0.50391E-04 -0.15058E-04 4123 0.304E-02 0.834E-02 RMM: 6 -0.324015271730E+03 0.32559E-04 -0.29184E-05 2666 0.161E-02 0.600E-02 RMM: 7 -0.324015296470E+03 -0.24740E-04 -0.51917E-05 3223 0.202E-02 0.926E-02 RMM: 8 -0.324015241777E+03 0.54693E-04 -0.74806E-05 3681 0.212E-02 0.357E-02 RMM: 9 -0.324015237262E+03 0.45145E-05 -0.15864E-05 2520 0.114E-02 1124 T= 6888. E= 0.67458548E+03 F= 0.63225375E+03 E0= 0.66089087E+03 EK= 0.56088E+02 SP= -.14E+02 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323875119632E+03 0.14012E+00 -0.15735E-01 8024 0.249E+01 0.216E-01 RMM: 2 -0.323897666088E+03 -0.22546E-01 -0.17324E-01 4874 0.935E-01 0.989E-01 RMM: 3 -0.323890366032E+03 0.73001E-02 -0.18910E-02 5883 0.257E-01 0.176E-01 RMM: 4 -0.323889975810E+03 0.39022E-03 -0.10424E-03 4807 0.731E-02 0.144E-01 RMM: 5 -0.323889849111E+03 0.12670E-03 -0.16227E-04 3912 0.319E-02 0.833E-02 RMM: 6 -0.323889809004E+03 0.40107E-04 -0.39354E-05 2992 0.187E-02 0.432E-02 RMM: 7 -0.323889813451E+03 -0.44462E-05 -0.23554E-05 2545 0.149E-02 1125 T= 6802. E= 0.67458122E+03 F= 0.63237918E+03 E0= 0.66102721E+03 EK= 0.55390E+02 SP= -.14E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323834507553E+03 0.55301E-01 -0.13725E-01 8160 0.249E+01 0.179E-01 RMM: 2 -0.323851883846E+03 -0.17376E-01 -0.14213E-01 4902 0.861E-01 0.801E-01 RMM: 3 -0.323847234471E+03 0.46494E-02 -0.15959E-02 6024 0.232E-01 0.178E-01 RMM: 4 -0.323846811114E+03 0.42336E-03 -0.75762E-04 4758 0.625E-02 0.963E-02 RMM: 5 -0.323846762714E+03 0.48399E-04 -0.10956E-04 3901 0.282E-02 0.728E-02 RMM: 6 -0.323846744893E+03 0.17821E-04 -0.26811E-05 2559 0.154E-02 1126 T= 6725. E= 0.67457484E+03 F= 0.63242224E+03 E0= 0.66107786E+03 EK= 0.54766E+02 SP= -.13E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323768233948E+03 0.78529E-01 -0.14214E-01 7888 0.249E+01 0.275E-01 RMM: 2 -0.323798300156E+03 -0.30066E-01 -0.17699E-01 4773 0.974E-01 0.145E+00 RMM: 3 -0.323783414846E+03 0.14885E-01 -0.21280E-02 5561 0.300E-01 0.218E-01 RMM: 4 -0.323782988133E+03 0.42671E-03 -0.16634E-03 5358 0.764E-02 0.111E-01 RMM: 5 -0.323782911191E+03 0.76942E-04 -0.16777E-04 4009 0.344E-02 0.842E-02 RMM: 6 -0.323782880143E+03 0.31048E-04 -0.34768E-05 2712 0.173E-02 0.617E-02 RMM: 7 -0.323782895318E+03 -0.15175E-04 -0.43034E-05 3054 0.194E-02 1127 T= 6646. E= 0.67456821E+03 F= 0.63248609E+03 E0= 0.66114748E+03 EK= 0.54120E+02 SP= -.13E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323585218021E+03 0.19766E+00 -0.13609E-01 8224 0.248E+01 0.274E-01 RMM: 2 -0.323610459535E+03 -0.25242E-01 -0.14480E-01 4918 0.874E-01 0.136E+00 RMM: 3 -0.323597596047E+03 0.12863E-01 -0.16621E-02 5494 0.276E-01 0.314E-01 RMM: 4 -0.323596872456E+03 0.72359E-03 -0.16531E-03 4984 0.875E-02 0.122E-01 RMM: 5 -0.323596830430E+03 0.42026E-04 -0.24000E-04 3906 0.378E-02 0.109E-01 RMM: 6 -0.323596754547E+03 0.75884E-04 -0.60019E-05 3330 0.224E-02 0.485E-02 RMM: 7 -0.323596761718E+03 -0.71712E-05 -0.24520E-05 2583 0.144E-02 1128 T= 6552. E= 0.67456425E+03 F= 0.63267223E+03 E0= 0.66133674E+03 EK= 0.53355E+02 SP= -.12E+02 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323208669551E+03 0.38808E+00 -0.14749E-01 8192 0.246E+01 0.254E-01 RMM: 2 -0.323236471880E+03 -0.27802E-01 -0.17272E-01 4868 0.940E-01 0.135E+00 RMM: 3 -0.323223403991E+03 0.13068E-01 -0.19128E-02 5647 0.278E-01 0.223E-01 RMM: 4 -0.323222911281E+03 0.49271E-03 -0.13293E-03 5058 0.740E-02 0.111E-01 RMM: 5 -0.323222842932E+03 0.68349E-04 -0.16481E-04 3978 0.327E-02 0.853E-02 RMM: 6 -0.323222809947E+03 0.32985E-04 -0.33371E-05 2710 0.169E-02 0.630E-02 RMM: 7 -0.323222816556E+03 -0.66091E-05 -0.30230E-05 2627 0.164E-02 1129 T= 6436. E= 0.67456446E+03 F= 0.63304617E+03 E0= 0.66171256E+03 EK= 0.52414E+02 SP= -.12E+02 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322640969614E+03 0.58184E+00 -0.13684E-01 8600 0.244E+01 0.215E-01 RMM: 2 -0.322658971898E+03 -0.18002E-01 -0.13362E-01 5160 0.795E-01 0.951E-01 RMM: 3 -0.322652072083E+03 0.68998E-02 -0.12600E-02 5713 0.227E-01 0.209E-01 RMM: 4 -0.322651713847E+03 0.35824E-03 -0.92894E-04 4896 0.631E-02 0.107E-01 RMM: 5 -0.322651654186E+03 0.59661E-04 -0.12388E-04 3820 0.281E-02 0.810E-02 RMM: 6 -0.322651618441E+03 0.35745E-04 -0.27037E-05 2655 0.156E-02 0.511E-02 RMM: 7 -0.322651621828E+03 -0.33867E-05 -0.25889E-05 2592 0.151E-02 1130 T= 6299. E= 0.67456816E+03 F= 0.63361737E+03 E0= 0.66228410E+03 EK= 0.51292E+02 SP= -.11E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321922038288E+03 0.72958E+00 -0.14315E-01 8528 0.240E+01 0.225E-01 RMM: 2 -0.321942824474E+03 -0.20786E-01 -0.14154E-01 5094 0.815E-01 0.111E+00 RMM: 3 -0.321933888893E+03 0.89356E-02 -0.13746E-02 5742 0.234E-01 0.235E-01 RMM: 4 -0.321933386407E+03 0.50249E-03 -0.10109E-03 4799 0.681E-02 0.101E-01 RMM: 5 -0.321933346299E+03 0.40107E-04 -0.14686E-04 3882 0.302E-02 0.904E-02 RMM: 6 -0.321933298896E+03 0.47403E-04 -0.35009E-05 2926 0.177E-02 0.525E-02 RMM: 7 -0.321933306749E+03 -0.78528E-05 -0.28651E-05 2617 0.156E-02 1131 T= 6146. E= 0.67457459E+03 F= 0.63433568E+03 E0= 0.66300249E+03 EK= 0.50047E+02 SP= -.10E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321151874084E+03 0.78142E+00 -0.14432E-01 8592 0.236E+01 0.233E-01 RMM: 2 -0.321171833346E+03 -0.19959E-01 -0.13786E-01 5298 0.797E-01 0.107E+00 RMM: 3 -0.321163010073E+03 0.88233E-02 -0.12215E-02 5606 0.232E-01 0.208E-01 RMM: 4 -0.321162698804E+03 0.31127E-03 -0.10356E-03 4966 0.646E-02 0.108E-01 RMM: 5 -0.321162649685E+03 0.49119E-04 -0.13165E-04 3831 0.294E-02 0.885E-02 RMM: 6 -0.321162602747E+03 0.46938E-04 -0.32263E-05 2842 0.170E-02 0.478E-02 RMM: 7 -0.321162610881E+03 -0.81342E-05 -0.25427E-05 2590 0.150E-02 1132 T= 5990. E= 0.67458260E+03 F= 0.63510638E+03 E0= 0.66377386E+03 EK= 0.48776E+02 SP= -.99E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320443294847E+03 0.71931E+00 -0.13923E-01 8688 0.231E+01 0.237E-01 RMM: 2 -0.320463972696E+03 -0.20678E-01 -0.13071E-01 5276 0.783E-01 0.117E+00 RMM: 3 -0.320453965122E+03 0.10008E-01 -0.11564E-02 5609 0.226E-01 0.266E-01 RMM: 4 -0.320453408946E+03 0.55618E-03 -0.10781E-03 4736 0.709E-02 0.960E-02 RMM: 5 -0.320453388530E+03 0.20416E-04 -0.16284E-04 3889 0.315E-02 0.976E-02 RMM: 6 -0.320453330740E+03 0.57789E-04 -0.39907E-05 3041 0.192E-02 0.486E-02 RMM: 7 -0.320453336559E+03 -0.58190E-05 -0.21791E-05 2554 0.140E-02 1133 T= 5845. E= 0.67459016E+03 F= 0.63581565E+03 E0= 0.66448574E+03 EK= 0.47597E+02 SP= -.93E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319900474537E+03 0.55286E+00 -0.13194E-01 8704 0.228E+01 0.243E-01 RMM: 2 -0.319920818034E+03 -0.20343E-01 -0.12600E-01 5246 0.763E-01 0.117E+00 RMM: 3 -0.319910434729E+03 0.10383E-01 -0.11787E-02 5474 0.235E-01 0.191E-01 RMM: 4 -0.319910190153E+03 0.24458E-03 -0.10745E-03 5025 0.642E-02 0.106E-01 RMM: 5 -0.319910145311E+03 0.44842E-04 -0.12519E-04 3772 0.296E-02 0.924E-02 RMM: 6 -0.319910092176E+03 0.53135E-04 -0.36287E-05 2963 0.180E-02 0.424E-02 RMM: 7 -0.319910100945E+03 -0.87692E-05 -0.23611E-05 2560 0.148E-02 1134 T= 5724. E= 0.67459551E+03 F= 0.63635889E+03 E0= 0.66503507E+03 EK= 0.46614E+02 SP= -.88E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319597982801E+03 0.31211E+00 -0.12981E-01 8520 0.225E+01 0.215E-01 RMM: 2 -0.319616631163E+03 -0.18648E-01 -0.12312E-01 5274 0.749E-01 0.107E+00 RMM: 3 -0.319607954821E+03 0.86763E-02 -0.10282E-02 5572 0.213E-01 0.227E-01 RMM: 4 -0.319607566117E+03 0.38870E-03 -0.94400E-04 4719 0.661E-02 0.985E-02 RMM: 5 -0.319607540937E+03 0.25180E-04 -0.14527E-04 3871 0.303E-02 0.960E-02 RMM: 6 -0.319607483087E+03 0.57850E-04 -0.40953E-05 3072 0.195E-02 0.436E-02 RMM: 7 -0.319607487072E+03 -0.39849E-05 -0.18343E-05 2529 0.128E-02 1135 T= 5637. E= 0.67459812E+03 F= 0.63666150E+03 E0= 0.66534776E+03 EK= 0.45903E+02 SP= -.84E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319575388019E+03 0.32095E-01 -0.12564E-01 8744 0.223E+01 0.225E-01 RMM: 2 -0.319593369245E+03 -0.17981E-01 -0.11501E-01 5301 0.721E-01 0.108E+00 RMM: 3 -0.319584414890E+03 0.89544E-02 -0.10022E-02 5473 0.215E-01 0.169E-01 RMM: 4 -0.319584229883E+03 0.18501E-03 -0.87715E-04 5000 0.583E-02 0.106E-01 RMM: 5 -0.319584179080E+03 0.50802E-04 -0.10511E-04 3716 0.277E-02 0.863E-02 RMM: 6 -0.319584132990E+03 0.46091E-04 -0.32990E-05 2923 0.173E-02 0.392E-02 RMM: 7 -0.319584140690E+03 -0.77005E-05 -0.21941E-05 2543 0.140E-02 1136 T= 5588. E= 0.67459839E+03 F= 0.63668485E+03 E0= 0.66538575E+03 EK= 0.45503E+02 SP= -.79E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319840739321E+03 -0.25661E+00 -0.12499E-01 8992 0.223E+01 0.188E-01 RMM: 2 -0.319855705475E+03 -0.14966E-01 -0.10886E-01 5352 0.694E-01 0.881E-01 RMM: 3 -0.319849410365E+03 0.62951E-02 -0.81340E-03 5601 0.188E-01 0.189E-01 RMM: 4 -0.319849163479E+03 0.24689E-03 -0.74129E-04 4710 0.590E-02 0.104E-01 RMM: 5 -0.319849112885E+03 0.50594E-04 -0.11285E-04 3798 0.267E-02 0.860E-02 RMM: 6 -0.319849068608E+03 0.44277E-04 -0.32213E-05 2885 0.177E-02 0.431E-02 RMM: 7 -0.319849071751E+03 -0.31427E-05 -0.17746E-05 2520 0.121E-02 1137 T= 5578. E= 0.67459697E+03 F= 0.63641992E+03 E0= 0.66513903E+03 EK= 0.45421E+02 SP= -.75E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320383655512E+03 -0.53459E+00 -0.12493E-01 9024 0.224E+01 0.206E-01 RMM: 2 -0.320399074570E+03 -0.15419E-01 -0.10277E-01 5446 0.676E-01 0.982E-01 RMM: 3 -0.320391600731E+03 0.74738E-02 -0.80123E-03 5491 0.193E-01 0.170E-01 RMM: 4 -0.320391410835E+03 0.18990E-03 -0.71548E-04 4938 0.533E-02 0.985E-02 RMM: 5 -0.320391360995E+03 0.49839E-04 -0.86703E-05 3631 0.253E-02 0.787E-02 RMM: 6 -0.320391325078E+03 0.35917E-04 -0.27272E-05 2741 0.160E-02 0.437E-02 RMM: 7 -0.320391332509E+03 -0.74312E-05 -0.29698E-05 2615 0.154E-02 1138 T= 5605. E= 0.67459472E+03 F= 0.63587766E+03 E0= 0.66461833E+03 EK= 0.45646E+02 SP= -.72E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321181937299E+03 -0.79061E+00 -0.12373E-01 8968 0.225E+01 0.176E-01 RMM: 2 -0.321194380551E+03 -0.12443E-01 -0.95312E-02 5561 0.647E-01 0.770E-01 RMM: 3 -0.321189400005E+03 0.49805E-02 -0.61309E-03 5725 0.163E-01 0.176E-01 RMM: 4 -0.321189191194E+03 0.20881E-03 -0.58767E-04 4630 0.533E-02 0.104E-01 RMM: 5 -0.321189133802E+03 0.57391E-04 -0.93633E-05 3674 0.248E-02 0.794E-02 RMM: 6 -0.321189097838E+03 0.35964E-04 -0.25776E-05 2721 0.161E-02 0.428E-02 RMM: 7 -0.321189100018E+03 -0.21801E-05 -0.18103E-05 2520 0.118E-02 1139 T= 5667. E= 0.67459179E+03 F= 0.63507989E+03 E0= 0.66384350E+03 EK= 0.46153E+02 SP= -.68E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322207320296E+03 -0.10182E+01 -0.12491E-01 8912 0.227E+01 0.198E-01 RMM: 2 -0.322221969118E+03 -0.14649E-01 -0.94204E-02 5558 0.645E-01 0.986E-01 RMM: 3 -0.322214599739E+03 0.73694E-02 -0.68369E-03 5645 0.176E-01 0.199E-01 RMM: 4 -0.322214316768E+03 0.28297E-03 -0.63678E-04 4733 0.528E-02 0.900E-02 RMM: 5 -0.322214278178E+03 0.38590E-04 -0.87063E-05 3628 0.245E-02 0.748E-02 RMM: 6 -0.322214247321E+03 0.30857E-04 -0.23562E-05 2650 0.151E-02 0.460E-02 RMM: 7 -0.322214251158E+03 -0.38376E-05 -0.22104E-05 2562 0.133E-02 1140 T= 5761. E= 0.67458837E+03 F= 0.63405474E+03 E0= 0.66284256E+03 EK= 0.46910E+02 SP= -.65E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323425541887E+03 -0.12113E+01 -0.12352E-01 8936 0.229E+01 0.193E-01 RMM: 2 -0.323438889114E+03 -0.13347E-01 -0.90176E-02 5545 0.643E-01 0.900E-01 RMM: 3 -0.323432562658E+03 0.63265E-02 -0.67081E-03 5516 0.176E-01 0.194E-01 RMM: 4 -0.323432306085E+03 0.25657E-03 -0.68223E-04 4743 0.551E-02 0.951E-02 RMM: 5 -0.323432264577E+03 0.41508E-04 -0.98991E-05 3736 0.254E-02 0.776E-02 RMM: 6 -0.323432229180E+03 0.35397E-04 -0.24922E-05 2699 0.156E-02 0.419E-02 RMM: 7 -0.323432230303E+03 -0.11227E-05 -0.16653E-05 2510 0.119E-02 1141 T= 5880. E= 0.67458387E+03 F= 0.63283676E+03 E0= 0.66164899E+03 EK= 0.47880E+02 SP= -.63E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324790490375E+03 -0.13583E+01 -0.12224E-01 8856 0.231E+01 0.237E-01 RMM: 2 -0.324808170770E+03 -0.17680E-01 -0.88109E-02 5468 0.658E-01 0.125E+00 RMM: 3 -0.324797344334E+03 0.10826E-01 -0.80511E-03 5436 0.202E-01 0.269E-01 RMM: 4 -0.324796826164E+03 0.51817E-03 -0.93411E-04 4673 0.648E-02 0.904E-02 RMM: 5 -0.324796797540E+03 0.28624E-04 -0.13228E-04 3858 0.292E-02 0.835E-02 RMM: 6 -0.324796753122E+03 0.44418E-04 -0.28384E-05 2804 0.165E-02 0.445E-02 RMM: 7 -0.324796754478E+03 -0.13557E-05 -0.20056E-05 2525 0.134E-02 1142 T= 6019. E= 0.67457853E+03 F= 0.63147223E+03 E0= 0.66030854E+03 EK= 0.49012E+02 SP= -.60E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326240530033E+03 -0.14438E+01 -0.12003E-01 8464 0.234E+01 0.211E-01 RMM: 2 -0.326255383415E+03 -0.14853E-01 -0.80652E-02 5450 0.630E-01 0.109E+00 RMM: 3 -0.326246758841E+03 0.86246E-02 -0.72917E-03 5398 0.191E-01 0.220E-01 RMM: 4 -0.326246441363E+03 0.31748E-03 -0.80290E-04 4736 0.587E-02 0.891E-02 RMM: 5 -0.326246408814E+03 0.32549E-04 -0.10951E-04 3799 0.268E-02 0.829E-02 RMM: 6 -0.326246367862E+03 0.40952E-04 -0.26514E-05 2730 0.160E-02 0.401E-02 RMM: 7 -0.326246368095E+03 -0.23293E-06 -0.13351E-05 2493 0.110E-02 1143 T= 6169. E= 0.67457197E+03 F= 0.63002262E+03 E0= 0.65888153E+03 EK= 0.50240E+02 SP= -.58E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327697821398E+03 -0.14515E+01 -0.11950E-01 8136 0.238E+01 0.215E-01 RMM: 2 -0.327712309201E+03 -0.14488E-01 -0.83413E-02 5270 0.657E-01 0.107E+00 RMM: 3 -0.327704396863E+03 0.79123E-02 -0.82042E-03 5487 0.199E-01 0.238E-01 RMM: 4 -0.327703994628E+03 0.40224E-03 -0.80983E-04 4701 0.599E-02 0.905E-02 RMM: 5 -0.327703960791E+03 0.33837E-04 -0.11979E-04 3802 0.286E-02 0.809E-02 RMM: 6 -0.327703918608E+03 0.42183E-04 -0.27999E-05 2767 0.163E-02 0.427E-02 RMM: 7 -0.327703915990E+03 0.26175E-05 -0.24239E-05 2536 0.147E-02 1144 T= 6322. E= 0.67456505E+03 F= 0.62856507E+03 E0= 0.65744420E+03 EK= 0.51481E+02 SP= -.56E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329080964460E+03 -0.13770E+01 -0.12051E-01 7832 0.241E+01 0.178E-01 RMM: 2 -0.329092462685E+03 -0.11498E-01 -0.74769E-02 5288 0.631E-01 0.883E-01 RMM: 3 -0.329086887189E+03 0.55755E-02 -0.68582E-03 5599 0.173E-01 0.165E-01 RMM: 4 -0.329086711922E+03 0.17527E-03 -0.59573E-04 4658 0.537E-02 0.106E-01 RMM: 5 -0.329086645252E+03 0.66670E-04 -0.96655E-05 3721 0.255E-02 0.705E-02 RMM: 6 -0.329086617352E+03 0.27900E-04 -0.24293E-05 2641 0.154E-02 0.401E-02 RMM: 7 -0.329086615524E+03 0.18283E-05 -0.17412E-05 2501 0.125E-02 1145 T= 6465. E= 0.67455837E+03 F= 0.62718237E+03 E0= 0.65607799E+03 EK= 0.52650E+02 SP= -.54E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330310893416E+03 -0.12243E+01 -0.12269E-01 7824 0.244E+01 0.177E-01 RMM: 2 -0.330321937597E+03 -0.11044E-01 -0.78367E-02 5195 0.652E-01 0.833E-01 RMM: 3 -0.330317226740E+03 0.47109E-02 -0.76807E-03 5663 0.179E-01 0.182E-01 RMM: 4 -0.330316976507E+03 0.25023E-03 -0.56200E-04 4683 0.514E-02 0.903E-02 RMM: 5 -0.330316922809E+03 0.53698E-04 -0.86133E-05 3617 0.250E-02 0.708E-02 RMM: 6 -0.330316896714E+03 0.26095E-04 -0.23252E-05 2585 0.148E-02 0.461E-02 RMM: 7 -0.330316893096E+03 0.36179E-05 -0.20246E-05 2508 0.135E-02 1146 T= 6590. E= 0.67455315E+03 F= 0.62595210E+03 E0= 0.65485905E+03 EK= 0.53665E+02 SP= -.52E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331330870120E+03 -0.10140E+01 -0.12188E-01 7816 0.246E+01 0.157E-01 RMM: 2 -0.331340611053E+03 -0.97409E-02 -0.77055E-02 5145 0.650E-01 0.698E-01 RMM: 3 -0.331337216443E+03 0.33946E-02 -0.77496E-03 5784 0.171E-01 0.141E-01 RMM: 4 -0.331337045436E+03 0.17101E-03 -0.46100E-04 4456 0.481E-02 0.100E-01 RMM: 5 -0.331336978096E+03 0.67340E-04 -0.73200E-05 3484 0.240E-02 0.648E-02 RMM: 6 -0.331336959654E+03 0.18443E-04 -0.22063E-05 2541 0.143E-02 1147 T= 6688. E= 0.67455018E+03 F= 0.62493203E+03 E0= 0.65384343E+03 EK= 0.54465E+02 SP= -.49E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332108267396E+03 -0.77129E+00 -0.12439E-01 7752 0.247E+01 0.223E-01 RMM: 2 -0.332126548553E+03 -0.18281E-01 -0.85223E-02 5120 0.686E-01 0.128E+00 RMM: 3 -0.332115162418E+03 0.11386E-01 -0.97337E-03 5433 0.215E-01 0.220E-01 RMM: 4 -0.332114818035E+03 0.34438E-03 -0.87812E-04 4749 0.612E-02 0.842E-02 RMM: 5 -0.332114772695E+03 0.45340E-04 -0.10562E-04 3805 0.264E-02 0.737E-02 RMM: 6 -0.332114746638E+03 0.26057E-04 -0.25260E-05 2589 0.151E-02 0.543E-02 RMM: 7 -0.332114749238E+03 -0.26005E-05 -0.22528E-05 2534 0.143E-02 1148 T= 6756. E= 0.67454881E+03 F= 0.62415424E+03 E0= 0.65306227E+03 EK= 0.55014E+02 SP= -.47E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332636161083E+03 -0.52141E+00 -0.11768E-01 7552 0.248E+01 0.218E-01 RMM: 2 -0.332651362601E+03 -0.15202E-01 -0.74297E-02 5185 0.645E-01 0.117E+00 RMM: 3 -0.332641884695E+03 0.94779E-02 -0.78219E-03 5437 0.197E-01 0.210E-01 RMM: 4 -0.332641628580E+03 0.25611E-03 -0.88822E-04 4642 0.649E-02 0.110E-01 RMM: 5 -0.332641601250E+03 0.27331E-04 -0.13118E-04 3824 0.290E-02 0.998E-02 RMM: 6 -0.332641535202E+03 0.66047E-04 -0.34214E-05 2963 0.185E-02 0.301E-02 RMM: 7 -0.332641536469E+03 -0.12668E-05 -0.14129E-05 2489 0.114E-02 1149 T= 6791. E= 0.67454859E+03 F= 0.62362745E+03 E0= 0.65252323E+03 EK= 0.55301E+02 SP= -.45E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332917815005E+03 -0.27628E+00 -0.11981E-01 7656 0.248E+01 0.181E-01 RMM: 2 -0.332931576921E+03 -0.13762E-01 -0.88302E-02 5073 0.685E-01 0.950E-01 RMM: 3 -0.332925089768E+03 0.64872E-02 -0.88514E-03 5603 0.193E-01 0.170E-01 RMM: 4 -0.332924876215E+03 0.21355E-03 -0.62954E-04 4698 0.547E-02 0.958E-02 RMM: 5 -0.332924811612E+03 0.64603E-04 -0.91876E-05 3699 0.250E-02 0.707E-02 RMM: 6 -0.332924784561E+03 0.27052E-04 -0.24542E-05 2587 0.150E-02 0.453E-02 RMM: 7 -0.332924780631E+03 0.39293E-05 -0.19131E-05 2518 0.129E-02 1150 T= 6795. E= 0.67454929E+03 F= 0.62334421E+03 E0= 0.65221791E+03 EK= 0.55334E+02 SP= -.43E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332977181235E+03 -0.52397E-01 -0.12469E-01 7688 0.247E+01 0.162E-01 RMM: 2 -0.332989024486E+03 -0.11843E-01 -0.87013E-02 5144 0.673E-01 0.801E-01 RMM: 3 -0.332984321868E+03 0.47026E-02 -0.82677E-03 5793 0.178E-01 0.131E-01 RMM: 4 -0.332984154188E+03 0.16768E-03 -0.50830E-04 4559 0.500E-02 0.933E-02 RMM: 5 -0.332984103953E+03 0.50235E-04 -0.67919E-05 3494 0.226E-02 0.616E-02 RMM: 6 -0.332984085143E+03 0.18810E-04 -0.19497E-05 2525 0.136E-02 1151 T= 6770. E= 0.67455073E+03 F= 0.62328490E+03 E0= 0.65212810E+03 EK= 0.55131E+02 SP= -.40E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332841692983E+03 0.14241E+00 -0.11903E-01 7840 0.246E+01 0.178E-01 RMM: 2 -0.332854568423E+03 -0.12875E-01 -0.91268E-02 5183 0.679E-01 0.865E-01 RMM: 3 -0.332849207541E+03 0.53609E-02 -0.87898E-03 5643 0.193E-01 0.162E-01 RMM: 4 -0.332849006452E+03 0.20109E-03 -0.61538E-04 4753 0.520E-02 0.994E-02 RMM: 5 -0.332848939651E+03 0.66800E-04 -0.73609E-05 3567 0.227E-02 0.688E-02 RMM: 6 -0.332848920353E+03 0.19299E-04 -0.20465E-05 2524 0.138E-02 1152 T= 6720. E= 0.67455357E+03 F= 0.62342007E+03 E0= 0.65222464E+03 EK= 0.54727E+02 SP= -.37E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332555691837E+03 0.29325E+00 -0.11957E-01 8056 0.245E+01 0.274E-01 RMM: 2 -0.332580356336E+03 -0.24664E-01 -0.97504E-02 5150 0.724E-01 0.156E+00 RMM: 3 -0.332563270199E+03 0.17086E-01 -0.12202E-02 5404 0.256E-01 0.251E-01 RMM: 4 -0.332562808425E+03 0.46177E-03 -0.12604E-03 4734 0.720E-02 0.856E-02 RMM: 5 -0.332562778165E+03 0.30260E-04 -0.13041E-04 4155 0.273E-02 0.764E-02 RMM: 6 -0.332562750800E+03 0.27365E-04 -0.20678E-05 2553 0.134E-02 0.570E-02 RMM: 7 -0.332562768561E+03 -0.17761E-04 -0.39751E-05 2994 0.188E-02 1153 T= 6651. E= 0.67455711E+03 F= 0.62370622E+03 E0= 0.65246688E+03 EK= 0.54166E+02 SP= -.35E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332178574389E+03 0.38418E+00 -0.12235E-01 8064 0.243E+01 0.289E-01 RMM: 2 -0.332202225929E+03 -0.23652E-01 -0.10599E-01 5052 0.737E-01 0.148E+00 RMM: 3 -0.332186626439E+03 0.15599E-01 -0.12747E-02 5439 0.259E-01 0.267E-01 RMM: 4 -0.332186274192E+03 0.35225E-03 -0.15651E-03 4797 0.869E-02 0.171E-01 RMM: 5 -0.332186249488E+03 0.24705E-04 -0.25862E-04 3894 0.409E-02 0.161E-01 RMM: 6 -0.332186070942E+03 0.17855E-03 -0.87635E-05 3613 0.276E-02 0.341E-02 RMM: 7 -0.332186073796E+03 -0.28546E-05 -0.20324E-05 2557 0.136E-02 1154 T= 6571. E= 0.67456180E+03 F= 0.62408292E+03 E0= 0.65279546E+03 EK= 0.53512E+02 SP= -.32E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331783702571E+03 0.40237E+00 -0.13186E-01 8448 0.241E+01 0.219E-01 RMM: 2 -0.331805253745E+03 -0.21551E-01 -0.12219E-01 5071 0.773E-01 0.125E+00 RMM: 3 -0.331793715314E+03 0.11538E-01 -0.12067E-02 5573 0.234E-01 0.209E-01 RMM: 4 -0.331793370419E+03 0.34489E-03 -0.97401E-04 4783 0.652E-02 0.926E-02 RMM: 5 -0.331793315290E+03 0.55129E-04 -0.11697E-04 4023 0.264E-02 0.753E-02 RMM: 6 -0.331793284737E+03 0.30553E-04 -0.23496E-05 2565 0.145E-02 0.506E-02 RMM: 7 -0.331793282982E+03 0.17550E-05 -0.24636E-05 2580 0.149E-02 1155 T= 6489. E= 0.67456709E+03 F= 0.62447571E+03 E0= 0.65313626E+03 EK= 0.52844E+02 SP= -.29E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331455369511E+03 0.33792E+00 -0.13647E-01 8376 0.239E+01 0.171E-01 RMM: 2 -0.331471376948E+03 -0.16007E-01 -0.12520E-01 5006 0.782E-01 0.819E-01 RMM: 3 -0.331465936798E+03 0.54401E-02 -0.12172E-02 5871 0.218E-01 0.161E-01 RMM: 4 -0.331465655519E+03 0.28128E-03 -0.67781E-04 4774 0.577E-02 0.898E-02 RMM: 5 -0.331465617003E+03 0.38516E-04 -0.91815E-05 3690 0.256E-02 0.707E-02 RMM: 6 -0.331465590649E+03 0.26353E-04 -0.23076E-05 2564 0.148E-02 0.388E-02 RMM: 7 -0.331465595051E+03 -0.44020E-05 -0.16828E-05 2512 0.128E-02 1156 T= 6415. E= 0.67457139E+03 F= 0.62480339E+03 E0= 0.65341045E+03 EK= 0.52244E+02 SP= -.26E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331263997472E+03 0.20159E+00 -0.14614E-01 8496 0.237E+01 0.172E-01 RMM: 2 -0.331281253787E+03 -0.17256E-01 -0.14367E-01 4976 0.840E-01 0.768E-01 RMM: 3 -0.331276166535E+03 0.50873E-02 -0.13680E-02 6077 0.224E-01 0.152E-01 RMM: 4 -0.331275870435E+03 0.29610E-03 -0.69987E-04 4687 0.635E-02 0.121E-01 RMM: 5 -0.331275779925E+03 0.90509E-04 -0.10965E-04 3693 0.288E-02 0.688E-02 RMM: 6 -0.331275754276E+03 0.25649E-04 -0.26139E-05 2580 0.155E-02 0.373E-02 RMM: 7 -0.331275753921E+03 0.35483E-06 -0.18676E-05 2506 0.132E-02 1157 T= 6359. E= 0.67457425E+03 F= 0.62499324E+03 E0= 0.65354486E+03 EK= 0.51786E+02 SP= -.24E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331265658224E+03 0.10096E-01 -0.14343E-01 8520 0.236E+01 0.159E-01 RMM: 2 -0.331280831798E+03 -0.15174E-01 -0.13137E-01 5155 0.781E-01 0.670E-01 RMM: 3 -0.331276534276E+03 0.42975E-02 -0.11372E-02 6002 0.209E-01 0.122E-01 RMM: 4 -0.331276343714E+03 0.19056E-03 -0.56812E-04 4708 0.530E-02 0.101E-01 RMM: 5 -0.331276280274E+03 0.63440E-04 -0.75744E-05 3482 0.247E-02 0.594E-02 RMM: 6 -0.331276265044E+03 0.15230E-04 -0.22736E-05 2549 0.145E-02 1158 T= 6327. E= 0.67457503E+03 F= 0.62499272E+03 E0= 0.65348921E+03 EK= 0.51523E+02 SP= -.21E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331479647964E+03 -0.20337E+00 -0.14178E-01 8552 0.236E+01 0.208E-01 RMM: 2 -0.331499377900E+03 -0.19730E-01 -0.13032E-01 5230 0.777E-01 0.107E+00 RMM: 3 -0.331490083370E+03 0.92945E-02 -0.11288E-02 5642 0.224E-01 0.182E-01 RMM: 4 -0.331489797635E+03 0.28574E-03 -0.85071E-04 4865 0.604E-02 0.838E-02 RMM: 5 -0.331489756404E+03 0.41231E-04 -0.94281E-05 3892 0.249E-02 0.697E-02 RMM: 6 -0.331489734325E+03 0.22080E-04 -0.21887E-05 2548 0.141E-02 0.494E-02 RMM: 7 -0.331489741735E+03 -0.74104E-05 -0.30004E-05 2677 0.162E-02 1159 T= 6321. E= 0.67457302E+03 F= 0.62477925E+03 E0= 0.65322158E+03 EK= 0.51478E+02 SP= -.18E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331894896559E+03 -0.40516E+00 -0.13896E-01 8656 0.237E+01 0.239E-01 RMM: 2 -0.331916706580E+03 -0.21810E-01 -0.12715E-01 5094 0.790E-01 0.123E+00 RMM: 3 -0.331905180335E+03 0.11526E-01 -0.12251E-02 5559 0.237E-01 0.224E-01 RMM: 4 -0.331904811409E+03 0.36893E-03 -0.11668E-03 4745 0.750E-02 0.118E-01 RMM: 5 -0.331904810651E+03 0.75797E-06 -0.18351E-04 3885 0.349E-02 1160 T= 6341. E= 0.67456979E+03 F= 0.62436418E+03 E0= 0.65275707E+03 EK= 0.51640E+02 SP= -.16E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332471420530E+03 -0.56661E+00 -0.14049E-01 8616 0.238E+01 0.167E-01 RMM: 2 -0.332488928894E+03 -0.17508E-01 -0.14030E-01 5177 0.815E-01 0.823E-01 RMM: 3 -0.332483327042E+03 0.56019E-02 -0.12870E-02 5873 0.220E-01 0.143E-01 RMM: 4 -0.332483064718E+03 0.26232E-03 -0.66611E-04 5205 0.529E-02 0.885E-02 RMM: 5 -0.332482997666E+03 0.67052E-04 -0.70083E-05 3428 0.237E-02 0.653E-02 RMM: 6 -0.332482988387E+03 0.92786E-05 -0.28114E-05 2600 0.158E-02 1161 T= 6382. E= 0.67456580E+03 F= 0.62378600E+03 E0= 0.65213266E+03 EK= 0.51969E+02 SP= -.13E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333161713209E+03 -0.67872E+00 -0.13567E-01 8296 0.240E+01 0.245E-01 RMM: 2 -0.333187599117E+03 -0.25886E-01 -0.13114E-01 4930 0.815E-01 0.143E+00 RMM: 3 -0.333172580416E+03 0.15019E-01 -0.14679E-02 5467 0.266E-01 0.214E-01 RMM: 4 -0.333172229537E+03 0.35088E-03 -0.13108E-03 5078 0.701E-02 0.811E-02 RMM: 5 -0.333172197482E+03 0.32056E-04 -0.12424E-04 3830 0.286E-02 0.757E-02 RMM: 6 -0.333172165190E+03 0.32291E-04 -0.25897E-05 2587 0.154E-02 0.410E-02 RMM: 7 -0.333172168564E+03 -0.33737E-05 -0.17333E-05 2506 0.134E-02 1162 T= 6436. E= 0.67456078E+03 F= 0.62309682E+03 E0= 0.65140385E+03 EK= 0.52410E+02 SP= -.11E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333909725982E+03 -0.73756E+00 -0.13354E-01 8232 0.242E+01 0.333E-01 RMM: 2 -0.333944326323E+03 -0.34600E-01 -0.13917E-01 4981 0.863E-01 0.186E+00 RMM: 3 -0.333920514458E+03 0.23812E-01 -0.17337E-02 5454 0.301E-01 0.316E-01 RMM: 4 -0.333919774455E+03 0.74000E-03 -0.19257E-03 4976 0.915E-02 0.111E-01 RMM: 5 -0.333919783398E+03 -0.89431E-05 -0.24493E-04 3896 0.362E-02 0.133E-01 RMM: 6 -0.333919662801E+03 0.12060E-03 -0.62193E-05 3367 0.230E-02 0.369E-02 RMM: 7 -0.333919661354E+03 0.14469E-05 -0.18881E-05 2527 0.130E-02 1163 T= 6497. E= 0.67455671E+03 F= 0.62234933E+03 E0= 0.65062372E+03 EK= 0.52911E+02 SP= -.82E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334673894038E+03 -0.75423E+00 -0.12859E-01 8120 0.243E+01 0.212E-01 RMM: 2 -0.334692687208E+03 -0.18793E-01 -0.12286E-01 5050 0.785E-01 0.108E+00 RMM: 3 -0.334684159225E+03 0.85280E-02 -0.12841E-02 5687 0.232E-01 0.177E-01 RMM: 4 -0.334683885626E+03 0.27360E-03 -0.90684E-04 4988 0.606E-02 0.964E-02 RMM: 5 -0.334683821996E+03 0.63629E-04 -0.10336E-04 3861 0.262E-02 0.707E-02 RMM: 6 -0.334683796017E+03 0.25979E-04 -0.24024E-05 2576 0.146E-02 0.498E-02 RMM: 7 -0.334683797035E+03 -0.10180E-05 -0.25683E-05 2596 0.153E-02 1164 T= 6561. E= 0.67455394E+03 F= 0.62158519E+03 E0= 0.64983303E+03 EK= 0.53427E+02 SP= -.58E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335428848686E+03 -0.74505E+00 -0.13527E-01 7704 0.244E+01 0.206E-01 RMM: 2 -0.335448333776E+03 -0.19485E-01 -0.15476E-01 4764 0.921E-01 0.907E-01 RMM: 3 -0.335442192132E+03 0.61416E-02 -0.17690E-02 5941 0.251E-01 0.161E-01 RMM: 4 -0.335441814988E+03 0.37714E-03 -0.92044E-04 4858 0.682E-02 0.117E-01 RMM: 5 -0.335441738009E+03 0.76979E-04 -0.13114E-04 3885 0.288E-02 0.761E-02 RMM: 6 -0.335441704486E+03 0.33523E-04 -0.28989E-05 2693 0.164E-02 0.368E-02 RMM: 7 -0.335441704763E+03 -0.27759E-06 -0.14966E-05 2494 0.125E-02 1165 T= 6623. E= 0.67455233E+03 F= 0.62082728E+03 E0= 0.64905294E+03 EK= 0.53934E+02 SP= -.33E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336181158298E+03 -0.73945E+00 -0.11998E-01 7800 0.245E+01 0.174E-01 RMM: 2 -0.336195014530E+03 -0.13856E-01 -0.11184E-01 5010 0.771E-01 0.766E-01 RMM: 3 -0.336190696037E+03 0.43185E-02 -0.11863E-02 5920 0.205E-01 0.135E-01 RMM: 4 -0.336190465080E+03 0.23096E-03 -0.59085E-04 4711 0.551E-02 0.118E-01 RMM: 5 -0.336190364210E+03 0.10087E-03 -0.87878E-05 3566 0.254E-02 0.634E-02 RMM: 6 -0.336190346135E+03 0.18075E-04 -0.23854E-05 2557 0.146E-02 1166 T= 6683. E= 0.67455198E+03 F= 0.62007864E+03 E0= 0.64828567E+03 EK= 0.54426E+02 SP= -.82E-01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336930859836E+03 -0.74050E+00 -0.11679E-01 7480 0.246E+01 0.223E-01 RMM: 2 -0.336949364732E+03 -0.18505E-01 -0.10863E-01 4871 0.782E-01 0.116E+00 RMM: 3 -0.336940056999E+03 0.93077E-02 -0.13037E-02 5568 0.239E-01 0.207E-01 RMM: 4 -0.336939704105E+03 0.35289E-03 -0.96310E-04 4844 0.626E-02 0.830E-02 RMM: 5 -0.336939661248E+03 0.42857E-04 -0.10980E-04 3825 0.275E-02 0.718E-02 RMM: 6 -0.336939636261E+03 0.24987E-04 -0.24939E-05 2587 0.146E-02 0.546E-02 RMM: 7 -0.336939645261E+03 -0.90003E-05 -0.30959E-05 2672 0.170E-02 1167 T= 6743. E= 0.67455163E+03 F= 0.61932934E+03 E0= 0.64751889E+03 EK= 0.54909E+02 SP= 0.18E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337693384342E+03 -0.75375E+00 -0.11712E-01 7464 0.247E+01 0.245E-01 RMM: 2 -0.337710481591E+03 -0.17097E-01 -0.99950E-02 4829 0.777E-01 0.114E+00 RMM: 3 -0.337701496517E+03 0.89851E-02 -0.12297E-02 5515 0.236E-01 0.215E-01 RMM: 4 -0.337701241102E+03 0.25542E-03 -0.11693E-03 4704 0.759E-02 0.143E-01 RMM: 5 -0.337701170919E+03 0.70182E-04 -0.18335E-04 3869 0.335E-02 0.110E-01 RMM: 6 -0.337701090538E+03 0.80381E-04 -0.47808E-05 3174 0.207E-02 0.280E-02 RMM: 7 -0.337701092392E+03 -0.18535E-05 -0.16903E-05 2501 0.129E-02 1168 T= 6802. E= 0.67455093E+03 F= 0.61856790E+03 E0= 0.64674115E+03 EK= 0.55391E+02 SP= 0.44E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338468767545E+03 -0.76768E+00 -0.11334E-01 7440 0.247E+01 0.200E-01 RMM: 2 -0.338483358039E+03 -0.14590E-01 -0.85411E-02 5035 0.700E-01 0.104E+00 RMM: 3 -0.338475742587E+03 0.76155E-02 -0.92765E-03 5496 0.204E-01 0.172E-01 RMM: 4 -0.338475520714E+03 0.22187E-03 -0.71211E-04 4707 0.562E-02 0.886E-02 RMM: 5 -0.338475466933E+03 0.53781E-04 -0.96249E-05 3764 0.258E-02 0.677E-02 RMM: 6 -0.338475438176E+03 0.28757E-04 -0.24880E-05 2629 0.150E-02 0.428E-02 RMM: 7 -0.338475435470E+03 0.27059E-05 -0.20306E-05 2511 0.136E-02 1169 T= 6861. E= 0.67454913E+03 F= 0.61779355E+03 E0= 0.64594874E+03 EK= 0.55871E+02 SP= 0.72E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339236552582E+03 -0.76111E+00 -0.11592E-01 7656 0.248E+01 0.167E-01 RMM: 2 -0.339246989133E+03 -0.10437E-01 -0.81868E-02 4844 0.687E-01 0.701E-01 RMM: 3 -0.339243513956E+03 0.34752E-02 -0.96418E-03 5712 0.195E-01 0.137E-01 RMM: 4 -0.339243331182E+03 0.18277E-03 -0.56416E-04 4693 0.525E-02 0.893E-02 RMM: 5 -0.339243282886E+03 0.48297E-04 -0.78615E-05 3557 0.248E-02 0.575E-02 RMM: 6 -0.339243265413E+03 0.17473E-04 -0.20271E-05 2536 0.136E-02 1170 T= 6917. E= 0.67454639E+03 F= 0.61702572E+03 E0= 0.64516187E+03 EK= 0.56326E+02 SP= 0.10E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339960175062E+03 -0.71689E+00 -0.12422E-01 7432 0.250E+01 0.175E-01 RMM: 2 -0.339973535878E+03 -0.13361E-01 -0.98631E-02 4956 0.731E-01 0.821E-01 RMM: 3 -0.339968629781E+03 0.49061E-02 -0.10966E-02 5745 0.202E-01 0.170E-01 RMM: 4 -0.339968319910E+03 0.30987E-03 -0.62458E-04 4712 0.551E-02 0.881E-02 RMM: 5 -0.339968265474E+03 0.54435E-04 -0.78295E-05 3637 0.236E-02 0.673E-02 RMM: 6 -0.339968246297E+03 0.19178E-04 -0.20877E-05 2522 0.137E-02 1171 T= 6965. E= 0.67454256E+03 F= 0.61630074E+03 E0= 0.64441603E+03 EK= 0.56718E+02 SP= 0.13E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340593839830E+03 -0.62557E+00 -0.12697E-01 7616 0.251E+01 0.285E-01 RMM: 2 -0.340617402090E+03 -0.23562E-01 -0.10159E-01 4895 0.767E-01 0.149E+00 RMM: 3 -0.340602047914E+03 0.15354E-01 -0.14082E-02 5408 0.274E-01 0.277E-01 RMM: 4 -0.340601482752E+03 0.56516E-03 -0.14204E-03 4764 0.760E-02 0.878E-02 RMM: 5 -0.340601444314E+03 0.38438E-04 -0.15151E-04 4086 0.296E-02 0.765E-02 RMM: 6 -0.340601414515E+03 0.29799E-04 -0.23491E-05 2568 0.139E-02 0.587E-02 RMM: 7 -0.340601420894E+03 -0.63795E-05 -0.28927E-05 2695 0.168E-02 1172 T= 6999. E= 0.67453842E+03 F= 0.61566757E+03 E0= 0.64376120E+03 EK= 0.56996E+02 SP= 0.16E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341081416603E+03 -0.48000E+00 -0.12780E-01 8048 0.252E+01 0.283E-01 RMM: 2 -0.341104089478E+03 -0.22673E-01 -0.11627E-01 4819 0.792E-01 0.137E+00 RMM: 3 -0.341090670148E+03 0.13419E-01 -0.14474E-02 5421 0.270E-01 0.264E-01 RMM: 4 -0.341090257233E+03 0.41291E-03 -0.15891E-03 4827 0.850E-02 0.145E-01 RMM: 5 -0.341090245577E+03 0.11656E-04 -0.26208E-04 3932 0.401E-02 0.144E-01 RMM: 6 -0.341090106860E+03 0.13872E-03 -0.85772E-05 3602 0.270E-02 0.399E-02 RMM: 7 -0.341090103861E+03 0.29992E-05 -0.19121E-05 2547 0.133E-02 1173 T= 7013. E= 0.67453528E+03 F= 0.61517889E+03 E0= 0.64325003E+03 EK= 0.57110E+02 SP= 0.20E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341376074801E+03 -0.28597E+00 -0.14209E-01 7920 0.252E+01 0.236E-01 RMM: 2 -0.341399164991E+03 -0.23090E-01 -0.14644E-01 4823 0.874E-01 0.120E+00 RMM: 3 -0.341388623054E+03 0.10542E-01 -0.16902E-02 5647 0.263E-01 0.200E-01 RMM: 4 -0.341388205780E+03 0.41727E-03 -0.11380E-03 5010 0.687E-02 0.994E-02 RMM: 5 -0.341388135191E+03 0.70589E-04 -0.13510E-04 3950 0.302E-02 0.712E-02 RMM: 6 -0.341388107503E+03 0.27688E-04 -0.27649E-05 2645 0.154E-02 0.538E-02 RMM: 7 -0.341388107953E+03 -0.45035E-06 -0.31451E-05 2650 0.160E-02 1174 T= 7001. E= 0.67453301E+03 F= 0.61488088E+03 E0= 0.64293011E+03 EK= 0.57012E+02 SP= 0.24E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341452951100E+03 -0.64844E-01 -0.14251E-01 8376 0.252E+01 0.217E-01 RMM: 2 -0.341472074716E+03 -0.19124E-01 -0.13089E-01 4917 0.815E-01 0.104E+00 RMM: 3 -0.341463991677E+03 0.80830E-02 -0.13889E-02 5673 0.242E-01 0.204E-01 RMM: 4 -0.341463625714E+03 0.36596E-03 -0.94011E-04 4952 0.639E-02 0.896E-02 RMM: 5 -0.341463587836E+03 0.37878E-04 -0.12082E-04 3807 0.295E-02 0.770E-02 RMM: 6 -0.341463553143E+03 0.34693E-04 -0.29107E-05 2783 0.162E-02 0.425E-02 RMM: 7 -0.341463558185E+03 -0.50424E-05 -0.22471E-05 2576 0.146E-02 1175 T= 6960. E= 0.67453231E+03 F= 0.61480543E+03 E0= 0.64283501E+03 EK= 0.56675E+02 SP= 0.27E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341291487298E+03 0.17207E+00 -0.16151E-01 8376 0.250E+01 0.198E-01 RMM: 2 -0.341312203651E+03 -0.20716E-01 -0.16575E-01 4936 0.907E-01 0.893E-01 RMM: 3 -0.341305881768E+03 0.63219E-02 -0.16832E-02 5976 0.245E-01 0.153E-01 RMM: 4 -0.341305552603E+03 0.32917E-03 -0.86332E-04 4787 0.663E-02 0.130E-01 RMM: 5 -0.341305450598E+03 0.10200E-03 -0.12725E-04 3799 0.308E-02 0.712E-02 RMM: 6 -0.341305422231E+03 0.28367E-04 -0.31536E-05 2786 0.169E-02 0.426E-02 RMM: 7 -0.341305424800E+03 -0.25693E-05 -0.24643E-05 2588 0.148E-02 1176 T= 6888. E= 0.67453303E+03 F= 0.61496356E+03 E0= 0.64297661E+03 EK= 0.56089E+02 SP= 0.31E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340906856816E+03 0.39857E+00 -0.17222E-01 8560 0.248E+01 0.207E-01 RMM: 2 -0.340928486185E+03 -0.21629E-01 -0.17289E-01 4968 0.915E-01 0.905E-01 RMM: 3 -0.340921778789E+03 0.67074E-02 -0.16508E-02 5836 0.252E-01 0.191E-01 RMM: 4 -0.340921392993E+03 0.38580E-03 -0.92034E-04 4901 0.663E-02 0.103E-01 RMM: 5 -0.340921336111E+03 0.56882E-04 -0.13081E-04 3876 0.298E-02 0.806E-02 RMM: 6 -0.340921299365E+03 0.36746E-04 -0.34000E-05 2891 0.175E-02 0.444E-02 RMM: 7 -0.340921305443E+03 -0.60784E-05 -0.34191E-05 2654 0.173E-02 1177 T= 6787. E= 0.67453502E+03 F= 0.61534768E+03 E0= 0.64334912E+03 EK= 0.55269E+02 SP= 0.36E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340321654288E+03 0.59965E+00 -0.18241E-01 8880 0.245E+01 0.177E-01 RMM: 2 -0.340341392354E+03 -0.19738E-01 -0.16990E-01 5164 0.875E-01 0.752E-01 RMM: 3 -0.340336172333E+03 0.52200E-02 -0.14012E-02 6093 0.224E-01 0.146E-01 RMM: 4 -0.340335886313E+03 0.28602E-03 -0.71363E-04 4724 0.627E-02 0.119E-01 RMM: 5 -0.340335796275E+03 0.90039E-04 -0.11096E-04 3714 0.287E-02 0.627E-02 RMM: 6 -0.340335778825E+03 0.17450E-04 -0.25462E-05 2616 0.153E-02 1178 T= 6661. E= 0.67453800E+03 F= 0.61593321E+03 E0= 0.64392809E+03 EK= 0.54244E+02 SP= 0.40E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339570794287E+03 0.76500E+00 -0.19362E-01 8872 0.242E+01 0.212E-01 RMM: 2 -0.339595618129E+03 -0.24824E-01 -0.17551E-01 5468 0.843E-01 0.110E+00 RMM: 3 -0.339585355621E+03 0.10263E-01 -0.12475E-02 5503 0.236E-01 0.213E-01 RMM: 4 -0.339585019101E+03 0.33652E-03 -0.10139E-03 4871 0.656E-02 0.945E-02 RMM: 5 -0.339584961944E+03 0.57157E-04 -0.11621E-04 4132 0.266E-02 0.734E-02 RMM: 6 -0.339584941381E+03 0.20563E-04 -0.25392E-05 2605 0.149E-02 0.630E-02 RMM: 7 -0.339584960633E+03 -0.19252E-04 -0.60470E-05 3371 0.211E-02 1179 T= 6515. E= 0.67454161E+03 F= 0.61668403E+03 E0= 0.64467795E+03 EK= 0.53058E+02 SP= 0.44E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338701971824E+03 0.88297E+00 -0.20516E-01 8840 0.238E+01 0.255E-01 RMM: 2 -0.338729178327E+03 -0.27207E-01 -0.18197E-01 5371 0.861E-01 0.124E+00 RMM: 3 -0.338716758166E+03 0.12420E-01 -0.12747E-02 5507 0.246E-01 0.245E-01 RMM: 4 -0.338716383271E+03 0.37490E-03 -0.13322E-03 4798 0.801E-02 0.131E-01 RMM: 5 -0.338716349331E+03 0.33940E-04 -0.20380E-04 3909 0.348E-02 0.119E-01 RMM: 6 -0.338716255308E+03 0.94023E-04 -0.57652E-05 3308 0.226E-02 0.325E-02 RMM: 7 -0.338716259865E+03 -0.45570E-05 -0.17467E-05 2526 0.127E-02 1180 T= 6356. E= 0.67454589E+03 F= 0.61755273E+03 E0= 0.64555028E+03 EK= 0.51763E+02 SP= 0.49E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337768841034E+03 0.94741E+00 -0.23549E-01 8920 0.233E+01 0.225E-01 RMM: 2 -0.337797324023E+03 -0.28483E-01 -0.21122E-01 5458 0.928E-01 0.111E+00 RMM: 3 -0.337786600167E+03 0.10724E-01 -0.14703E-02 5686 0.246E-01 0.186E-01 RMM: 4 -0.337786283775E+03 0.31639E-03 -0.10522E-03 4816 0.693E-02 0.119E-01 RMM: 5 -0.337786205183E+03 0.78593E-04 -0.15048E-04 4007 0.304E-02 0.836E-02 RMM: 6 -0.337786165346E+03 0.39837E-04 -0.34320E-05 2875 0.174E-02 0.490E-02 RMM: 7 -0.337786177068E+03 -0.11722E-04 -0.38710E-05 2841 0.178E-02 1181 T= 6192. E= 0.67455053E+03 F= 0.61848281E+03 E0= 0.64648865E+03 EK= 0.50424E+02 SP= 0.53E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336841534722E+03 0.94463E+00 -0.24438E-01 8920 0.229E+01 0.190E-01 RMM: 2 -0.336863545531E+03 -0.22011E-01 -0.19440E-01 5864 0.858E-01 0.728E-01 RMM: 3 -0.336857929496E+03 0.56160E-02 -0.10133E-02 5729 0.208E-01 0.143E-01 RMM: 4 -0.336857812548E+03 0.11695E-03 -0.72611E-04 4896 0.560E-02 0.128E-01 RMM: 5 -0.336857714455E+03 0.98093E-04 -0.10571E-04 3764 0.264E-02 0.736E-02 RMM: 6 -0.336857686352E+03 0.28103E-04 -0.29097E-05 2821 0.164E-02 0.422E-02 RMM: 7 -0.336857696560E+03 -0.10208E-04 -0.27191E-05 2594 0.154E-02 1182 T= 6030. E= 0.67455473E+03 F= 0.61941129E+03 E0= 0.64742801E+03 EK= 0.49108E+02 SP= 0.57E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335978448152E+03 0.87924E+00 -0.26620E-01 9000 0.224E+01 0.197E-01 RMM: 2 -0.336003305657E+03 -0.24858E-01 -0.21235E-01 5575 0.914E-01 0.819E-01 RMM: 3 -0.335996629393E+03 0.66763E-02 -0.13297E-02 5882 0.227E-01 0.168E-01 RMM: 4 -0.335996378600E+03 0.25079E-03 -0.88942E-04 4781 0.663E-02 0.134E-01 RMM: 5 -0.335996266511E+03 0.11209E-03 -0.14447E-04 3885 0.301E-02 0.769E-02 RMM: 6 -0.335996236083E+03 0.30428E-04 -0.29838E-05 2759 0.165E-02 0.433E-02 RMM: 7 -0.335996244572E+03 -0.84894E-05 -0.30353E-05 2610 0.162E-02 1183 T= 5880. E= 0.67455893E+03 F= 0.62027274E+03 E0= 0.64830246E+03 EK= 0.47885E+02 SP= 0.61E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335249835100E+03 0.74640E+00 -0.26253E-01 8984 0.221E+01 0.187E-01 RMM: 2 -0.335271179675E+03 -0.21345E-01 -0.19128E-01 6020 0.842E-01 0.698E-01 RMM: 3 -0.335266082634E+03 0.50970E-02 -0.91160E-03 5879 0.195E-01 0.131E-01 RMM: 4 -0.335265987853E+03 0.94782E-04 -0.64094E-04 4837 0.528E-02 0.129E-01 RMM: 5 -0.335265886599E+03 0.10125E-03 -0.96436E-05 3669 0.254E-02 0.725E-02 RMM: 6 -0.335265861697E+03 0.24902E-04 -0.29402E-05 2799 0.164E-02 0.449E-02 RMM: 7 -0.335265869753E+03 -0.80558E-05 -0.38467E-05 2741 0.175E-02 1184 T= 5750. E= 0.67456252E+03 F= 0.62100312E+03 E0= 0.64904662E+03 EK= 0.46822E+02 SP= 0.65E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334709433221E+03 0.55643E+00 -0.25379E-01 8968 0.218E+01 0.183E-01 RMM: 2 -0.334730638673E+03 -0.21205E-01 -0.18329E-01 6080 0.826E-01 0.749E-01 RMM: 3 -0.334725115245E+03 0.55234E-02 -0.87315E-03 5907 0.187E-01 0.142E-01 RMM: 4 -0.334724981643E+03 0.13360E-03 -0.65376E-04 4723 0.560E-02 0.128E-01 RMM: 5 -0.334724881408E+03 0.10024E-03 -0.10929E-04 3796 0.264E-02 0.727E-02 RMM: 6 -0.334724854797E+03 0.26611E-04 -0.25366E-05 2676 0.153E-02 0.423E-02 RMM: 7 -0.334724863919E+03 -0.91219E-05 -0.30315E-05 2631 0.157E-02 1185 T= 5646. E= 0.67456501E+03 F= 0.62154413E+03 E0= 0.64960156E+03 EK= 0.45980E+02 SP= 0.68E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334406135457E+03 0.31872E+00 -0.23733E-01 8992 0.216E+01 0.161E-01 RMM: 2 -0.334424042575E+03 -0.17907E-01 -0.16583E-01 6251 0.779E-01 0.577E-01 RMM: 3 -0.334420449343E+03 0.35932E-02 -0.68463E-03 6005 0.168E-01 0.125E-01 RMM: 4 -0.334420353612E+03 0.95732E-04 -0.49385E-04 4371 0.469E-02 0.115E-01 RMM: 5 -0.334420266125E+03 0.87486E-04 -0.77818E-05 3518 0.249E-02 0.623E-02 RMM: 6 -0.334420252761E+03 0.13364E-04 -0.24541E-05 2579 0.149E-02 1186 T= 5576. E= 0.67456677E+03 F= 0.62184874E+03 E0= 0.64992058E+03 EK= 0.45406E+02 SP= 0.71E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334373735239E+03 0.46531E-01 -0.21941E-01 8912 0.215E+01 0.223E-01 RMM: 2 -0.334398587513E+03 -0.24852E-01 -0.16308E-01 5942 0.798E-01 0.119E+00 RMM: 3 -0.334387680069E+03 0.10907E-01 -0.98807E-03 5457 0.220E-01 0.197E-01 RMM: 4 -0.334387419458E+03 0.26061E-03 -0.94294E-04 4990 0.596E-02 0.921E-02 RMM: 5 -0.334387376403E+03 0.43054E-04 -0.98022E-05 3862 0.249E-02 0.755E-02 RMM: 6 -0.334387351713E+03 0.24691E-04 -0.27013E-05 2652 0.154E-02 0.576E-02 RMM: 7 -0.334387380289E+03 -0.28576E-04 -0.53774E-05 3283 0.202E-02 0.903E-02 RMM: 8 -0.334387331003E+03 0.49286E-04 -0.68966E-05 3566 0.200E-02 0.305E-02 RMM: 9 -0.334387327303E+03 0.37001E-05 -0.12433E-05 2490 0.993E-03 1187 T= 5543. E= 0.67456765E+03 F= 0.62188166E+03 E0= 0.64996815E+03 EK= 0.45136E+02 SP= 0.74E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334635866495E+03 -0.24854E+00 -0.19118E-01 8880 0.216E+01 0.261E-01 RMM: 2 -0.334661461191E+03 -0.25595E-01 -0.14973E-01 5675 0.778E-01 0.132E+00 RMM: 3 -0.334648260423E+03 0.13201E-01 -0.10383E-02 5437 0.228E-01 0.236E-01 RMM: 4 -0.334647933545E+03 0.32688E-03 -0.12384E-03 4672 0.748E-02 0.125E-01 RMM: 5 -0.334647917003E+03 0.16541E-04 -0.18194E-04 3912 0.325E-02 1188 T= 5549. E= 0.67456759E+03 F= 0.62162107E+03 E0= 0.64972353E+03 EK= 0.45190E+02 SP= 0.77E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335187996994E+03 -0.54006E+00 -0.16342E-01 8960 0.217E+01 0.164E-01 RMM: 2 -0.335203790527E+03 -0.15794E-01 -0.13247E-01 5999 0.736E-01 0.717E-01 RMM: 3 -0.335199461173E+03 0.43294E-02 -0.69697E-03 5681 0.173E-01 0.181E-01 RMM: 4 -0.335199237214E+03 0.22396E-03 -0.52640E-04 4600 0.456E-02 0.913E-02 RMM: 5 -0.335199189785E+03 0.47429E-04 -0.63069E-05 3323 0.209E-02 0.782E-02 RMM: 6 -0.335199227326E+03 -0.37541E-04 -0.74937E-05 3598 0.224E-02 0.115E-01 RMM: 7 -0.335199222861E+03 0.44647E-05 -0.14095E-04 3887 0.281E-02 1189 T= 5595. E= 0.67456453E+03 F= 0.62106977E+03 E0= 0.64919111E+03 EK= 0.45562E+02 SP= 0.79E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335991758119E+03 -0.79253E+00 -0.13682E-01 8864 0.220E+01 0.190E-01 RMM: 2 -0.336005843289E+03 -0.14085E-01 -0.12446E-01 5272 0.729E-01 0.635E-01 RMM: 3 -0.336002094645E+03 0.37486E-02 -0.89934E-03 5921 0.188E-01 0.121E-01 RMM: 4 -0.336002155894E+03 -0.61249E-04 -0.66995E-04 4669 0.588E-02 0.201E-01 RMM: 5 -0.336001902335E+03 0.25356E-03 -0.15589E-04 3866 0.333E-02 0.614E-02 RMM: 6 -0.336001880828E+03 0.21508E-04 -0.25065E-05 2690 0.156E-02 0.262E-02 RMM: 7 -0.336001889406E+03 -0.85782E-05 -0.14214E-05 2505 0.114E-02 1190 T= 5674. E= 0.67455748E+03 F= 0.62026710E+03 E0= 0.64840800E+03 EK= 0.46210E+02 SP= 0.80E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336959852221E+03 -0.95797E+00 -0.12418E-01 8544 0.224E+01 0.154E-01 RMM: 2 -0.336974409225E+03 -0.14557E-01 -0.13047E-01 5068 0.791E-01 0.604E-01 RMM: 3 -0.336971331889E+03 0.30773E-02 -0.12275E-02 6262 0.201E-01 0.127E-01 RMM: 4 -0.336971039504E+03 0.29238E-03 -0.51279E-04 4653 0.515E-02 0.891E-02 RMM: 5 -0.336970983350E+03 0.56154E-04 -0.75864E-05 3489 0.252E-02 0.619E-02 RMM: 6 -0.336970973441E+03 0.99083E-05 -0.27574E-05 2582 0.155E-02 1191 T= 5777. E= 0.67454877E+03 F= 0.61929802E+03 E0= 0.64746053E+03 EK= 0.47048E+02 SP= 0.82E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337974447119E+03 -0.10035E+01 -0.12337E-01 8016 0.228E+01 0.235E-01 RMM: 2 -0.337998713479E+03 -0.24266E-01 -0.13388E-01 4912 0.836E-01 0.133E+00 RMM: 3 -0.337986024587E+03 0.12689E-01 -0.14119E-02 5501 0.255E-01 0.233E-01 RMM: 4 -0.337985599643E+03 0.42494E-03 -0.12155E-03 4842 0.713E-02 0.884E-02 RMM: 5 -0.337985565157E+03 0.34486E-04 -0.15110E-04 3988 0.309E-02 0.730E-02 RMM: 6 -0.337985540029E+03 0.25128E-04 -0.30568E-05 2703 0.162E-02 0.543E-02 RMM: 7 -0.337985556191E+03 -0.16162E-04 -0.40464E-05 3011 0.192E-02 1192 T= 5888. E= 0.67453868E+03 F= 0.61828343E+03 E0= 0.64647017E+03 EK= 0.47952E+02 SP= 0.83E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338902037433E+03 -0.91650E+00 -0.11887E-01 8336 0.232E+01 0.249E-01 RMM: 2 -0.338923766545E+03 -0.21729E-01 -0.11400E-01 4967 0.773E-01 0.132E+00 RMM: 3 -0.338911400979E+03 0.12366E-01 -0.12500E-02 5489 0.245E-01 0.225E-01 RMM: 4 -0.338911065476E+03 0.33550E-03 -0.12212E-03 4708 0.751E-02 0.120E-01 RMM: 5 -0.338911025076E+03 0.40400E-04 -0.18270E-04 3881 0.347E-02 0.106E-01 RMM: 6 -0.338910953160E+03 0.71916E-04 -0.49377E-05 3168 0.210E-02 0.379E-02 RMM: 7 -0.338910958507E+03 -0.53467E-05 -0.21810E-05 2551 0.143E-02 1193 T= 5991. E= 0.67453011E+03 F= 0.61735803E+03 E0= 0.64556979E+03 EK= 0.48788E+02 SP= 0.84E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339615332847E+03 -0.70438E+00 -0.12920E-01 8168 0.235E+01 0.206E-01 RMM: 2 -0.339634130121E+03 -0.18797E-01 -0.12778E-01 4962 0.811E-01 0.103E+00 RMM: 3 -0.339626389745E+03 0.77404E-02 -0.13608E-02 5730 0.232E-01 0.193E-01 RMM: 4 -0.339626020588E+03 0.36916E-03 -0.86425E-04 4835 0.622E-02 0.949E-02 RMM: 5 -0.339625974221E+03 0.46368E-04 -0.11552E-04 3827 0.285E-02 0.739E-02 RMM: 6 -0.339625952921E+03 0.21300E-04 -0.28330E-05 2645 0.159E-02 0.581E-02 RMM: 7 -0.339625961543E+03 -0.86219E-05 -0.29089E-05 2617 0.159E-02 1194 T= 6070. E= 0.67452399E+03 F= 0.61664303E+03 E0= 0.64488179E+03 EK= 0.49434E+02 SP= 0.84E+01 SK= 0.73E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340030462294E+03 -0.40451E+00 -0.12849E-01 8336 0.237E+01 0.160E-01 RMM: 2 -0.340043881401E+03 -0.13419E-01 -0.11967E-01 5014 0.775E-01 0.615E-01 RMM: 3 -0.340040860199E+03 0.30212E-02 -0.11857E-02 6099 0.201E-01 0.126E-01 RMM: 4 -0.340040637804E+03 0.22239E-03 -0.55783E-04 4677 0.542E-02 0.121E-01 RMM: 5 -0.340040544550E+03 0.93254E-04 -0.89785E-05 3588 0.279E-02 0.558E-02 RMM: 6 -0.340040534536E+03 0.10014E-04 -0.21312E-05 2536 0.134E-02 1195 T= 6115. E= 0.67452053E+03 F= 0.61622845E+03 E0= 0.64449552E+03 EK= 0.49796E+02 SP= 0.85E+01 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340094600544E+03 -0.54056E-01 -0.12659E-01 8592 0.237E+01 0.164E-01 RMM: 2 -0.340110129252E+03 -0.15529E-01 -0.11620E-01 5098 0.739E-01 0.839E-01 RMM: 3 -0.340104533556E+03 0.55957E-02 -0.10546E-02 5703 0.203E-01 0.146E-01 RMM: 4 -0.340104324197E+03 0.20936E-03 -0.62395E-04 4797 0.527E-02 0.973E-02 RMM: 5 -0.340104262727E+03 0.61470E-04 -0.73061E-05 3545 0.243E-02 0.679E-02 RMM: 6 -0.340104254522E+03 0.82047E-05 -0.21751E-05 2537 0.137E-02 1196 T= 6118. E= 0.67451948E+03 F= 0.61616473E+03 E0= 0.64446035E+03 EK= 0.49823E+02 SP= 0.85E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.339795533445E+03 0.30873E+00 -0.12227E-01 8672 0.237E+01 0.291E-01 RMM: 2 -0.339821228425E+03 -0.25695E-01 -0.10702E-01 5145 0.724E-01 0.156E+00 RMM: 3 -0.339803810747E+03 0.17418E-01 -0.12727E-02 5385 0.263E-01 0.275E-01 RMM: 4 -0.339803268630E+03 0.54212E-03 -0.13775E-03 4781 0.744E-02 0.829E-02 RMM: 5 -0.339803246817E+03 0.21813E-04 -0.14200E-04 3920 0.303E-02 0.864E-02 RMM: 6 -0.339803204563E+03 0.42254E-04 -0.28840E-05 2636 0.162E-02 0.492E-02 RMM: 7 -0.339803212635E+03 -0.80717E-05 -0.22990E-05 2561 0.150E-02 1197 T= 6079. E= 0.67452072E+03 F= 0.61646578E+03 E0= 0.64479152E+03 EK= 0.49502E+02 SP= 0.86E+01 SK= 0.44E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.339150396902E+03 0.65281E+00 -0.12263E-01 8544 0.235E+01 0.252E-01 RMM: 2 -0.339171555216E+03 -0.21158E-01 -0.11856E-01 5143 0.744E-01 0.125E+00 RMM: 3 -0.339160040736E+03 0.11514E-01 -0.12258E-02 5439 0.243E-01 0.240E-01 RMM: 4 -0.339159666114E+03 0.37462E-03 -0.12318E-03 4778 0.728E-02 0.117E-01 RMM: 5 -0.339159624880E+03 0.41234E-04 -0.16885E-04 3892 0.334E-02 0.104E-01 RMM: 6 -0.339159553110E+03 0.71771E-04 -0.42425E-05 3065 0.195E-02 0.370E-02 RMM: 7 -0.339159558466E+03 -0.53561E-05 -0.21584E-05 2549 0.139E-02 1198 T= 6000. E= 0.67452529E+03 F= 0.61710943E+03 E0= 0.64546500E+03 EK= 0.48857E+02 SP= 0.86E+01 SK= 0.16E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.338224302875E+03 0.93525E+00 -0.13157E-01 8352 0.233E+01 0.203E-01 RMM: 2 -0.338242084842E+03 -0.17782E-01 -0.12489E-01 5050 0.779E-01 0.979E-01 RMM: 3 -0.338234869562E+03 0.72153E-02 -0.12309E-02 5717 0.224E-01 0.195E-01 RMM: 4 -0.338234501909E+03 0.36765E-03 -0.82530E-04 4850 0.609E-02 0.826E-02 RMM: 5 -0.338234466051E+03 0.35857E-04 -0.10389E-04 3786 0.269E-02 0.717E-02 RMM: 6 -0.338234438212E+03 0.27839E-04 -0.26010E-05 2593 0.152E-02 0.462E-02 RMM: 7 -0.338234445340E+03 -0.71277E-05 -0.29140E-05 2629 0.155E-02 1199 T= 5888. E= 0.67453228E+03 F= 0.61803454E+03 E0= 0.64641970E+03 EK= 0.47950E+02 SP= 0.85E+01 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337115829668E+03 0.11186E+01 -0.12495E-01 8408 0.229E+01 0.162E-01 RMM: 2 -0.337128795322E+03 -0.12966E-01 -0.10601E-01 5265 0.706E-01 0.699E-01 RMM: 3 -0.337124723040E+03 0.40723E-02 -0.89732E-03 5840 0.188E-01 0.149E-01 RMM: 4 -0.337124510818E+03 0.21222E-03 -0.53778E-04 4654 0.507E-02 0.921E-02 RMM: 5 -0.337124456728E+03 0.54090E-04 -0.75503E-05 3473 0.245E-02 0.591E-02 RMM: 6 -0.337124439264E+03 0.17464E-04 -0.22290E-05 2555 0.143E-02 1200 T= 5757. E= 0.67454117E+03 F= 0.61914455E+03 E0= 0.64755862E+03 EK= 0.46881E+02 SP= 0.85E+01 SK= 0.50E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335944153159E+03 0.11803E+01 -0.12316E-01 8504 0.226E+01 0.181E-01 RMM: 2 -0.335960013890E+03 -0.15861E-01 -0.11024E-01 5179 0.723E-01 0.919E-01 RMM: 3 -0.335953538446E+03 0.64754E-02 -0.10245E-02 5644 0.204E-01 0.195E-01 RMM: 4 -0.335953208333E+03 0.33011E-03 -0.71614E-04 4833 0.566E-02 0.851E-02 RMM: 5 -0.335953162181E+03 0.46151E-04 -0.83452E-05 3692 0.239E-02 0.674E-02 RMM: 6 -0.335953145869E+03 0.16312E-04 -0.23433E-05 2562 0.144E-02 1201 T= 5621. E= 0.67455079E+03 F= 0.62031584E+03 E0= 0.64875808E+03 EK= 0.45775E+02 SP= 0.84E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334844990976E+03 0.11082E+01 -0.11528E-01 8512 0.222E+01 0.345E-01 RMM: 2 -0.334884641093E+03 -0.39650E-01 -0.10993E-01 5078 0.773E-01 0.211E+00 RMM: 3 -0.334853272347E+03 0.31369E-01 -0.16275E-02 5382 0.308E-01 0.317E-01 RMM: 4 -0.334852512070E+03 0.76028E-03 -0.18412E-03 4891 0.854E-02 0.795E-02 RMM: 5 -0.334852494909E+03 0.17160E-04 -0.18358E-04 4108 0.302E-02 1202 T= 5497. E= 0.67456013E+03 F= 0.62141649E+03 E0= 0.64988481E+03 EK= 0.44767E+02 SP= 0.83E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333933033374E+03 0.91948E+00 -0.10667E-01 8400 0.219E+01 0.221E-01 RMM: 2 -0.333952995608E+03 -0.19962E-01 -0.93801E-02 5309 0.660E-01 0.128E+00 RMM: 3 -0.333940727571E+03 0.12268E-01 -0.96568E-03 5404 0.220E-01 0.248E-01 RMM: 4 -0.333940298901E+03 0.42867E-03 -0.10662E-03 4777 0.662E-02 0.963E-02 RMM: 5 -0.333940255869E+03 0.43032E-04 -0.11444E-04 3887 0.267E-02 0.781E-02 RMM: 6 -0.333940233305E+03 0.22564E-04 -0.24995E-05 2616 0.149E-02 0.630E-02 RMM: 7 -0.333940267112E+03 -0.33807E-04 -0.47738E-05 3140 0.187E-02 0.985E-02 RMM: 8 -0.333940212598E+03 0.54514E-04 -0.11143E-04 3890 0.251E-02 0.317E-02 RMM: 9 -0.333940211207E+03 0.13903E-05 -0.15909E-05 2516 0.117E-02 1203 T= 5400. E= 0.67456705E+03 F= 0.62232878E+03 E0= 0.65081985E+03 EK= 0.43976E+02 SP= 0.82E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333292043250E+03 0.64817E+00 -0.10414E-01 8040 0.217E+01 0.231E-01 RMM: 2 -0.333306828883E+03 -0.14786E-01 -0.97409E-02 4830 0.715E-01 0.975E-01 RMM: 3 -0.333300061175E+03 0.67677E-02 -0.10808E-02 5683 0.209E-01 0.184E-01 RMM: 4 -0.333299975216E+03 0.85958E-04 -0.10113E-03 4677 0.730E-02 0.197E-01 RMM: 5 -0.333299765604E+03 0.20961E-03 -0.21087E-04 3886 0.372E-02 0.940E-02 RMM: 6 -0.333299716426E+03 0.49178E-04 -0.51441E-05 3245 0.214E-02 0.406E-02 RMM: 7 -0.333299735600E+03 -0.19174E-04 -0.27294E-05 2656 0.160E-02 1204 T= 5340. E= 0.67457019E+03 F= 0.62296925E+03 E0= 0.65147896E+03 EK= 0.43486E+02 SP= 0.80E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332962413403E+03 0.33730E+00 -0.98297E-02 8240 0.216E+01 0.138E-01 RMM: 2 -0.332972526847E+03 -0.10113E-01 -0.82361E-02 5141 0.640E-01 0.637E-01 RMM: 3 -0.332969429534E+03 0.30973E-02 -0.78657E-03 5871 0.170E-01 0.155E-01 RMM: 4 -0.332969184598E+03 0.24494E-03 -0.43131E-04 4466 0.455E-02 0.584E-02 RMM: 5 -0.332969159775E+03 0.24823E-04 -0.50176E-05 3158 0.190E-02 0.550E-02 RMM: 6 -0.332969150006E+03 0.97693E-05 -0.19828E-05 2514 0.138E-02 1205 T= 5322. E= 0.67457025E+03 F= 0.62329984E+03 E0= 0.65182281E+03 EK= 0.43338E+02 SP= 0.78E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332935176633E+03 0.33983E-01 -0.10085E-01 7800 0.216E+01 0.212E-01 RMM: 2 -0.332952436548E+03 -0.17260E-01 -0.97408E-02 4904 0.712E-01 0.113E+00 RMM: 3 -0.332943353208E+03 0.90833E-02 -0.11045E-02 5522 0.220E-01 0.212E-01 RMM: 4 -0.332942980533E+03 0.37268E-03 -0.88941E-04 4862 0.607E-02 0.749E-02 RMM: 5 -0.332942957949E+03 0.22584E-04 -0.10797E-04 3841 0.257E-02 0.703E-02 RMM: 6 -0.332942935366E+03 0.22583E-04 -0.25255E-05 2606 0.149E-02 0.503E-02 RMM: 7 -0.332942964649E+03 -0.29283E-04 -0.37642E-05 2987 0.178E-02 0.866E-02 RMM: 8 -0.332942919518E+03 0.45132E-04 -0.43424E-05 2827 0.180E-02 0.367E-02 RMM: 9 -0.332942913760E+03 0.57575E-05 -0.15555E-05 2481 0.117E-02 1206 T= 5345. E= 0.67456777E+03 F= 0.62332608E+03 E0= 0.65185693E+03 EK= 0.43529E+02 SP= 0.75E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333174788614E+03 -0.23187E+00 -0.96791E-02 7912 0.217E+01 0.249E-01 RMM: 2 -0.333193794721E+03 -0.19006E-01 -0.93209E-02 5018 0.695E-01 0.128E+00 RMM: 3 -0.333182227247E+03 0.11567E-01 -0.10664E-02 5453 0.225E-01 0.226E-01 RMM: 4 -0.333181912486E+03 0.31476E-03 -0.11807E-03 4660 0.744E-02 0.131E-01 RMM: 5 -0.333181892464E+03 0.20022E-04 -0.18880E-04 3886 0.342E-02 0.129E-01 RMM: 6 -0.333181781415E+03 0.11105E-03 -0.62298E-05 3380 0.232E-02 0.329E-02 RMM: 7 -0.333181788643E+03 -0.72283E-05 -0.22299E-05 2555 0.143E-02 1207 T= 5406. E= 0.67456400E+03 F= 0.62308720E+03 E0= 0.65162047E+03 EK= 0.44023E+02 SP= 0.72E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333620217619E+03 -0.43844E+00 -0.98423E-02 7880 0.219E+01 0.174E-01 RMM: 2 -0.333634552907E+03 -0.14335E-01 -0.10095E-01 5126 0.709E-01 0.884E-01 RMM: 3 -0.333628733801E+03 0.58191E-02 -0.10122E-02 5762 0.194E-01 0.157E-01 RMM: 4 -0.333628472681E+03 0.26112E-03 -0.61465E-04 4631 0.536E-02 0.819E-02 RMM: 5 -0.333628437948E+03 0.34733E-04 -0.78945E-05 3683 0.227E-02 0.674E-02 RMM: 6 -0.333628416732E+03 0.21216E-04 -0.20395E-05 2545 0.137E-02 0.444E-02 RMM: 7 -0.333628422074E+03 -0.53418E-05 -0.31276E-05 2662 0.163E-02 1208 T= 5497. E= 0.67455987E+03 F= 0.62264057E+03 E0= 0.65117211E+03 EK= 0.44762E+02 SP= 0.69E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334213610054E+03 -0.58519E+00 -0.99349E-02 7904 0.221E+01 0.183E-01 RMM: 2 -0.334227331377E+03 -0.13721E-01 -0.10298E-01 5117 0.723E-01 0.838E-01 RMM: 3 -0.334222378305E+03 0.49531E-02 -0.10777E-02 5943 0.194E-01 0.154E-01 RMM: 4 -0.334222118455E+03 0.25985E-03 -0.63258E-04 4664 0.570E-02 0.111E-01 RMM: 5 -0.334222038594E+03 0.79861E-04 -0.94235E-05 3615 0.252E-02 0.586E-02 RMM: 6 -0.334222021339E+03 0.17255E-04 -0.21800E-05 2558 0.143E-02 1209 T= 5610. E= 0.67455591E+03 F= 0.62204697E+03 E0= 0.65057373E+03 EK= 0.45687E+02 SP= 0.65E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334894505512E+03 -0.67247E+00 -0.10837E-01 7872 0.222E+01 0.190E-01 RMM: 2 -0.334912611175E+03 -0.18106E-01 -0.12314E-01 5152 0.776E-01 0.102E+00 RMM: 3 -0.334905047585E+03 0.75636E-02 -0.12551E-02 5794 0.215E-01 0.154E-01 RMM: 4 -0.334904760900E+03 0.28668E-03 -0.71891E-04 4874 0.563E-02 0.961E-02 RMM: 5 -0.334904698295E+03 0.62605E-04 -0.86223E-05 3739 0.241E-02 0.659E-02 RMM: 6 -0.334904684717E+03 0.13578E-04 -0.22118E-05 2549 0.138E-02 1210 T= 5739. E= 0.67455237E+03 F= 0.62136430E+03 E0= 0.64988485E+03 EK= 0.46739E+02 SP= 0.61E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335615620382E+03 -0.71092E+00 -0.10781E-01 8032 0.224E+01 0.284E-01 RMM: 2 -0.335641828341E+03 -0.26208E-01 -0.11926E-01 5176 0.782E-01 0.153E+00 RMM: 3 -0.335625210586E+03 0.16618E-01 -0.13880E-02 5429 0.265E-01 0.271E-01 RMM: 4 -0.335624672646E+03 0.53794E-03 -0.14494E-03 4759 0.775E-02 0.926E-02 RMM: 5 -0.335624637684E+03 0.34963E-04 -0.16427E-04 3976 0.311E-02 0.862E-02 RMM: 6 -0.335624594376E+03 0.43307E-04 -0.29793E-05 2741 0.165E-02 0.513E-02 RMM: 7 -0.335624603990E+03 -0.96142E-05 -0.27350E-05 2592 0.161E-02 1211 T= 5877. E= 0.67454873E+03 F= 0.62064439E+03 E0= 0.64915866E+03 EK= 0.47862E+02 SP= 0.56E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336322524660E+03 -0.69793E+00 -0.11224E-01 8072 0.227E+01 0.295E-01 RMM: 2 -0.336349093498E+03 -0.26569E-01 -0.14735E-01 4935 0.879E-01 0.143E+00 RMM: 3 -0.336334625573E+03 0.14468E-01 -0.17490E-02 5481 0.288E-01 0.261E-01 RMM: 4 -0.336334171961E+03 0.45361E-03 -0.17123E-03 4930 0.871E-02 0.139E-01 RMM: 5 -0.336334128356E+03 0.43606E-04 -0.24417E-04 3911 0.374E-02 0.126E-01 RMM: 6 -0.336334023623E+03 0.10473E-03 -0.65739E-05 3403 0.234E-02 0.336E-02 RMM: 7 -0.336334025209E+03 -0.15858E-05 -0.18282E-05 2528 0.128E-02 1212 T= 6018. E= 0.67454548E+03 F= 0.61993496E+03 E0= 0.64844267E+03 EK= 0.49007E+02 SP= 0.51E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336974344249E+03 -0.64032E+00 -0.12104E-01 8336 0.229E+01 0.219E-01 RMM: 2 -0.336996619420E+03 -0.22275E-01 -0.15233E-01 5075 0.872E-01 0.112E+00 RMM: 3 -0.336987376030E+03 0.92434E-02 -0.15333E-02 5736 0.247E-01 0.192E-01 RMM: 4 -0.336986994214E+03 0.38182E-03 -0.98838E-04 4875 0.669E-02 0.105E-01 RMM: 5 -0.336986924021E+03 0.70193E-04 -0.13651E-04 3880 0.308E-02 0.733E-02 RMM: 6 -0.336986893728E+03 0.30292E-04 -0.32153E-05 2802 0.169E-02 0.481E-02 RMM: 7 -0.336986886140E+03 0.75886E-05 -0.35355E-05 2642 0.169E-02 1213 T= 6155. E= 0.67454214E+03 F= 0.61928210E+03 E0= 0.64778474E+03 EK= 0.50123E+02 SP= 0.46E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337524919058E+03 -0.53803E+00 -0.13000E-01 8400 0.231E+01 0.164E-01 RMM: 2 -0.337542740636E+03 -0.17822E-01 -0.15537E-01 5042 0.867E-01 0.700E-01 RMM: 3 -0.337538361739E+03 0.43789E-02 -0.14714E-02 6086 0.230E-01 0.146E-01 RMM: 4 -0.337538048377E+03 0.31336E-03 -0.68772E-04 4736 0.604E-02 0.110E-01 RMM: 5 -0.337537964257E+03 0.84121E-04 -0.10034E-04 3683 0.289E-02 0.591E-02 RMM: 6 -0.337537951208E+03 0.13048E-04 -0.24781E-05 2557 0.146E-02 1214 T= 6282. E= 0.67453877E+03 F= 0.61873104E+03 E0= 0.64723050E+03 EK= 0.51159E+02 SP= 0.41E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337932637274E+03 -0.39467E+00 -0.13497E-01 8440 0.233E+01 0.182E-01 RMM: 2 -0.337953172088E+03 -0.20535E-01 -0.15966E-01 5227 0.846E-01 0.895E-01 RMM: 3 -0.337946154977E+03 0.70171E-02 -0.14002E-02 5664 0.237E-01 0.190E-01 RMM: 4 -0.337945823107E+03 0.33187E-03 -0.89444E-04 4865 0.636E-02 0.994E-02 RMM: 5 -0.337945747584E+03 0.75524E-04 -0.11122E-04 3859 0.281E-02 0.658E-02 RMM: 6 -0.337945732435E+03 0.15149E-04 -0.25488E-05 2569 0.147E-02 1215 T= 6394. E= 0.67453637E+03 F= 0.61832326E+03 E0= 0.64682100E+03 EK= 0.52071E+02 SP= 0.36E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338166721584E+03 -0.22097E+00 -0.13511E-01 8624 0.235E+01 0.318E-01 RMM: 2 -0.338202563422E+03 -0.35842E-01 -0.15353E-01 5120 0.872E-01 0.182E+00 RMM: 3 -0.338179000073E+03 0.23563E-01 -0.17424E-02 5444 0.299E-01 0.308E-01 RMM: 4 -0.338178259659E+03 0.74041E-03 -0.17767E-03 4913 0.875E-02 0.854E-02 RMM: 5 -0.338178232645E+03 0.27014E-04 -0.20851E-04 4370 0.318E-02 0.891E-02 RMM: 6 -0.338178190627E+03 0.42018E-04 -0.32002E-05 2681 0.173E-02 0.534E-02 RMM: 7 -0.338178209868E+03 -0.19241E-04 -0.40622E-05 2997 0.185E-02 1216 T= 6486. E= 0.67453415E+03 F= 0.61809078E+03 E0= 0.64658849E+03 EK= 0.52820E+02 SP= 0.31E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338200194933E+03 -0.22004E-01 -0.14263E-01 8440 0.237E+01 0.231E-01 RMM: 2 -0.338224560472E+03 -0.24366E-01 -0.16735E-01 5166 0.876E-01 0.114E+00 RMM: 3 -0.338214142352E+03 0.10418E-01 -0.15423E-02 5507 0.267E-01 0.259E-01 RMM: 4 -0.338213702832E+03 0.43952E-03 -0.14478E-03 4934 0.833E-02 0.134E-01 RMM: 5 -0.338213642094E+03 0.60738E-04 -0.21085E-04 3902 0.370E-02 0.106E-01 RMM: 6 -0.338213568832E+03 0.73262E-04 -0.51167E-05 3205 0.212E-02 0.345E-02 RMM: 7 -0.338213576305E+03 -0.74731E-05 -0.20766E-05 2533 0.141E-02 1217 T= 6555. E= 0.67453380E+03 F= 0.61805541E+03 E0= 0.64655439E+03 EK= 0.53380E+02 SP= 0.25E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338033482341E+03 0.18009E+00 -0.14134E-01 8632 0.238E+01 0.203E-01 RMM: 2 -0.338056329105E+03 -0.22847E-01 -0.15989E-01 5296 0.841E-01 0.109E+00 RMM: 3 -0.338046768838E+03 0.95603E-02 -0.13339E-02 5750 0.238E-01 0.175E-01 RMM: 4 -0.338046466470E+03 0.30237E-03 -0.83896E-04 4830 0.622E-02 0.978E-02 RMM: 5 -0.338046401548E+03 0.64923E-04 -0.10980E-04 3823 0.279E-02 0.660E-02 RMM: 6 -0.338046381360E+03 0.20188E-04 -0.27682E-05 2600 0.157E-02 0.469E-02 RMM: 7 -0.338046384895E+03 -0.35349E-05 -0.31205E-05 2646 0.160E-02 1218 T= 6599. E= 0.67453430E+03 F= 0.61822260E+03 E0= 0.64672105E+03 EK= 0.53742E+02 SP= 0.20E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337672137272E+03 0.37424E+00 -0.14903E-01 8448 0.239E+01 0.152E-01 RMM: 2 -0.337690962982E+03 -0.18826E-01 -0.17177E-01 5258 0.886E-01 0.613E-01 RMM: 3 -0.337686988590E+03 0.39744E-02 -0.14643E-02 6051 0.226E-01 0.124E-01 RMM: 4 -0.337686705808E+03 0.28278E-03 -0.64095E-04 4736 0.582E-02 0.111E-01 RMM: 5 -0.337686623396E+03 0.82413E-04 -0.90466E-05 3581 0.287E-02 0.545E-02 RMM: 6 -0.337686611877E+03 0.11519E-04 -0.24464E-05 2559 0.148E-02 1219 T= 6620. E= 0.67453600E+03 F= 0.61858238E+03 E0= 0.64707944E+03 EK= 0.53910E+02 SP= 0.15E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337145675386E+03 0.54095E+00 -0.15613E-01 8504 0.240E+01 0.189E-01 RMM: 2 -0.337169793909E+03 -0.24119E-01 -0.18181E-01 5207 0.912E-01 0.101E+00 RMM: 3 -0.337161246424E+03 0.85475E-02 -0.15746E-02 5763 0.248E-01 0.172E-01 RMM: 4 -0.337160868936E+03 0.37749E-03 -0.87215E-04 4877 0.641E-02 0.889E-02 RMM: 5 -0.337160820454E+03 0.48481E-04 -0.10766E-04 3960 0.279E-02 0.667E-02 RMM: 6 -0.337160802538E+03 0.17917E-04 -0.25213E-05 2568 0.152E-02 1220 T= 6620. E= 0.67453876E+03 F= 0.61910819E+03 E0= 0.64760110E+03 EK= 0.53910E+02 SP= 0.10E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336496900212E+03 0.66392E+00 -0.15158E-01 8712 0.240E+01 0.348E-01 RMM: 2 -0.336535819382E+03 -0.38919E-01 -0.15900E-01 5043 0.887E-01 0.191E+00 RMM: 3 -0.336509550523E+03 0.26269E-01 -0.18626E-02 5438 0.312E-01 0.350E-01 RMM: 4 -0.336508615339E+03 0.93518E-03 -0.19841E-03 4990 0.928E-02 0.970E-02 RMM: 5 -0.336508599513E+03 0.15827E-04 -0.23447E-04 4130 0.338E-02 0.101E-01 RMM: 6 -0.336508536594E+03 0.62918E-04 -0.35863E-05 2874 0.177E-02 0.564E-02 RMM: 7 -0.336508552681E+03 -0.16086E-04 -0.33441E-05 2816 0.173E-02 1221 T= 6604. E= 0.67454213E+03 F= 0.61976044E+03 E0= 0.64824633E+03 EK= 0.53779E+02 SP= 0.49E+00 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335764579182E+03 0.74396E+00 -0.14598E-01 8408 0.240E+01 0.279E-01 RMM: 2 -0.335793865515E+03 -0.29286E-01 -0.16417E-01 5106 0.876E-01 0.144E+00 RMM: 3 -0.335777987150E+03 0.15878E-01 -0.16264E-02 5444 0.285E-01 0.283E-01 RMM: 4 -0.335777478315E+03 0.50883E-03 -0.17247E-03 5023 0.883E-02 0.134E-01 RMM: 5 -0.335777480754E+03 -0.24384E-05 -0.23638E-04 3935 0.365E-02 0.141E-01 RMM: 6 -0.335777346071E+03 0.13468E-03 -0.69702E-05 3454 0.243E-02 0.327E-02 RMM: 7 -0.335777350963E+03 -0.48923E-05 -0.20072E-05 2540 0.136E-02 1222 T= 6578. E= 0.67454617E+03 F= 0.62049164E+03 E0= 0.64896899E+03 EK= 0.53564E+02 SP= -.18E-01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335003270522E+03 0.77408E+00 -0.13655E-01 8632 0.240E+01 0.274E-01 RMM: 2 -0.335032493678E+03 -0.29223E-01 -0.14656E-01 5120 0.843E-01 0.154E+00 RMM: 3 -0.335015057934E+03 0.17436E-01 -0.14895E-02 5602 0.265E-01 0.238E-01 RMM: 4 -0.335014582449E+03 0.47549E-03 -0.12518E-03 4830 0.733E-02 0.968E-02 RMM: 5 -0.335014536493E+03 0.45955E-04 -0.15045E-04 3898 0.313E-02 0.869E-02 RMM: 6 -0.335014487885E+03 0.48609E-04 -0.32962E-05 2801 0.171E-02 0.512E-02 RMM: 7 -0.335014489572E+03 -0.16876E-05 -0.26458E-05 2579 0.156E-02 1223 T= 6547. E= 0.67454989E+03 F= 0.62125450E+03 E0= 0.64972264E+03 EK= 0.53311E+02 SP= -.52E+00 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334246895300E+03 0.76759E+00 -0.12738E-01 8688 0.240E+01 0.162E-01 RMM: 2 -0.334262510277E+03 -0.15615E-01 -0.13131E-01 5139 0.785E-01 0.709E-01 RMM: 3 -0.334257992159E+03 0.45181E-02 -0.11445E-02 5907 0.211E-01 0.148E-01 RMM: 4 -0.334257773535E+03 0.21862E-03 -0.63919E-04 4747 0.555E-02 0.965E-02 RMM: 5 -0.334257714598E+03 0.58937E-04 -0.85934E-05 3633 0.247E-02 0.650E-02 RMM: 6 -0.334257692519E+03 0.22079E-04 -0.21521E-05 2554 0.142E-02 0.367E-02 RMM: 7 -0.334257694596E+03 -0.20772E-05 -0.18744E-05 2505 0.134E-02 1224 T= 6516. E= 0.67455161E+03 F= 0.62201129E+03 E0= 0.65047078E+03 EK= 0.53059E+02 SP= -.10E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333511280749E+03 0.74641E+00 -0.12692E-01 8088 0.240E+01 0.166E-01 RMM: 2 -0.333527918793E+03 -0.16638E-01 -0.14600E-01 4956 0.849E-01 0.690E-01 RMM: 3 -0.333523796072E+03 0.41227E-02 -0.14083E-02 6250 0.216E-01 0.133E-01 RMM: 4 -0.333523484725E+03 0.31135E-03 -0.62850E-04 4640 0.618E-02 0.118E-01 RMM: 5 -0.333523394448E+03 0.90277E-04 -0.10106E-04 3646 0.288E-02 0.662E-02 RMM: 6 -0.333523369940E+03 0.24508E-04 -0.24184E-05 2567 0.146E-02 0.400E-02 RMM: 7 -0.333523364107E+03 0.58331E-05 -0.22693E-05 2522 0.146E-02 1225 T= 6487. E= 0.67455211E+03 F= 0.62274563E+03 E0= 0.65119955E+03 EK= 0.52824E+02 SP= -.15E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332797475599E+03 0.72589E+00 -0.11992E-01 8344 0.241E+01 0.143E-01 RMM: 2 -0.332810880517E+03 -0.13405E-01 -0.12186E-01 5036 0.773E-01 0.568E-01 RMM: 3 -0.332807946198E+03 0.29343E-02 -0.11621E-02 6209 0.197E-01 0.120E-01 RMM: 4 -0.332807701539E+03 0.24466E-03 -0.48573E-04 4563 0.519E-02 0.951E-02 RMM: 5 -0.332807640407E+03 0.61133E-04 -0.68050E-05 3386 0.250E-02 0.559E-02 RMM: 6 -0.332807629087E+03 0.11319E-04 -0.21822E-05 2535 0.139E-02 1226 T= 6460. E= 0.67455185E+03 F= 0.62346136E+03 E0= 0.65191334E+03 EK= 0.52606E+02 SP= -.20E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332082956563E+03 0.72468E+00 -0.12113E-01 8112 0.241E+01 0.180E-01 RMM: 2 -0.332100026602E+03 -0.17070E-01 -0.12153E-01 5091 0.760E-01 0.947E-01 RMM: 3 -0.332093089474E+03 0.69371E-02 -0.11705E-02 5829 0.212E-01 0.159E-01 RMM: 4 -0.332092815514E+03 0.27396E-03 -0.68646E-04 4796 0.565E-02 0.930E-02 RMM: 5 -0.332092753095E+03 0.62419E-04 -0.81909E-05 3752 0.241E-02 0.591E-02 RMM: 6 -0.332092740985E+03 0.12110E-04 -0.19438E-05 2529 0.130E-02 1227 T= 6433. E= 0.67455207E+03 F= 0.62417625E+03 E0= 0.65263063E+03 EK= 0.52389E+02 SP= -.25E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331354385371E+03 0.73837E+00 -0.11918E-01 8024 0.241E+01 0.243E-01 RMM: 2 -0.331377396654E+03 -0.23011E-01 -0.10987E-01 5191 0.732E-01 0.140E+00 RMM: 3 -0.331363128964E+03 0.14268E-01 -0.11718E-02 5459 0.239E-01 0.235E-01 RMM: 4 -0.331362698808E+03 0.43016E-03 -0.11666E-03 4719 0.708E-02 0.866E-02 RMM: 5 -0.331362654078E+03 0.44729E-04 -0.12898E-04 4066 0.272E-02 0.708E-02 RMM: 6 -0.331362632726E+03 0.21352E-04 -0.20912E-05 2557 0.137E-02 0.551E-02 RMM: 7 -0.331362633984E+03 -0.12583E-05 -0.29519E-05 2652 0.160E-02 1228 T= 6405. E= 0.67455263E+03 F= 0.62490636E+03 E0= 0.65336729E+03 EK= 0.52157E+02 SP= -.30E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330603799650E+03 0.75883E+00 -0.11474E-01 8128 0.241E+01 0.230E-01 RMM: 2 -0.330621548588E+03 -0.17749E-01 -0.10697E-01 5227 0.705E-01 0.111E+00 RMM: 3 -0.330612304860E+03 0.92437E-02 -0.10630E-02 5468 0.224E-01 0.227E-01 RMM: 4 -0.330611979529E+03 0.32533E-03 -0.11093E-03 4715 0.700E-02 0.118E-01 RMM: 5 -0.330611908089E+03 0.71441E-04 -0.14459E-04 3893 0.295E-02 0.901E-02 RMM: 6 -0.330611858256E+03 0.49833E-04 -0.32789E-05 2919 0.178E-02 0.391E-02 RMM: 7 -0.330611859985E+03 -0.17290E-05 -0.17127E-05 2520 0.127E-02 1229 T= 6374. E= 0.67455384E+03 F= 0.62565713E+03 E0= 0.65413034E+03 EK= 0.51907E+02 SP= -.35E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329839127357E+03 0.77273E+00 -0.11644E-01 8304 0.240E+01 0.183E-01 RMM: 2 -0.329856222897E+03 -0.17096E-01 -0.12017E-01 5166 0.735E-01 0.960E-01 RMM: 3 -0.329848977581E+03 0.72453E-02 -0.10915E-02 5807 0.207E-01 0.175E-01 RMM: 4 -0.329848677761E+03 0.29982E-03 -0.71295E-04 4780 0.569E-02 0.948E-02 RMM: 5 -0.329848617459E+03 0.60302E-04 -0.86368E-05 3675 0.244E-02 0.639E-02 RMM: 6 -0.329848601990E+03 0.15469E-04 -0.21456E-05 2554 0.139E-02 1230 T= 6342. E= 0.67455591E+03 F= 0.62642039E+03 E0= 0.65490772E+03 EK= 0.51647E+02 SP= -.40E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329083107378E+03 0.76551E+00 -0.11976E-01 8560 0.239E+01 0.207E-01 RMM: 2 -0.329101872712E+03 -0.18765E-01 -0.11383E-01 5185 0.716E-01 0.111E+00 RMM: 3 -0.329092393278E+03 0.94794E-02 -0.11190E-02 5529 0.220E-01 0.196E-01 RMM: 4 -0.329092079843E+03 0.31344E-03 -0.92106E-04 4945 0.600E-02 0.869E-02 RMM: 5 -0.329092037881E+03 0.41962E-04 -0.85069E-05 3692 0.228E-02 0.711E-02 RMM: 6 -0.329092024741E+03 0.13139E-04 -0.15744E-05 2524 0.117E-02 1231 T= 6312. E= 0.67455835E+03 F= 0.62717696E+03 E0= 0.65568140E+03 EK= 0.51398E+02 SP= -.46E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328356558654E+03 0.73548E+00 -0.12463E-01 8408 0.238E+01 0.330E-01 RMM: 2 -0.328390994416E+03 -0.34436E-01 -0.12862E-01 5041 0.801E-01 0.184E+00 RMM: 3 -0.328366641783E+03 0.24353E-01 -0.16548E-02 5383 0.298E-01 0.346E-01 RMM: 4 -0.328365737597E+03 0.90419E-03 -0.19103E-03 4871 0.879E-02 0.988E-02 RMM: 5 -0.328365695492E+03 0.42105E-04 -0.20605E-04 4115 0.317E-02 0.838E-02 RMM: 6 -0.328365659068E+03 0.36424E-04 -0.23257E-05 2567 0.140E-02 0.606E-02 RMM: 7 -0.328365663073E+03 -0.40047E-05 -0.22234E-05 2593 0.148E-02 1232 T= 6285. E= 0.67456039E+03 F= 0.62790333E+03 E0= 0.65642678E+03 EK= 0.51183E+02 SP= -.51E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327680189159E+03 0.68547E+00 -0.12875E-01 8520 0.238E+01 0.298E-01 RMM: 2 -0.327710804699E+03 -0.30616E-01 -0.13628E-01 5053 0.793E-01 0.162E+00 RMM: 3 -0.327691123376E+03 0.19681E-01 -0.15228E-02 5391 0.280E-01 0.308E-01 RMM: 4 -0.327690519874E+03 0.60350E-03 -0.18772E-03 4927 0.897E-02 0.131E-01 RMM: 5 -0.327690553846E+03 -0.33972E-04 -0.27844E-04 3922 0.396E-02 0.156E-01 RMM: 6 -0.327690393754E+03 0.16009E-03 -0.94418E-05 3612 0.280E-02 0.394E-02 RMM: 7 -0.327690395292E+03 -0.15386E-05 -0.21397E-05 2559 0.139E-02 1233 T= 6266. E= 0.67456176E+03 F= 0.62857859E+03 E0= 0.65712352E+03 EK= 0.51024E+02 SP= -.56E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327066340125E+03 0.62405E+00 -0.13473E-01 8768 0.237E+01 0.244E-01 RMM: 2 -0.327092836570E+03 -0.26496E-01 -0.14828E-01 5060 0.826E-01 0.137E+00 RMM: 3 -0.327078642927E+03 0.14194E-01 -0.14646E-02 5568 0.249E-01 0.217E-01 RMM: 4 -0.327078210825E+03 0.43210E-03 -0.12000E-03 4915 0.699E-02 0.995E-02 RMM: 5 -0.327078163637E+03 0.47188E-04 -0.15271E-04 3918 0.306E-02 0.800E-02 RMM: 6 -0.327078124250E+03 0.39387E-04 -0.31907E-05 2842 0.170E-02 0.435E-02 RMM: 7 -0.327078125217E+03 -0.96639E-06 -0.18374E-05 2519 0.131E-02 1234 T= 6255. E= 0.67456232E+03 F= 0.62919086E+03 E0= 0.65775854E+03 EK= 0.50936E+02 SP= -.62E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326515787868E+03 0.56234E+00 -0.14449E-01 8840 0.237E+01 0.164E-01 RMM: 2 -0.326532817259E+03 -0.17029E-01 -0.14929E-01 5148 0.835E-01 0.671E-01 RMM: 3 -0.326528722190E+03 0.40951E-02 -0.13304E-02 6022 0.217E-01 0.133E-01 RMM: 4 -0.326528456449E+03 0.26574E-03 -0.65863E-04 4901 0.547E-02 0.924E-02 RMM: 5 -0.326528411180E+03 0.45270E-04 -0.86577E-05 3566 0.257E-02 0.635E-02 RMM: 6 -0.326528390585E+03 0.20595E-04 -0.22685E-05 2556 0.145E-02 0.388E-02 RMM: 7 -0.326528391645E+03 -0.10600E-05 -0.16742E-05 2501 0.128E-02 1235 T= 6253. E= 0.67456199E+03 F= 0.62974060E+03 E0= 0.65833469E+03 EK= 0.50917E+02 SP= -.67E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326015578756E+03 0.51281E+00 -0.14898E-01 8776 0.238E+01 0.178E-01 RMM: 2 -0.326035445443E+03 -0.19867E-01 -0.15765E-01 5104 0.865E-01 0.878E-01 RMM: 3 -0.326029145728E+03 0.62997E-02 -0.13914E-02 6062 0.223E-01 0.147E-01 RMM: 4 -0.326028830929E+03 0.31480E-03 -0.72205E-04 4727 0.613E-02 0.111E-01 RMM: 5 -0.326028760361E+03 0.70568E-04 -0.10933E-04 3708 0.275E-02 0.684E-02 RMM: 6 -0.326028735708E+03 0.24652E-04 -0.25531E-05 2588 0.153E-02 0.401E-02 RMM: 7 -0.326028736090E+03 -0.38201E-06 -0.15974E-05 2499 0.124E-02 1236 T= 6257. E= 0.67456108E+03 F= 0.63024025E+03 E0= 0.65886470E+03 EK= 0.50957E+02 SP= -.73E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325544169888E+03 0.48457E+00 -0.14890E-01 8864 0.238E+01 0.166E-01 RMM: 2 -0.325561060695E+03 -0.16891E-01 -0.14872E-01 5262 0.822E-01 0.680E-01 RMM: 3 -0.325556695911E+03 0.43648E-02 -0.11662E-02 6097 0.209E-01 0.147E-01 RMM: 4 -0.325556443055E+03 0.25286E-03 -0.61212E-04 4689 0.543E-02 0.989E-02 RMM: 5 -0.325556389672E+03 0.53383E-04 -0.88550E-05 3611 0.255E-02 0.698E-02 RMM: 6 -0.325556365580E+03 0.24092E-04 -0.24547E-05 2577 0.153E-02 0.409E-02 RMM: 7 -0.325556367924E+03 -0.23432E-05 -0.17668E-05 2505 0.128E-02 1237 T= 6267. E= 0.67455964E+03 F= 0.63071262E+03 E0= 0.65937317E+03 EK= 0.51034E+02 SP= -.79E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325070524366E+03 0.48584E+00 -0.13885E-01 8824 0.238E+01 0.178E-01 RMM: 2 -0.325087438957E+03 -0.16915E-01 -0.13949E-01 5372 0.787E-01 0.788E-01 RMM: 3 -0.325082027118E+03 0.54118E-02 -0.10498E-02 6125 0.197E-01 0.160E-01 RMM: 4 -0.325081760046E+03 0.26707E-03 -0.63762E-04 4658 0.580E-02 0.112E-01 RMM: 5 -0.325081686286E+03 0.73761E-04 -0.98369E-05 3640 0.257E-02 0.705E-02 RMM: 6 -0.325081660326E+03 0.25960E-04 -0.22929E-05 2571 0.148E-02 0.403E-02 RMM: 7 -0.325081660225E+03 0.10101E-06 -0.17744E-05 2509 0.124E-02 1238 T= 6277. E= 0.67455837E+03 F= 0.63118733E+03 E0= 0.65989066E+03 EK= 0.51117E+02 SP= -.84E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324567780836E+03 0.51388E+00 -0.13292E-01 8960 0.238E+01 0.174E-01 RMM: 2 -0.324583130998E+03 -0.15350E-01 -0.12834E-01 5506 0.746E-01 0.739E-01 RMM: 3 -0.324578110777E+03 0.50202E-02 -0.87952E-03 6078 0.185E-01 0.141E-01 RMM: 4 -0.324577930276E+03 0.18050E-03 -0.55591E-04 4562 0.518E-02 0.112E-01 RMM: 5 -0.324577852512E+03 0.77764E-04 -0.88690E-05 3594 0.250E-02 0.675E-02 RMM: 6 -0.324577829462E+03 0.23050E-04 -0.23505E-05 2594 0.150E-02 0.447E-02 RMM: 7 -0.324577827273E+03 0.21891E-05 -0.21733E-05 2535 0.137E-02 1239 T= 6285. E= 0.67455789E+03 F= 0.63169116E+03 E0= 0.66044489E+03 EK= 0.51182E+02 SP= -.90E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324018782653E+03 0.55905E+00 -0.12793E-01 8760 0.238E+01 0.186E-01 RMM: 2 -0.324034654842E+03 -0.15872E-01 -0.12710E-01 5479 0.747E-01 0.824E-01 RMM: 3 -0.324028955048E+03 0.56998E-02 -0.93376E-03 6160 0.188E-01 0.176E-01 RMM: 4 -0.324028684997E+03 0.27005E-03 -0.62868E-04 4677 0.570E-02 0.110E-01 RMM: 5 -0.324028609680E+03 0.75317E-04 -0.94589E-05 3609 0.240E-02 0.733E-02 RMM: 6 -0.324028582442E+03 0.27238E-04 -0.22378E-05 2583 0.148E-02 0.426E-02 RMM: 7 -0.324028580848E+03 0.15947E-05 -0.18985E-05 2527 0.123E-02 1240 T= 6289. E= 0.67455872E+03 F= 0.63224041E+03 E0= 0.66105122E+03 EK= 0.51211E+02 SP= -.96E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323424065456E+03 0.60452E+00 -0.12361E-01 8472 0.238E+01 0.166E-01 RMM: 2 -0.323438767830E+03 -0.14702E-01 -0.12719E-01 5444 0.747E-01 0.681E-01 RMM: 3 -0.323434345004E+03 0.44228E-02 -0.97259E-03 6175 0.187E-01 0.134E-01 RMM: 4 -0.323434175743E+03 0.16926E-03 -0.53455E-04 4438 0.518E-02 0.125E-01 RMM: 5 -0.323434073998E+03 0.10174E-03 -0.91062E-05 3573 0.262E-02 0.662E-02 RMM: 6 -0.323434052339E+03 0.21659E-04 -0.24749E-05 2613 0.152E-02 0.454E-02 RMM: 7 -0.323434046618E+03 0.57218E-05 -0.27910E-05 2606 0.152E-02 1241 T= 6288. E= 0.67456032E+03 F= 0.63283494E+03 E0= 0.66170887E+03 EK= 0.51203E+02 SP= -.10E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322797269156E+03 0.63678E+00 -0.12295E-01 8288 0.237E+01 0.186E-01 RMM: 2 -0.322813746316E+03 -0.16477E-01 -0.13381E-01 5358 0.784E-01 0.823E-01 RMM: 3 -0.322808282799E+03 0.54635E-02 -0.11592E-02 6196 0.198E-01 0.172E-01 RMM: 4 -0.322807965958E+03 0.31684E-03 -0.66873E-04 4695 0.596E-02 0.114E-01 RMM: 5 -0.322807879657E+03 0.86301E-04 -0.99855E-05 3638 0.253E-02 0.710E-02 RMM: 6 -0.322807855470E+03 0.24187E-04 -0.23683E-05 2580 0.151E-02 0.438E-02 RMM: 7 -0.322807853513E+03 0.19568E-05 -0.20038E-05 2537 0.127E-02 1242 T= 6284. E= 0.67456268E+03 F= 0.63346114E+03 E0= 0.66240078E+03 EK= 0.51172E+02 SP= -.11E+02 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322166533751E+03 0.64132E+00 -0.12466E-01 8320 0.236E+01 0.155E-01 RMM: 2 -0.322179798870E+03 -0.13265E-01 -0.11827E-01 5463 0.716E-01 0.608E-01 RMM: 3 -0.322176051691E+03 0.37472E-02 -0.85558E-03 6171 0.174E-01 0.127E-01 RMM: 4 -0.322175896911E+03 0.15478E-03 -0.45623E-04 4271 0.479E-02 0.119E-01 RMM: 5 -0.322175799025E+03 0.97887E-04 -0.76784E-05 3488 0.252E-02 0.612E-02 RMM: 6 -0.322175782321E+03 0.16703E-04 -0.22120E-05 2553 0.141E-02 1243 T= 6280. E= 0.67456537E+03 F= 0.63409321E+03 E0= 0.66309824E+03 EK= 0.51143E+02 SP= -.11E+02 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321561421085E+03 0.61438E+00 -0.12670E-01 8232 0.236E+01 0.205E-01 RMM: 2 -0.321577826212E+03 -0.16405E-01 -0.11433E-01 5438 0.719E-01 0.971E-01 RMM: 3 -0.321570442546E+03 0.73837E-02 -0.92290E-03 5755 0.201E-01 0.199E-01 RMM: 4 -0.321570118336E+03 0.32421E-03 -0.74387E-04 4811 0.565E-02 0.863E-02 RMM: 5 -0.321570070460E+03 0.47876E-04 -0.86763E-05 3675 0.234E-02 0.730E-02 RMM: 6 -0.321570045273E+03 0.25188E-04 -0.21925E-05 2557 0.145E-02 0.508E-02 RMM: 7 -0.321570047050E+03 -0.17773E-05 -0.23056E-05 2570 0.141E-02 1244 T= 6281. E= 0.67456762E+03 F= 0.63469894E+03 E0= 0.66376404E+03 EK= 0.51148E+02 SP= -.12E+02 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321011300023E+03 0.55875E+00 -0.12326E-01 8264 0.235E+01 0.230E-01 RMM: 2 -0.321029538744E+03 -0.18239E-01 -0.10653E-01 5388 0.716E-01 0.115E+00 RMM: 3 -0.321019688465E+03 0.98503E-02 -0.90068E-03 5648 0.202E-01 0.231E-01 RMM: 4 -0.321019328787E+03 0.35968E-03 -0.98980E-04 4653 0.705E-02 0.123E-01 RMM: 5 -0.321019277354E+03 0.51433E-04 -0.16456E-04 3873 0.332E-02 0.942E-02 RMM: 6 -0.321019217530E+03 0.59825E-04 -0.41024E-05 3099 0.199E-02 0.320E-02 RMM: 7 -0.321019217655E+03 -0.12503E-06 -0.14292E-05 2499 0.113E-02 1245 T= 6289. E= 0.67456949E+03 F= 0.63524977E+03 E0= 0.66436608E+03 EK= 0.51216E+02 SP= -.13E+02 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320533400310E+03 0.48582E+00 -0.12611E-01 8216 0.236E+01 0.228E-01 RMM: 2 -0.320553231595E+03 -0.19831E-01 -0.11212E-01 5392 0.729E-01 0.123E+00 RMM: 3 -0.320542216205E+03 0.11015E-01 -0.98123E-03 5608 0.212E-01 0.215E-01 RMM: 4 -0.320541862560E+03 0.35365E-03 -0.89877E-04 4729 0.632E-02 0.965E-02 RMM: 5 -0.320541808867E+03 0.53693E-04 -0.12404E-04 3823 0.280E-02 0.819E-02 RMM: 6 -0.320541767747E+03 0.41120E-04 -0.31851E-05 2865 0.174E-02 0.428E-02 RMM: 7 -0.320541767104E+03 0.64339E-06 -0.17328E-05 2517 0.122E-02 1246 T= 6308. E= 0.67457096E+03 F= 0.63572722E+03 E0= 0.66488186E+03 EK= 0.51366E+02 SP= -.13E+02 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320137404474E+03 0.40436E+00 -0.12661E-01 8376 0.236E+01 0.182E-01 RMM: 2 -0.320151809085E+03 -0.14405E-01 -0.10662E-01 5271 0.716E-01 0.858E-01 RMM: 3 -0.320146061289E+03 0.57478E-02 -0.91568E-03 5825 0.195E-01 0.165E-01 RMM: 4 -0.320145830211E+03 0.23108E-03 -0.61401E-04 4752 0.527E-02 0.971E-02 RMM: 5 -0.320145779098E+03 0.51113E-04 -0.88266E-05 3642 0.257E-02 0.651E-02 RMM: 6 -0.320145754316E+03 0.24782E-04 -0.22862E-05 2579 0.147E-02 0.381E-02 RMM: 7 -0.320145753844E+03 0.47170E-06 -0.19554E-05 2519 0.134E-02 1247 T= 6337. E= 0.67457115E+03 F= 0.63612324E+03 E0= 0.66530252E+03 EK= 0.51606E+02 SP= -.14E+02 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319820110996E+03 0.32564E+00 -0.12722E-01 8128 0.237E+01 0.197E-01 RMM: 2 -0.319836863396E+03 -0.16752E-01 -0.11923E-01 5096 0.778E-01 0.956E-01 RMM: 3 -0.319830170526E+03 0.66929E-02 -0.12138E-02 5894 0.214E-01 0.180E-01 RMM: 4 -0.319829838476E+03 0.33205E-03 -0.76020E-04 4707 0.621E-02 0.113E-01 RMM: 5 -0.319829774692E+03 0.63785E-04 -0.12463E-04 3761 0.293E-02 0.830E-02 RMM: 6 -0.319829731855E+03 0.42837E-04 -0.34129E-05 2947 0.180E-02 0.395E-02 RMM: 7 -0.319829730141E+03 0.17146E-05 -0.15879E-05 2506 0.119E-02 1248 T= 6377. E= 0.67457016E+03 F= 0.63643926E+03 E0= 0.66562901E+03 EK= 0.51934E+02 SP= -.15E+02 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319571735559E+03 0.25800E+00 -0.13145E-01 8184 0.239E+01 0.174E-01 RMM: 2 -0.319586937764E+03 -0.15202E-01 -0.12341E-01 5061 0.795E-01 0.786E-01 RMM: 3 -0.319582286661E+03 0.46511E-02 -0.12475E-02 5970 0.213E-01 0.156E-01 RMM: 4 -0.319581984103E+03 0.30256E-03 -0.61639E-04 4819 0.550E-02 0.983E-02 RMM: 5 -0.319581924299E+03 0.59803E-04 -0.88852E-05 3619 0.263E-02 0.662E-02 RMM: 6 -0.319581903265E+03 0.21034E-04 -0.24315E-05 2567 0.150E-02 0.461E-02 RMM: 7 -0.319581900854E+03 0.24106E-05 -0.29085E-05 2614 0.159E-02 1249 T= 6427. E= 0.67456916E+03 F= 0.63668709E+03 E0= 0.66587514E+03 EK= 0.52340E+02 SP= -.15E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319378877032E+03 0.20303E+00 -0.13088E-01 7792 0.241E+01 0.177E-01 RMM: 2 -0.319393615506E+03 -0.14738E-01 -0.11580E-01 4999 0.782E-01 0.805E-01 RMM: 3 -0.319388861420E+03 0.47541E-02 -0.12419E-02 5969 0.212E-01 0.165E-01 RMM: 4 -0.319388560841E+03 0.30058E-03 -0.66175E-04 4687 0.602E-02 0.116E-01 RMM: 5 -0.319388485049E+03 0.75792E-04 -0.11177E-04 3684 0.283E-02 0.786E-02 RMM: 6 -0.319388450498E+03 0.34551E-04 -0.30406E-05 2812 0.172E-02 0.409E-02 RMM: 7 -0.319388449884E+03 0.61360E-06 -0.17384E-05 2515 0.127E-02 1250 T= 6485. E= 0.67456883E+03 F= 0.63688054E+03 E0= 0.66605768E+03 EK= 0.52809E+02 SP= -.16E+02 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319229056661E+03 0.15939E+00 -0.13491E-01 7944 0.242E+01 0.182E-01 RMM: 2 -0.319244353970E+03 -0.15297E-01 -0.12229E-01 4934 0.817E-01 0.815E-01 RMM: 3 -0.319239638521E+03 0.47154E-02 -0.13544E-02 5947 0.224E-01 0.157E-01 RMM: 4 -0.319239323358E+03 0.31516E-03 -0.66086E-04 4831 0.580E-02 0.105E-01 RMM: 5 -0.319239256766E+03 0.66592E-04 -0.97334E-05 3650 0.272E-02 0.702E-02 RMM: 6 -0.319239232586E+03 0.24180E-04 -0.25949E-05 2564 0.155E-02 0.460E-02 RMM: 7 -0.319239232660E+03 -0.73916E-07 -0.25722E-05 2595 0.150E-02 1251 T= 6549. E= 0.67456849E+03 F= 0.63702976E+03 E0= 0.66618967E+03 EK= 0.53329E+02 SP= -.17E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319114901882E+03 0.12433E+00 -0.13513E-01 7744 0.244E+01 0.175E-01 RMM: 2 -0.319129612899E+03 -0.14711E-01 -0.11992E-01 4880 0.818E-01 0.768E-01 RMM: 3 -0.319125444384E+03 0.41685E-02 -0.13663E-02 5978 0.222E-01 0.161E-01 RMM: 4 -0.319125126226E+03 0.31816E-03 -0.66016E-04 4733 0.605E-02 0.110E-01 RMM: 5 -0.319125056074E+03 0.70153E-04 -0.10574E-04 3642 0.280E-02 0.761E-02 RMM: 6 -0.319125024504E+03 0.31570E-04 -0.29543E-05 2713 0.168E-02 0.402E-02 RMM: 7 -0.319125025213E+03 -0.70934E-06 -0.18187E-05 2513 0.131E-02 1252 T= 6617. E= 0.67456832E+03 F= 0.63714396E+03 E0= 0.66628289E+03 EK= 0.53889E+02 SP= -.17E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319029272606E+03 0.95752E-01 -0.13848E-01 7944 0.246E+01 0.179E-01 RMM: 2 -0.319045320953E+03 -0.16048E-01 -0.13555E-01 4807 0.868E-01 0.760E-01 RMM: 3 -0.319041188240E+03 0.41327E-02 -0.15888E-02 5985 0.237E-01 0.137E-01 RMM: 4 -0.319040875471E+03 0.31277E-03 -0.70027E-04 4854 0.602E-02 0.113E-01 RMM: 5 -0.319040798619E+03 0.76853E-04 -0.10564E-04 3733 0.287E-02 0.711E-02 RMM: 6 -0.319040771897E+03 0.26721E-04 -0.27255E-05 2561 0.157E-02 0.412E-02 RMM: 7 -0.319040769509E+03 0.23885E-05 -0.25337E-05 2555 0.151E-02 1253 T= 6690. E= 0.67456878E+03 F= 0.63722822E+03 E0= 0.66634414E+03 EK= 0.54482E+02 SP= -.18E+02 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318977582364E+03 0.63190E-01 -0.13866E-01 7848 0.248E+01 0.169E-01 RMM: 2 -0.318992715061E+03 -0.15133E-01 -0.12737E-01 4833 0.847E-01 0.740E-01 RMM: 3 -0.318988911868E+03 0.38032E-02 -0.15115E-02 6040 0.226E-01 0.158E-01 RMM: 4 -0.318988546871E+03 0.36500E-03 -0.65357E-04 4737 0.613E-02 0.102E-01 RMM: 5 -0.318988480713E+03 0.66158E-04 -0.10263E-04 3647 0.279E-02 0.690E-02 RMM: 6 -0.318988456489E+03 0.24225E-04 -0.27171E-05 2575 0.159E-02 0.403E-02 RMM: 7 -0.318988456115E+03 0.37334E-06 -0.21702E-05 2524 0.140E-02 1254 T= 6767. E= 0.67456939E+03 F= 0.63728053E+03 E0= 0.66637265E+03 EK= 0.55107E+02 SP= -.19E+02 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318963376091E+03 0.25080E-01 -0.13233E-01 7904 0.249E+01 0.178E-01 RMM: 2 -0.318977603038E+03 -0.14227E-01 -0.11611E-01 4890 0.805E-01 0.761E-01 RMM: 3 -0.318973520056E+03 0.40830E-02 -0.13455E-02 5962 0.222E-01 0.163E-01 RMM: 4 -0.318973201049E+03 0.31901E-03 -0.63214E-04 4759 0.579E-02 0.106E-01 RMM: 5 -0.318973136323E+03 0.64726E-04 -0.10292E-04 3659 0.280E-02 0.707E-02 RMM: 6 -0.318973109040E+03 0.27283E-04 -0.26610E-05 2569 0.156E-02 0.398E-02 RMM: 7 -0.318973108246E+03 0.79482E-06 -0.23726E-05 2523 0.147E-02 1255 T= 6848. E= 0.67457015E+03 F= 0.63729588E+03 E0= 0.66636348E+03 EK= 0.55767E+02 SP= -.19E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318989265705E+03 -0.16157E-01 -0.14266E-01 7848 0.251E+01 0.181E-01 RMM: 2 -0.319005495417E+03 -0.16230E-01 -0.12880E-01 4865 0.847E-01 0.840E-01 RMM: 3 -0.319000574693E+03 0.49207E-02 -0.14850E-02 5938 0.230E-01 0.175E-01 RMM: 4 -0.319000196068E+03 0.37862E-03 -0.70808E-04 4762 0.621E-02 0.991E-02 RMM: 5 -0.319000132112E+03 0.63956E-04 -0.10407E-04 3691 0.274E-02 0.673E-02 RMM: 6 -0.319000109555E+03 0.22557E-04 -0.25961E-05 2571 0.154E-02 0.421E-02 RMM: 7 -0.319000109436E+03 0.11886E-06 -0.25223E-05 2575 0.148E-02 1256 T= 6934. E= 0.67457094E+03 F= 0.63726888E+03 E0= 0.66631097E+03 EK= 0.56463E+02 SP= -.20E+02 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319063455744E+03 -0.63346E-01 -0.14011E-01 7720 0.252E+01 0.185E-01 RMM: 2 -0.319078948767E+03 -0.15493E-01 -0.12405E-01 4906 0.829E-01 0.816E-01 RMM: 3 -0.319074271125E+03 0.46776E-02 -0.14271E-02 5953 0.228E-01 0.173E-01 RMM: 4 -0.319073914099E+03 0.35703E-03 -0.69344E-04 4759 0.608E-02 0.109E-01 RMM: 5 -0.319073846329E+03 0.67770E-04 -0.11137E-04 3713 0.291E-02 0.741E-02 RMM: 6 -0.319073815581E+03 0.30747E-04 -0.28903E-05 2673 0.163E-02 0.418E-02 RMM: 7 -0.319073812096E+03 0.34855E-05 -0.28553E-05 2586 0.160E-02 1257 T= 7024. E= 0.67457097E+03 F= 0.63719518E+03 E0= 0.66621011E+03 EK= 0.57196E+02 SP= -.21E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319178140404E+03 -0.10432E+00 -0.14590E-01 7856 0.254E+01 0.190E-01 RMM: 2 -0.319195652070E+03 -0.17512E-01 -0.13482E-01 4948 0.859E-01 0.910E-01 RMM: 3 -0.319189873075E+03 0.57790E-02 -0.15076E-02 5959 0.228E-01 0.176E-01 RMM: 4 -0.319189481267E+03 0.39181E-03 -0.76557E-04 4736 0.648E-02 0.106E-01 RMM: 5 -0.319189411390E+03 0.69877E-04 -0.11461E-04 3734 0.288E-02 0.694E-02 RMM: 6 -0.319189386828E+03 0.24562E-04 -0.27329E-05 2630 0.159E-02 0.438E-02 RMM: 7 -0.319189385902E+03 0.92600E-06 -0.26486E-05 2587 0.152E-02 1258 T= 7117. E= 0.67457015E+03 F= 0.63707960E+03 E0= 0.66606556E+03 EK= 0.57957E+02 SP= -.21E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319317718768E+03 -0.12833E+00 -0.14440E-01 7768 0.255E+01 0.173E-01 RMM: 2 -0.319333775550E+03 -0.16057E-01 -0.14061E-01 4817 0.880E-01 0.706E-01 RMM: 3 -0.319330218340E+03 0.35572E-02 -0.16649E-02 6086 0.235E-01 0.154E-01 RMM: 4 -0.319329840823E+03 0.37752E-03 -0.69089E-04 4771 0.621E-02 0.118E-01 RMM: 5 -0.319329749532E+03 0.91291E-04 -0.11164E-04 3722 0.298E-02 0.674E-02 RMM: 6 -0.319329726967E+03 0.22565E-04 -0.27786E-05 2596 0.157E-02 0.443E-02 RMM: 7 -0.319329718441E+03 0.85260E-05 -0.32537E-05 2654 0.169E-02 1259 T= 7211. E= 0.67456868E+03 F= 0.63693927E+03 E0= 0.66589397E+03 EK= 0.58725E+02 SP= -.22E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319457932371E+03 -0.12821E+00 -0.14556E-01 7752 0.257E+01 0.184E-01 RMM: 2 -0.319475356065E+03 -0.17424E-01 -0.14473E-01 4955 0.882E-01 0.814E-01 RMM: 3 -0.319470574377E+03 0.47817E-02 -0.16103E-02 6080 0.227E-01 0.163E-01 RMM: 4 -0.319470153788E+03 0.42059E-03 -0.77401E-04 4724 0.666E-02 0.117E-01 RMM: 5 -0.319470073317E+03 0.80471E-04 -0.12452E-04 3786 0.305E-02 0.714E-02 RMM: 6 -0.319470046151E+03 0.27166E-04 -0.28061E-05 2686 0.161E-02 0.431E-02 RMM: 7 -0.319470043571E+03 0.25791E-05 -0.25841E-05 2573 0.152E-02 1260 T= 7303. E= 0.67456732E+03 F= 0.63679895E+03 E0= 0.66572078E+03 EK= 0.59470E+02 SP= -.22E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319573523361E+03 -0.10348E+00 -0.14186E-01 7800 0.258E+01 0.173E-01 RMM: 2 -0.319588348252E+03 -0.14825E-01 -0.13454E-01 4897 0.858E-01 0.646E-01 RMM: 3 -0.319585363818E+03 0.29844E-02 -0.15552E-02 6102 0.226E-01 0.127E-01 RMM: 4 -0.319585056822E+03 0.30700E-03 -0.64078E-04 4846 0.598E-02 0.136E-01 RMM: 5 -0.319584937070E+03 0.11975E-03 -0.10977E-04 3740 0.304E-02 0.595E-02 RMM: 6 -0.319584922426E+03 0.14645E-04 -0.25856E-05 2562 0.149E-02 1261 T= 7388. E= 0.67456651E+03 F= 0.63668407E+03 E0= 0.66557161E+03 EK= 0.60163E+02 SP= -.23E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319641716755E+03 -0.56780E-01 -0.14196E-01 7672 0.259E+01 0.190E-01 RMM: 2 -0.319660325276E+03 -0.18609E-01 -0.13225E-01 4985 0.828E-01 0.984E-01 RMM: 3 -0.319653276340E+03 0.70489E-02 -0.14158E-02 5701 0.232E-01 0.202E-01 RMM: 4 -0.319652867510E+03 0.40883E-03 -0.86028E-04 4764 0.638E-02 0.981E-02 RMM: 5 -0.319652805727E+03 0.61783E-04 -0.12267E-04 3857 0.285E-02 0.712E-02 RMM: 6 -0.319652782003E+03 0.23724E-04 -0.27422E-05 2631 0.156E-02 0.579E-02 RMM: 7 -0.319652782171E+03 -0.16789E-06 -0.40034E-05 2917 0.190E-02 1262 T= 7463. E= 0.67456603E+03 F= 0.63661621E+03 E0= 0.66546940E+03 EK= 0.60777E+02 SP= -.23E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319651792342E+03 0.98966E-03 -0.14270E-01 7816 0.259E+01 0.265E-01 RMM: 2 -0.319675326838E+03 -0.23534E-01 -0.13790E-01 4896 0.881E-01 0.132E+00 RMM: 3 -0.319663329287E+03 0.11998E-01 -0.16289E-02 5610 0.266E-01 0.252E-01 RMM: 4 -0.319662811247E+03 0.51804E-03 -0.13773E-03 4839 0.824E-02 0.125E-01 RMM: 5 -0.319662791227E+03 0.20020E-04 -0.21964E-04 3890 0.361E-02 0.122E-01 RMM: 6 -0.319662694439E+03 0.96787E-04 -0.63328E-05 3389 0.234E-02 0.334E-02 RMM: 7 -0.319662694606E+03 -0.16684E-06 -0.16230E-05 2517 0.122E-02 1263 T= 7527. E= 0.67456687E+03 F= 0.63660629E+03 E0= 0.66542681E+03 EK= 0.61297E+02 SP= -.24E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319604084203E+03 0.58610E-01 -0.14747E-01 7808 0.259E+01 0.192E-01 RMM: 2 -0.319623039033E+03 -0.18955E-01 -0.14329E-01 4934 0.865E-01 0.945E-01 RMM: 3 -0.319616643895E+03 0.63951E-02 -0.15670E-02 5829 0.239E-01 0.177E-01 RMM: 4 -0.319616253770E+03 0.39013E-03 -0.83181E-04 4807 0.643E-02 0.110E-01 RMM: 5 -0.319616176758E+03 0.77012E-04 -0.12659E-04 3837 0.302E-02 0.723E-02 RMM: 6 -0.319616148293E+03 0.28465E-04 -0.30741E-05 2698 0.165E-02 0.486E-02 RMM: 7 -0.319616144548E+03 0.37456E-05 -0.30532E-05 2616 0.161E-02 1264 T= 7579. E= 0.67456820E+03 F= 0.63665284E+03 E0= 0.66544062E+03 EK= 0.61719E+02 SP= -.24E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319507538606E+03 0.10861E+00 -0.14826E-01 8088 0.260E+01 0.197E-01 RMM: 2 -0.319525791816E+03 -0.18253E-01 -0.13510E-01 4925 0.848E-01 0.953E-01 RMM: 3 -0.319519206532E+03 0.65853E-02 -0.14746E-02 5874 0.236E-01 0.191E-01 RMM: 4 -0.319518794196E+03 0.41234E-03 -0.81185E-04 4809 0.637E-02 0.917E-02 RMM: 5 -0.319518762483E+03 0.31712E-04 -0.12332E-04 3766 0.292E-02 0.821E-02 RMM: 6 -0.319518723134E+03 0.39349E-04 -0.34095E-05 2912 0.177E-02 0.396E-02 RMM: 7 -0.319518725763E+03 -0.26289E-05 -0.21855E-05 2541 0.144E-02 1265 T= 7619. E= 0.67456912E+03 F= 0.63675026E+03 E0= 0.66550604E+03 EK= 0.62044E+02 SP= -.24E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319365689045E+03 0.15303E+00 -0.15538E-01 7936 0.260E+01 0.170E-01 RMM: 2 -0.319383817027E+03 -0.18128E-01 -0.15644E-01 4857 0.902E-01 0.746E-01 RMM: 3 -0.319379577059E+03 0.42400E-02 -0.17436E-02 6160 0.238E-01 0.150E-01 RMM: 4 -0.319379186757E+03 0.39030E-03 -0.74869E-04 4733 0.657E-02 0.123E-01 RMM: 5 -0.319379094989E+03 0.91768E-04 -0.12350E-04 3767 0.311E-02 0.718E-02 RMM: 6 -0.319379066215E+03 0.28774E-04 -0.29979E-05 2660 0.164E-02 0.383E-02 RMM: 7 -0.319379064113E+03 0.21026E-05 -0.20451E-05 2518 0.139E-02 1266 T= 7648. E= 0.67457001E+03 F= 0.63688993E+03 E0= 0.66561273E+03 EK= 0.62279E+02 SP= -.25E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319195038776E+03 0.18403E+00 -0.15741E-01 8072 0.260E+01 0.172E-01 RMM: 2 -0.319213682535E+03 -0.18644E-01 -0.15713E-01 4870 0.908E-01 0.789E-01 RMM: 3 -0.319208900704E+03 0.47818E-02 -0.17085E-02 6050 0.239E-01 0.155E-01 RMM: 4 -0.319208487990E+03 0.41271E-03 -0.71063E-04 4871 0.615E-02 0.917E-02 RMM: 5 -0.319208441118E+03 0.46871E-04 -0.10357E-04 3714 0.281E-02 0.717E-02 RMM: 6 -0.319208414501E+03 0.26617E-04 -0.30498E-05 2687 0.167E-02 0.461E-02 RMM: 7 -0.319208414481E+03 0.20367E-07 -0.37342E-05 2775 0.178E-02 1267 T= 7667. E= 0.67457039E+03 F= 0.63706057E+03 E0= 0.66574900E+03 EK= 0.62432E+02 SP= -.25E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319005377395E+03 0.20304E+00 -0.15306E-01 7968 0.260E+01 0.172E-01 RMM: 2 -0.319022578070E+03 -0.17201E-01 -0.14461E-01 4988 0.865E-01 0.764E-01 RMM: 3 -0.319017938113E+03 0.46400E-02 -0.15058E-02 6112 0.226E-01 0.162E-01 RMM: 4 -0.319017586236E+03 0.35188E-03 -0.70300E-04 4682 0.628E-02 0.112E-01 RMM: 5 -0.319017507472E+03 0.78763E-04 -0.10943E-04 3667 0.288E-02 0.659E-02 RMM: 6 -0.319017485003E+03 0.22469E-04 -0.27595E-05 2624 0.159E-02 0.376E-02 RMM: 7 -0.319017485699E+03 -0.69551E-06 -0.19760E-05 2512 0.137E-02 1268 T= 7676. E= 0.67457069E+03 F= 0.63725150E+03 E0= 0.66590359E+03 EK= 0.62512E+02 SP= -.25E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318804695612E+03 0.21279E+00 -0.16079E-01 7952 0.261E+01 0.162E-01 RMM: 2 -0.318822880417E+03 -0.18185E-01 -0.16287E-01 4889 0.923E-01 0.685E-01 RMM: 3 -0.318819016237E+03 0.38642E-02 -0.17289E-02 6213 0.237E-01 0.132E-01 RMM: 4 -0.318818645488E+03 0.37075E-03 -0.67473E-04 4793 0.618E-02 0.100E-01 RMM: 5 -0.318818580623E+03 0.64865E-04 -0.97625E-05 3681 0.279E-02 0.685E-02 RMM: 6 -0.318818557966E+03 0.22657E-04 -0.29329E-05 2596 0.165E-02 0.445E-02 RMM: 7 -0.318818556269E+03 0.16968E-05 -0.29948E-05 2618 0.160E-02 1269 T= 7679. E= 0.67457154E+03 F= 0.63745043E+03 E0= 0.66606447E+03 EK= 0.62532E+02 SP= -.25E+02 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318616158736E+03 0.20240E+00 -0.15215E-01 7912 0.261E+01 0.181E-01 RMM: 2 -0.318635547680E+03 -0.19389E-01 -0.16561E-01 4903 0.938E-01 0.786E-01 RMM: 3 -0.318630738975E+03 0.48087E-02 -0.18324E-02 6121 0.241E-01 0.161E-01 RMM: 4 -0.318630282230E+03 0.45675E-03 -0.77531E-04 4824 0.656E-02 0.104E-01 RMM: 5 -0.318630219477E+03 0.62753E-04 -0.11114E-04 3787 0.278E-02 0.720E-02 RMM: 6 -0.318630192457E+03 0.27020E-04 -0.28235E-05 2609 0.163E-02 0.405E-02 RMM: 7 -0.318630193239E+03 -0.78200E-06 -0.21528E-05 2524 0.141E-02 1270 T= 7676. E= 0.67457275E+03 F= 0.63763880E+03 E0= 0.66621339E+03 EK= 0.62510E+02 SP= -.26E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318467185907E+03 0.16301E+00 -0.13996E-01 8136 0.261E+01 0.166E-01 RMM: 2 -0.318481347850E+03 -0.14162E-01 -0.12496E-01 5065 0.805E-01 0.670E-01 RMM: 3 -0.318477808878E+03 0.35390E-02 -0.12443E-02 6129 0.206E-01 0.129E-01 RMM: 4 -0.318477556311E+03 0.25257E-03 -0.54490E-04 4679 0.547E-02 0.116E-01 RMM: 5 -0.318477468241E+03 0.88070E-04 -0.87712E-05 3554 0.263E-02 0.655E-02 RMM: 6 -0.318477447464E+03 0.20778E-04 -0.25848E-05 2589 0.154E-02 0.441E-02 RMM: 7 -0.318477443548E+03 0.39152E-05 -0.28179E-05 2588 0.157E-02 1271 T= 7671. E= 0.67457432E+03 F= 0.63779155E+03 E0= 0.66632653E+03 EK= 0.62470E+02 SP= -.26E+02 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318380547087E+03 0.96900E-01 -0.13778E-01 7904 0.262E+01 0.190E-01 RMM: 2 -0.318395973611E+03 -0.15427E-01 -0.12005E-01 5074 0.806E-01 0.848E-01 RMM: 3 -0.318390805213E+03 0.51684E-02 -0.12551E-02 5975 0.213E-01 0.177E-01 RMM: 4 -0.318390467104E+03 0.33811E-03 -0.68627E-04 4707 0.604E-02 0.105E-01 RMM: 5 -0.318390405384E+03 0.61720E-04 -0.10596E-04 3661 0.264E-02 0.794E-02 RMM: 6 -0.318390373045E+03 0.32339E-04 -0.28588E-05 2742 0.165E-02 0.431E-02 RMM: 7 -0.318390372944E+03 0.10097E-06 -0.20592E-05 2524 0.135E-02 1272 T= 7668. E= 0.67457636E+03 F= 0.63787862E+03 E0= 0.66637579E+03 EK= 0.62444E+02 SP= -.26E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318390757755E+03 -0.38471E-03 -0.13782E-01 7984 0.262E+01 0.176E-01 RMM: 2 -0.318405159711E+03 -0.14402E-01 -0.12031E-01 5065 0.810E-01 0.754E-01 RMM: 3 -0.318401149154E+03 0.40106E-02 -0.12596E-02 6002 0.207E-01 0.157E-01 RMM: 4 -0.318400833993E+03 0.31516E-03 -0.61113E-04 4728 0.575E-02 0.107E-01 RMM: 5 -0.318400760586E+03 0.73406E-04 -0.95601E-05 3617 0.266E-02 0.675E-02 RMM: 6 -0.318400738229E+03 0.22357E-04 -0.25309E-05 2592 0.154E-02 0.442E-02 RMM: 7 -0.318400735645E+03 0.25843E-05 -0.25665E-05 2569 0.149E-02 1273 T= 7670. E= 0.67457822E+03 F= 0.63786825E+03 E0= 0.66632999E+03 EK= 0.62462E+02 SP= -.26E+02 SK= 0.61E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.318524441971E+03 -0.12370E+00 -0.13647E-01 7808 0.262E+01 0.192E-01 RMM: 2 -0.318538709841E+03 -0.14268E-01 -0.10348E-01 5196 0.758E-01 0.893E-01 RMM: 3 -0.318533185919E+03 0.55239E-02 -0.10411E-02 5857 0.196E-01 0.175E-01 RMM: 4 -0.318532900534E+03 0.28538E-03 -0.67595E-04 4667 0.593E-02 0.109E-01 RMM: 5 -0.318532834757E+03 0.65777E-04 -0.10885E-04 3670 0.263E-02 0.804E-02 RMM: 6 -0.318532800576E+03 0.34181E-04 -0.28825E-05 2833 0.165E-02 0.424E-02 RMM: 7 -0.318532798888E+03 0.16880E-05 -0.20270E-05 2521 0.131E-02 1274 T= 7681. E= 0.67457848E+03 F= 0.63773619E+03 E0= 0.66616525E+03 EK= 0.62547E+02 SP= -.26E+02 SK= 0.78E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318777982799E+03 -0.24518E+00 -0.14503E-01 7624 0.263E+01 0.183E-01 RMM: 2 -0.318795279660E+03 -0.17297E-01 -0.14227E-01 5025 0.878E-01 0.822E-01 RMM: 3 -0.318790384298E+03 0.48954E-02 -0.15210E-02 5967 0.219E-01 0.166E-01 RMM: 4 -0.318789984601E+03 0.39970E-03 -0.75205E-04 4802 0.637E-02 0.104E-01 RMM: 5 -0.318789917932E+03 0.66669E-04 -0.11026E-04 3774 0.280E-02 0.690E-02 RMM: 6 -0.318789893340E+03 0.24592E-04 -0.25671E-05 2592 0.154E-02 0.434E-02 RMM: 7 -0.318789890521E+03 0.28191E-05 -0.21562E-05 2533 0.137E-02 1275 T= 7700. E= 0.67457710E+03 F= 0.63747910E+03 E0= 0.66587810E+03 EK= 0.62702E+02 SP= -.26E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319142173860E+03 -0.35228E+00 -0.13460E-01 7776 0.263E+01 0.179E-01 RMM: 2 -0.319154909977E+03 -0.12736E-01 -0.94070E-02 5133 0.733E-01 0.836E-01 RMM: 3 -0.319150136531E+03 0.47734E-02 -0.95770E-03 5780 0.190E-01 0.156E-01 RMM: 4 -0.319149920524E+03 0.21601E-03 -0.59002E-04 4615 0.555E-02 0.109E-01 RMM: 5 -0.319149848944E+03 0.71581E-04 -0.98455E-05 3611 0.262E-02 0.730E-02 RMM: 6 -0.319149821343E+03 0.27601E-04 -0.26953E-05 2692 0.158E-02 0.412E-02 RMM: 7 -0.319149818513E+03 0.28301E-05 -0.20611E-05 2532 0.132E-02 1276 T= 7724. E= 0.67457347E+03 F= 0.63711917E+03 E0= 0.66549029E+03 EK= 0.62903E+02 SP= -.25E+02 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319553663091E+03 -0.40384E+00 -0.13846E-01 7536 0.264E+01 0.181E-01 RMM: 2 -0.319566131529E+03 -0.12468E-01 -0.96124E-02 5099 0.747E-01 0.799E-01 RMM: 3 -0.319561761995E+03 0.43695E-02 -0.99872E-03 5802 0.192E-01 0.155E-01 RMM: 4 -0.319561522494E+03 0.23950E-03 -0.57490E-04 4671 0.552E-02 0.108E-01 RMM: 5 -0.319561450516E+03 0.71978E-04 -0.98880E-05 3663 0.273E-02 0.675E-02 RMM: 6 -0.319561425703E+03 0.24813E-04 -0.25193E-05 2614 0.153E-02 0.398E-02 RMM: 7 -0.319561422930E+03 0.27737E-05 -0.19096E-05 2513 0.130E-02 1277 T= 7748. E= 0.67456873E+03 F= 0.63670757E+03 E0= 0.66505197E+03 EK= 0.63098E+02 SP= -.25E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319948624045E+03 -0.38720E+00 -0.13454E-01 7768 0.264E+01 0.169E-01 RMM: 2 -0.319959742956E+03 -0.11119E-01 -0.89579E-02 5162 0.724E-01 0.722E-01 RMM: 3 -0.319956234724E+03 0.35082E-02 -0.89958E-03 5821 0.180E-01 0.139E-01 RMM: 4 -0.319956046809E+03 0.18792E-03 -0.50389E-04 4564 0.524E-02 0.113E-01 RMM: 5 -0.319955962825E+03 0.83983E-04 -0.90830E-05 3584 0.262E-02 0.659E-02 RMM: 6 -0.319955941235E+03 0.21590E-04 -0.24395E-05 2579 0.149E-02 0.409E-02 RMM: 7 -0.319955936119E+03 0.51159E-05 -0.21649E-05 2522 0.135E-02 1278 T= 7763. E= 0.67456378E+03 F= 0.63631305E+03 E0= 0.66463074E+03 EK= 0.63219E+02 SP= -.25E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320254459411E+03 -0.29852E+00 -0.13105E-01 7632 0.264E+01 0.177E-01 RMM: 2 -0.320266734127E+03 -0.12275E-01 -0.97020E-02 5088 0.757E-01 0.766E-01 RMM: 3 -0.320262709795E+03 0.40243E-02 -0.10185E-02 5838 0.192E-01 0.152E-01 RMM: 4 -0.320262482786E+03 0.22701E-03 -0.55372E-04 4643 0.550E-02 0.112E-01 RMM: 5 -0.320262403704E+03 0.79082E-04 -0.97452E-05 3650 0.272E-02 0.680E-02 RMM: 6 -0.320262379822E+03 0.23882E-04 -0.25465E-05 2591 0.154E-02 0.411E-02 RMM: 7 -0.320262376457E+03 0.33647E-05 -0.20926E-05 2523 0.135E-02 1279 T= 7760. E= 0.67455976E+03 F= 0.63600661E+03 E0= 0.66429617E+03 EK= 0.63194E+02 SP= -.25E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320418106248E+03 -0.15573E+00 -0.12897E-01 7680 0.264E+01 0.161E-01 RMM: 2 -0.320428393012E+03 -0.10287E-01 -0.88919E-02 5151 0.714E-01 0.631E-01 RMM: 3 -0.320425598946E+03 0.27941E-02 -0.86767E-03 5907 0.177E-01 0.127E-01 RMM: 4 -0.320425445611E+03 0.15333E-03 -0.44217E-04 4515 0.497E-02 0.122E-01 RMM: 5 -0.320425345786E+03 0.99824E-04 -0.84685E-05 3556 0.262E-02 0.605E-02 RMM: 6 -0.320425329890E+03 0.15896E-04 -0.22137E-05 2553 0.142E-02 1280 T= 7733. E= 0.67455865E+03 F= 0.63584366E+03 E0= 0.66410216E+03 EK= 0.62972E+02 SP= -.24E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320413532543E+03 0.11813E-01 -0.13356E-01 7360 0.263E+01 0.174E-01 RMM: 2 -0.320428235839E+03 -0.14703E-01 -0.10371E-01 5051 0.750E-01 0.888E-01 RMM: 3 -0.320422373164E+03 0.58627E-02 -0.10525E-02 5605 0.207E-01 0.152E-01 RMM: 4 -0.320422191092E+03 0.18207E-03 -0.61999E-04 4776 0.535E-02 0.949E-02 RMM: 5 -0.320422121973E+03 0.69120E-04 -0.80280E-05 3685 0.243E-02 0.602E-02 RMM: 6 -0.320422112737E+03 0.92356E-05 -0.22184E-05 2551 0.139E-02 1281 T= 7679. E= 0.67455997E+03 F= 0.63584688E+03 E0= 0.66407044E+03 EK= 0.62533E+02 SP= -.24E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320257807060E+03 0.16431E+00 -0.13150E-01 7400 0.261E+01 0.283E-01 RMM: 2 -0.320283083835E+03 -0.25277E-01 -0.94742E-02 5167 0.750E-01 0.161E+00 RMM: 3 -0.320265119258E+03 0.17965E-01 -0.12130E-02 5374 0.260E-01 0.240E-01 RMM: 4 -0.320264710233E+03 0.40902E-03 -0.12867E-03 4695 0.752E-02 0.928E-02 RMM: 5 -0.320264668986E+03 0.41247E-04 -0.14540E-04 3901 0.296E-02 0.851E-02 RMM: 6 -0.320264626979E+03 0.42007E-04 -0.31796E-05 2831 0.177E-02 0.430E-02 RMM: 7 -0.320264634770E+03 -0.77904E-05 -0.28169E-05 2590 0.158E-02 1282 T= 7600. E= 0.67456358E+03 F= 0.63600435E+03 E0= 0.66418857E+03 EK= 0.61892E+02 SP= -.24E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319993464937E+03 0.27116E+00 -0.13163E-01 7392 0.259E+01 0.229E-01 RMM: 2 -0.320011267446E+03 -0.17803E-01 -0.96614E-02 5135 0.727E-01 0.117E+00 RMM: 3 -0.320001307984E+03 0.99595E-02 -0.10351E-02 5424 0.231E-01 0.236E-01 RMM: 4 -0.320001013179E+03 0.29480E-03 -0.11440E-03 4710 0.745E-02 0.129E-01 RMM: 5 -0.320000935565E+03 0.77614E-04 -0.16228E-04 3864 0.331E-02 0.941E-02 RMM: 6 -0.320000875429E+03 0.60137E-04 -0.35224E-05 2944 0.186E-02 0.350E-02 RMM: 7 -0.320000876232E+03 -0.80363E-06 -0.18073E-05 2509 0.131E-02 1283 T= 7503. E= 0.67456905E+03 F= 0.63626811E+03 E0= 0.66441009E+03 EK= 0.61103E+02 SP= -.23E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319697641136E+03 0.30323E+00 -0.13166E-01 7560 0.256E+01 0.200E-01 RMM: 2 -0.319712953749E+03 -0.15313E-01 -0.10811E-01 5043 0.771E-01 0.933E-01 RMM: 3 -0.319706603355E+03 0.63504E-02 -0.11410E-02 5758 0.221E-01 0.159E-01 RMM: 4 -0.319706387437E+03 0.21592E-03 -0.69055E-04 4766 0.575E-02 0.103E-01 RMM: 5 -0.319706322864E+03 0.64572E-04 -0.96724E-05 3669 0.263E-02 0.737E-02 RMM: 6 -0.319706291905E+03 0.30959E-04 -0.28340E-05 2705 0.165E-02 0.429E-02 RMM: 7 -0.319706291554E+03 0.35120E-06 -0.28607E-05 2593 0.157E-02 1284 T= 7398. E= 0.67457545E+03 F= 0.63656270E+03 E0= 0.66466041E+03 EK= 0.60248E+02 SP= -.23E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319462741881E+03 0.24355E+00 -0.12903E-01 7544 0.254E+01 0.165E-01 RMM: 2 -0.319475944554E+03 -0.13203E-01 -0.10691E-01 5053 0.762E-01 0.728E-01 RMM: 3 -0.319471860687E+03 0.40839E-02 -0.10995E-02 5901 0.208E-01 0.146E-01 RMM: 4 -0.319471693264E+03 0.16742E-03 -0.59511E-04 4641 0.576E-02 0.122E-01 RMM: 5 -0.319471591129E+03 0.10213E-03 -0.96663E-05 3590 0.269E-02 0.603E-02 RMM: 6 -0.319471573020E+03 0.18109E-04 -0.23421E-05 2572 0.149E-02 1285 T= 7297. E= 0.67458225E+03 F= 0.63679742E+03 E0= 0.66485236E+03 EK= 0.59422E+02 SP= -.22E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319375033191E+03 0.96558E-01 -0.13895E-01 7856 0.251E+01 0.194E-01 RMM: 2 -0.319395350438E+03 -0.20317E-01 -0.14531E-01 4892 0.884E-01 0.995E-01 RMM: 3 -0.319387787331E+03 0.75631E-02 -0.16124E-02 5750 0.251E-01 0.182E-01 RMM: 4 -0.319387413747E+03 0.37358E-03 -0.86745E-04 4903 0.640E-02 0.819E-02 RMM: 5 -0.319387365379E+03 0.48369E-04 -0.10831E-04 4098 0.266E-02 0.695E-02 RMM: 6 -0.319387346376E+03 0.19002E-04 -0.24087E-05 2559 0.150E-02 1286 T= 7211. E= 0.67458826E+03 F= 0.63688164E+03 E0= 0.66489938E+03 EK= 0.58719E+02 SP= -.22E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319520112316E+03 -0.13275E+00 -0.12740E-01 7808 0.250E+01 0.264E-01 RMM: 2 -0.319547154919E+03 -0.27043E-01 -0.11983E-01 4979 0.821E-01 0.154E+00 RMM: 3 -0.319530088039E+03 0.17067E-01 -0.14563E-02 5424 0.277E-01 0.274E-01 RMM: 4 -0.319529562150E+03 0.52589E-03 -0.14445E-03 4895 0.784E-02 0.858E-02 RMM: 5 -0.319529539702E+03 0.22447E-04 -0.16478E-04 4056 0.303E-02 0.925E-02 RMM: 6 -0.319529489253E+03 0.50449E-04 -0.30115E-05 2740 0.168E-02 0.491E-02 RMM: 7 -0.319529491189E+03 -0.19356E-05 -0.21040E-05 2531 0.146E-02 1287 T= 7149. E= 0.67459184E+03 F= 0.63673950E+03 E0= 0.66473031E+03 EK= 0.58217E+02 SP= -.21E+02 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319938610692E+03 -0.40912E+00 -0.12809E-01 8120 0.249E+01 0.292E-01 RMM: 2 -0.319967993091E+03 -0.29382E-01 -0.13094E-01 4883 0.851E-01 0.161E+00 RMM: 3 -0.319949332672E+03 0.18660E-01 -0.16013E-02 5444 0.286E-01 0.267E-01 RMM: 4 -0.319948867679E+03 0.46499E-03 -0.17642E-03 5011 0.906E-02 0.137E-01 RMM: 5 -0.319948884797E+03 -0.17118E-04 -0.25772E-04 3885 0.387E-02 0.149E-01 RMM: 6 -0.319948729451E+03 0.15535E-03 -0.78036E-05 3514 0.255E-02 0.312E-02 RMM: 7 -0.319948729410E+03 0.40724E-07 -0.17955E-05 2532 0.126E-02 1288 T= 7118. E= 0.67459310E+03 F= 0.63632026E+03 E0= 0.66429871E+03 EK= 0.57966E+02 SP= -.20E+02 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320650360823E+03 -0.70163E+00 -0.13423E-01 8192 0.249E+01 0.206E-01 RMM: 2 -0.320670820601E+03 -0.20460E-01 -0.14178E-01 4924 0.871E-01 0.105E+00 RMM: 3 -0.320662543247E+03 0.82774E-02 -0.15250E-02 5706 0.253E-01 0.180E-01 RMM: 4 -0.320662220412E+03 0.32283E-03 -0.93678E-04 4967 0.648E-02 0.911E-02 RMM: 5 -0.320662165975E+03 0.54437E-04 -0.12353E-04 3894 0.292E-02 0.741E-02 RMM: 6 -0.320662132286E+03 0.33689E-04 -0.29383E-05 2708 0.162E-02 0.434E-02 RMM: 7 -0.320662130905E+03 0.13810E-05 -0.19398E-05 2514 0.138E-02 1289 T= 7120. E= 0.67459114E+03 F= 0.63560686E+03 E0= 0.66358961E+03 EK= 0.57981E+02 SP= -.20E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321636792131E+03 -0.97466E+00 -0.13658E-01 8280 0.250E+01 0.161E-01 RMM: 2 -0.321653075280E+03 -0.16283E-01 -0.13884E-01 4902 0.860E-01 0.704E-01 RMM: 3 -0.321649065587E+03 0.40097E-02 -0.14914E-02 6077 0.229E-01 0.142E-01 RMM: 4 -0.321648729803E+03 0.33578E-03 -0.63184E-04 4700 0.596E-02 0.898E-02 RMM: 5 -0.321648687220E+03 0.42583E-04 -0.91304E-05 3640 0.276E-02 0.671E-02 RMM: 6 -0.321648662598E+03 0.24622E-04 -0.24098E-05 2552 0.150E-02 0.363E-02 RMM: 7 -0.321648663461E+03 -0.86325E-06 -0.17847E-05 2502 0.134E-02 1290 T= 7152. E= 0.67458643E+03 F= 0.63462033E+03 E0= 0.66262695E+03 EK= 0.58239E+02 SP= -.19E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322839141047E+03 -0.11905E+01 -0.14146E-01 8072 0.252E+01 0.151E-01 RMM: 2 -0.322855907333E+03 -0.16766E-01 -0.15952E-01 4792 0.927E-01 0.535E-01 RMM: 3 -0.322853429537E+03 0.24778E-02 -0.17310E-02 6299 0.234E-01 0.122E-01 RMM: 4 -0.322853097068E+03 0.33247E-03 -0.70439E-04 4668 0.680E-02 0.122E-01 RMM: 5 -0.322852991574E+03 0.10549E-03 -0.10898E-04 3691 0.310E-02 0.541E-02 RMM: 6 -0.322852978119E+03 0.13455E-04 -0.25147E-05 2557 0.148E-02 1291 T= 7206. E= 0.67458000E+03 F= 0.63341601E+03 E0= 0.66146418E+03 EK= 0.58681E+02 SP= -.18E+02 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324179401068E+03 -0.13264E+01 -0.14074E-01 8160 0.254E+01 0.175E-01 RMM: 2 -0.324198947246E+03 -0.19546E-01 -0.14859E-01 4926 0.881E-01 0.917E-01 RMM: 3 -0.324192405976E+03 0.65413E-02 -0.15748E-02 5909 0.237E-01 0.168E-01 RMM: 4 -0.324192006064E+03 0.39991E-03 -0.74834E-04 4911 0.612E-02 0.803E-02 RMM: 5 -0.324191965293E+03 0.40771E-04 -0.10479E-04 3909 0.274E-02 0.636E-02 RMM: 6 -0.324191948168E+03 0.17126E-04 -0.23823E-05 2552 0.145E-02 1292 T= 7272. E= 0.67457248E+03 F= 0.63207704E+03 E0= 0.66018251E+03 EK= 0.59221E+02 SP= -.18E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325553844520E+03 -0.13619E+01 -0.13754E-01 8144 0.256E+01 0.256E-01 RMM: 2 -0.325579432153E+03 -0.25588E-01 -0.14088E-01 4835 0.884E-01 0.138E+00 RMM: 3 -0.325565697496E+03 0.13735E-01 -0.16426E-02 5577 0.276E-01 0.250E-01 RMM: 4 -0.325565173425E+03 0.52407E-03 -0.13641E-03 4916 0.765E-02 0.846E-02 RMM: 5 -0.325565151385E+03 0.22039E-04 -0.17699E-04 3986 0.318E-02 0.839E-02 RMM: 6 -0.325565109904E+03 0.41482E-04 -0.34326E-05 2849 0.177E-02 0.438E-02 RMM: 7 -0.325565117554E+03 -0.76506E-05 -0.20731E-05 2530 0.142E-02 1293 T= 7338. E= 0.67456414E+03 F= 0.63070387E+03 E0= 0.65887839E+03 EK= 0.59753E+02 SP= -.17E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326854102237E+03 -0.12890E+01 -0.14080E-01 8144 0.258E+01 0.218E-01 RMM: 2 -0.326872910466E+03 -0.18808E-01 -0.12502E-01 4838 0.826E-01 0.106E+00 RMM: 3 -0.326864724278E+03 0.81862E-02 -0.14312E-02 5616 0.249E-01 0.223E-01 RMM: 4 -0.326864348348E+03 0.37593E-03 -0.11227E-03 4774 0.726E-02 0.108E-01 RMM: 5 -0.326864309373E+03 0.38974E-04 -0.17012E-04 3871 0.335E-02 0.879E-02 RMM: 6 -0.326864258534E+03 0.50839E-04 -0.38924E-05 2994 0.186E-02 0.303E-02 RMM: 7 -0.326864260987E+03 -0.24533E-05 -0.16024E-05 2501 0.128E-02 1294 T= 7389. E= 0.67455620E+03 F= 0.62940473E+03 E0= 0.65765468E+03 EK= 0.60169E+02 SP= -.16E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327975176268E+03 -0.11109E+01 -0.14557E-01 7992 0.259E+01 0.195E-01 RMM: 2 -0.327993466536E+03 -0.18290E-01 -0.12865E-01 4840 0.841E-01 0.101E+00 RMM: 3 -0.327986237142E+03 0.72294E-02 -0.14586E-02 5843 0.235E-01 0.190E-01 RMM: 4 -0.327985824412E+03 0.41273E-03 -0.81463E-04 4826 0.634E-02 0.845E-02 RMM: 5 -0.327985791932E+03 0.32480E-04 -0.12334E-04 3807 0.295E-02 0.750E-02 RMM: 6 -0.327985758422E+03 0.33510E-04 -0.30369E-05 2749 0.166E-02 0.393E-02 RMM: 7 -0.327985758921E+03 -0.49929E-06 -0.18364E-05 2510 0.134E-02 1295 T= 7413. E= 0.67454968E+03 F= 0.62828323E+03 E0= 0.65660856E+03 EK= 0.60365E+02 SP= -.15E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328833472325E+03 -0.84771E+00 -0.13925E-01 7984 0.260E+01 0.148E-01 RMM: 2 -0.328846668693E+03 -0.13196E-01 -0.11653E-01 4799 0.795E-01 0.628E-01 RMM: 3 -0.328843625898E+03 0.30428E-02 -0.13286E-02 6134 0.211E-01 0.133E-01 RMM: 4 -0.328843324524E+03 0.30137E-03 -0.53450E-04 4678 0.551E-02 0.931E-02 RMM: 5 -0.328843268102E+03 0.56421E-04 -0.80385E-05 3502 0.268E-02 0.534E-02 RMM: 6 -0.328843255155E+03 0.12948E-04 -0.22607E-05 2535 0.142E-02 1296 T= 7400. E= 0.67454489E+03 F= 0.62742573E+03 E0= 0.65582305E+03 EK= 0.60259E+02 SP= -.15E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329363270489E+03 -0.52000E+00 -0.14072E-01 7784 0.260E+01 0.165E-01 RMM: 2 -0.329379669508E+03 -0.16399E-01 -0.12859E-01 4785 0.827E-01 0.836E-01 RMM: 3 -0.329374549167E+03 0.51203E-02 -0.15074E-02 5918 0.227E-01 0.151E-01 RMM: 4 -0.329374199991E+03 0.34918E-03 -0.69082E-04 4914 0.581E-02 0.835E-02 RMM: 5 -0.329374151417E+03 0.48574E-04 -0.92368E-05 3812 0.260E-02 0.591E-02 RMM: 6 -0.329374138426E+03 0.12991E-04 -0.22448E-05 2531 0.143E-02 1297 T= 7343. E= 0.67454245E+03 F= 0.62689485E+03 E0= 0.65535675E+03 EK= 0.59794E+02 SP= -.14E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329538809713E+03 -0.16466E+00 -0.13484E-01 7680 0.258E+01 0.210E-01 RMM: 2 -0.329558431872E+03 -0.19622E-01 -0.10985E-01 4790 0.788E-01 0.120E+00 RMM: 3 -0.329548156317E+03 0.10276E-01 -0.13275E-02 5580 0.240E-01 0.205E-01 RMM: 4 -0.329547800045E+03 0.35627E-03 -0.99448E-04 4824 0.661E-02 0.738E-02 RMM: 5 -0.329547772994E+03 0.27052E-04 -0.11878E-04 4204 0.260E-02 0.672E-02 RMM: 6 -0.329547753582E+03 0.19411E-04 -0.21330E-05 2550 0.137E-02 1298 T= 7239. E= 0.67454293E+03 F= 0.62672124E+03 E0= 0.65523883E+03 EK= 0.58949E+02 SP= -.13E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329360954245E+03 0.18682E+00 -0.13992E-01 7432 0.255E+01 0.292E-01 RMM: 2 -0.329388962910E+03 -0.28009E-01 -0.12762E-01 4819 0.850E-01 0.157E+00 RMM: 3 -0.329371515308E+03 0.17448E-01 -0.17070E-02 5434 0.289E-01 0.302E-01 RMM: 4 -0.329370821247E+03 0.69406E-03 -0.17045E-03 4992 0.828E-02 0.783E-02 RMM: 5 -0.329370811027E+03 0.10220E-04 -0.20942E-04 4234 0.303E-02 0.892E-02 RMM: 6 -0.329370763816E+03 0.47211E-04 -0.31656E-05 2818 0.172E-02 0.437E-02 RMM: 7 -0.329370768452E+03 -0.46363E-05 -0.17815E-05 2515 0.130E-02 1299 T= 7091. E= 0.67454581E+03 F= 0.62689822E+03 E0= 0.65546247E+03 EK= 0.57743E+02 SP= -.12E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328877071575E+03 0.49369E+00 -0.12759E-01 7504 0.252E+01 0.216E-01 RMM: 2 -0.328896872888E+03 -0.19801E-01 -0.10762E-01 4789 0.754E-01 0.121E+00 RMM: 3 -0.328886177868E+03 0.10695E-01 -0.12891E-02 5479 0.239E-01 0.210E-01 RMM: 4 -0.328885902833E+03 0.27503E-03 -0.11920E-03 4748 0.734E-02 0.127E-01 RMM: 5 -0.328885860011E+03 0.42822E-04 -0.18044E-04 3892 0.349E-02 0.102E-01 RMM: 6 -0.328885790680E+03 0.69331E-04 -0.50552E-05 3199 0.208E-02 0.299E-02 RMM: 7 -0.328885791141E+03 -0.46038E-06 -0.14314E-05 2503 0.120E-02 1300 T= 6905. E= 0.67455140E+03 F= 0.62738320E+03 E0= 0.65598574E+03 EK= 0.56231E+02 SP= -.11E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328160193564E+03 0.72560E+00 -0.12560E-01 7608 0.247E+01 0.226E-01 RMM: 2 -0.328180861318E+03 -0.20668E-01 -0.10928E-01 4839 0.781E-01 0.128E+00 RMM: 3 -0.328169320612E+03 0.11541E-01 -0.13308E-02 5516 0.239E-01 0.199E-01 RMM: 4 -0.328168986790E+03 0.33382E-03 -0.10283E-03 4932 0.651E-02 0.841E-02 RMM: 5 -0.328168949300E+03 0.37490E-04 -0.13000E-04 3880 0.286E-02 0.752E-02 RMM: 6 -0.328168914806E+03 0.34494E-04 -0.29553E-05 2747 0.165E-02 0.374E-02 RMM: 7 -0.328168916208E+03 -0.14020E-05 -0.15571E-05 2504 0.123E-02 1301 T= 6693. E= 0.67455872E+03 F= 0.62810007E+03 E0= 0.65673306E+03 EK= 0.54502E+02 SP= -.10E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327312812341E+03 0.85610E+00 -0.11610E-01 7624 0.242E+01 0.147E-01 RMM: 2 -0.327324030227E+03 -0.11218E-01 -0.93390E-02 4796 0.725E-01 0.657E-01 RMM: 3 -0.327321011857E+03 0.30184E-02 -0.11338E-02 5956 0.194E-01 0.125E-01 RMM: 4 -0.327320774513E+03 0.23734E-03 -0.50936E-04 4650 0.521E-02 0.901E-02 RMM: 5 -0.327320721477E+03 0.53035E-04 -0.71694E-05 3486 0.249E-02 0.525E-02 RMM: 6 -0.327320709901E+03 0.11576E-04 -0.20265E-05 2524 0.135E-02 1302 T= 6468. E= 0.67456710E+03 F= 0.62894828E+03 E0= 0.65760501E+03 EK= 0.52668E+02 SP= -.90E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326447600705E+03 0.87312E+00 -0.10803E-01 7648 0.237E+01 0.168E-01 RMM: 2 -0.326460636227E+03 -0.13036E-01 -0.93731E-02 4818 0.718E-01 0.840E-01 RMM: 3 -0.326455731957E+03 0.49043E-02 -0.11357E-02 5793 0.203E-01 0.138E-01 RMM: 4 -0.326455488557E+03 0.24340E-03 -0.60807E-04 4769 0.537E-02 0.829E-02 RMM: 5 -0.326455443193E+03 0.45364E-04 -0.77017E-05 3691 0.231E-02 0.606E-02 RMM: 6 -0.326455427719E+03 0.15475E-04 -0.20686E-05 2524 0.138E-02 1303 T= 6245. E= 0.67457599E+03 F= 0.62981356E+03 E0= 0.65848770E+03 EK= 0.50853E+02 SP= -.80E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325681994994E+03 0.77345E+00 -0.10483E-01 7544 0.231E+01 0.250E-01 RMM: 2 -0.325702076082E+03 -0.20081E-01 -0.93927E-02 4812 0.744E-01 0.134E+00 RMM: 3 -0.325689654232E+03 0.12422E-01 -0.12519E-02 5423 0.249E-01 0.233E-01 RMM: 4 -0.325689250130E+03 0.40410E-03 -0.11682E-03 4802 0.680E-02 0.707E-02 RMM: 5 -0.325689237775E+03 0.12355E-04 -0.13305E-04 3965 0.285E-02 1304 T= 6039. E= 0.67458459E+03 F= 0.63057975E+03 E0= 0.65926499E+03 EK= 0.49178E+02 SP= -.70E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325117299726E+03 0.57195E+00 -0.10316E-01 7640 0.227E+01 0.153E-01 RMM: 2 -0.325130537606E+03 -0.13238E-01 -0.97476E-02 4859 0.718E-01 0.800E-01 RMM: 3 -0.325125965025E+03 0.45726E-02 -0.11492E-02 5810 0.200E-01 0.179E-01 RMM: 4 -0.325125606055E+03 0.35897E-03 -0.62372E-04 4675 0.557E-02 0.760E-02 RMM: 5 -0.325125585407E+03 0.20648E-04 -0.89055E-05 3680 0.256E-02 0.657E-02 RMM: 6 -0.325125564269E+03 0.21138E-04 -0.23245E-05 2556 0.143E-02 0.464E-02 RMM: 7 -0.325125579561E+03 -0.15292E-04 -0.32569E-05 2705 0.167E-02 1305 T= 5863. E= 0.67459122E+03 F= 0.63114341E+03 E0= 0.65983353E+03 EK= 0.47748E+02 SP= -.61E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324834141390E+03 0.29142E+00 -0.10795E-01 7568 0.223E+01 0.204E-01 RMM: 2 -0.324848984396E+03 -0.14843E-01 -0.12278E-01 4693 0.815E-01 0.782E-01 RMM: 3 -0.324844521139E+03 0.44633E-02 -0.14695E-02 5921 0.219E-01 0.133E-01 RMM: 4 -0.324844342472E+03 0.17867E-03 -0.80849E-04 4833 0.636E-02 0.168E-01 RMM: 5 -0.324844203754E+03 0.13872E-03 -0.14935E-04 3831 0.314E-02 0.955E-02 RMM: 6 -0.324844143923E+03 0.59831E-04 -0.50944E-05 3234 0.210E-02 0.225E-02 RMM: 7 -0.324844151400E+03 -0.74770E-05 -0.15224E-05 2510 0.126E-02 1306 T= 5727. E= 0.67459494E+03 F= 0.63142484E+03 E0= 0.66011424E+03 EK= 0.46641E+02 SP= -.52E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324884379914E+03 -0.40236E-01 -0.10073E-01 7728 0.221E+01 0.145E-01 RMM: 2 -0.324898413226E+03 -0.14033E-01 -0.11472E-01 4846 0.771E-01 0.729E-01 RMM: 3 -0.324894592264E+03 0.38210E-02 -0.13376E-02 6134 0.199E-01 0.147E-01 RMM: 4 -0.324894201759E+03 0.39050E-03 -0.53527E-04 4619 0.543E-02 0.654E-02 RMM: 5 -0.324894167036E+03 0.34723E-04 -0.74720E-05 3566 0.232E-02 0.582E-02 RMM: 6 -0.324894151582E+03 0.15454E-04 -0.22485E-05 2543 0.142E-02 1307 T= 5637. E= 0.67459636E+03 F= 0.63137484E+03 E0= 0.66005887E+03 EK= 0.45906E+02 SP= -.43E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325281801489E+03 -0.38763E+00 -0.10710E-01 7728 0.220E+01 0.158E-01 RMM: 2 -0.325297973751E+03 -0.16172E-01 -0.12242E-01 4809 0.796E-01 0.854E-01 RMM: 3 -0.325292624783E+03 0.53490E-02 -0.14069E-02 5826 0.215E-01 0.149E-01 RMM: 4 -0.325292286858E+03 0.33793E-03 -0.72309E-04 5238 0.537E-02 0.670E-02 RMM: 5 -0.325292250749E+03 0.36109E-04 -0.73738E-05 3305 0.243E-02 0.582E-02 RMM: 6 -0.325292244281E+03 0.64685E-05 -0.25360E-05 2586 0.147E-02 1308 T= 5594. E= 0.67459563E+03 F= 0.63097675E+03 E0= 0.65965154E+03 EK= 0.45555E+02 SP= -.34E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326018684278E+03 -0.72643E+00 -0.99567E-02 7616 0.221E+01 0.288E-01 RMM: 2 -0.326048260921E+03 -0.29577E-01 -0.11548E-01 4840 0.793E-01 0.170E+00 RMM: 3 -0.326027961677E+03 0.20299E-01 -0.15590E-02 5424 0.278E-01 0.235E-01 RMM: 4 -0.326027545365E+03 0.41631E-03 -0.15547E-03 4852 0.769E-02 0.940E-02 RMM: 5 -0.326027544300E+03 0.10648E-05 -0.18757E-04 3917 0.322E-02 1309 T= 5596. E= 0.67459322E+03 F= 0.63024144E+03 E0= 0.65890439E+03 EK= 0.45572E+02 SP= -.26E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327055585418E+03 -0.10280E+01 -0.99176E-02 7744 0.222E+01 0.296E-01 RMM: 2 -0.327083866323E+03 -0.28281E-01 -0.12808E-01 4864 0.847E-01 0.160E+00 RMM: 3 -0.327066379951E+03 0.17486E-01 -0.16950E-02 5422 0.289E-01 0.366E-01 RMM: 4 -0.327065421023E+03 0.95893E-03 -0.17222E-03 4913 0.840E-02 0.784E-02 RMM: 5 -0.327065409777E+03 0.11246E-04 -0.21239E-04 3938 0.342E-02 0.859E-02 RMM: 6 -0.327065360552E+03 0.49225E-04 -0.35446E-05 2852 0.168E-02 0.471E-02 RMM: 7 -0.327065362330E+03 -0.17780E-05 -0.22526E-05 2543 0.148E-02 1310 T= 5639. E= 0.67458980E+03 F= 0.62920363E+03 E0= 0.65785309E+03 EK= 0.45917E+02 SP= -.18E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328345292434E+03 -0.12799E+01 -0.98852E-02 7600 0.224E+01 0.250E-01 RMM: 2 -0.328366047162E+03 -0.20755E-01 -0.11589E-01 4777 0.806E-01 0.127E+00 RMM: 3 -0.328354858157E+03 0.11189E-01 -0.14304E-02 5497 0.251E-01 0.188E-01 RMM: 4 -0.328354598595E+03 0.25956E-03 -0.12009E-03 5140 0.658E-02 0.103E-01 RMM: 5 -0.328354559451E+03 0.39143E-04 -0.14745E-04 3877 0.311E-02 0.911E-02 RMM: 6 -0.328354505920E+03 0.53531E-04 -0.40845E-05 3081 0.187E-02 0.236E-02 RMM: 7 -0.328354508965E+03 -0.30444E-05 -0.12487E-05 2498 0.115E-02 1311 T= 5714. E= 0.67458519E+03 F= 0.62791448E+03 E0= 0.65655041E+03 EK= 0.46535E+02 SP= -.99E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329821760304E+03 -0.14673E+01 -0.97550E-02 7600 0.226E+01 0.200E-01 RMM: 2 -0.329837514445E+03 -0.15754E-01 -0.11572E-01 4900 0.790E-01 0.896E-01 RMM: 3 -0.329831817105E+03 0.56973E-02 -0.13474E-02 5773 0.218E-01 0.194E-01 RMM: 4 -0.329831398174E+03 0.41893E-03 -0.84040E-04 4764 0.633E-02 0.965E-02 RMM: 5 -0.329831347347E+03 0.50828E-04 -0.12847E-04 3778 0.293E-02 0.744E-02 RMM: 6 -0.329831310807E+03 0.36540E-04 -0.27984E-05 2655 0.158E-02 0.367E-02 RMM: 7 -0.329831306361E+03 0.44465E-05 -0.16797E-05 2498 0.127E-02 1312 T= 5815. E= 0.67457943E+03 F= 0.62643768E+03 E0= 0.65506018E+03 EK= 0.47354E+02 SP= -.26E+00 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331413958759E+03 -0.15826E+01 -0.10118E-01 7824 0.229E+01 0.162E-01 RMM: 2 -0.331427158517E+03 -0.13200E-01 -0.10780E-01 4849 0.761E-01 0.732E-01 RMM: 3 -0.331423426183E+03 0.37323E-02 -0.12597E-02 5935 0.202E-01 0.131E-01 RMM: 4 -0.331423124755E+03 0.30143E-03 -0.60439E-04 4980 0.529E-02 0.785E-02 RMM: 5 -0.331423083603E+03 0.41152E-04 -0.74894E-05 3560 0.246E-02 0.576E-02 RMM: 6 -0.331423067462E+03 0.16141E-04 -0.20625E-05 2530 0.136E-02 1313 T= 5931. E= 0.67457322E+03 F= 0.62484592E+03 E0= 0.65345601E+03 EK= 0.48300E+02 SP= 0.45E+00 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333043543668E+03 -0.16205E+01 -0.10371E-01 7672 0.232E+01 0.183E-01 RMM: 2 -0.333057218336E+03 -0.13675E-01 -0.96652E-02 4942 0.726E-01 0.874E-01 RMM: 3 -0.333051963038E+03 0.52553E-02 -0.11392E-02 5699 0.205E-01 0.168E-01 RMM: 4 -0.333051665689E+03 0.29735E-03 -0.71561E-04 4784 0.573E-02 0.867E-02 RMM: 5 -0.333051611563E+03 0.54126E-04 -0.98119E-05 3742 0.256E-02 0.631E-02 RMM: 6 -0.333051589180E+03 0.22383E-04 -0.22493E-05 2549 0.143E-02 0.393E-02 RMM: 7 -0.333051585888E+03 0.32920E-05 -0.14814E-05 2483 0.122E-02 1314 T= 6053. E= 0.67456661E+03 F= 0.62321740E+03 E0= 0.65181633E+03 EK= 0.49290E+02 SP= 0.11E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334629362190E+03 -0.15778E+01 -0.10002E-01 7424 0.234E+01 0.193E-01 RMM: 2 -0.334642334403E+03 -0.12972E-01 -0.81252E-02 4975 0.684E-01 0.954E-01 RMM: 3 -0.334636253271E+03 0.60811E-02 -0.95012E-03 5657 0.194E-01 0.182E-01 RMM: 4 -0.334635963091E+03 0.29018E-03 -0.74663E-04 4633 0.619E-02 0.100E-01 RMM: 5 -0.334635917869E+03 0.45222E-04 -0.11893E-04 3752 0.288E-02 0.762E-02 RMM: 6 -0.334635881017E+03 0.36852E-04 -0.26842E-05 2644 0.160E-02 0.299E-02 RMM: 7 -0.334635880215E+03 0.80130E-06 -0.15792E-05 2491 0.124E-02 1315 T= 6169. E= 0.67456003E+03 F= 0.62163311E+03 E0= 0.65022187E+03 EK= 0.50238E+02 SP= 0.18E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336091243319E+03 -0.14554E+01 -0.10242E-01 7600 0.237E+01 0.157E-01 RMM: 2 -0.336102321022E+03 -0.11078E-01 -0.83824E-02 4897 0.686E-01 0.742E-01 RMM: 3 -0.336098516113E+03 0.38049E-02 -0.98555E-03 5808 0.188E-01 0.124E-01 RMM: 4 -0.336098334693E+03 0.18142E-03 -0.50562E-04 4608 0.513E-02 0.102E-01 RMM: 5 -0.336098257078E+03 0.77615E-04 -0.80923E-05 3538 0.261E-02 0.507E-02 RMM: 6 -0.336098245726E+03 0.11352E-04 -0.22958E-05 2535 0.142E-02 1316 T= 6271. E= 0.67455457E+03 F= 0.62017074E+03 E0= 0.64874952E+03 EK= 0.51067E+02 SP= 0.25E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337364868900E+03 -0.12666E+01 -0.10262E-01 7488 0.239E+01 0.160E-01 RMM: 2 -0.337377139644E+03 -0.12271E-01 -0.78345E-02 4916 0.669E-01 0.872E-01 RMM: 3 -0.337371665108E+03 0.54745E-02 -0.90774E-03 5575 0.192E-01 0.163E-01 RMM: 4 -0.337371414011E+03 0.25110E-03 -0.60561E-04 4619 0.544E-02 0.704E-02 RMM: 5 -0.337371378775E+03 0.35236E-04 -0.76888E-05 3584 0.241E-02 0.565E-02 RMM: 6 -0.337371363629E+03 0.15146E-04 -0.20250E-05 2520 0.137E-02 1317 T= 6350. E= 0.67455012E+03 F= 0.61889763E+03 E0= 0.64746635E+03 EK= 0.51707E+02 SP= 0.31E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338394542295E+03 -0.10232E+01 -0.10423E-01 7472 0.240E+01 0.222E-01 RMM: 2 -0.338413096995E+03 -0.18555E-01 -0.87740E-02 4810 0.726E-01 0.127E+00 RMM: 3 -0.338401805485E+03 0.11292E-01 -0.11355E-02 5470 0.234E-01 0.207E-01 RMM: 4 -0.338401463184E+03 0.34230E-03 -0.94105E-04 4732 0.635E-02 0.723E-02 RMM: 5 -0.338401430644E+03 0.32540E-04 -0.11544E-04 3907 0.281E-02 0.613E-02 RMM: 6 -0.338401411135E+03 0.19509E-04 -0.23734E-05 2549 0.144E-02 1318 T= 6398. E= 0.67454697E+03 F= 0.61786758E+03 E0= 0.64642581E+03 EK= 0.52105E+02 SP= 0.38E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339147024111E+03 -0.74559E+00 -0.10021E-01 7560 0.241E+01 0.229E-01 RMM: 2 -0.339163957208E+03 -0.16933E-01 -0.72414E-02 4854 0.661E-01 0.125E+00 RMM: 3 -0.339153000672E+03 0.10957E-01 -0.97441E-03 5394 0.228E-01 0.255E-01 RMM: 4 -0.339152515464E+03 0.48521E-03 -0.10441E-03 4679 0.699E-02 0.710E-02 RMM: 5 -0.339152500828E+03 0.14637E-04 -0.12532E-04 3945 0.275E-02 1319 T= 6413. E= 0.67454661E+03 F= 0.61711649E+03 E0= 0.64566347E+03 EK= 0.52227E+02 SP= 0.44E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339607194131E+03 -0.45468E+00 -0.10033E-01 7704 0.241E+01 0.130E-01 RMM: 2 -0.339616237295E+03 -0.90432E-02 -0.66125E-02 4886 0.618E-01 0.670E-01 RMM: 3 -0.339613006935E+03 0.32304E-02 -0.76010E-03 5585 0.178E-01 0.150E-01 RMM: 4 -0.339612822012E+03 0.18492E-03 -0.44482E-04 4473 0.475E-02 0.689E-02 RMM: 5 -0.339612789272E+03 0.32740E-04 -0.52057E-05 3148 0.219E-02 0.547E-02 RMM: 6 -0.339612781343E+03 0.79291E-05 -0.20215E-05 2507 0.137E-02 1320 T= 6393. E= 0.67454785E+03 F= 0.61665621E+03 E0= 0.64519091E+03 EK= 0.52063E+02 SP= 0.50E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339788836557E+03 -0.17605E+00 -0.10076E-01 7464 0.240E+01 0.260E-01 RMM: 2 -0.339805039067E+03 -0.16203E-01 -0.73391E-02 4756 0.687E-01 0.125E+00 RMM: 3 -0.339794501686E+03 0.10537E-01 -0.10497E-02 5372 0.244E-01 0.251E-01 RMM: 4 -0.339794055393E+03 0.44629E-03 -0.10543E-03 4675 0.672E-02 0.735E-02 RMM: 5 -0.339794067569E+03 -0.12176E-04 -0.14144E-04 3874 0.305E-02 1321 T= 6340. E= 0.67455106E+03 F= 0.61647492E+03 E0= 0.64499716E+03 EK= 0.51630E+02 SP= 0.57E+01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339724268988E+03 0.69786E-01 -0.10342E-01 7736 0.238E+01 0.167E-01 RMM: 2 -0.339736690329E+03 -0.12421E-01 -0.79961E-02 4786 0.682E-01 0.872E-01 RMM: 3 -0.339731377107E+03 0.53132E-02 -0.10005E-02 5488 0.210E-01 0.171E-01 RMM: 4 -0.339731160750E+03 0.21636E-03 -0.69613E-04 4725 0.569E-02 0.920E-02 RMM: 5 -0.339731101963E+03 0.58787E-04 -0.87765E-05 3684 0.263E-02 0.556E-02 RMM: 6 -0.339731086793E+03 0.15170E-04 -0.21357E-05 2523 0.137E-02 1322 T= 6259. E= 0.67455650E+03 F= 0.61653790E+03 E0= 0.64504796E+03 EK= 0.50967E+02 SP= 0.63E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339472084883E+03 0.25902E+00 -0.11189E-01 7440 0.236E+01 0.186E-01 RMM: 2 -0.339488566235E+03 -0.16481E-01 -0.10999E-01 4666 0.816E-01 0.993E-01 RMM: 3 -0.339481654346E+03 0.69119E-02 -0.13252E-02 5646 0.231E-01 0.187E-01 RMM: 4 -0.339481294842E+03 0.35950E-03 -0.84497E-04 4965 0.612E-02 0.593E-02 RMM: 5 -0.339481273835E+03 0.21007E-04 -0.99999E-05 3836 0.266E-02 0.542E-02 RMM: 6 -0.339481259896E+03 0.13939E-04 -0.20493E-05 2523 0.130E-02 1323 T= 6156. E= 0.67456176E+03 F= 0.61678773E+03 E0= 0.64528794E+03 EK= 0.50135E+02 SP= 0.69E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339111061508E+03 0.37021E+00 -0.10161E-01 7600 0.234E+01 0.270E-01 RMM: 2 -0.339133267712E+03 -0.22206E-01 -0.77833E-02 4840 0.694E-01 0.152E+00 RMM: 3 -0.339117208683E+03 0.16059E-01 -0.11670E-02 5361 0.256E-01 0.263E-01 RMM: 4 -0.339116726099E+03 0.48258E-03 -0.12464E-03 4694 0.734E-02 0.814E-02 RMM: 5 -0.339116727078E+03 -0.97980E-06 -0.15295E-04 3908 0.305E-02 1324 T= 6043. E= 0.67456881E+03 F= 0.61715226E+03 E0= 0.64564608E+03 EK= 0.49212E+02 SP= 0.75E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338713027466E+03 0.40370E+00 -0.99464E-02 7760 0.231E+01 0.190E-01 RMM: 2 -0.338727878897E+03 -0.14851E-01 -0.75237E-02 4886 0.660E-01 0.109E+00 RMM: 3 -0.338719493689E+03 0.83852E-02 -0.91998E-03 5423 0.210E-01 0.207E-01 RMM: 4 -0.338719180432E+03 0.31326E-03 -0.79635E-04 4663 0.593E-02 0.674E-02 RMM: 5 -0.338719155070E+03 0.25361E-04 -0.94693E-05 3820 0.255E-02 0.593E-02 RMM: 6 -0.338719136571E+03 0.18499E-04 -0.21035E-05 2532 0.134E-02 1325 T= 5929. E= 0.67457596E+03 F= 0.61754985E+03 E0= 0.64604250E+03 EK= 0.48283E+02 SP= 0.81E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338364346933E+03 0.35481E+00 -0.98170E-02 7520 0.228E+01 0.142E-01 RMM: 2 -0.338373099310E+03 -0.87524E-02 -0.63596E-02 4922 0.608E-01 0.684E-01 RMM: 3 -0.338369815367E+03 0.32839E-02 -0.71520E-03 5576 0.170E-01 0.147E-01 RMM: 4 -0.338369633512E+03 0.18186E-03 -0.45830E-04 4446 0.470E-02 0.690E-02 RMM: 5 -0.338369602694E+03 0.30818E-04 -0.57495E-05 3262 0.220E-02 0.509E-02 RMM: 6 -0.338369591238E+03 0.11457E-04 -0.19035E-05 2507 0.133E-02 1326 T= 5824. E= 0.67458193E+03 F= 0.61789940E+03 E0= 0.64639616E+03 EK= 0.47431E+02 SP= 0.86E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338135283272E+03 0.23432E+00 -0.96458E-02 7616 0.225E+01 0.276E-01 RMM: 2 -0.338157960012E+03 -0.22677E-01 -0.64615E-02 5064 0.641E-01 0.163E+00 RMM: 3 -0.338139979090E+03 0.17981E-01 -0.97857E-03 5359 0.242E-01 0.253E-01 RMM: 4 -0.338139518028E+03 0.46106E-03 -0.10813E-03 4626 0.679E-02 0.684E-02 RMM: 5 -0.338139521121E+03 -0.30934E-05 -0.12784E-04 3865 0.284E-02 1327 T= 5738. E= 0.67458692E+03 F= 0.61812947E+03 E0= 0.64663526E+03 EK= 0.46728E+02 SP= 0.92E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338074769859E+03 0.64748E-01 -0.93695E-02 7568 0.222E+01 0.151E-01 RMM: 2 -0.338084962331E+03 -0.10192E-01 -0.59573E-02 5041 0.585E-01 0.847E-01 RMM: 3 -0.338079944922E+03 0.50174E-02 -0.67183E-03 5466 0.172E-01 0.181E-01 RMM: 4 -0.338079699519E+03 0.24540E-03 -0.55010E-04 4515 0.506E-02 0.624E-02 RMM: 5 -0.338079671503E+03 0.28017E-04 -0.65849E-05 3420 0.225E-02 0.500E-02 RMM: 6 -0.338079660640E+03 0.10863E-04 -0.19734E-05 2522 0.133E-02 1328 T= 5676. E= 0.67459015E+03 F= 0.61818933E+03 E0= 0.64670820E+03 EK= 0.46226E+02 SP= 0.97E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338209306412E+03 -0.12963E+00 -0.95481E-02 7544 0.221E+01 0.169E-01 RMM: 2 -0.338221454588E+03 -0.12148E-01 -0.70821E-02 4856 0.645E-01 0.945E-01 RMM: 3 -0.338215339408E+03 0.61152E-02 -0.83239E-03 5537 0.187E-01 0.151E-01 RMM: 4 -0.338215137202E+03 0.20221E-03 -0.62009E-04 4653 0.528E-02 0.686E-02 RMM: 5 -0.338215119328E+03 0.17874E-04 -0.76313E-05 3600 0.232E-02 1329 T= 5642. E= 0.67459106E+03 F= 0.61805387E+03 E0= 0.64658797E+03 EK= 0.45947E+02 SP= 0.10E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338537401585E+03 -0.32226E+00 -0.93022E-02 7648 0.219E+01 0.172E-01 RMM: 2 -0.338548020957E+03 -0.10619E-01 -0.66239E-02 4961 0.635E-01 0.870E-01 RMM: 3 -0.338542995137E+03 0.50258E-02 -0.78412E-03 5524 0.186E-01 0.181E-01 RMM: 4 -0.338542732702E+03 0.26243E-03 -0.58646E-04 4818 0.511E-02 0.653E-02 RMM: 5 -0.338542703619E+03 0.29084E-04 -0.74096E-05 3503 0.238E-02 0.561E-02 RMM: 6 -0.338542687458E+03 0.16161E-04 -0.21283E-05 2540 0.138E-02 1330 T= 5635. E= 0.67458990E+03 F= 0.61772630E+03 E0= 0.64627532E+03 EK= 0.45889E+02 SP= 0.11E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339024462919E+03 -0.48176E+00 -0.99266E-02 7648 0.219E+01 0.174E-01 RMM: 2 -0.339039034359E+03 -0.14571E-01 -0.79398E-02 4726 0.684E-01 0.106E+00 RMM: 3 -0.339031229047E+03 0.78053E-02 -0.95667E-03 5518 0.206E-01 0.145E-01 RMM: 4 -0.339031047810E+03 0.18124E-03 -0.71710E-04 4984 0.530E-02 0.621E-02 RMM: 5 -0.339031027503E+03 0.20306E-04 -0.74701E-05 3540 0.240E-02 0.575E-02 RMM: 6 -0.339031009307E+03 0.18196E-04 -0.19651E-05 2518 0.132E-02 1331 T= 5651. E= 0.67458664E+03 F= 0.61723798E+03 E0= 0.64580024E+03 EK= 0.46018E+02 SP= 0.11E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339620990573E+03 -0.58996E+00 -0.89307E-02 7776 0.219E+01 0.220E-01 RMM: 2 -0.339635133777E+03 -0.14143E-01 -0.65220E-02 4951 0.629E-01 0.114E+00 RMM: 3 -0.339626200719E+03 0.89331E-02 -0.84172E-03 5396 0.210E-01 0.232E-01 RMM: 4 -0.339625819213E+03 0.38151E-03 -0.87085E-04 4677 0.617E-02 0.699E-02 RMM: 5 -0.339625808690E+03 0.10522E-04 -0.11786E-04 3825 0.279E-02 1332 T= 5683. E= 0.67458255E+03 F= 0.61664318E+03 E0= 0.64521452E+03 EK= 0.46279E+02 SP= 0.11E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340254249393E+03 -0.62843E+00 -0.90192E-02 7936 0.219E+01 0.131E-01 RMM: 2 -0.340262286162E+03 -0.80368E-02 -0.57642E-02 5016 0.568E-01 0.658E-01 RMM: 3 -0.340259278569E+03 0.30076E-02 -0.63700E-03 5633 0.157E-01 0.140E-01 RMM: 4 -0.340259093704E+03 0.18486E-03 -0.39838E-04 4331 0.436E-02 0.643E-02 RMM: 5 -0.340259064409E+03 0.29295E-04 -0.46135E-05 3022 0.203E-02 0.484E-02 RMM: 6 -0.340259056258E+03 0.81513E-05 -0.18177E-05 2503 0.128E-02 1333 T= 5723. E= 0.67457854E+03 F= 0.61600993E+03 E0= 0.64458672E+03 EK= 0.46604E+02 SP= 0.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340854639072E+03 -0.59557E+00 -0.96313E-02 7632 0.220E+01 0.197E-01 RMM: 2 -0.340868405562E+03 -0.13766E-01 -0.77369E-02 4753 0.674E-01 0.101E+00 RMM: 3 -0.340861217640E+03 0.71879E-02 -0.94836E-03 5471 0.206E-01 0.214E-01 RMM: 4 -0.340860854570E+03 0.36307E-03 -0.81896E-04 4673 0.617E-02 0.656E-02 RMM: 5 -0.340860850294E+03 0.42761E-05 -0.11122E-04 3806 0.268E-02 1334 T= 5762. E= 0.67457512E+03 F= 0.61540814E+03 E0= 0.64398525E+03 EK= 0.46923E+02 SP= 0.12E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341364344440E+03 -0.50349E+00 -0.91812E-02 7800 0.221E+01 0.199E-01 RMM: 2 -0.341377559213E+03 -0.13215E-01 -0.57846E-02 5030 0.593E-01 0.112E+00 RMM: 3 -0.341369012792E+03 0.85464E-02 -0.75620E-03 5396 0.198E-01 0.184E-01 RMM: 4 -0.341368785447E+03 0.22735E-03 -0.69283E-04 4727 0.535E-02 0.770E-02 RMM: 5 -0.341368740347E+03 0.45100E-04 -0.81239E-05 3668 0.246E-02 0.628E-02 RMM: 6 -0.341368718072E+03 0.22275E-04 -0.21069E-05 2537 0.139E-02 0.373E-02 RMM: 7 -0.341368716533E+03 0.15387E-05 -0.15904E-05 2502 0.119E-02 1335 T= 5793. E= 0.67457296E+03 F= 0.61490027E+03 E0= 0.64347268E+03 EK= 0.47172E+02 SP= 0.12E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341733817247E+03 -0.36510E+00 -0.93588E-02 7672 0.221E+01 0.150E-01 RMM: 2 -0.341742133912E+03 -0.83167E-02 -0.57321E-02 4786 0.585E-01 0.715E-01 RMM: 3 -0.341738659749E+03 0.34742E-02 -0.69058E-03 5605 0.168E-01 0.149E-01 RMM: 4 -0.341738480901E+03 0.17885E-03 -0.45593E-04 4525 0.486E-02 0.705E-02 RMM: 5 -0.341738457046E+03 0.23855E-04 -0.63756E-05 3341 0.230E-02 0.535E-02 RMM: 6 -0.341738440140E+03 0.16905E-04 -0.20808E-05 2533 0.143E-02 1336 T= 5809. E= 0.67457161E+03 F= 0.61453055E+03 E0= 0.64309371E+03 EK= 0.47307E+02 SP= 0.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341942408413E+03 -0.20395E+00 -0.90423E-02 7368 0.221E+01 0.152E-01 RMM: 2 -0.341950146935E+03 -0.77385E-02 -0.47683E-02 5221 0.531E-01 0.763E-01 RMM: 3 -0.341946237575E+03 0.39094E-02 -0.48475E-03 5511 0.146E-01 0.127E-01 RMM: 4 -0.341946126887E+03 0.11069E-03 -0.37380E-04 4195 0.428E-02 0.742E-02 RMM: 5 -0.341946074450E+03 0.52437E-04 -0.45490E-05 3042 0.200E-02 0.481E-02 RMM: 6 -0.341946065365E+03 0.90852E-05 -0.19149E-05 2503 0.133E-02 1337 T= 5809. E= 0.67457148E+03 F= 0.61432292E+03 E0= 0.64287312E+03 EK= 0.47305E+02 SP= 0.13E+02 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341985842256E+03 -0.39768E-01 -0.90438E-02 7136 0.221E+01 0.178E-01 RMM: 2 -0.341995933779E+03 -0.10092E-01 -0.43047E-02 5131 0.519E-01 0.990E-01 RMM: 3 -0.341989252267E+03 0.66815E-02 -0.52863E-03 5384 0.167E-01 0.192E-01 RMM: 4 -0.341988998631E+03 0.25364E-03 -0.53523E-04 4591 0.499E-02 0.579E-02 RMM: 5 -0.341988985337E+03 0.13295E-04 -0.62172E-05 3382 0.217E-02 1338 T= 5792. E= 0.67457346E+03 F= 0.61428000E+03 E0= 0.64281485E+03 EK= 0.47163E+02 SP= 0.13E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341883423125E+03 0.10558E+00 -0.90901E-02 7232 0.221E+01 0.155E-01 RMM: 2 -0.341892031860E+03 -0.86087E-02 -0.46333E-02 5198 0.522E-01 0.835E-01 RMM: 3 -0.341887224477E+03 0.48074E-02 -0.47496E-03 5445 0.150E-01 0.167E-01 RMM: 4 -0.341887027509E+03 0.19697E-03 -0.45095E-04 4365 0.477E-02 0.684E-02 RMM: 5 -0.341886996057E+03 0.31452E-04 -0.47942E-05 3116 0.193E-02 0.614E-02 RMM: 6 -0.341886979675E+03 0.16382E-04 -0.19944E-05 2510 0.142E-02 1339 T= 5760. E= 0.67457670E+03 F= 0.61438201E+03 E0= 0.64289918E+03 EK= 0.46903E+02 SP= 0.13E+02 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341671643937E+03 0.21535E+00 -0.91738E-02 7368 0.220E+01 0.241E-01 RMM: 2 -0.341686758056E+03 -0.15114E-01 -0.58899E-02 4907 0.610E-01 0.127E+00 RMM: 3 -0.341676181563E+03 0.10576E-01 -0.85794E-03 5371 0.220E-01 0.252E-01 RMM: 4 -0.341675742639E+03 0.43892E-03 -0.88978E-04 4644 0.615E-02 0.613E-02 RMM: 5 -0.341675747447E+03 -0.48072E-05 -0.11147E-04 3808 0.272E-02 1340 T= 5718. E= 0.67458092E+03 F= 0.61459324E+03 E0= 0.64309152E+03 EK= 0.46561E+02 SP= 0.13E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341394660978E+03 0.28108E+00 -0.92950E-02 7504 0.219E+01 0.183E-01 RMM: 2 -0.341407035315E+03 -0.12374E-01 -0.52137E-02 5066 0.553E-01 0.108E+00 RMM: 3 -0.341398993342E+03 0.80420E-02 -0.63894E-03 5405 0.181E-01 0.177E-01 RMM: 4 -0.341398789347E+03 0.20399E-03 -0.63266E-04 4633 0.535E-02 0.926E-02 RMM: 5 -0.341398738450E+03 0.50897E-04 -0.79387E-05 3561 0.241E-02 0.609E-02 RMM: 6 -0.341398719165E+03 0.19284E-04 -0.21708E-05 2541 0.145E-02 1341 T= 5671. E= 0.67458567E+03 F= 0.61487027E+03 E0= 0.64334696E+03 EK= 0.46181E+02 SP= 0.14E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341096157850E+03 0.30258E+00 -0.10014E-01 7704 0.219E+01 0.166E-01 RMM: 2 -0.341107526258E+03 -0.11368E-01 -0.70871E-02 4708 0.656E-01 0.877E-01 RMM: 3 -0.341102222028E+03 0.53042E-02 -0.86750E-03 5517 0.197E-01 0.179E-01 RMM: 4 -0.341101969602E+03 0.25243E-03 -0.63428E-04 4763 0.536E-02 0.551E-02 RMM: 5 -0.341101953618E+03 0.15985E-04 -0.78501E-05 3591 0.241E-02 1342 T= 5625. E= 0.67458966E+03 F= 0.61516704E+03 E0= 0.64362125E+03 EK= 0.45809E+02 SP= 0.14E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340823700108E+03 0.27827E+00 -0.94318E-02 7712 0.218E+01 0.162E-01 RMM: 2 -0.340833006574E+03 -0.93065E-02 -0.50936E-02 5110 0.549E-01 0.867E-01 RMM: 3 -0.340827837110E+03 0.51695E-02 -0.56693E-03 5456 0.165E-01 0.159E-01 RMM: 4 -0.340827648174E+03 0.18894E-03 -0.48437E-04 4563 0.470E-02 0.669E-02 RMM: 5 -0.340827618511E+03 0.29663E-04 -0.52509E-05 3211 0.208E-02 0.519E-02 RMM: 6 -0.340827606332E+03 0.12180E-04 -0.20139E-05 2512 0.139E-02 1343 T= 5586. E= 0.67459296E+03 F= 0.61544138E+03 E0= 0.64387127E+03 EK= 0.45487E+02 SP= 0.14E+02 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340605451009E+03 0.22217E+00 -0.97989E-02 7688 0.218E+01 0.202E-01 RMM: 2 -0.340617382800E+03 -0.11932E-01 -0.54075E-02 4854 0.575E-01 0.106E+00 RMM: 3 -0.340609694101E+03 0.76887E-02 -0.71557E-03 5403 0.195E-01 0.202E-01 RMM: 4 -0.340609407137E+03 0.28696E-03 -0.70616E-04 4638 0.564E-02 0.646E-02 RMM: 5 -0.340609404253E+03 0.28837E-05 -0.90772E-05 3708 0.250E-02 1344 T= 5557. E= 0.67459550E+03 F= 0.61565959E+03 E0= 0.64406493E+03 EK= 0.45252E+02 SP= 0.14E+02 SK= 0.49E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.340463978960E+03 0.14543E+00 -0.94620E-02 7744 0.219E+01 0.183E-01 RMM: 2 -0.340476435599E+03 -0.12457E-01 -0.51842E-02 5112 0.557E-01 0.110E+00 RMM: 3 -0.340468085482E+03 0.83501E-02 -0.62850E-03 5419 0.181E-01 0.161E-01 RMM: 4 -0.340467904045E+03 0.18144E-03 -0.59107E-04 4686 0.501E-02 0.723E-02 RMM: 5 -0.340467866952E+03 0.37093E-04 -0.61418E-05 3387 0.217E-02 0.576E-02 RMM: 6 -0.340467850258E+03 0.16694E-04 -0.20101E-05 2525 0.137E-02 1345 T= 5541. E= 0.67459734E+03 F= 0.61580114E+03 E0= 0.64418122E+03 EK= 0.45124E+02 SP= 0.14E+02 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340405363168E+03 0.62504E-01 -0.96109E-02 7560 0.219E+01 0.156E-01 RMM: 2 -0.340415548751E+03 -0.10186E-01 -0.68861E-02 4798 0.633E-01 0.784E-01 RMM: 3 -0.340411248166E+03 0.43006E-02 -0.81764E-03 5604 0.182E-01 0.151E-01 RMM: 4 -0.340411030819E+03 0.21735E-03 -0.51167E-04 4685 0.482E-02 0.579E-02 RMM: 5 -0.340411011604E+03 0.19215E-04 -0.58287E-05 3217 0.222E-02 1346 T= 5539. E= 0.67459786E+03 F= 0.61585798E+03 E0= 0.64421440E+03 EK= 0.45110E+02 SP= 0.14E+02 SK= 0.93E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340426456354E+03 -0.15426E-01 -0.95276E-02 7640 0.220E+01 0.199E-01 RMM: 2 -0.340438431469E+03 -0.11975E-01 -0.57328E-02 5068 0.600E-01 0.105E+00 RMM: 3 -0.340431076854E+03 0.73546E-02 -0.70075E-03 5427 0.189E-01 0.223E-01 RMM: 4 -0.340430705482E+03 0.37137E-03 -0.69297E-04 4648 0.568E-02 0.678E-02 RMM: 5 -0.340430678362E+03 0.27121E-04 -0.80826E-05 3650 0.236E-02 0.602E-02 RMM: 6 -0.340430659661E+03 0.18700E-04 -0.20174E-05 2533 0.138E-02 1347 T= 5551. E= 0.67459747E+03 F= 0.61583833E+03 E0= 0.64417342E+03 EK= 0.45203E+02 SP= 0.14E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340496963210E+03 -0.66285E-01 -0.10284E-01 7600 0.221E+01 0.154E-01 RMM: 2 -0.340507928296E+03 -0.10965E-01 -0.80610E-02 4722 0.694E-01 0.738E-01 RMM: 3 -0.340503991108E+03 0.39372E-02 -0.96483E-03 5660 0.194E-01 0.136E-01 RMM: 4 -0.340503790319E+03 0.20079E-03 -0.54676E-04 4884 0.498E-02 0.627E-02 RMM: 5 -0.340503758323E+03 0.31996E-04 -0.62030E-05 3243 0.229E-02 0.465E-02 RMM: 6 -0.340503749075E+03 0.92483E-05 -0.19707E-05 2507 0.136E-02 1348 T= 5573. E= 0.67459576E+03 F= 0.61576524E+03 E0= 0.64408295E+03 EK= 0.45379E+02 SP= 0.13E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340592128472E+03 -0.88370E-01 -0.95711E-02 7744 0.223E+01 0.239E-01 RMM: 2 -0.340610653315E+03 -0.18525E-01 -0.66480E-02 4945 0.649E-01 0.139E+00 RMM: 3 -0.340597191736E+03 0.13462E-01 -0.87838E-03 5378 0.220E-01 0.219E-01 RMM: 4 -0.340596849006E+03 0.34273E-03 -0.95598E-04 4647 0.654E-02 0.724E-02 RMM: 5 -0.340596852877E+03 -0.38715E-05 -0.12366E-04 3870 0.278E-02 1349 T= 5600. E= 0.67459405E+03 F= 0.61567214E+03 E0= 0.64397690E+03 EK= 0.45607E+02 SP= 0.13E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340666248891E+03 -0.69400E-01 -0.94669E-02 7544 0.224E+01 0.176E-01 RMM: 2 -0.340679139395E+03 -0.12891E-01 -0.64744E-02 4999 0.619E-01 0.104E+00 RMM: 3 -0.340671778666E+03 0.73607E-02 -0.77252E-03 5447 0.189E-01 0.192E-01 RMM: 4 -0.340671506084E+03 0.27258E-03 -0.64823E-04 4652 0.535E-02 0.594E-02 RMM: 5 -0.340671481444E+03 0.24640E-04 -0.76384E-05 3638 0.227E-02 0.591E-02 RMM: 6 -0.340671463247E+03 0.18197E-04 -0.20506E-05 2528 0.136E-02 1350 T= 5630. E= 0.67459233E+03 F= 0.61559753E+03 E0= 0.64389542E+03 EK= 0.45847E+02 SP= 0.13E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340683571904E+03 -0.12090E-01 -0.96051E-02 7336 0.225E+01 0.207E-01 RMM: 2 -0.340698110179E+03 -0.14538E-01 -0.71264E-02 4894 0.655E-01 0.114E+00 RMM: 3 -0.340689351751E+03 0.87584E-02 -0.89952E-03 5423 0.209E-01 0.170E-01 RMM: 4 -0.340689144215E+03 0.20754E-03 -0.78056E-04 4937 0.531E-02 0.639E-02 RMM: 5 -0.340689112161E+03 0.32054E-04 -0.76052E-05 3543 0.249E-02 0.558E-02 RMM: 6 -0.340689095452E+03 0.16709E-04 -0.19933E-05 2530 0.132E-02 1351 T= 5656. E= 0.67459080E+03 F= 0.61557989E+03 E0= 0.64387635E+03 EK= 0.46059E+02 SP= 0.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340613757877E+03 0.75354E-01 -0.96173E-02 7464 0.225E+01 0.259E-01 RMM: 2 -0.340635602186E+03 -0.21844E-01 -0.71875E-02 4986 0.672E-01 0.154E+00 RMM: 3 -0.340619257030E+03 0.16345E-01 -0.99841E-03 5360 0.237E-01 0.247E-01 RMM: 4 -0.340618819373E+03 0.43766E-03 -0.10783E-03 4653 0.683E-02 0.710E-02 RMM: 5 -0.340618819595E+03 -0.22219E-06 -0.12940E-04 3882 0.286E-02 1352 T= 5675. E= 0.67459090E+03 F= 0.61565017E+03 E0= 0.64395071E+03 EK= 0.46214E+02 SP= 0.13E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340436251833E+03 0.18257E+00 -0.92960E-02 7552 0.225E+01 0.180E-01 RMM: 2 -0.340450182015E+03 -0.13930E-01 -0.70330E-02 4926 0.642E-01 0.107E+00 RMM: 3 -0.340442242010E+03 0.79400E-02 -0.84217E-03 5434 0.197E-01 0.194E-01 RMM: 4 -0.340441969131E+03 0.27288E-03 -0.68955E-04 4701 0.550E-02 0.596E-02 RMM: 5 -0.340441948938E+03 0.20193E-04 -0.82389E-05 3752 0.239E-02 0.592E-02 RMM: 6 -0.340441930301E+03 0.18636E-04 -0.20242E-05 2537 0.132E-02 1353 T= 5685. E= 0.67459201E+03 F= 0.61582706E+03 E0= 0.64413706E+03 EK= 0.46292E+02 SP= 0.12E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340147041544E+03 0.29491E+00 -0.10239E-01 7664 0.225E+01 0.206E-01 RMM: 2 -0.340161570482E+03 -0.14529E-01 -0.83360E-02 4757 0.708E-01 0.105E+00 RMM: 3 -0.340153987353E+03 0.75831E-02 -0.10296E-02 5434 0.219E-01 0.174E-01 RMM: 4 -0.340153754093E+03 0.23326E-03 -0.85119E-04 4848 0.586E-02 0.775E-02 RMM: 5 -0.340153726466E+03 0.27627E-04 -0.10092E-04 3772 0.267E-02 0.612E-02 RMM: 6 -0.340153704453E+03 0.22013E-04 -0.22870E-05 2563 0.143E-02 0.286E-02 RMM: 7 -0.340153708447E+03 -0.39936E-05 -0.12299E-05 2484 0.113E-02 1354 T= 5684. E= 0.67459352E+03 F= 0.61611528E+03 E0= 0.64443912E+03 EK= 0.46286E+02 SP= 0.12E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339760110182E+03 0.39359E+00 -0.97979E-02 7520 0.224E+01 0.218E-01 RMM: 2 -0.339772431669E+03 -0.12321E-01 -0.71958E-02 4876 0.674E-01 0.992E-01 RMM: 3 -0.339765731961E+03 0.66997E-02 -0.91007E-03 5404 0.213E-01 0.175E-01 RMM: 4 -0.339765538323E+03 0.19364E-03 -0.80966E-04 4710 0.590E-02 0.904E-02 RMM: 5 -0.339765523197E+03 0.15126E-04 -0.11675E-04 3826 0.284E-02 1355 T= 5674. E= 0.67459640E+03 F= 0.61650347E+03 E0= 0.64484476E+03 EK= 0.46209E+02 SP= 0.12E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339296554543E+03 0.46898E+00 -0.99437E-02 7464 0.223E+01 0.132E-01 RMM: 2 -0.339304801357E+03 -0.82468E-02 -0.64401E-02 4975 0.619E-01 0.632E-01 RMM: 3 -0.339302055161E+03 0.27462E-02 -0.71796E-03 5757 0.165E-01 0.116E-01 RMM: 4 -0.339301894795E+03 0.16037E-03 -0.35070E-04 4643 0.409E-02 0.631E-02 RMM: 5 -0.339301865983E+03 0.28812E-04 -0.41758E-05 2745 0.205E-02 0.527E-02 RMM: 6 -0.339301856093E+03 0.98894E-05 -0.22769E-05 2541 0.145E-02 1356 T= 5659. E= 0.67460005E+03 F= 0.61696713E+03 E0= 0.64532891E+03 EK= 0.46083E+02 SP= 0.11E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338790294555E+03 0.51157E+00 -0.10296E-01 7336 0.222E+01 0.208E-01 RMM: 2 -0.338805901640E+03 -0.15607E-01 -0.74538E-02 4826 0.658E-01 0.116E+00 RMM: 3 -0.338796389890E+03 0.95117E-02 -0.94559E-03 5421 0.214E-01 0.202E-01 RMM: 4 -0.338796089887E+03 0.30000E-03 -0.80490E-04 4736 0.583E-02 0.604E-02 RMM: 5 -0.338796089878E+03 0.92514E-08 -0.96731E-05 3706 0.263E-02 1357 T= 5642. E= 0.67460421E+03 F= 0.61747290E+03 E0= 0.64585722E+03 EK= 0.45944E+02 SP= 0.11E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338281274305E+03 0.51482E+00 -0.98706E-02 7608 0.222E+01 0.232E-01 RMM: 2 -0.338301150933E+03 -0.19877E-01 -0.68389E-02 5048 0.655E-01 0.146E+00 RMM: 3 -0.338286547199E+03 0.14604E-01 -0.89815E-03 5390 0.224E-01 0.212E-01 RMM: 4 -0.338286220444E+03 0.32676E-03 -0.88193E-04 4669 0.614E-02 0.714E-02 RMM: 5 -0.338286205103E+03 0.15341E-04 -0.10029E-04 3827 0.261E-02 1358 T= 5628. E= 0.67460862E+03 F= 0.61798278E+03 E0= 0.64638990E+03 EK= 0.45828E+02 SP= 0.10E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337800720809E+03 0.48550E+00 -0.10367E-01 7496 0.221E+01 0.164E-01 RMM: 2 -0.337812077458E+03 -0.11357E-01 -0.75176E-02 4834 0.673E-01 0.847E-01 RMM: 3 -0.337807154136E+03 0.49233E-02 -0.89526E-03 5584 0.193E-01 0.159E-01 RMM: 4 -0.337806934051E+03 0.22008E-03 -0.53915E-04 4884 0.481E-02 0.603E-02 RMM: 5 -0.337806906318E+03 0.27733E-04 -0.59099E-05 3091 0.239E-02 0.558E-02 RMM: 6 -0.337806901117E+03 0.52012E-05 -0.27844E-05 2630 0.158E-02 1359 T= 5620. E= 0.67461209E+03 F= 0.61846209E+03 E0= 0.64689464E+03 EK= 0.45769E+02 SP= 0.99E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337378297041E+03 0.42861E+00 -0.10024E-01 7696 0.221E+01 0.241E-01 RMM: 2 -0.337399350461E+03 -0.21053E-01 -0.72176E-02 4800 0.659E-01 0.146E+00 RMM: 3 -0.337384043460E+03 0.15307E-01 -0.10821E-02 5381 0.243E-01 0.178E-01 RMM: 4 -0.337383943346E+03 0.10011E-03 -0.10959E-03 4734 0.664E-02 0.135E-01 RMM: 5 -0.337383850048E+03 0.93298E-04 -0.13676E-04 3897 0.293E-02 0.798E-02 RMM: 6 -0.337383808832E+03 0.41216E-04 -0.30262E-05 2838 0.167E-02 0.269E-02 RMM: 7 -0.337383811151E+03 -0.23192E-05 -0.13306E-05 2489 0.121E-02 1360 T= 5623. E= 0.67461403E+03 F= 0.61888518E+03 E0= 0.64734328E+03 EK= 0.45794E+02 SP= 0.94E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337022527441E+03 0.36128E+00 -0.95202E-02 7688 0.221E+01 0.317E-01 RMM: 2 -0.337051827591E+03 -0.29300E-01 -0.83873E-02 4972 0.737E-01 0.186E+00 RMM: 3 -0.337028632730E+03 0.23195E-01 -0.12996E-02 5360 0.281E-01 0.323E-01 RMM: 4 -0.337027872472E+03 0.76026E-03 -0.14469E-03 4751 0.796E-02 0.645E-02 RMM: 5 -0.337027900310E+03 -0.27838E-04 -0.17467E-04 3897 0.325E-02 0.105E-01 RMM: 6 -0.337027822654E+03 0.77656E-04 -0.37546E-05 2956 0.186E-02 0.326E-02 RMM: 7 -0.337027821168E+03 0.14860E-05 -0.16618E-05 2498 0.128E-02 1361 T= 5638. E= 0.67461454E+03 F= 0.61924117E+03 E0= 0.64772603E+03 EK= 0.45915E+02 SP= 0.88E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336724387401E+03 0.30344E+00 -0.97890E-02 7680 0.222E+01 0.167E-01 RMM: 2 -0.336736482740E+03 -0.12095E-01 -0.72106E-02 4824 0.660E-01 0.916E-01 RMM: 3 -0.336730579302E+03 0.59034E-02 -0.87370E-03 5502 0.198E-01 0.146E-01 RMM: 4 -0.336730419434E+03 0.15987E-03 -0.59203E-04 4749 0.511E-02 0.688E-02 RMM: 5 -0.336730394800E+03 0.24634E-04 -0.70333E-05 3495 0.238E-02 0.588E-02 RMM: 6 -0.336730375023E+03 0.19777E-04 -0.20638E-05 2531 0.138E-02 1362 T= 5664. E= 0.67461377E+03 F= 0.61953861E+03 E0= 0.64805138E+03 EK= 0.46124E+02 SP= 0.82E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336457081451E+03 0.27331E+00 -0.99536E-02 7544 0.222E+01 0.205E-01 RMM: 2 -0.336471239278E+03 -0.14158E-01 -0.76920E-02 4893 0.684E-01 0.107E+00 RMM: 3 -0.336463400687E+03 0.78386E-02 -0.94259E-03 5455 0.213E-01 0.188E-01 RMM: 4 -0.336463127164E+03 0.27352E-03 -0.75446E-04 4721 0.570E-02 0.661E-02 RMM: 5 -0.336463103933E+03 0.23230E-04 -0.86246E-05 3820 0.242E-02 0.664E-02 RMM: 6 -0.336463080420E+03 0.23513E-04 -0.21132E-05 2538 0.139E-02 0.412E-02 RMM: 7 -0.336463083398E+03 -0.29780E-05 -0.20515E-05 2515 0.140E-02 1363 T= 5697. E= 0.67461154E+03 F= 0.61980591E+03 E0= 0.64834761E+03 EK= 0.46391E+02 SP= 0.76E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336175160019E+03 0.28792E+00 -0.10015E-01 7824 0.224E+01 0.192E-01 RMM: 2 -0.336185161117E+03 -0.10001E-01 -0.67912E-02 4862 0.657E-01 0.817E-01 RMM: 3 -0.336180707200E+03 0.44539E-02 -0.84471E-03 5525 0.197E-01 0.160E-01 RMM: 4 -0.336180560983E+03 0.14622E-03 -0.66934E-04 4655 0.569E-02 0.113E-01 RMM: 5 -0.336180519714E+03 0.41269E-04 -0.11220E-04 3740 0.289E-02 0.848E-02 RMM: 6 -0.336180472056E+03 0.47658E-04 -0.30091E-05 2875 0.171E-02 0.228E-02 RMM: 7 -0.336180473599E+03 -0.15431E-05 -0.11371E-05 2481 0.108E-02 1364 T= 5731. E= 0.67460830E+03 F= 0.62008852E+03 E0= 0.64866068E+03 EK= 0.46673E+02 SP= 0.70E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335818531956E+03 0.36194E+00 -0.10010E-01 7872 0.225E+01 0.166E-01 RMM: 2 -0.335829292895E+03 -0.10761E-01 -0.80261E-02 4872 0.702E-01 0.766E-01 RMM: 3 -0.335825427838E+03 0.38651E-02 -0.94758E-03 5799 0.190E-01 0.140E-01 RMM: 4 -0.335825200123E+03 0.22772E-03 -0.50461E-04 4701 0.517E-02 0.865E-02 RMM: 5 -0.335825152349E+03 0.47773E-04 -0.77311E-05 3549 0.249E-02 0.612E-02 RMM: 6 -0.335825131388E+03 0.20962E-04 -0.23537E-05 2550 0.146E-02 0.360E-02 RMM: 7 -0.335825128448E+03 0.29393E-05 -0.17866E-05 2494 0.127E-02 1365 T= 5761. E= 0.67460539E+03 F= 0.62044386E+03 E0= 0.64904579E+03 EK= 0.46911E+02 SP= 0.63E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335334313210E+03 0.49082E+00 -0.97776E-02 7904 0.226E+01 0.148E-01 RMM: 2 -0.335342937618E+03 -0.86244E-02 -0.70659E-02 4781 0.669E-01 0.618E-01 RMM: 3 -0.335340429229E+03 0.25084E-02 -0.88430E-03 5875 0.185E-01 0.117E-01 RMM: 4 -0.335340254656E+03 0.17457E-03 -0.42641E-04 4787 0.466E-02 0.817E-02 RMM: 5 -0.335340220776E+03 0.33880E-04 -0.60553E-05 3324 0.247E-02 0.540E-02 RMM: 6 -0.335340205384E+03 0.15392E-04 -0.20573E-05 2535 0.139E-02 1366 T= 5777. E= 0.67460337E+03 F= 0.62092878E+03 E0= 0.64956027E+03 EK= 0.47049E+02 SP= 0.56E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334671734265E+03 0.66849E+00 -0.98647E-02 7680 0.226E+01 0.180E-01 RMM: 2 -0.334684977406E+03 -0.13243E-01 -0.83286E-02 4790 0.711E-01 0.957E-01 RMM: 3 -0.334678921425E+03 0.60560E-02 -0.10077E-02 5605 0.208E-01 0.179E-01 RMM: 4 -0.334678642997E+03 0.27843E-03 -0.66488E-04 4712 0.567E-02 0.703E-02 RMM: 5 -0.334678614314E+03 0.28683E-04 -0.89583E-05 3686 0.261E-02 0.599E-02 RMM: 6 -0.334678594914E+03 0.19400E-04 -0.22829E-05 2548 0.141E-02 1367 T= 5776. E= 0.67460284E+03 F= 0.62159039E+03 E0= 0.65024905E+03 EK= 0.47036E+02 SP= 0.49E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333806559390E+03 0.87205E+00 -0.96357E-02 7560 0.226E+01 0.220E-01 RMM: 2 -0.333824190155E+03 -0.17631E-01 -0.77610E-02 4823 0.702E-01 0.127E+00 RMM: 3 -0.333813000618E+03 0.11190E-01 -0.10396E-02 5420 0.233E-01 0.211E-01 RMM: 4 -0.333812667586E+03 0.33303E-03 -0.91933E-04 4682 0.637E-02 0.645E-02 RMM: 5 -0.333812655720E+03 0.11866E-04 -0.10921E-04 3965 0.268E-02 1368 T= 5752. E= 0.67460432E+03 F= 0.62245633E+03 E0= 0.65113876E+03 EK= 0.46844E+02 SP= 0.41E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332735285266E+03 0.10774E+01 -0.93861E-02 7640 0.225E+01 0.160E-01 RMM: 2 -0.332745291001E+03 -0.10006E-01 -0.71352E-02 4866 0.655E-01 0.739E-01 RMM: 3 -0.332741462861E+03 0.38281E-02 -0.83804E-03 5552 0.192E-01 0.181E-01 RMM: 4 -0.332741206263E+03 0.25660E-03 -0.53124E-04 4685 0.511E-02 0.651E-02 RMM: 5 -0.332741182533E+03 0.23730E-04 -0.62604E-05 3324 0.226E-02 0.604E-02 RMM: 6 -0.332741170114E+03 0.12419E-04 -0.22800E-05 2528 0.146E-02 1369 T= 5706. E= 0.67460833E+03 F= 0.62352782E+03 E0= 0.65222970E+03 EK= 0.46470E+02 SP= 0.33E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331489025879E+03 0.12522E+01 -0.97720E-02 7560 0.224E+01 0.275E-01 RMM: 2 -0.331512595382E+03 -0.23570E-01 -0.99566E-02 4678 0.794E-01 0.151E+00 RMM: 3 -0.331497238215E+03 0.15357E-01 -0.14012E-02 5403 0.271E-01 0.273E-01 RMM: 4 -0.331496702051E+03 0.53616E-03 -0.13834E-03 4840 0.767E-02 0.771E-02 RMM: 5 -0.331496725688E+03 -0.23637E-04 -0.18165E-04 3939 0.321E-02 0.101E-01 RMM: 6 -0.331496659394E+03 0.66294E-04 -0.41296E-05 3046 0.193E-02 0.329E-02 RMM: 7 -0.331496657012E+03 0.23818E-05 -0.13706E-05 2492 0.118E-02 1370 T= 5642. E= 0.67461401E+03 F= 0.62477233E+03 E0= 0.65348894E+03 EK= 0.45945E+02 SP= 0.25E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330133314875E+03 0.13633E+01 -0.97211E-02 7664 0.221E+01 0.267E-01 RMM: 2 -0.330156876593E+03 -0.23562E-01 -0.96364E-02 4742 0.773E-01 0.153E+00 RMM: 3 -0.330141332873E+03 0.15544E-01 -0.14010E-02 5419 0.271E-01 0.275E-01 RMM: 4 -0.330140797944E+03 0.53493E-03 -0.13545E-03 4873 0.767E-02 0.834E-02 RMM: 5 -0.330140807709E+03 -0.97651E-05 -0.18415E-04 3904 0.339E-02 1371 T= 5566. E= 0.67462179E+03 F= 0.62612818E+03 E0= 0.65485484E+03 EK= 0.45330E+02 SP= 0.16E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328749505374E+03 0.13913E+01 -0.10087E-01 7624 0.219E+01 0.192E-01 RMM: 2 -0.328766676805E+03 -0.17171E-01 -0.11272E-01 4677 0.825E-01 0.103E+00 RMM: 3 -0.328759367509E+03 0.73093E-02 -0.14225E-02 5624 0.242E-01 0.174E-01 RMM: 4 -0.328759068437E+03 0.29907E-03 -0.94212E-04 5395 0.586E-02 0.677E-02 RMM: 5 -0.328759024711E+03 0.43726E-04 -0.94307E-05 3658 0.299E-02 0.629E-02 RMM: 6 -0.328759005963E+03 0.18748E-04 -0.28896E-05 2600 0.163E-02 1372 T= 5490. E= 0.67463059E+03 F= 0.62750998E+03 E0= 0.65624429E+03 EK= 0.44711E+02 SP= 0.76E+00 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327446582989E+03 0.13124E+01 -0.94706E-02 7512 0.216E+01 0.264E-01 RMM: 2 -0.327472637857E+03 -0.26055E-01 -0.91515E-02 4700 0.744E-01 0.161E+00 RMM: 3 -0.327454096514E+03 0.18541E-01 -0.13568E-02 5375 0.273E-01 0.237E-01 RMM: 4 -0.327453721665E+03 0.37485E-03 -0.13709E-03 4929 0.722E-02 0.834E-02 RMM: 5 -0.327453711577E+03 0.10089E-04 -0.14894E-04 3877 0.312E-02 1373 T= 5427. E= 0.67463912E+03 F= 0.62881528E+03 E0= 0.65755508E+03 EK= 0.44191E+02 SP= -.16E+00 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326322078545E+03 0.11316E+01 -0.90337E-02 7672 0.214E+01 0.275E-01 RMM: 2 -0.326349584687E+03 -0.27506E-01 -0.88732E-02 4933 0.728E-01 0.172E+00 RMM: 3 -0.326329199838E+03 0.20385E-01 -0.12921E-02 5378 0.269E-01 0.271E-01 RMM: 4 -0.326328674728E+03 0.52511E-03 -0.13007E-03 4779 0.728E-02 0.850E-02 RMM: 5 -0.326328651477E+03 0.23251E-04 -0.15240E-04 3892 0.322E-02 0.873E-02 RMM: 6 -0.326328602012E+03 0.49465E-04 -0.34558E-05 2833 0.177E-02 0.426E-02 RMM: 7 -0.326328602182E+03 -0.17070E-06 -0.19153E-05 2522 0.137E-02 1374 T= 5388. E= 0.67464697E+03 F= 0.62994039E+03 E0= 0.65868562E+03 EK= 0.43877E+02 SP= -.11E+01 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325470925964E+03 0.85768E+00 -0.90240E-02 7776 0.213E+01 0.207E-01 RMM: 2 -0.325484751625E+03 -0.13826E-01 -0.81471E-02 4829 0.688E-01 0.102E+00 RMM: 3 -0.325477657619E+03 0.70940E-02 -0.98478E-03 5481 0.214E-01 0.191E-01 RMM: 4 -0.325477424070E+03 0.23355E-03 -0.80962E-04 4694 0.605E-02 0.990E-02 RMM: 5 -0.325477411867E+03 0.12203E-04 -0.12890E-04 3822 0.302E-02 1375 T= 5387. E= 0.67465282E+03 F= 0.63079158E+03 E0= 0.65954356E+03 EK= 0.43867E+02 SP= -.21E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324961732543E+03 0.51569E+00 -0.90151E-02 7864 0.213E+01 0.161E-01 RMM: 2 -0.324973279363E+03 -0.11547E-01 -0.86030E-02 5048 0.698E-01 0.782E-01 RMM: 3 -0.324969127817E+03 0.41515E-02 -0.94150E-03 5799 0.189E-01 0.154E-01 RMM: 4 -0.324968869677E+03 0.25814E-03 -0.49986E-04 4705 0.495E-02 0.828E-02 RMM: 5 -0.324968820767E+03 0.48910E-04 -0.72332E-05 3501 0.234E-02 0.683E-02 RMM: 6 -0.324968800036E+03 0.20731E-04 -0.24633E-05 2553 0.150E-02 0.503E-02 RMM: 7 -0.324968794682E+03 0.53543E-05 -0.47319E-05 2924 0.184E-02 1376 T= 5432. E= 0.67465612E+03 F= 0.63130019E+03 E0= 0.66006124E+03 EK= 0.44237E+02 SP= -.32E+01 SK= 0.23E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324834786046E+03 0.13401E+00 -0.93346E-02 8168 0.214E+01 0.180E-01 RMM: 2 -0.324846564922E+03 -0.11779E-01 -0.85546E-02 4886 0.695E-01 0.812E-01 RMM: 3 -0.324842009451E+03 0.45555E-02 -0.99906E-03 5759 0.198E-01 0.168E-01 RMM: 4 -0.324841743034E+03 0.26642E-03 -0.62182E-04 4715 0.559E-02 0.859E-02 RMM: 5 -0.324841712178E+03 0.30856E-04 -0.88479E-05 3611 0.240E-02 0.684E-02 RMM: 6 -0.324841684775E+03 0.27404E-04 -0.22377E-05 2565 0.148E-02 0.252E-02 RMM: 7 -0.324841686633E+03 -0.18582E-05 -0.99887E-06 2476 0.101E-02 1377 T= 5530. E= 0.67465627E+03 F= 0.63142730E+03 E0= 0.66019965E+03 EK= 0.45031E+02 SP= -.43E+01 SK= 0.25E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325090779289E+03 -0.24909E+00 -0.96567E-02 8120 0.217E+01 0.160E-01 RMM: 2 -0.325103148699E+03 -0.12369E-01 -0.10172E-01 5030 0.738E-01 0.717E-01 RMM: 3 -0.325099583261E+03 0.35654E-02 -0.11483E-02 5994 0.196E-01 0.153E-01 RMM: 4 -0.325099281077E+03 0.30218E-03 -0.54109E-04 4531 0.548E-02 0.977E-02 RMM: 5 -0.325099214490E+03 0.66587E-04 -0.91180E-05 3595 0.253E-02 0.693E-02 RMM: 6 -0.325099190830E+03 0.23660E-04 -0.24114E-05 2564 0.150E-02 0.450E-02 RMM: 7 -0.325099182926E+03 0.79043E-05 -0.18630E-05 2514 0.129E-02 1378 T= 5681. E= 0.67465358E+03 F= 0.63116981E+03 E0= 0.65995511E+03 EK= 0.46259E+02 SP= -.54E+01 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325699274700E+03 -0.60008E+00 -0.10051E-01 8488 0.221E+01 0.176E-01 RMM: 2 -0.325712211473E+03 -0.12937E-01 -0.96672E-02 5099 0.719E-01 0.828E-01 RMM: 3 -0.325707440500E+03 0.47710E-02 -0.10411E-02 5885 0.198E-01 0.173E-01 RMM: 4 -0.325707121306E+03 0.31919E-03 -0.58739E-04 4770 0.533E-02 0.782E-02 RMM: 5 -0.325707089797E+03 0.31508E-04 -0.79168E-05 3608 0.229E-02 0.697E-02 RMM: 6 -0.325707069167E+03 0.20630E-04 -0.20703E-05 2544 0.138E-02 0.465E-02 RMM: 7 -0.325707069757E+03 -0.59000E-06 -0.20229E-05 2558 0.135E-02 1379 T= 5881. E= 0.67464832E+03 F= 0.63056192E+03 E0= 0.65936225E+03 EK= 0.47894E+02 SP= -.66E+01 SK= 0.28E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326591011469E+03 -0.88394E+00 -0.11123E-01 8520 0.226E+01 0.199E-01 RMM: 2 -0.326605915863E+03 -0.14904E-01 -0.11565E-01 5037 0.786E-01 0.862E-01 RMM: 3 -0.326600817874E+03 0.50980E-02 -0.13146E-02 5897 0.220E-01 0.169E-01 RMM: 4 -0.326600514988E+03 0.30289E-03 -0.75225E-04 4839 0.610E-02 0.119E-01 RMM: 5 -0.326600439119E+03 0.75869E-04 -0.12563E-04 3803 0.285E-02 0.812E-02 RMM: 6 -0.326600401735E+03 0.37384E-04 -0.30949E-05 2797 0.168E-02 0.408E-02 RMM: 7 -0.326600399327E+03 0.24073E-05 -0.16632E-05 2509 0.126E-02 1380 T= 6124. E= 0.67464189E+03 F= 0.62966859E+03 E0= 0.65848378E+03 EK= 0.49874E+02 SP= -.78E+01 SK= 0.29E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327682163585E+03 -0.10818E+01 -0.12299E-01 8536 0.231E+01 0.188E-01 RMM: 2 -0.327698148101E+03 -0.15985E-01 -0.12614E-01 5146 0.810E-01 0.855E-01 RMM: 3 -0.327692960942E+03 0.51872E-02 -0.13176E-02 5973 0.216E-01 0.183E-01 RMM: 4 -0.327692564690E+03 0.39625E-03 -0.71265E-04 4824 0.594E-02 0.979E-02 RMM: 5 -0.327692506316E+03 0.58374E-04 -0.10956E-04 3770 0.265E-02 0.787E-02 RMM: 6 -0.327692477752E+03 0.28564E-04 -0.25657E-05 2569 0.151E-02 0.513E-02 RMM: 7 -0.327692470936E+03 0.68154E-05 -0.21452E-05 2541 0.138E-02 1381 T= 6399. E= 0.67463417E+03 F= 0.62857652E+03 E0= 0.65740670E+03 EK= 0.52113E+02 SP= -.90E+01 SK= 0.29E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328870690361E+03 -0.11782E+01 -0.13480E-01 9000 0.237E+01 0.197E-01 RMM: 2 -0.328887199831E+03 -0.16509E-01 -0.12754E-01 5196 0.801E-01 0.898E-01 RMM: 3 -0.328881183254E+03 0.60166E-02 -0.11683E-02 5946 0.214E-01 0.178E-01 RMM: 4 -0.328880853266E+03 0.32999E-03 -0.69867E-04 4868 0.582E-02 0.103E-01 RMM: 5 -0.328880790664E+03 0.62602E-04 -0.10934E-04 3775 0.275E-02 0.750E-02 RMM: 6 -0.328880763111E+03 0.27553E-04 -0.25247E-05 2586 0.153E-02 0.467E-02 RMM: 7 -0.328880759762E+03 0.33486E-05 -0.18423E-05 2523 0.129E-02 1382 T= 6693. E= 0.67462606E+03 F= 0.62738823E+03 E0= 0.65623237E+03 EK= 0.54503E+02 SP= -.10E+02 SK= 0.29E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330046721185E+03 -0.11660E+01 -0.14229E-01 9008 0.243E+01 0.201E-01 RMM: 2 -0.330063099783E+03 -0.16379E-01 -0.13047E-01 5394 0.796E-01 0.869E-01 RMM: 3 -0.330057289479E+03 0.58103E-02 -0.10590E-02 5999 0.203E-01 0.172E-01 RMM: 4 -0.330057024617E+03 0.26486E-03 -0.69531E-04 4801 0.580E-02 0.127E-01 RMM: 5 -0.330056921355E+03 0.10326E-03 -0.12172E-04 3824 0.285E-02 0.806E-02 RMM: 6 -0.330056886730E+03 0.34625E-04 -0.29878E-05 2818 0.166E-02 0.458E-02 RMM: 7 -0.330056880245E+03 0.64854E-05 -0.20274E-05 2517 0.134E-02 1383 T= 6991. E= 0.67461804E+03 F= 0.62621211E+03 E0= 0.65506965E+03 EK= 0.56929E+02 SP= -.11E+02 SK= 0.28E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331102655749E+03 -0.10458E+01 -0.14714E-01 8840 0.249E+01 0.193E-01 RMM: 2 -0.331119875001E+03 -0.17219E-01 -0.13977E-01 5292 0.835E-01 0.856E-01 RMM: 3 -0.331114393139E+03 0.54819E-02 -0.12098E-02 6055 0.211E-01 0.168E-01 RMM: 4 -0.331114079288E+03 0.31385E-03 -0.66933E-04 4816 0.584E-02 0.119E-01 RMM: 5 -0.331113980667E+03 0.98621E-04 -0.11566E-04 3812 0.287E-02 0.708E-02 RMM: 6 -0.331113958852E+03 0.21815E-04 -0.25503E-05 2574 0.151E-02 0.507E-02 RMM: 7 -0.331113949476E+03 0.93759E-05 -0.25157E-05 2579 0.145E-02 1384 T= 7278. E= 0.67461096E+03 F= 0.62515504E+03 E0= 0.65402447E+03 EK= 0.59269E+02 SP= -.13E+02 SK= 0.27E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331944557193E+03 -0.83060E+00 -0.14896E-01 8712 0.254E+01 0.190E-01 RMM: 2 -0.331961410406E+03 -0.16853E-01 -0.14017E-01 5274 0.842E-01 0.821E-01 RMM: 3 -0.331956240610E+03 0.51698E-02 -0.11932E-02 6052 0.213E-01 0.168E-01 RMM: 4 -0.331955964733E+03 0.27588E-03 -0.66698E-04 4775 0.583E-02 0.130E-01 RMM: 5 -0.331955848149E+03 0.11658E-03 -0.11956E-04 3821 0.296E-02 0.739E-02 RMM: 6 -0.331955820954E+03 0.27195E-04 -0.30000E-05 2811 0.166E-02 0.471E-02 RMM: 7 -0.331955808032E+03 0.12921E-04 -0.28155E-05 2564 0.158E-02 1385 T= 7541. E= 0.67460516E+03 F= 0.62431318E+03 E0= 0.65319312E+03 EK= 0.61411E+02 SP= -.14E+02 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332490570571E+03 -0.53475E+00 -0.15079E-01 8552 0.259E+01 0.179E-01 RMM: 2 -0.332506256639E+03 -0.15686E-01 -0.13478E-01 5311 0.828E-01 0.748E-01 RMM: 3 -0.332501836032E+03 0.44206E-02 -0.11341E-02 6182 0.201E-01 0.156E-01 RMM: 4 -0.332501559834E+03 0.27620E-03 -0.58644E-04 4700 0.576E-02 0.130E-01 RMM: 5 -0.332501434783E+03 0.12505E-03 -0.11043E-04 3746 0.286E-02 0.669E-02 RMM: 6 -0.332501417812E+03 0.16971E-04 -0.24316E-05 2588 0.148E-02 1386 T= 7768. E= 0.67460082E+03 F= 0.62376757E+03 E0= 0.65265454E+03 EK= 0.63255E+02 SP= -.15E+02 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332678083508E+03 -0.17665E+00 -0.15062E-01 8352 0.262E+01 0.217E-01 RMM: 2 -0.332700465208E+03 -0.22382E-01 -0.13717E-01 5214 0.836E-01 0.121E+00 RMM: 3 -0.332689335694E+03 0.11130E-01 -0.12510E-02 5530 0.241E-01 0.201E-01 RMM: 4 -0.332689050447E+03 0.28525E-03 -0.95541E-04 4953 0.636E-02 0.999E-02 RMM: 5 -0.332688970168E+03 0.80279E-04 -0.10949E-04 3912 0.283E-02 0.726E-02 RMM: 6 -0.332688952143E+03 0.18025E-04 -0.25094E-05 2563 0.148E-02 1387 T= 7947. E= 0.67459865E+03 F= 0.62358004E+03 E0= 0.65246969E+03 EK= 0.64719E+02 SP= -.16E+02 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332467994198E+03 0.22098E+00 -0.14805E-01 7848 0.265E+01 0.322E-01 RMM: 2 -0.332499079968E+03 -0.31086E-01 -0.13782E-01 5004 0.901E-01 0.171E+00 RMM: 3 -0.332479245564E+03 0.19834E-01 -0.17693E-02 5441 0.310E-01 0.344E-01 RMM: 4 -0.332478377630E+03 0.86793E-03 -0.18251E-03 4997 0.904E-02 0.993E-02 RMM: 5 -0.332478323813E+03 0.53818E-04 -0.20858E-04 4137 0.323E-02 0.947E-02 RMM: 6 -0.332478275745E+03 0.48068E-04 -0.35510E-05 2832 0.184E-02 0.598E-02 RMM: 7 -0.332478286617E+03 -0.10872E-04 -0.41577E-05 2923 0.183E-02 1388 T= 8073. E= 0.67459833E+03 F= 0.62379070E+03 E0= 0.65267613E+03 EK= 0.65743E+02 SP= -.17E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331841962603E+03 0.63631E+00 -0.15095E-01 7608 0.267E+01 0.256E-01 RMM: 2 -0.331863244862E+03 -0.21282E-01 -0.12901E-01 4895 0.857E-01 0.122E+00 RMM: 3 -0.331852760781E+03 0.10484E-01 -0.15246E-02 5438 0.282E-01 0.279E-01 RMM: 4 -0.331852302863E+03 0.45792E-03 -0.14897E-03 4985 0.849E-02 0.137E-01 RMM: 5 -0.331852211255E+03 0.91609E-04 -0.21116E-04 3927 0.374E-02 0.952E-02 RMM: 6 -0.331852156725E+03 0.54529E-04 -0.47790E-05 3131 0.208E-02 0.421E-02 RMM: 7 -0.331852161281E+03 -0.45561E-05 -0.21737E-05 2533 0.144E-02 1389 T= 8141. E= 0.67460066E+03 F= 0.62441683E+03 E0= 0.65329041E+03 EK= 0.66295E+02 SP= -.18E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330808449346E+03 0.10437E+01 -0.16029E-01 7640 0.268E+01 0.257E-01 RMM: 2 -0.330830100485E+03 -0.21651E-01 -0.14511E-01 4799 0.941E-01 0.118E+00 RMM: 3 -0.330820687551E+03 0.94129E-02 -0.18140E-02 5671 0.292E-01 0.200E-01 RMM: 4 -0.330820322453E+03 0.36510E-03 -0.11912E-03 4975 0.733E-02 0.113E-01 RMM: 5 -0.330820257263E+03 0.65190E-04 -0.14990E-04 3993 0.336E-02 0.919E-02 RMM: 6 -0.330820206797E+03 0.50466E-04 -0.37671E-05 2843 0.186E-02 0.530E-02 RMM: 7 -0.330820206090E+03 0.70680E-06 -0.37123E-05 2728 0.178E-02 1390 T= 8150. E= 0.67460435E+03 F= 0.62544878E+03 E0= 0.65430118E+03 EK= 0.66369E+02 SP= -.19E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329401349409E+03 0.14189E+01 -0.15563E-01 7536 0.268E+01 0.188E-01 RMM: 2 -0.329418796635E+03 -0.17447E-01 -0.12784E-01 4741 0.887E-01 0.930E-01 RMM: 3 -0.329412722424E+03 0.60742E-02 -0.15833E-02 5689 0.264E-01 0.182E-01 RMM: 4 -0.329412442882E+03 0.27954E-03 -0.86077E-04 4786 0.679E-02 0.109E-01 RMM: 5 -0.329412374884E+03 0.67998E-04 -0.12598E-04 3876 0.329E-02 0.737E-02 RMM: 6 -0.329412348298E+03 0.26586E-04 -0.30575E-05 2656 0.168E-02 0.476E-02 RMM: 7 -0.329412351662E+03 -0.33646E-05 -0.24454E-05 2557 0.152E-02 1391 T= 8103. E= 0.67460969E+03 F= 0.62685664E+03 E0= 0.65568104E+03 EK= 0.65987E+02 SP= -.19E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327670234040E+03 0.17421E+01 -0.15969E-01 7736 0.267E+01 0.215E-01 RMM: 2 -0.327689754828E+03 -0.19521E-01 -0.15469E-01 4677 0.986E-01 0.900E-01 RMM: 3 -0.327684072744E+03 0.56821E-02 -0.19328E-02 5780 0.283E-01 0.233E-01 RMM: 4 -0.327683553950E+03 0.51879E-03 -0.10765E-03 4884 0.771E-02 0.107E-01 RMM: 5 -0.327683511280E+03 0.42671E-04 -0.16999E-04 4031 0.342E-02 0.993E-02 RMM: 6 -0.327683448356E+03 0.62924E-04 -0.44755E-05 3081 0.206E-02 0.401E-02 RMM: 7 -0.327683451841E+03 -0.34848E-05 -0.20831E-05 2531 0.138E-02 1392 T= 8007. E= 0.67461650E+03 F= 0.62858554E+03 E0= 0.65737635E+03 EK= 0.65201E+02 SP= -.20E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325693887536E+03 0.19896E+01 -0.15218E-01 7560 0.266E+01 0.205E-01 RMM: 2 -0.325712028845E+03 -0.18141E-01 -0.13425E-01 4718 0.924E-01 0.951E-01 RMM: 3 -0.325705771444E+03 0.62574E-02 -0.16928E-02 5712 0.274E-01 0.212E-01 RMM: 4 -0.325705374785E+03 0.39666E-03 -0.90853E-04 4847 0.694E-02 0.946E-02 RMM: 5 -0.325705334275E+03 0.40510E-04 -0.13429E-04 3905 0.324E-02 0.809E-02 RMM: 6 -0.325705299848E+03 0.34427E-04 -0.35211E-05 2910 0.181E-02 0.468E-02 RMM: 7 -0.325705303847E+03 -0.39987E-05 -0.22813E-05 2537 0.146E-02 1393 T= 7869. E= 0.67462468E+03 F= 0.63056369E+03 E0= 0.65931835E+03 EK= 0.64084E+02 SP= -.21E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323551618806E+03 0.21537E+01 -0.14465E-01 7584 0.263E+01 0.193E-01 RMM: 2 -0.323567671110E+03 -0.16052E-01 -0.12103E-01 4839 0.856E-01 0.882E-01 RMM: 3 -0.323561912436E+03 0.57587E-02 -0.13767E-02 5689 0.251E-01 0.186E-01 RMM: 4 -0.323561669040E+03 0.24340E-03 -0.78722E-04 4807 0.665E-02 0.119E-01 RMM: 5 -0.323561600645E+03 0.68395E-04 -0.12629E-04 3805 0.312E-02 0.856E-02 RMM: 6 -0.323561556699E+03 0.43946E-04 -0.36683E-05 2923 0.190E-02 0.389E-02 RMM: 7 -0.323561559001E+03 -0.23026E-05 -0.18091E-05 2517 0.132E-02 1394 T= 7702. E= 0.67463328E+03 F= 0.63270743E+03 E0= 0.66142643E+03 EK= 0.62721E+02 SP= -.22E+02 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321332583974E+03 0.22290E+01 -0.14607E-01 7640 0.260E+01 0.226E-01 RMM: 2 -0.321351639862E+03 -0.19056E-01 -0.12519E-01 4946 0.868E-01 0.110E+00 RMM: 3 -0.321343009472E+03 0.86304E-02 -0.14317E-02 5625 0.263E-01 0.232E-01 RMM: 4 -0.321342590581E+03 0.41889E-03 -0.94318E-04 4855 0.695E-02 0.996E-02 RMM: 5 -0.321342554238E+03 0.36343E-04 -0.14074E-04 3896 0.320E-02 0.924E-02 RMM: 6 -0.321342503900E+03 0.50338E-04 -0.39478E-05 3022 0.193E-02 0.460E-02 RMM: 7 -0.321342504659E+03 -0.75904E-06 -0.18884E-05 2526 0.133E-02 1395 T= 7517. E= 0.67464188E+03 F= 0.63492648E+03 E0= 0.66361310E+03 EK= 0.61213E+02 SP= -.22E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319127531430E+03 0.22150E+01 -0.14140E-01 7664 0.257E+01 0.203E-01 RMM: 2 -0.319146203101E+03 -0.18672E-01 -0.13282E-01 4990 0.868E-01 0.999E-01 RMM: 3 -0.319138577119E+03 0.76260E-02 -0.14241E-02 5710 0.254E-01 0.190E-01 RMM: 4 -0.319138295941E+03 0.28118E-03 -0.82470E-04 4814 0.652E-02 0.114E-01 RMM: 5 -0.319138225512E+03 0.70429E-04 -0.11544E-04 3778 0.309E-02 0.802E-02 RMM: 6 -0.319138192542E+03 0.32970E-04 -0.33775E-05 2855 0.179E-02 0.463E-02 RMM: 7 -0.319138199265E+03 -0.67235E-05 -0.27717E-05 2597 0.152E-02 1396 T= 7326. E= 0.67464996E+03 F= 0.63713079E+03 E0= 0.66579053E+03 EK= 0.59656E+02 SP= -.23E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317025316059E+03 0.21129E+01 -0.13668E-01 7928 0.253E+01 0.188E-01 RMM: 2 -0.317041851244E+03 -0.16535E-01 -0.13092E-01 5078 0.848E-01 0.826E-01 RMM: 3 -0.317036232192E+03 0.56191E-02 -0.13367E-02 5737 0.244E-01 0.151E-01 RMM: 4 -0.317036122298E+03 0.10989E-03 -0.75602E-04 4788 0.631E-02 0.153E-01 RMM: 5 -0.317035969864E+03 0.15243E-03 -0.12290E-04 3787 0.318E-02 0.697E-02 RMM: 6 -0.317035946765E+03 0.23100E-04 -0.32119E-05 2762 0.173E-02 0.463E-02 RMM: 7 -0.317035947793E+03 -0.10287E-05 -0.23422E-05 2562 0.145E-02 1397 T= 7141. E= 0.67465774E+03 F= 0.63923304E+03 E0= 0.66787285E+03 EK= 0.58150E+02 SP= -.23E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315108116863E+03 0.19278E+01 -0.13454E-01 7944 0.249E+01 0.208E-01 RMM: 2 -0.315126892080E+03 -0.18775E-01 -0.14663E-01 4940 0.905E-01 0.899E-01 RMM: 3 -0.315120607644E+03 0.62844E-02 -0.16143E-02 5912 0.258E-01 0.191E-01 RMM: 4 -0.315120239319E+03 0.36832E-03 -0.86500E-04 4813 0.677E-02 0.121E-01 RMM: 5 -0.315120158150E+03 0.81169E-04 -0.12113E-04 3815 0.307E-02 0.817E-02 RMM: 6 -0.315120126376E+03 0.31775E-04 -0.29704E-05 2658 0.168E-02 0.516E-02 RMM: 7 -0.315120128778E+03 -0.24024E-05 -0.27251E-05 2601 0.155E-02 1398 T= 6974. E= 0.67466538E+03 F= 0.64114886E+03 E0= 0.66977654E+03 EK= 0.56789E+02 SP= -.24E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313458484654E+03 0.16616E+01 -0.12678E-01 7808 0.245E+01 0.212E-01 RMM: 2 -0.313477805297E+03 -0.19321E-01 -0.14324E-01 4985 0.892E-01 0.977E-01 RMM: 3 -0.313470761346E+03 0.70440E-02 -0.16129E-02 5798 0.255E-01 0.188E-01 RMM: 4 -0.313470425626E+03 0.33572E-03 -0.91873E-04 4798 0.684E-02 0.118E-01 RMM: 5 -0.313470352750E+03 0.72876E-04 -0.13074E-04 3879 0.304E-02 0.841E-02 RMM: 6 -0.313470315487E+03 0.37263E-04 -0.32699E-05 2816 0.176E-02 0.460E-02 RMM: 7 -0.313470321624E+03 -0.61376E-05 -0.22971E-05 2567 0.144E-02 1399 T= 6835. E= 0.67467156E+03 F= 0.64279867E+03 E0= 0.67142187E+03 EK= 0.55662E+02 SP= -.24E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312140710644E+03 0.13296E+01 -0.11939E-01 7768 0.242E+01 0.242E-01 RMM: 2 -0.312159493940E+03 -0.18783E-01 -0.12079E-01 4997 0.818E-01 0.107E+00 RMM: 3 -0.312150794226E+03 0.86997E-02 -0.13738E-02 5594 0.255E-01 0.250E-01 RMM: 4 -0.312150343126E+03 0.45110E-03 -0.10995E-03 4775 0.713E-02 0.113E-01 RMM: 5 -0.312150289839E+03 0.53287E-04 -0.15445E-04 3892 0.320E-02 0.963E-02 RMM: 6 -0.312150232919E+03 0.56920E-04 -0.37126E-05 2963 0.185E-02 0.459E-02 RMM: 7 -0.312150234145E+03 -0.12258E-05 -0.19816E-05 2530 0.138E-02 1400 T= 6734. E= 0.67467585E+03 F= 0.64411876E+03 E0= 0.67274530E+03 EK= 0.54840E+02 SP= -.25E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311184971165E+03 0.96526E+00 -0.11926E-01 7704 0.240E+01 0.225E-01 RMM: 2 -0.311204436401E+03 -0.19465E-01 -0.13219E-01 5015 0.847E-01 0.107E+00 RMM: 3 -0.311196038490E+03 0.83979E-02 -0.14487E-02 5690 0.248E-01 0.200E-01 RMM: 4 -0.311195688924E+03 0.34957E-03 -0.96479E-04 4800 0.668E-02 0.999E-02 RMM: 5 -0.311195649960E+03 0.38963E-04 -0.13342E-04 3931 0.297E-02 0.858E-02 RMM: 6 -0.311195606455E+03 0.43505E-04 -0.31186E-05 2789 0.170E-02 0.410E-02 RMM: 7 -0.311195611942E+03 -0.54868E-05 -0.20295E-05 2537 0.139E-02 1401 T= 6676. E= 0.67467727E+03 F= 0.64507338E+03 E0= 0.67370994E+03 EK= 0.54366E+02 SP= -.25E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310592789316E+03 0.60282E+00 -0.11678E-01 7920 0.239E+01 0.205E-01 RMM: 2 -0.310609903377E+03 -0.17114E-01 -0.12446E-01 5050 0.805E-01 0.935E-01 RMM: 3 -0.310603285696E+03 0.66177E-02 -0.12758E-02 5702 0.233E-01 0.203E-01 RMM: 4 -0.310602968246E+03 0.31745E-03 -0.87914E-04 4762 0.648E-02 0.113E-01 RMM: 5 -0.310602904275E+03 0.63971E-04 -0.13302E-04 3810 0.299E-02 0.867E-02 RMM: 6 -0.310602858004E+03 0.46271E-04 -0.36446E-05 2981 0.183E-02 0.409E-02 RMM: 7 -0.310602860972E+03 -0.29685E-05 -0.21837E-05 2536 0.142E-02 1402 T= 6661. E= 0.67467586E+03 F= 0.64566613E+03 E0= 0.67431797E+03 EK= 0.54241E+02 SP= -.26E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310321790931E+03 0.28107E+00 -0.11717E-01 7968 0.239E+01 0.199E-01 RMM: 2 -0.310339339861E+03 -0.17549E-01 -0.13900E-01 5153 0.835E-01 0.868E-01 RMM: 3 -0.310333444069E+03 0.58958E-02 -0.13925E-02 5956 0.231E-01 0.174E-01 RMM: 4 -0.310333129970E+03 0.31410E-03 -0.79641E-04 4759 0.628E-02 0.118E-01 RMM: 5 -0.310333054097E+03 0.75873E-04 -0.12218E-04 3787 0.284E-02 0.812E-02 RMM: 6 -0.310333018598E+03 0.35499E-04 -0.30082E-05 2771 0.169E-02 0.460E-02 RMM: 7 -0.310333022394E+03 -0.37964E-05 -0.24092E-05 2567 0.149E-02 1403 T= 6684. E= 0.67467191E+03 F= 0.64593597E+03 E0= 0.67460623E+03 EK= 0.54430E+02 SP= -.26E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310310679061E+03 0.22340E-01 -0.12670E-01 8280 0.241E+01 0.202E-01 RMM: 2 -0.310330811182E+03 -0.20132E-01 -0.16319E-01 5239 0.887E-01 0.889E-01 RMM: 3 -0.310324558489E+03 0.62527E-02 -0.15922E-02 6005 0.236E-01 0.188E-01 RMM: 4 -0.310324158424E+03 0.40007E-03 -0.85916E-04 4794 0.663E-02 0.126E-01 RMM: 5 -0.310324067447E+03 0.90976E-04 -0.13225E-04 3844 0.287E-02 0.864E-02 RMM: 6 -0.310324029143E+03 0.38304E-04 -0.33939E-05 2925 0.178E-02 0.503E-02 RMM: 7 -0.310324033042E+03 -0.38986E-05 -0.25115E-05 2581 0.150E-02 1404 T= 6739. E= 0.67466802E+03 F= 0.64594496E+03 E0= 0.67463401E+03 EK= 0.54876E+02 SP= -.27E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310503589366E+03 -0.17956E+00 -0.13470E-01 8376 0.243E+01 0.219E-01 RMM: 2 -0.310525378211E+03 -0.21789E-01 -0.17114E-01 5295 0.906E-01 0.965E-01 RMM: 3 -0.310518038240E+03 0.73400E-02 -0.16550E-02 5998 0.244E-01 0.192E-01 RMM: 4 -0.310517625627E+03 0.41261E-03 -0.94394E-04 4795 0.682E-02 0.127E-01 RMM: 5 -0.310517533804E+03 0.91822E-04 -0.14781E-04 3893 0.295E-02 0.906E-02 RMM: 6 -0.310517492265E+03 0.41540E-04 -0.35412E-05 2955 0.180E-02 0.531E-02 RMM: 7 -0.310517496321E+03 -0.40566E-05 -0.26677E-05 2599 0.153E-02 1405 T= 6818. E= 0.67466551E+03 F= 0.64575149E+03 E0= 0.67445807E+03 EK= 0.55520E+02 SP= -.27E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310860333701E+03 -0.34284E+00 -0.13721E-01 8672 0.245E+01 0.235E-01 RMM: 2 -0.310884787657E+03 -0.24454E-01 -0.18297E-01 5363 0.915E-01 0.109E+00 RMM: 3 -0.310875737303E+03 0.90504E-02 -0.17329E-02 6002 0.246E-01 0.214E-01 RMM: 4 -0.310875249788E+03 0.48752E-03 -0.10454E-03 4787 0.712E-02 0.127E-01 RMM: 5 -0.310875166760E+03 0.83027E-04 -0.16002E-04 3904 0.299E-02 0.986E-02 RMM: 6 -0.310875115786E+03 0.50974E-04 -0.39600E-05 3036 0.190E-02 0.544E-02 RMM: 7 -0.310875118891E+03 -0.31053E-05 -0.25581E-05 2588 0.149E-02 1406 T= 6916. E= 0.67466465E+03 F= 0.64539387E+03 E0= 0.67411493E+03 EK= 0.56324E+02 SP= -.27E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311368896871E+03 -0.49378E+00 -0.14762E-01 8704 0.247E+01 0.249E-01 RMM: 2 -0.311396723051E+03 -0.27826E-01 -0.20085E-01 5271 0.965E-01 0.118E+00 RMM: 3 -0.311385846026E+03 0.10877E-01 -0.19203E-02 5918 0.267E-01 0.233E-01 RMM: 4 -0.311385291409E+03 0.55462E-03 -0.12169E-03 4861 0.753E-02 0.120E-01 RMM: 5 -0.311385224538E+03 0.66871E-04 -0.18700E-04 4010 0.316E-02 0.103E-01 RMM: 6 -0.311385168166E+03 0.56372E-04 -0.43096E-05 3091 0.194E-02 0.528E-02 RMM: 7 -0.311385171603E+03 -0.34366E-05 -0.23867E-05 2573 0.144E-02 1407 T= 7033. E= 0.67466497E+03 F= 0.64488382E+03 E0= 0.67361625E+03 EK= 0.57271E+02 SP= -.28E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312040952809E+03 -0.65578E+00 -0.15799E-01 8864 0.249E+01 0.261E-01 RMM: 2 -0.312069702275E+03 -0.28749E-01 -0.20284E-01 5307 0.970E-01 0.124E+00 RMM: 3 -0.312057886499E+03 0.11816E-01 -0.18354E-02 5899 0.269E-01 0.244E-01 RMM: 4 -0.312057324175E+03 0.56232E-03 -0.12624E-03 4855 0.757E-02 0.120E-01 RMM: 5 -0.312057268028E+03 0.56146E-04 -0.19119E-04 3928 0.335E-02 0.107E-01 RMM: 6 -0.312057202309E+03 0.65720E-04 -0.49411E-05 3177 0.205E-02 0.518E-02 RMM: 7 -0.312057206782E+03 -0.44731E-05 -0.26324E-05 2584 0.152E-02 1408 T= 7167. E= 0.67466545E+03 F= 0.64421178E+03 E0= 0.67295216E+03 EK= 0.58365E+02 SP= -.28E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312888079082E+03 -0.83088E+00 -0.17168E-01 8648 0.252E+01 0.272E-01 RMM: 2 -0.312921391952E+03 -0.33313E-01 -0.22482E-01 5269 0.103E+00 0.137E+00 RMM: 3 -0.312906963879E+03 0.14428E-01 -0.20425E-02 5746 0.290E-01 0.253E-01 RMM: 4 -0.312906382933E+03 0.58095E-03 -0.15170E-03 4984 0.818E-02 0.123E-01 RMM: 5 -0.312906330113E+03 0.52820E-04 -0.21906E-04 3962 0.351E-02 0.113E-01 RMM: 6 -0.312906253706E+03 0.76408E-04 -0.57287E-05 3292 0.216E-02 0.503E-02 RMM: 7 -0.312906257029E+03 -0.33232E-05 -0.24950E-05 2573 0.148E-02 1409 T= 7321. E= 0.67466457E+03 F= 0.64336273E+03 E0= 0.67210848E+03 EK= 0.59616E+02 SP= -.29E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313915147202E+03 -0.10089E+01 -0.17450E-01 8920 0.255E+01 0.248E-01 RMM: 2 -0.313944168993E+03 -0.29022E-01 -0.21467E-01 5318 0.986E-01 0.118E+00 RMM: 3 -0.313932981016E+03 0.11188E-01 -0.17802E-02 5884 0.267E-01 0.217E-01 RMM: 4 -0.313932528005E+03 0.45301E-03 -0.11985E-03 4923 0.733E-02 0.131E-01 RMM: 5 -0.313932444222E+03 0.83782E-04 -0.18012E-04 3900 0.343E-02 0.101E-01 RMM: 6 -0.313932384212E+03 0.60010E-04 -0.51351E-05 3199 0.206E-02 0.513E-02 RMM: 7 -0.313932391028E+03 -0.68164E-05 -0.30121E-05 2619 0.160E-02 1410 T= 7492. E= 0.67466093E+03 F= 0.64233660E+03 E0= 0.67108463E+03 EK= 0.61013E+02 SP= -.29E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315086443192E+03 -0.11541E+01 -0.17760E-01 8888 0.258E+01 0.242E-01 RMM: 2 -0.315114891405E+03 -0.28448E-01 -0.21158E-01 5407 0.975E-01 0.116E+00 RMM: 3 -0.315103860520E+03 0.11031E-01 -0.16279E-02 5841 0.256E-01 0.219E-01 RMM: 4 -0.315103443769E+03 0.41675E-03 -0.11881E-03 4849 0.735E-02 0.133E-01 RMM: 5 -0.315103350768E+03 0.93001E-04 -0.18191E-04 3895 0.340E-02 0.101E-01 RMM: 6 -0.315103291794E+03 0.58974E-04 -0.53819E-05 3255 0.210E-02 0.517E-02 RMM: 7 -0.315103297863E+03 -0.60697E-05 -0.30666E-05 2634 0.159E-02 1411 T= 7677. E= 0.67465398E+03 F= 0.64116569E+03 E0= 0.66991278E+03 EK= 0.62517E+02 SP= -.29E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316332369449E+03 -0.12291E+01 -0.18315E-01 8776 0.262E+01 0.231E-01 RMM: 2 -0.316358745104E+03 -0.26376E-01 -0.21280E-01 5346 0.990E-01 0.101E+00 RMM: 3 -0.316350174926E+03 0.85702E-02 -0.17288E-02 6070 0.249E-01 0.204E-01 RMM: 4 -0.316349725991E+03 0.44893E-03 -0.10149E-03 4775 0.715E-02 0.145E-01 RMM: 5 -0.316349589214E+03 0.13678E-03 -0.17382E-04 3903 0.336E-02 0.913E-02 RMM: 6 -0.316349544988E+03 0.44226E-04 -0.46697E-05 3147 0.199E-02 0.545E-02 RMM: 7 -0.316349545844E+03 -0.85573E-06 -0.35508E-05 2676 0.168E-02 1412 T= 7865. E= 0.67464455E+03 F= 0.63991944E+03 E0= 0.66866059E+03 EK= 0.64049E+02 SP= -.29E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317556487752E+03 -0.12069E+01 -0.18650E-01 8576 0.265E+01 0.256E-01 RMM: 2 -0.317585389637E+03 -0.28902E-01 -0.22093E-01 5241 0.104E+00 0.115E+00 RMM: 3 -0.317575245426E+03 0.10144E-01 -0.19978E-02 6002 0.270E-01 0.231E-01 RMM: 4 -0.317574672005E+03 0.57342E-03 -0.11855E-03 4828 0.773E-02 0.143E-01 RMM: 5 -0.317574536782E+03 0.13522E-03 -0.19277E-04 3911 0.350E-02 0.955E-02 RMM: 6 -0.317574487278E+03 0.49504E-04 -0.53841E-05 3251 0.211E-02 0.562E-02 RMM: 7 -0.317574488603E+03 -0.13247E-05 -0.37426E-05 2721 0.175E-02 1413 T= 8043. E= 0.67463431E+03 F= 0.63869450E+03 E0= 0.66742392E+03 EK= 0.65501E+02 SP= -.30E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318658034495E+03 -0.10835E+01 -0.17658E-01 8440 0.267E+01 0.279E-01 RMM: 2 -0.318687683199E+03 -0.29649E-01 -0.21524E-01 5201 0.104E+00 0.124E+00 RMM: 3 -0.318676130278E+03 0.11553E-01 -0.20523E-02 5970 0.278E-01 0.248E-01 RMM: 4 -0.318675513883E+03 0.61639E-03 -0.13068E-03 4858 0.806E-02 0.148E-01 RMM: 5 -0.318675366903E+03 0.14698E-03 -0.20751E-04 3918 0.358E-02 0.976E-02 RMM: 6 -0.318675314330E+03 0.52573E-04 -0.55179E-05 3261 0.214E-02 0.553E-02 RMM: 7 -0.318675316775E+03 -0.24448E-05 -0.39883E-05 2836 0.180E-02 1414 T= 8198. E= 0.67462659E+03 F= 0.63759367E+03 E0= 0.66630364E+03 EK= 0.66763E+02 SP= -.30E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319557467286E+03 -0.88215E+00 -0.17224E-01 8256 0.268E+01 0.306E-01 RMM: 2 -0.319590057772E+03 -0.32590E-01 -0.21804E-01 5185 0.106E+00 0.142E+00 RMM: 3 -0.319575616183E+03 0.14442E-01 -0.21821E-02 5883 0.294E-01 0.276E-01 RMM: 4 -0.319574923332E+03 0.69285E-03 -0.15312E-03 4908 0.853E-02 0.146E-01 RMM: 5 -0.319574793386E+03 0.12995E-03 -0.22399E-04 3941 0.362E-02 0.108E-01 RMM: 6 -0.319574726531E+03 0.66855E-04 -0.59281E-05 3324 0.221E-02 0.558E-02 RMM: 7 -0.319574731663E+03 -0.51324E-05 -0.36422E-05 2776 0.176E-02 1415 T= 8319. E= 0.67462159E+03 F= 0.63669426E+03 E0= 0.66537755E+03 EK= 0.67746E+02 SP= -.30E+02 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320216765130E+03 -0.64204E+00 -0.16564E-01 8120 0.269E+01 0.298E-01 RMM: 2 -0.320247033268E+03 -0.30268E-01 -0.20291E-01 5222 0.102E+00 0.136E+00 RMM: 3 -0.320233338275E+03 0.13695E-01 -0.19926E-02 5882 0.284E-01 0.250E-01 RMM: 4 -0.320232796781E+03 0.54149E-03 -0.13854E-03 4867 0.808E-02 0.150E-01 RMM: 5 -0.320232648260E+03 0.14852E-03 -0.20011E-04 3919 0.343E-02 0.103E-01 RMM: 6 -0.320232591024E+03 0.57236E-04 -0.53763E-05 3238 0.212E-02 0.578E-02 RMM: 7 -0.320232597214E+03 -0.61906E-05 -0.40633E-05 2905 0.182E-02 1416 T= 8400. E= 0.67462059E+03 F= 0.63603639E+03 E0= 0.66468560E+03 EK= 0.68404E+02 SP= -.30E+02 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320637610799E+03 -0.40502E+00 -0.16665E-01 8064 0.268E+01 0.290E-01 RMM: 2 -0.320666203880E+03 -0.28593E-01 -0.18749E-01 5159 0.100E+00 0.137E+00 RMM: 3 -0.320653087847E+03 0.13116E-01 -0.19257E-02 5821 0.283E-01 0.254E-01 RMM: 4 -0.320652548442E+03 0.53941E-03 -0.13573E-03 4833 0.800E-02 0.141E-01 RMM: 5 -0.320652429849E+03 0.11859E-03 -0.18891E-04 3939 0.340E-02 0.105E-01 RMM: 6 -0.320652370147E+03 0.59701E-04 -0.50465E-05 3172 0.207E-02 0.579E-02 RMM: 7 -0.320652378698E+03 -0.85506E-05 -0.39365E-05 2895 0.184E-02 1417 T= 8440. E= 0.67462130E+03 F= 0.63561661E+03 E0= 0.66422644E+03 EK= 0.68731E+02 SP= -.30E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320848522627E+03 -0.19615E+00 -0.16863E-01 7760 0.267E+01 0.251E-01 RMM: 2 -0.320874070168E+03 -0.25548E-01 -0.19261E-01 5052 0.102E+00 0.112E+00 RMM: 3 -0.320864873054E+03 0.91971E-02 -0.20178E-02 5888 0.279E-01 0.198E-01 RMM: 4 -0.320864474720E+03 0.39833E-03 -0.11281E-03 4845 0.747E-02 0.145E-01 RMM: 5 -0.320864341599E+03 0.13312E-03 -0.16590E-04 4048 0.325E-02 0.936E-02 RMM: 6 -0.320864298519E+03 0.43081E-04 -0.42452E-05 3036 0.194E-02 0.573E-02 RMM: 7 -0.320864307065E+03 -0.85462E-05 -0.40164E-05 2861 0.181E-02 1418 T= 8443. E= 0.67462303E+03 F= 0.63540468E+03 E0= 0.66397016E+03 EK= 0.68754E+02 SP= -.30E+02 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320892097372E+03 -0.27799E-01 -0.16639E-01 7736 0.266E+01 0.220E-01 RMM: 2 -0.320913916350E+03 -0.21819E-01 -0.17338E-01 5033 0.966E-01 0.974E-01 RMM: 3 -0.320906797036E+03 0.71193E-02 -0.17517E-02 5905 0.264E-01 0.184E-01 RMM: 4 -0.320906482719E+03 0.31432E-03 -0.93024E-04 4796 0.687E-02 0.136E-01 RMM: 5 -0.320906366530E+03 0.11619E-03 -0.13768E-04 3896 0.317E-02 0.853E-02 RMM: 6 -0.320906332603E+03 0.33927E-04 -0.37445E-05 2918 0.184E-02 0.575E-02 RMM: 7 -0.320906339797E+03 -0.71938E-05 -0.42022E-05 2930 0.185E-02 1419 T= 8413. E= 0.67462457E+03 F= 0.63536265E+03 E0= 0.66388055E+03 EK= 0.68512E+02 SP= -.29E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320788472675E+03 0.11786E+00 -0.16201E-01 7632 0.266E+01 0.205E-01 RMM: 2 -0.320808201704E+03 -0.19729E-01 -0.16382E-01 5047 0.933E-01 0.872E-01 RMM: 3 -0.320802205963E+03 0.59957E-02 -0.16323E-02 5887 0.257E-01 0.149E-01 RMM: 4 -0.320802008877E+03 0.19709E-03 -0.83452E-04 4768 0.653E-02 0.145E-01 RMM: 5 -0.320801881230E+03 0.12765E-03 -0.12872E-04 3801 0.313E-02 0.785E-02 RMM: 6 -0.320801854779E+03 0.26451E-04 -0.35848E-05 2858 0.181E-02 0.544E-02 RMM: 7 -0.320801860960E+03 -0.61805E-05 -0.38517E-05 2738 0.178E-02 1420 T= 8354. E= 0.67462414E+03 F= 0.63546713E+03 E0= 0.66393402E+03 EK= 0.68028E+02 SP= -.29E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320531323162E+03 0.27053E+00 -0.16047E-01 7768 0.266E+01 0.190E-01 RMM: 2 -0.320549008322E+03 -0.17685E-01 -0.15037E-01 5025 0.901E-01 0.792E-01 RMM: 3 -0.320543889296E+03 0.51190E-02 -0.14621E-02 5855 0.250E-01 0.160E-01 RMM: 4 -0.320543715815E+03 0.17348E-03 -0.75586E-04 4726 0.626E-02 0.136E-01 RMM: 5 -0.320543588779E+03 0.12704E-03 -0.12023E-04 3775 0.313E-02 0.736E-02 RMM: 6 -0.320543568649E+03 0.20130E-04 -0.34696E-05 2814 0.176E-02 0.582E-02 RMM: 7 -0.320543572416E+03 -0.37677E-05 -0.46811E-05 2980 0.191E-02 1421 T= 8265. E= 0.67462237E+03 F= 0.63572542E+03 E0= 0.66413978E+03 EK= 0.67302E+02 SP= -.29E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320090536699E+03 0.45303E+00 -0.16147E-01 7752 0.266E+01 0.208E-01 RMM: 2 -0.320108894685E+03 -0.18358E-01 -0.14867E-01 5038 0.902E-01 0.880E-01 RMM: 3 -0.320102840614E+03 0.60541E-02 -0.15208E-02 5850 0.257E-01 0.162E-01 RMM: 4 -0.320102674370E+03 0.16624E-03 -0.81908E-04 4757 0.643E-02 0.147E-01 RMM: 5 -0.320102538792E+03 0.13558E-03 -0.12766E-04 3789 0.316E-02 0.777E-02 RMM: 6 -0.320102514677E+03 0.24114E-04 -0.36594E-05 2885 0.182E-02 0.562E-02 RMM: 7 -0.320102518059E+03 -0.33822E-05 -0.41975E-05 2709 0.185E-02 1422 T= 8143. E= 0.67462066E+03 F= 0.63616647E+03 E0= 0.66452715E+03 EK= 0.66314E+02 SP= -.28E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319439089960E+03 0.66342E+00 -0.15821E-01 7840 0.265E+01 0.212E-01 RMM: 2 -0.319457646147E+03 -0.18556E-01 -0.15011E-01 5090 0.901E-01 0.881E-01 RMM: 3 -0.319451391892E+03 0.62543E-02 -0.14696E-02 5902 0.251E-01 0.184E-01 RMM: 4 -0.319451156085E+03 0.23581E-03 -0.82829E-04 4724 0.652E-02 0.138E-01 RMM: 5 -0.319451021913E+03 0.13417E-03 -0.13086E-04 3850 0.318E-02 0.805E-02 RMM: 6 -0.319450996205E+03 0.25708E-04 -0.36847E-05 2886 0.182E-02 0.595E-02 RMM: 7 -0.319451003206E+03 -0.70009E-05 -0.48787E-05 3053 0.193E-02 1423 T= 7988. E= 0.67462097E+03 F= 0.63681799E+03 E0= 0.66512782E+03 EK= 0.65049E+02 SP= -.28E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318576248456E+03 0.87475E+00 -0.15840E-01 7760 0.264E+01 0.233E-01 RMM: 2 -0.318595857978E+03 -0.19610E-01 -0.15036E-01 5073 0.898E-01 0.978E-01 RMM: 3 -0.318588435632E+03 0.74223E-02 -0.15388E-02 5917 0.261E-01 0.203E-01 RMM: 4 -0.318588138048E+03 0.29758E-03 -0.91735E-04 4770 0.672E-02 0.133E-01 RMM: 5 -0.318588032278E+03 0.10577E-03 -0.13369E-04 3814 0.309E-02 0.881E-02 RMM: 6 -0.318587996751E+03 0.35527E-04 -0.37797E-05 2917 0.185E-02 0.574E-02 RMM: 7 -0.318588009705E+03 -0.12954E-04 -0.47780E-05 3057 0.192E-02 1424 T= 7800. E= 0.67462444E+03 F= 0.63768098E+03 E0= 0.66594400E+03 EK= 0.63519E+02 SP= -.27E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317544964779E+03 0.10430E+01 -0.15945E-01 7968 0.262E+01 0.238E-01 RMM: 2 -0.317565337061E+03 -0.20372E-01 -0.15407E-01 5125 0.899E-01 0.100E+00 RMM: 3 -0.317557274295E+03 0.80628E-02 -0.15065E-02 5928 0.259E-01 0.203E-01 RMM: 4 -0.317556982938E+03 0.29136E-03 -0.94695E-04 4799 0.684E-02 0.131E-01 RMM: 5 -0.317556867222E+03 0.11572E-03 -0.13530E-04 3805 0.303E-02 0.893E-02 RMM: 6 -0.317556828928E+03 0.38295E-04 -0.37656E-05 2911 0.185E-02 0.564E-02 RMM: 7 -0.317556838902E+03 -0.99740E-05 -0.41119E-05 2856 0.183E-02 1425 T= 7587. E= 0.67463110E+03 F= 0.63871215E+03 E0= 0.66693634E+03 EK= 0.61783E+02 SP= -.27E+02 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316438282399E+03 0.11185E+01 -0.16210E-01 8104 0.258E+01 0.262E-01 RMM: 2 -0.316461635032E+03 -0.23353E-01 -0.16580E-01 5142 0.935E-01 0.115E+00 RMM: 3 -0.316451608429E+03 0.10027E-01 -0.16707E-02 5907 0.270E-01 0.231E-01 RMM: 4 -0.316451177880E+03 0.43055E-03 -0.10743E-03 4852 0.714E-02 0.122E-01 RMM: 5 -0.316451093099E+03 0.84781E-04 -0.14867E-04 3902 0.307E-02 0.962E-02 RMM: 6 -0.316451045013E+03 0.48086E-04 -0.40893E-05 3002 0.191E-02 0.580E-02 RMM: 7 -0.316451056624E+03 -0.11612E-04 -0.44215E-05 2956 0.189E-02 1426 T= 7361. E= 0.67464111E+03 F= 0.63981793E+03 E0= 0.66801279E+03 EK= 0.59947E+02 SP= -.26E+02 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315392926484E+03 0.10581E+01 -0.16247E-01 8152 0.254E+01 0.254E-01 RMM: 2 -0.315417433808E+03 -0.24507E-01 -0.17755E-01 5142 0.961E-01 0.113E+00 RMM: 3 -0.315407433987E+03 0.99998E-02 -0.17279E-02 5859 0.268E-01 0.222E-01 RMM: 4 -0.315407024502E+03 0.40949E-03 -0.11105E-03 4856 0.737E-02 0.135E-01 RMM: 5 -0.315406904519E+03 0.11998E-03 -0.16426E-04 3938 0.321E-02 0.930E-02 RMM: 6 -0.315406859809E+03 0.44710E-04 -0.40558E-05 3017 0.190E-02 0.561E-02 RMM: 7 -0.315406865895E+03 -0.60861E-05 -0.34105E-05 2668 0.169E-02 1427 T= 7142. E= 0.67465184E+03 F= 0.64086212E+03 E0= 0.66903927E+03 EK= 0.58160E+02 SP= -.25E+02 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314562507587E+03 0.84435E+00 -0.15198E-01 8312 0.249E+01 0.266E-01 RMM: 2 -0.314586438743E+03 -0.23931E-01 -0.16639E-01 5286 0.920E-01 0.119E+00 RMM: 3 -0.314575796649E+03 0.10642E-01 -0.15733E-02 5858 0.260E-01 0.215E-01 RMM: 4 -0.314575419403E+03 0.37725E-03 -0.10535E-03 4827 0.698E-02 0.134E-01 RMM: 5 -0.314575315623E+03 0.10378E-03 -0.15420E-04 3894 0.321E-02 0.998E-02 RMM: 6 -0.314575262921E+03 0.52702E-04 -0.49120E-05 3153 0.205E-02 0.612E-02 RMM: 7 -0.314575269966E+03 -0.70449E-05 -0.55990E-05 3196 0.207E-02 1428 T= 6948. E= 0.67466138E+03 F= 0.64169372E+03 E0= 0.66986520E+03 EK= 0.56578E+02 SP= -.25E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314077455796E+03 0.49781E+00 -0.15578E-01 8176 0.245E+01 0.254E-01 RMM: 2 -0.314101425374E+03 -0.23970E-01 -0.16786E-01 5036 0.940E-01 0.115E+00 RMM: 3 -0.314091485493E+03 0.99399E-02 -0.17417E-02 5805 0.268E-01 0.236E-01 RMM: 4 -0.314091003185E+03 0.48231E-03 -0.11688E-03 4843 0.769E-02 0.130E-01 RMM: 5 -0.314090910171E+03 0.93015E-04 -0.18177E-04 3913 0.330E-02 0.959E-02 RMM: 6 -0.314090858600E+03 0.51571E-04 -0.44940E-05 3093 0.200E-02 0.499E-02 RMM: 7 -0.314090865317E+03 -0.67166E-05 -0.26296E-05 2581 0.154E-02 1429 T= 6796. E= 0.67466758E+03 F= 0.64217812E+03 E0= 0.67035611E+03 EK= 0.55341E+02 SP= -.24E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314028224666E+03 0.62634E-01 -0.14069E-01 8272 0.242E+01 0.269E-01 RMM: 2 -0.314050714730E+03 -0.22490E-01 -0.14708E-01 5187 0.868E-01 0.121E+00 RMM: 3 -0.314039993711E+03 0.10721E-01 -0.15178E-02 5698 0.259E-01 0.252E-01 RMM: 4 -0.314039480343E+03 0.51337E-03 -0.11627E-03 4809 0.726E-02 0.112E-01 RMM: 5 -0.314039444502E+03 0.35842E-04 -0.17216E-04 3908 0.330E-02 0.109E-01 RMM: 6 -0.314039372169E+03 0.72332E-04 -0.53351E-05 3226 0.216E-02 0.499E-02 RMM: 7 -0.314039380257E+03 -0.80877E-05 -0.36162E-05 2840 0.180E-02 1430 T= 6697. E= 0.67466929E+03 F= 0.64222961E+03 E0= 0.67042609E+03 EK= 0.54534E+02 SP= -.23E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314434825727E+03 -0.39545E+00 -0.13806E-01 8496 0.241E+01 0.250E-01 RMM: 2 -0.314458997579E+03 -0.24172E-01 -0.13581E-01 5102 0.832E-01 0.133E+00 RMM: 3 -0.314445864091E+03 0.13133E-01 -0.14384E-02 5598 0.253E-01 0.210E-01 RMM: 4 -0.314445543964E+03 0.32013E-03 -0.11623E-03 4740 0.735E-02 0.128E-01 RMM: 5 -0.314445459347E+03 0.84617E-04 -0.16607E-04 3963 0.316E-02 0.910E-02 RMM: 6 -0.314445413526E+03 0.45821E-04 -0.40020E-05 3042 0.189E-02 0.467E-02 RMM: 7 -0.314445423675E+03 -0.10148E-04 -0.25094E-05 2592 0.153E-02 1431 T= 6653. E= 0.67466727E+03 F= 0.64182357E+03 E0= 0.67004903E+03 EK= 0.54181E+02 SP= -.22E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315266392628E+03 -0.82098E+00 -0.14373E-01 8576 0.240E+01 0.255E-01 RMM: 2 -0.315286935739E+03 -0.20543E-01 -0.13870E-01 5168 0.835E-01 0.112E+00 RMM: 3 -0.315277801191E+03 0.91345E-02 -0.14661E-02 5685 0.250E-01 0.252E-01 RMM: 4 -0.315277275874E+03 0.52532E-03 -0.11228E-03 4843 0.695E-02 0.108E-01 RMM: 5 -0.315277227532E+03 0.48342E-04 -0.15030E-04 3922 0.306E-02 0.963E-02 RMM: 6 -0.315277176150E+03 0.51382E-04 -0.37558E-05 2978 0.185E-02 0.549E-02 RMM: 7 -0.315277186249E+03 -0.10098E-04 -0.33345E-05 2733 0.171E-02 1432 T= 6661. E= 0.67466133E+03 F= 0.64099180E+03 E0= 0.66925526E+03 EK= 0.54247E+02 SP= -.22E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316445794307E+03 -0.11686E+01 -0.14404E-01 8840 0.241E+01 0.200E-01 RMM: 2 -0.316463498974E+03 -0.17705E-01 -0.13249E-01 5304 0.779E-01 0.930E-01 RMM: 3 -0.316456714126E+03 0.67848E-02 -0.11516E-02 5755 0.216E-01 0.199E-01 RMM: 4 -0.316456386358E+03 0.32777E-03 -0.83328E-04 4798 0.612E-02 0.104E-01 RMM: 5 -0.316456323646E+03 0.62711E-04 -0.10577E-04 3790 0.255E-02 0.802E-02 RMM: 6 -0.316456297506E+03 0.26140E-04 -0.24625E-05 2602 0.151E-02 0.582E-02 RMM: 7 -0.316456305837E+03 -0.83315E-05 -0.38472E-05 2811 0.171E-02 1433 T= 6710. E= 0.67465234E+03 F= 0.63981268E+03 E0= 0.66811932E+03 EK= 0.54646E+02 SP= -.21E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317863461266E+03 -0.14072E+01 -0.14774E-01 8664 0.243E+01 0.213E-01 RMM: 2 -0.317882117524E+03 -0.18656E-01 -0.13585E-01 5335 0.780E-01 0.983E-01 RMM: 3 -0.317874612687E+03 0.75048E-02 -0.11772E-02 5786 0.217E-01 0.213E-01 RMM: 4 -0.317874230431E+03 0.38226E-03 -0.86793E-04 4851 0.615E-02 0.103E-01 RMM: 5 -0.317874169784E+03 0.60647E-04 -0.11134E-04 3795 0.266E-02 0.823E-02 RMM: 6 -0.317874139529E+03 0.30255E-04 -0.28943E-05 2760 0.160E-02 0.647E-02 RMM: 7 -0.317874143945E+03 -0.44167E-05 -0.37198E-05 2771 0.173E-02 1434 T= 6787. E= 0.67464164E+03 F= 0.63839485E+03 E0= 0.66674734E+03 EK= 0.55267E+02 SP= -.20E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319396593625E+03 -0.15225E+01 -0.14885E-01 8408 0.245E+01 0.233E-01 RMM: 2 -0.319417025930E+03 -0.20432E-01 -0.14485E-01 5188 0.826E-01 0.107E+00 RMM: 3 -0.319408518243E+03 0.85077E-02 -0.13975E-02 5761 0.240E-01 0.212E-01 RMM: 4 -0.319408117488E+03 0.40076E-03 -0.10180E-03 5077 0.636E-02 0.100E-01 RMM: 5 -0.319408053502E+03 0.63985E-04 -0.11295E-04 3793 0.274E-02 0.829E-02 RMM: 6 -0.319408023509E+03 0.29993E-04 -0.28346E-05 2686 0.158E-02 0.645E-02 RMM: 7 -0.319408027187E+03 -0.36783E-05 -0.60771E-05 3269 0.208E-02 1435 T= 6875. E= 0.67463134E+03 F= 0.63686096E+03 E0= 0.66525895E+03 EK= 0.55984E+02 SP= -.19E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320932743463E+03 -0.15247E+01 -0.15260E-01 8160 0.247E+01 0.251E-01 RMM: 2 -0.320956295157E+03 -0.23552E-01 -0.14727E-01 5223 0.847E-01 0.127E+00 RMM: 3 -0.320945020386E+03 0.11275E-01 -0.14541E-02 5759 0.244E-01 0.247E-01 RMM: 4 -0.320944505472E+03 0.51491E-03 -0.10994E-03 4781 0.709E-02 0.109E-01 RMM: 5 -0.320944446889E+03 0.58583E-04 -0.15215E-04 3882 0.307E-02 0.939E-02 RMM: 6 -0.320944400501E+03 0.46388E-04 -0.42641E-05 3086 0.188E-02 0.636E-02 RMM: 7 -0.320944410103E+03 -0.96018E-05 -0.40717E-05 2877 0.181E-02 1436 T= 6960. E= 0.67462294E+03 F= 0.63532458E+03 E0= 0.66376615E+03 EK= 0.56679E+02 SP= -.19E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322387363028E+03 -0.14430E+01 -0.15433E-01 8448 0.248E+01 0.311E-01 RMM: 2 -0.322416114373E+03 -0.28751E-01 -0.14395E-01 5314 0.842E-01 0.157E+00 RMM: 3 -0.322398687497E+03 0.17427E-01 -0.15224E-02 5529 0.269E-01 0.289E-01 RMM: 4 -0.322398060051E+03 0.62745E-03 -0.14930E-03 4802 0.792E-02 0.112E-01 RMM: 5 -0.322398016870E+03 0.43182E-04 -0.19104E-04 3909 0.343E-02 0.109E-01 RMM: 6 -0.322397950545E+03 0.66325E-04 -0.49117E-05 3172 0.203E-02 0.593E-02 RMM: 7 -0.322397964699E+03 -0.14155E-04 -0.36425E-05 2826 0.176E-02 1437 T= 7032. E= 0.67461690E+03 F= 0.63387102E+03 E0= 0.66235279E+03 EK= 0.57265E+02 SP= -.18E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323702089181E+03 -0.13041E+01 -0.15285E-01 8304 0.249E+01 0.304E-01 RMM: 2 -0.323727997164E+03 -0.25908E-01 -0.15416E-01 5321 0.870E-01 0.141E+00 RMM: 3 -0.323714402122E+03 0.13595E-01 -0.16283E-02 5636 0.267E-01 0.269E-01 RMM: 4 -0.323713843441E+03 0.55868E-03 -0.14449E-03 4765 0.794E-02 0.132E-01 RMM: 5 -0.323713785761E+03 0.57680E-04 -0.20229E-04 3914 0.348E-02 0.112E-01 RMM: 6 -0.323713709608E+03 0.76154E-04 -0.54060E-05 3250 0.212E-02 0.576E-02 RMM: 7 -0.323713719067E+03 -0.94592E-05 -0.32658E-05 2711 0.171E-02 1438 T= 7084. E= 0.67461241E+03 F= 0.63255527E+03 E0= 0.66107499E+03 EK= 0.57686E+02 SP= -.17E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324839953971E+03 -0.11262E+01 -0.14300E-01 8232 0.249E+01 0.304E-01 RMM: 2 -0.324868741316E+03 -0.28787E-01 -0.15034E-01 5378 0.844E-01 0.155E+00 RMM: 3 -0.324851721040E+03 0.17020E-01 -0.14704E-02 5500 0.266E-01 0.270E-01 RMM: 4 -0.324851204821E+03 0.51622E-03 -0.15114E-03 4838 0.792E-02 0.127E-01 RMM: 5 -0.324851148390E+03 0.56431E-04 -0.20077E-04 3892 0.358E-02 0.113E-01 RMM: 6 -0.324851074918E+03 0.73471E-04 -0.56088E-05 3281 0.215E-02 0.568E-02 RMM: 7 -0.324851084557E+03 -0.96382E-05 -0.30664E-05 2652 0.163E-02 1439 T= 7110. E= 0.67460755E+03 F= 0.63141790E+03 E0= 0.65997277E+03 EK= 0.57898E+02 SP= -.16E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325746429375E+03 -0.89535E+00 -0.14865E-01 8376 0.249E+01 0.251E-01 RMM: 2 -0.325770330775E+03 -0.23901E-01 -0.16800E-01 5325 0.866E-01 0.118E+00 RMM: 3 -0.325759991890E+03 0.10339E-01 -0.14800E-02 5755 0.247E-01 0.207E-01 RMM: 4 -0.325759682571E+03 0.30932E-03 -0.11752E-03 4809 0.712E-02 0.142E-01 RMM: 5 -0.325759574544E+03 0.10803E-03 -0.16264E-04 3889 0.314E-02 0.937E-02 RMM: 6 -0.325759527936E+03 0.46607E-04 -0.38767E-05 2996 0.186E-02 0.561E-02 RMM: 7 -0.325759533973E+03 -0.60369E-05 -0.32925E-05 2662 0.167E-02 1440 T= 7104. E= 0.67460208E+03 F= 0.63050946E+03 E0= 0.65909837E+03 EK= 0.57854E+02 SP= -.15E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326364300269E+03 -0.60477E+00 -0.15046E-01 8656 0.249E+01 0.229E-01 RMM: 2 -0.326388040816E+03 -0.23741E-01 -0.17105E-01 5548 0.846E-01 0.111E+00 RMM: 3 -0.326378050147E+03 0.99907E-02 -0.12279E-02 5658 0.229E-01 0.213E-01 RMM: 4 -0.326377765888E+03 0.28426E-03 -0.11363E-03 4785 0.700E-02 0.137E-01 RMM: 5 -0.326377658890E+03 0.10700E-03 -0.15889E-04 3883 0.307E-02 0.925E-02 RMM: 6 -0.326377622942E+03 0.35948E-04 -0.34465E-05 2946 0.177E-02 0.649E-02 RMM: 7 -0.326377625077E+03 -0.21344E-05 -0.38936E-05 2766 0.174E-02 1441 T= 7061. E= 0.67459824E+03 F= 0.62989136E+03 E0= 0.65851345E+03 EK= 0.57500E+02 SP= -.14E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326644931389E+03 -0.26731E+00 -0.17050E-01 8752 0.247E+01 0.219E-01 RMM: 2 -0.326669431600E+03 -0.24500E-01 -0.20318E-01 5603 0.916E-01 0.942E-01 RMM: 3 -0.326661682155E+03 0.77494E-02 -0.13958E-02 5876 0.237E-01 0.171E-01 RMM: 4 -0.326661479479E+03 0.20268E-03 -0.97676E-04 4851 0.655E-02 0.155E-01 RMM: 5 -0.326661335298E+03 0.14418E-03 -0.13681E-04 3814 0.298E-02 0.873E-02 RMM: 6 -0.326661311188E+03 0.24110E-04 -0.30143E-05 2743 0.165E-02 0.701E-02 RMM: 7 -0.326661308747E+03 0.24413E-05 -0.55459E-05 3146 0.195E-02 1442 T= 6975. E= 0.67459748E+03 F= 0.62960768E+03 E0= 0.65826383E+03 EK= 0.56800E+02 SP= -.14E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326594503026E+03 0.66808E-01 -0.18657E-01 8952 0.245E+01 0.227E-01 RMM: 2 -0.326621193007E+03 -0.26690E-01 -0.20986E-01 5845 0.913E-01 0.104E+00 RMM: 3 -0.326611989982E+03 0.92030E-02 -0.12684E-02 5732 0.232E-01 0.220E-01 RMM: 4 -0.326611683957E+03 0.30603E-03 -0.11048E-03 4796 0.701E-02 0.147E-01 RMM: 5 -0.326611559233E+03 0.12472E-03 -0.15623E-04 3894 0.304E-02 0.971E-02 RMM: 6 -0.326611526962E+03 0.32271E-04 -0.32761E-05 2878 0.173E-02 0.736E-02 RMM: 7 -0.326611534188E+03 -0.72253E-05 -0.51221E-05 3155 0.191E-02 1443 T= 6848. E= 0.67460037E+03 F= 0.62965746E+03 E0= 0.65834740E+03 EK= 0.55765E+02 SP= -.13E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326268599610E+03 0.34293E+00 -0.20379E-01 8944 0.241E+01 0.208E-01 RMM: 2 -0.326294410635E+03 -0.25811E-01 -0.22001E-01 6050 0.911E-01 0.891E-01 RMM: 3 -0.326287014421E+03 0.73962E-02 -0.11484E-02 5608 0.228E-01 0.182E-01 RMM: 4 -0.326286862205E+03 0.15222E-03 -0.97154E-04 4937 0.624E-02 0.146E-01 RMM: 5 -0.326286730387E+03 0.13182E-03 -0.11881E-04 3837 0.274E-02 0.891E-02 RMM: 6 -0.326286706841E+03 0.23546E-04 -0.30844E-05 2804 0.167E-02 0.711E-02 RMM: 7 -0.326286717615E+03 -0.10774E-04 -0.63159E-05 3331 0.199E-02 1444 T= 6688. E= 0.67460631E+03 F= 0.62998227E+03 E0= 0.65870560E+03 EK= 0.54466E+02 SP= -.12E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325769274608E+03 0.51743E+00 -0.22013E-01 8896 0.237E+01 0.205E-01 RMM: 2 -0.325795258183E+03 -0.25984E-01 -0.22564E-01 6123 0.906E-01 0.843E-01 RMM: 3 -0.325788131401E+03 0.71268E-02 -0.10348E-02 5820 0.218E-01 0.178E-01 RMM: 4 -0.325787960916E+03 0.17049E-03 -0.87845E-04 4840 0.616E-02 0.147E-01 RMM: 5 -0.325787839082E+03 0.12183E-03 -0.12398E-04 3826 0.286E-02 0.887E-02 RMM: 6 -0.325787810129E+03 0.28953E-04 -0.31038E-05 2873 0.171E-02 0.653E-02 RMM: 7 -0.325787826618E+03 -0.16489E-04 -0.40829E-05 2899 0.175E-02 1445 T= 6510. E= 0.67461330E+03 F= 0.63048116E+03 E0= 0.65923411E+03 EK= 0.53010E+02 SP= -.11E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325211037775E+03 0.57677E+00 -0.24272E-01 8896 0.232E+01 0.200E-01 RMM: 2 -0.325238544748E+03 -0.27507E-01 -0.23882E-01 6077 0.944E-01 0.854E-01 RMM: 3 -0.325231530249E+03 0.70145E-02 -0.11700E-02 5648 0.232E-01 0.182E-01 RMM: 4 -0.325231330149E+03 0.20010E-03 -0.91838E-04 4951 0.621E-02 0.134E-01 RMM: 5 -0.325231226515E+03 0.10363E-03 -0.11707E-04 3850 0.281E-02 0.838E-02 RMM: 6 -0.325231199501E+03 0.27013E-04 -0.31903E-05 2881 0.171E-02 0.594E-02 RMM: 7 -0.325231216854E+03 -0.17353E-04 -0.43724E-05 2958 0.182E-02 1446 T= 6327. E= 0.67462005E+03 F= 0.63103777E+03 E0= 0.65981539E+03 EK= 0.51523E+02 SP= -.97E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324708096693E+03 0.52310E+00 -0.25874E-01 8808 0.228E+01 0.204E-01 RMM: 2 -0.324735839600E+03 -0.27743E-01 -0.23803E-01 6069 0.941E-01 0.874E-01 RMM: 3 -0.324728513602E+03 0.73260E-02 -0.11275E-02 5824 0.226E-01 0.185E-01 RMM: 4 -0.324728269473E+03 0.24413E-03 -0.89744E-04 4858 0.636E-02 0.128E-01 RMM: 5 -0.324728187979E+03 0.81494E-04 -0.12728E-04 3823 0.293E-02 0.837E-02 RMM: 6 -0.324728157563E+03 0.30416E-04 -0.32841E-05 2919 0.174E-02 0.552E-02 RMM: 7 -0.324728177273E+03 -0.19710E-04 -0.32779E-05 2677 0.165E-02 1447 T= 6155. E= 0.67462544E+03 F= 0.63154081E+03 E0= 0.66033477E+03 EK= 0.50120E+02 SP= -.88E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324347692786E+03 0.38046E+00 -0.26274E-01 8848 0.225E+01 0.204E-01 RMM: 2 -0.324375315434E+03 -0.27623E-01 -0.23283E-01 6247 0.926E-01 0.902E-01 RMM: 3 -0.324367747584E+03 0.75678E-02 -0.10384E-02 5583 0.221E-01 0.199E-01 RMM: 4 -0.324367516652E+03 0.23093E-03 -0.91003E-04 4884 0.622E-02 0.125E-01 RMM: 5 -0.324367428689E+03 0.87962E-04 -0.12463E-04 3868 0.287E-02 0.818E-02 RMM: 6 -0.324367396994E+03 0.31695E-04 -0.33843E-05 2933 0.175E-02 0.510E-02 RMM: 7 -0.324367412868E+03 -0.15874E-04 -0.36959E-05 2810 0.176E-02 1448 T= 6004. E= 0.67462885E+03 F= 0.63190158E+03 E0= 0.66070302E+03 EK= 0.48893E+02 SP= -.79E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324190611076E+03 0.17679E+00 -0.24906E-01 8880 0.223E+01 0.207E-01 RMM: 2 -0.324217434065E+03 -0.26823E-01 -0.22169E-01 6233 0.895E-01 0.931E-01 RMM: 3 -0.324209335391E+03 0.80987E-02 -0.95965E-03 5821 0.207E-01 0.178E-01 RMM: 4 -0.324209127834E+03 0.20756E-03 -0.84174E-04 4819 0.617E-02 0.125E-01 RMM: 5 -0.324209048183E+03 0.79651E-04 -0.12632E-04 3829 0.283E-02 0.805E-02 RMM: 6 -0.324209015709E+03 0.32474E-04 -0.31550E-05 2917 0.172E-02 0.476E-02 RMM: 7 -0.324209031931E+03 -0.16221E-04 -0.25756E-05 2575 0.147E-02 1449 T= 5882. E= 0.67463003E+03 F= 0.63205996E+03 E0= 0.66085794E+03 EK= 0.47903E+02 SP= -.70E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324267923600E+03 -0.58908E-01 -0.23821E-01 8928 0.222E+01 0.209E-01 RMM: 2 -0.324293804838E+03 -0.25881E-01 -0.21940E-01 5884 0.928E-01 0.883E-01 RMM: 3 -0.324286706133E+03 0.70987E-02 -0.11851E-02 5833 0.222E-01 0.193E-01 RMM: 4 -0.324286414389E+03 0.29174E-03 -0.86895E-04 4867 0.621E-02 0.120E-01 RMM: 5 -0.324286341142E+03 0.73247E-04 -0.12915E-04 3845 0.289E-02 0.820E-02 RMM: 6 -0.324286304317E+03 0.36825E-04 -0.34095E-05 2939 0.175E-02 0.433E-02 RMM: 7 -0.324286316845E+03 -0.12528E-04 -0.26746E-05 2578 0.154E-02 1450 T= 5794. E= 0.67462978E+03 F= 0.63198267E+03 E0= 0.66076683E+03 EK= 0.47183E+02 SP= -.61E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324595008627E+03 -0.30870E+00 -0.21567E-01 8992 0.221E+01 0.212E-01 RMM: 2 -0.324619369415E+03 -0.24361E-01 -0.19618E-01 5957 0.869E-01 0.949E-01 RMM: 3 -0.324611409919E+03 0.79595E-02 -0.98081E-03 5914 0.205E-01 0.190E-01 RMM: 4 -0.324611138753E+03 0.27117E-03 -0.82222E-04 4784 0.611E-02 0.113E-01 RMM: 5 -0.324611076887E+03 0.61866E-04 -0.12492E-04 3809 0.277E-02 0.816E-02 RMM: 6 -0.324611040065E+03 0.36822E-04 -0.32870E-05 2945 0.175E-02 0.432E-02 RMM: 7 -0.324611051367E+03 -0.11302E-04 -0.25330E-05 2563 0.145E-02 1451 T= 5740. E= 0.67462860E+03 F= 0.63165794E+03 E0= 0.66041735E+03 EK= 0.46743E+02 SP= -.52E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325165329002E+03 -0.55429E+00 -0.19367E-01 9072 0.222E+01 0.223E-01 RMM: 2 -0.325189564283E+03 -0.24235E-01 -0.18456E-01 5778 0.859E-01 0.103E+00 RMM: 3 -0.325180636055E+03 0.89282E-02 -0.10717E-02 5757 0.217E-01 0.225E-01 RMM: 4 -0.325180264846E+03 0.37121E-03 -0.94826E-04 4797 0.644E-02 0.101E-01 RMM: 5 -0.325180218750E+03 0.46096E-04 -0.13846E-04 3882 0.284E-02 0.873E-02 RMM: 6 -0.325180173641E+03 0.45108E-04 -0.33913E-05 2943 0.176E-02 0.414E-02 RMM: 7 -0.325180179318E+03 -0.56763E-05 -0.19959E-05 2528 0.133E-02 1452 T= 5720. E= 0.67462649E+03 F= 0.63108881E+03 E0= 0.65981491E+03 EK= 0.46578E+02 SP= -.44E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325965014489E+03 -0.78484E+00 -0.16951E-01 9104 0.222E+01 0.212E-01 RMM: 2 -0.325986677870E+03 -0.21663E-01 -0.17142E-01 5616 0.843E-01 0.938E-01 RMM: 3 -0.325979205017E+03 0.74729E-02 -0.11229E-02 5962 0.213E-01 0.183E-01 RMM: 4 -0.325978903206E+03 0.30181E-03 -0.80777E-04 4864 0.597E-02 0.105E-01 RMM: 5 -0.325978847606E+03 0.55599E-04 -0.11872E-04 3784 0.266E-02 0.831E-02 RMM: 6 -0.325978807991E+03 0.39616E-04 -0.31087E-05 2862 0.171E-02 0.417E-02 RMM: 7 -0.325978814268E+03 -0.62769E-05 -0.20997E-05 2539 0.134E-02 1453 T= 5731. E= 0.67462396E+03 F= 0.63029018E+03 E0= 0.65897591E+03 EK= 0.46668E+02 SP= -.36E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326973164735E+03 -0.99436E+00 -0.15026E-01 9040 0.224E+01 0.208E-01 RMM: 2 -0.326993374106E+03 -0.20209E-01 -0.15837E-01 5544 0.823E-01 0.927E-01 RMM: 3 -0.326986222281E+03 0.71518E-02 -0.11087E-02 5959 0.211E-01 0.196E-01 RMM: 4 -0.326985887336E+03 0.33495E-03 -0.79930E-04 4843 0.599E-02 0.101E-01 RMM: 5 -0.326985830313E+03 0.57022E-04 -0.11831E-04 3795 0.268E-02 0.794E-02 RMM: 6 -0.326985794654E+03 0.35659E-04 -0.29269E-05 2794 0.166E-02 0.411E-02 RMM: 7 -0.326985797691E+03 -0.30371E-05 -0.18810E-05 2523 0.128E-02 1454 T= 5770. E= 0.67462077E+03 F= 0.62928319E+03 E0= 0.65792518E+03 EK= 0.46989E+02 SP= -.28E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328160969716E+03 -0.11752E+01 -0.13817E-01 9064 0.226E+01 0.192E-01 RMM: 2 -0.328178877280E+03 -0.17908E-01 -0.14646E-01 5371 0.814E-01 0.830E-01 RMM: 3 -0.328173187463E+03 0.56898E-02 -0.11519E-02 6018 0.209E-01 0.155E-01 RMM: 4 -0.328172918365E+03 0.26910E-03 -0.69363E-04 4894 0.560E-02 0.103E-01 RMM: 5 -0.328172854537E+03 0.63828E-04 -0.99505E-05 3698 0.251E-02 0.754E-02 RMM: 6 -0.328172823576E+03 0.30961E-04 -0.26214E-05 2620 0.157E-02 0.425E-02 RMM: 7 -0.328172823242E+03 0.33415E-06 -0.21252E-05 2533 0.136E-02 1455 T= 5834. E= 0.67461711E+03 F= 0.62809617E+03 E0= 0.65669311E+03 EK= 0.47508E+02 SP= -.21E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329494897401E+03 -0.13221E+01 -0.11856E-01 9096 0.228E+01 0.177E-01 RMM: 2 -0.329509921274E+03 -0.15024E-01 -0.12116E-01 5437 0.734E-01 0.784E-01 RMM: 3 -0.329504726403E+03 0.51949E-02 -0.90334E-03 6028 0.187E-01 0.164E-01 RMM: 4 -0.329504471350E+03 0.25505E-03 -0.59438E-04 4712 0.522E-02 0.940E-02 RMM: 5 -0.329504409617E+03 0.61733E-04 -0.86730E-05 3616 0.235E-02 0.702E-02 RMM: 6 -0.329504385574E+03 0.24043E-04 -0.23059E-05 2581 0.148E-02 0.438E-02 RMM: 7 -0.329504383462E+03 0.21114E-05 -0.17040E-05 2514 0.122E-02 1456 T= 5917. E= 0.67461293E+03 F= 0.62676461E+03 E0= 0.65531852E+03 EK= 0.48187E+02 SP= -.13E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330928822077E+03 -0.14244E+01 -0.10986E-01 8888 0.231E+01 0.164E-01 RMM: 2 -0.330941703062E+03 -0.12881E-01 -0.10969E-01 5318 0.716E-01 0.686E-01 RMM: 3 -0.330937809393E+03 0.38937E-02 -0.90666E-03 6129 0.182E-01 0.135E-01 RMM: 4 -0.330937604224E+03 0.20517E-03 -0.49866E-04 4549 0.481E-02 0.103E-01 RMM: 5 -0.330937533764E+03 0.70460E-04 -0.72460E-05 3485 0.235E-02 0.663E-02 RMM: 6 -0.330937513373E+03 0.20391E-04 -0.21123E-05 2553 0.140E-02 0.439E-02 RMM: 7 -0.330937504360E+03 0.90128E-05 -0.21642E-05 2552 0.134E-02 1457 T= 6014. E= 0.67460794E+03 F= 0.62533148E+03 E0= 0.65384550E+03 EK= 0.48976E+02 SP= -.65E+00 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332413303497E+03 -0.14758E+01 -0.10319E-01 8768 0.234E+01 0.157E-01 RMM: 2 -0.332424677990E+03 -0.11374E-01 -0.93041E-02 5337 0.668E-01 0.687E-01 RMM: 3 -0.332420892398E+03 0.37856E-02 -0.77579E-03 6063 0.169E-01 0.143E-01 RMM: 4 -0.332420680330E+03 0.21207E-03 -0.45337E-04 4361 0.479E-02 0.961E-02 RMM: 5 -0.332420612043E+03 0.68287E-04 -0.71383E-05 3444 0.237E-02 0.632E-02 RMM: 6 -0.332420595205E+03 0.16838E-04 -0.20952E-05 2551 0.140E-02 1458 T= 6118. E= 0.67460320E+03 F= 0.62384839E+03 E0= 0.65232664E+03 EK= 0.49822E+02 SP= 0.30E-01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333892401243E+03 -0.14718E+01 -0.10303E-01 8104 0.236E+01 0.167E-01 RMM: 2 -0.333906328866E+03 -0.13928E-01 -0.94837E-02 5201 0.683E-01 0.901E-01 RMM: 3 -0.333900439935E+03 0.58889E-02 -0.91090E-03 5729 0.189E-01 0.183E-01 RMM: 4 -0.333900149862E+03 0.29007E-03 -0.60233E-04 4705 0.518E-02 0.791E-02 RMM: 5 -0.333900104070E+03 0.45792E-04 -0.67074E-05 3471 0.219E-02 0.647E-02 RMM: 6 -0.333900091548E+03 0.12522E-04 -0.19062E-05 2517 0.132E-02 1459 T= 6222. E= 0.67459874E+03 F= 0.62236890E+03 E0= 0.65081573E+03 EK= 0.50668E+02 SP= 0.69E+00 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335317151714E+03 -0.14170E+01 -0.10141E-01 7984 0.238E+01 0.301E-01 RMM: 2 -0.335343332074E+03 -0.26180E-01 -0.77346E-02 5253 0.677E-01 0.173E+00 RMM: 3 -0.335322816693E+03 0.20515E-01 -0.11196E-02 5359 0.258E-01 0.300E-01 RMM: 4 -0.335322151190E+03 0.66550E-03 -0.13484E-03 4664 0.767E-02 0.813E-02 RMM: 5 -0.335322120084E+03 0.31106E-04 -0.15097E-04 3940 0.295E-02 0.816E-02 RMM: 6 -0.335322084081E+03 0.36002E-04 -0.26061E-05 2598 0.161E-02 0.497E-02 RMM: 7 -0.335322088727E+03 -0.46463E-05 -0.20798E-05 2541 0.142E-02 1460 T= 6319. E= 0.67459446E+03 F= 0.62094690E+03 E0= 0.64936623E+03 EK= 0.51457E+02 SP= 0.13E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336625582310E+03 -0.13035E+01 -0.10549E-01 7616 0.240E+01 0.235E-01 RMM: 2 -0.336641653531E+03 -0.16071E-01 -0.90433E-02 4906 0.717E-01 0.111E+00 RMM: 3 -0.336633077403E+03 0.85761E-02 -0.11200E-02 5441 0.233E-01 0.247E-01 RMM: 4 -0.336632699145E+03 0.37826E-03 -0.11733E-03 4712 0.736E-02 0.117E-01 RMM: 5 -0.336632651157E+03 0.47988E-04 -0.18037E-04 3868 0.346E-02 0.945E-02 RMM: 6 -0.336632591608E+03 0.59549E-04 -0.44355E-05 3116 0.201E-02 0.291E-02 RMM: 7 -0.336632595266E+03 -0.36580E-05 -0.16183E-05 2497 0.127E-02 1461 T= 6402. E= 0.67459038E+03 F= 0.61963639E+03 E0= 0.64803160E+03 EK= 0.52132E+02 SP= 0.20E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337774445849E+03 -0.11419E+01 -0.10021E-01 7688 0.241E+01 0.196E-01 RMM: 2 -0.337787900288E+03 -0.13454E-01 -0.75365E-02 4992 0.668E-01 0.105E+00 RMM: 3 -0.337780585202E+03 0.73151E-02 -0.85807E-03 5528 0.198E-01 0.167E-01 RMM: 4 -0.337780380516E+03 0.20469E-03 -0.65781E-04 4730 0.540E-02 0.892E-02 RMM: 5 -0.337780330014E+03 0.50502E-04 -0.93460E-05 3711 0.265E-02 0.679E-02 RMM: 6 -0.337780303171E+03 0.26843E-04 -0.25416E-05 2599 0.154E-02 0.371E-02 RMM: 7 -0.337780300676E+03 0.24942E-05 -0.15504E-05 2491 0.118E-02 1462 T= 6464. E= 0.67458708E+03 F= 0.61848869E+03 E0= 0.64686148E+03 EK= 0.52641E+02 SP= 0.26E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338716236916E+03 -0.93593E+00 -0.10257E-01 7912 0.242E+01 0.153E-01 RMM: 2 -0.338725764807E+03 -0.95279E-02 -0.65247E-02 4898 0.625E-01 0.763E-01 RMM: 3 -0.338721838499E+03 0.39263E-02 -0.74504E-03 5639 0.176E-01 0.146E-01 RMM: 4 -0.338721656539E+03 0.18196E-03 -0.46118E-04 4534 0.489E-02 0.716E-02 RMM: 5 -0.338721620641E+03 0.35898E-04 -0.66122E-05 3439 0.235E-02 0.529E-02 RMM: 6 -0.338721608186E+03 0.12455E-04 -0.19442E-05 2519 0.132E-02 1463 T= 6501. E= 0.67458457E+03 F= 0.61754738E+03 E0= 0.64589959E+03 EK= 0.52941E+02 SP= 0.33E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339414630136E+03 -0.69301E+00 -0.10753E-01 7656 0.242E+01 0.163E-01 RMM: 2 -0.339427134002E+03 -0.12504E-01 -0.91086E-02 4823 0.721E-01 0.809E-01 RMM: 3 -0.339422649665E+03 0.44843E-02 -0.10719E-02 5665 0.204E-01 0.161E-01 RMM: 4 -0.339422417305E+03 0.23236E-03 -0.62406E-04 4728 0.546E-02 0.831E-02 RMM: 5 -0.339422362542E+03 0.54762E-04 -0.84060E-05 3665 0.257E-02 0.602E-02 RMM: 6 -0.339422346303E+03 0.16240E-04 -0.22494E-05 2526 0.142E-02 1464 T= 6508. E= 0.67458329E+03 F= 0.61684664E+03 E0= 0.64517941E+03 EK= 0.53000E+02 SP= 0.39E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339858410760E+03 -0.43605E+00 -0.10762E-01 8016 0.241E+01 0.242E-01 RMM: 2 -0.339877221087E+03 -0.18810E-01 -0.74804E-02 4997 0.679E-01 0.136E+00 RMM: 3 -0.339864481448E+03 0.12740E-01 -0.10111E-02 5400 0.232E-01 0.248E-01 RMM: 4 -0.339864023175E+03 0.45827E-03 -0.10206E-03 4648 0.675E-02 0.699E-02 RMM: 5 -0.339863995810E+03 0.27365E-04 -0.11376E-04 4081 0.262E-02 0.664E-02 RMM: 6 -0.339863976230E+03 0.19580E-04 -0.19503E-05 2537 0.133E-02 1465 T= 6484. E= 0.67458371E+03 F= 0.61640501E+03 E0= 0.64471991E+03 EK= 0.52802E+02 SP= 0.46E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340041207571E+03 -0.17721E+00 -0.11387E-01 8008 0.240E+01 0.283E-01 RMM: 2 -0.340067044766E+03 -0.25837E-01 -0.10456E-01 4856 0.782E-01 0.159E+00 RMM: 3 -0.340049767703E+03 0.17277E-01 -0.14418E-02 5411 0.276E-01 0.298E-01 RMM: 4 -0.340049135397E+03 0.63231E-03 -0.14943E-03 4849 0.800E-02 0.843E-02 RMM: 5 -0.340049123905E+03 0.11492E-04 -0.17489E-04 3973 0.310E-02 1466 T= 6429. E= 0.67458659E+03 F= 0.61621987E+03 E0= 0.64451803E+03 EK= 0.52355E+02 SP= 0.52E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339995123949E+03 0.54011E-01 -0.10571E-01 8432 0.238E+01 0.179E-01 RMM: 2 -0.340009811675E+03 -0.14688E-01 -0.81624E-02 5071 0.648E-01 0.103E+00 RMM: 3 -0.340002113779E+03 0.76979E-02 -0.91745E-03 5440 0.210E-01 0.196E-01 RMM: 4 -0.340001847242E+03 0.26654E-03 -0.78759E-04 4811 0.570E-02 0.852E-02 RMM: 5 -0.340001807192E+03 0.40050E-04 -0.77545E-05 3579 0.238E-02 0.685E-02 RMM: 6 -0.340001791469E+03 0.15723E-04 -0.19922E-05 2523 0.132E-02 1467 T= 6347. E= 0.67459040E+03 F= 0.61626720E+03 E0= 0.64454960E+03 EK= 0.51685E+02 SP= 0.58E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339754510071E+03 0.24730E+00 -0.10797E-01 8248 0.236E+01 0.208E-01 RMM: 2 -0.339771533613E+03 -0.17024E-01 -0.87763E-02 4907 0.684E-01 0.117E+00 RMM: 3 -0.339761850591E+03 0.96830E-02 -0.10586E-02 5456 0.225E-01 0.205E-01 RMM: 4 -0.339761539275E+03 0.31132E-03 -0.92156E-04 4770 0.625E-02 0.774E-02 RMM: 5 -0.339761510442E+03 0.28833E-04 -0.10258E-04 3774 0.260E-02 0.660E-02 RMM: 6 -0.339761486890E+03 0.23553E-04 -0.21815E-05 2564 0.138E-02 0.417E-02 RMM: 7 -0.339761492288E+03 -0.53982E-05 -0.16544E-05 2513 0.129E-02 1468 T= 6243. E= 0.67459364E+03 F= 0.61650750E+03 E0= 0.64477540E+03 EK= 0.50837E+02 SP= 0.65E+01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339369578310E+03 0.39191E+00 -0.10945E-01 8520 0.233E+01 0.295E-01 RMM: 2 -0.339394292171E+03 -0.24714E-01 -0.10220E-01 4888 0.750E-01 0.154E+00 RMM: 3 -0.339377691621E+03 0.16601E-01 -0.13793E-02 5414 0.268E-01 0.300E-01 RMM: 4 -0.339377067804E+03 0.62382E-03 -0.14789E-03 4737 0.806E-02 0.100E-01 RMM: 5 -0.339377103121E+03 -0.35316E-04 -0.23234E-04 3894 0.391E-02 0.128E-01 RMM: 6 -0.339376993649E+03 0.10947E-03 -0.69598E-05 3429 0.244E-02 0.338E-02 RMM: 7 -0.339376990596E+03 0.30537E-05 -0.15198E-05 2515 0.120E-02 1469 T= 6123. E= 0.67459720E+03 F= 0.61689200E+03 E0= 0.64514579E+03 EK= 0.49865E+02 SP= 0.71E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338892603132E+03 0.48439E+00 -0.11791E-01 8336 0.231E+01 0.200E-01 RMM: 2 -0.338910361889E+03 -0.17759E-01 -0.11568E-01 4891 0.773E-01 0.104E+00 RMM: 3 -0.338902436227E+03 0.79257E-02 -0.12762E-02 5630 0.231E-01 0.188E-01 RMM: 4 -0.338902089848E+03 0.34638E-03 -0.83238E-04 4930 0.598E-02 0.747E-02 RMM: 5 -0.338902058795E+03 0.31053E-04 -0.10059E-04 3718 0.273E-02 0.661E-02 RMM: 6 -0.338902031946E+03 0.26850E-04 -0.23454E-05 2570 0.144E-02 0.397E-02 RMM: 7 -0.338902032422E+03 -0.47651E-06 -0.17521E-05 2515 0.127E-02 1470 T= 5996. E= 0.67460118E+03 F= 0.61736696E+03 E0= 0.64560732E+03 EK= 0.48828E+02 SP= 0.77E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338386664460E+03 0.51537E+00 -0.11478E-01 8280 0.229E+01 0.168E-01 RMM: 2 -0.338399929669E+03 -0.13265E-01 -0.10636E-01 5010 0.732E-01 0.743E-01 RMM: 3 -0.338395650089E+03 0.42796E-02 -0.10774E-02 5893 0.202E-01 0.173E-01 RMM: 4 -0.338395324378E+03 0.32571E-03 -0.59442E-04 4724 0.538E-02 0.707E-02 RMM: 5 -0.338395299929E+03 0.24449E-04 -0.78321E-05 3552 0.244E-02 0.605E-02 RMM: 6 -0.338395279932E+03 0.19997E-04 -0.20989E-05 2555 0.141E-02 1471 T= 5868. E= 0.67460486E+03 F= 0.61787371E+03 E0= 0.64610015E+03 EK= 0.47788E+02 SP= 0.83E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337906210480E+03 0.48909E+00 -0.11516E-01 8256 0.226E+01 0.172E-01 RMM: 2 -0.337922408899E+03 -0.16198E-01 -0.12611E-01 5091 0.779E-01 0.833E-01 RMM: 3 -0.337916993449E+03 0.54154E-02 -0.12652E-02 5938 0.209E-01 0.179E-01 RMM: 4 -0.337916593485E+03 0.39996E-03 -0.64276E-04 4736 0.558E-02 0.747E-02 RMM: 5 -0.337916554160E+03 0.39325E-04 -0.75211E-05 3609 0.223E-02 0.641E-02 RMM: 6 -0.337916538463E+03 0.15697E-04 -0.19719E-05 2528 0.135E-02 1472 T= 5748. E= 0.67460870E+03 F= 0.61835245E+03 E0= 0.64656471E+03 EK= 0.46809E+02 SP= 0.88E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337519511223E+03 0.39704E+00 -0.10571E-01 8480 0.224E+01 0.298E-01 RMM: 2 -0.337549257627E+03 -0.29746E-01 -0.10923E-01 5034 0.767E-01 0.174E+00 RMM: 3 -0.337528081912E+03 0.21176E-01 -0.14225E-02 5407 0.276E-01 0.297E-01 RMM: 4 -0.337527414388E+03 0.66752E-03 -0.14846E-03 4788 0.791E-02 0.772E-02 RMM: 5 -0.337527396487E+03 0.17901E-04 -0.16078E-04 4038 0.298E-02 1473 T= 5643. E= 0.67461366E+03 F= 0.61874159E+03 E0= 0.64693927E+03 EK= 0.45957E+02 SP= 0.94E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337279921141E+03 0.24749E+00 -0.10820E-01 8168 0.222E+01 0.222E-01 RMM: 2 -0.337302106351E+03 -0.22185E-01 -0.12440E-01 5065 0.786E-01 0.125E+00 RMM: 3 -0.337290663219E+03 0.11443E-01 -0.13814E-02 5518 0.243E-01 0.239E-01 RMM: 4 -0.337290176617E+03 0.48660E-03 -0.11114E-03 4777 0.700E-02 0.961E-02 RMM: 5 -0.337290135410E+03 0.41206E-04 -0.13189E-04 4124 0.272E-02 0.831E-02 RMM: 6 -0.337290103489E+03 0.31922E-04 -0.24528E-05 2575 0.148E-02 0.612E-02 RMM: 7 -0.337290136076E+03 -0.32587E-04 -0.67414E-05 3467 0.208E-02 0.104E-01 RMM: 8 -0.337290067371E+03 0.68705E-04 -0.12409E-04 3888 0.266E-02 0.292E-02 RMM: 9 -0.337290066720E+03 0.65100E-06 -0.16378E-05 2528 0.115E-02 1474 T= 5562. E= 0.67461868E+03 F= 0.61897892E+03 E0= 0.64716198E+03 EK= 0.45291E+02 SP= 0.99E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337256296395E+03 0.33771E-01 -0.10772E-01 7760 0.221E+01 0.260E-01 RMM: 2 -0.337274516368E+03 -0.18220E-01 -0.13053E-01 4784 0.839E-01 0.104E+00 RMM: 3 -0.337267114641E+03 0.74017E-02 -0.15372E-02 5824 0.237E-01 0.196E-01 RMM: 4 -0.337266992683E+03 0.12196E-03 -0.12315E-03 4759 0.824E-02 0.233E-01 RMM: 5 -0.337266654670E+03 0.33801E-03 -0.25226E-04 3899 0.405E-02 0.840E-02 RMM: 6 -0.337266616888E+03 0.37782E-04 -0.54096E-05 3285 0.217E-02 0.374E-02 RMM: 7 -0.337266635841E+03 -0.18953E-04 -0.22363E-05 2567 0.142E-02 1475 T= 5510. E= 0.67462184E+03 F= 0.61900235E+03 E0= 0.64717263E+03 EK= 0.44874E+02 SP= 0.10E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337497645888E+03 -0.23103E+00 -0.10384E-01 7960 0.220E+01 0.154E-01 RMM: 2 -0.337511868322E+03 -0.14222E-01 -0.11676E-01 4961 0.772E-01 0.718E-01 RMM: 3 -0.337508031972E+03 0.38363E-02 -0.12979E-02 6085 0.202E-01 0.154E-01 RMM: 4 -0.337507652397E+03 0.37958E-03 -0.54882E-04 4559 0.549E-02 0.741E-02 RMM: 5 -0.337507606286E+03 0.46111E-04 -0.68388E-05 3471 0.227E-02 0.567E-02 RMM: 6 -0.337507597952E+03 0.83347E-05 -0.20897E-05 2523 0.138E-02 1476 T= 5496. E= 0.67462401E+03 F= 0.61876139E+03 E0= 0.64692157E+03 EK= 0.44755E+02 SP= 0.11E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338032726395E+03 -0.52512E+00 -0.10058E-01 7648 0.219E+01 0.232E-01 RMM: 2 -0.338052661569E+03 -0.19935E-01 -0.11628E-01 4827 0.780E-01 0.119E+00 RMM: 3 -0.338042666599E+03 0.99950E-02 -0.14228E-02 5509 0.247E-01 0.205E-01 RMM: 4 -0.338042308464E+03 0.35814E-03 -0.11067E-03 5163 0.635E-02 0.796E-02 RMM: 5 -0.338042267563E+03 0.40900E-04 -0.10712E-04 3809 0.282E-02 0.683E-02 RMM: 6 -0.338042243570E+03 0.23994E-04 -0.24841E-05 2583 0.149E-02 0.481E-02 RMM: 7 -0.338042257498E+03 -0.13928E-04 -0.31490E-05 2748 0.169E-02 1477 T= 5521. E= 0.67462317E+03 F= 0.61822673E+03 E0= 0.64638066E+03 EK= 0.44958E+02 SP= 0.11E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338860192386E+03 -0.81795E+00 -0.92364E-02 7552 0.220E+01 0.247E-01 RMM: 2 -0.338878335229E+03 -0.18143E-01 -0.85225E-02 4863 0.694E-01 0.128E+00 RMM: 3 -0.338867074307E+03 0.11261E-01 -0.11022E-02 5466 0.232E-01 0.231E-01 RMM: 4 -0.338866724469E+03 0.34984E-03 -0.11469E-03 4683 0.727E-02 0.124E-01 RMM: 5 -0.338866691824E+03 0.32645E-04 -0.17797E-04 3874 0.352E-02 0.104E-01 RMM: 6 -0.338866616305E+03 0.75520E-04 -0.48077E-05 3176 0.210E-02 0.276E-02 RMM: 7 -0.338866616937E+03 -0.63181E-06 -0.14169E-05 2499 0.115E-02 1478 T= 5585. E= 0.67461990E+03 F= 0.61740237E+03 E0= 0.64555612E+03 EK= 0.45478E+02 SP= 0.12E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339929799146E+03 -0.10632E+01 -0.95211E-02 7744 0.220E+01 0.193E-01 RMM: 2 -0.339943816934E+03 -0.14018E-01 -0.89210E-02 4777 0.715E-01 0.949E-01 RMM: 3 -0.339937463265E+03 0.63537E-02 -0.10934E-02 5613 0.212E-01 0.170E-01 RMM: 4 -0.339937181722E+03 0.28154E-03 -0.71994E-04 4820 0.572E-02 0.755E-02 RMM: 5 -0.339937155568E+03 0.26154E-04 -0.95562E-05 3719 0.266E-02 0.669E-02 RMM: 6 -0.339937129558E+03 0.26011E-04 -0.25187E-05 2576 0.152E-02 0.371E-02 RMM: 7 -0.339937134634E+03 -0.50767E-05 -0.16218E-05 2505 0.123E-02 1479 T= 5682. E= 0.67461432E+03 F= 0.61633185E+03 E0= 0.64449092E+03 EK= 0.46269E+02 SP= 0.12E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341167358745E+03 -0.12302E+01 -0.95719E-02 7648 0.222E+01 0.157E-01 RMM: 2 -0.341178022273E+03 -0.10664E-01 -0.84329E-02 4748 0.698E-01 0.686E-01 RMM: 3 -0.341174724023E+03 0.32982E-02 -0.10163E-02 5856 0.192E-01 0.146E-01 RMM: 4 -0.341174467469E+03 0.25655E-03 -0.53315E-04 4717 0.528E-02 0.828E-02 RMM: 5 -0.341174430848E+03 0.36621E-04 -0.78542E-05 3537 0.263E-02 0.547E-02 RMM: 6 -0.341174415277E+03 0.15572E-04 -0.20977E-05 2530 0.139E-02 1480 T= 5802. E= 0.67460668E+03 F= 0.61509457E+03 E0= 0.64326512E+03 EK= 0.47246E+02 SP= 0.12E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342465434196E+03 -0.12910E+01 -0.94094E-02 7824 0.225E+01 0.151E-01 RMM: 2 -0.342475640706E+03 -0.10207E-01 -0.77463E-02 4772 0.663E-01 0.688E-01 RMM: 3 -0.342472251113E+03 0.33896E-02 -0.93122E-03 5771 0.187E-01 0.148E-01 RMM: 4 -0.342472014724E+03 0.23639E-03 -0.49721E-04 4629 0.510E-02 0.814E-02 RMM: 5 -0.342471972392E+03 0.42332E-04 -0.64985E-05 3397 0.241E-02 0.587E-02 RMM: 6 -0.342471958123E+03 0.14270E-04 -0.20420E-05 2512 0.136E-02 1481 T= 5931. E= 0.67459814E+03 F= 0.61379703E+03 E0= 0.64198515E+03 EK= 0.48301E+02 SP= 0.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343702304218E+03 -0.12303E+01 -0.93403E-02 7936 0.227E+01 0.252E-01 RMM: 2 -0.343721606239E+03 -0.19302E-01 -0.72519E-02 4819 0.662E-01 0.141E+00 RMM: 3 -0.343708037681E+03 0.13569E-01 -0.10637E-02 5395 0.243E-01 0.248E-01 RMM: 4 -0.343707596028E+03 0.44165E-03 -0.10742E-03 4682 0.676E-02 0.745E-02 RMM: 5 -0.343707571972E+03 0.24056E-04 -0.12280E-04 3918 0.289E-02 0.714E-02 RMM: 6 -0.343707544992E+03 0.26980E-04 -0.25059E-05 2563 0.150E-02 0.458E-02 RMM: 7 -0.343707548577E+03 -0.35851E-05 -0.19406E-05 2516 0.143E-02 1482 T= 6055. E= 0.67458950E+03 F= 0.61256144E+03 E0= 0.64077348E+03 EK= 0.49309E+02 SP= 0.13E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344753215728E+03 -0.10457E+01 -0.95138E-02 7936 0.230E+01 0.222E-01 RMM: 2 -0.344768855357E+03 -0.15640E-01 -0.75247E-02 4750 0.653E-01 0.118E+00 RMM: 3 -0.344759357902E+03 0.94975E-02 -0.10290E-02 5411 0.231E-01 0.211E-01 RMM: 4 -0.344759124473E+03 0.23343E-03 -0.10361E-03 4646 0.689E-02 0.122E-01 RMM: 5 -0.344759075254E+03 0.49219E-04 -0.16417E-04 3871 0.348E-02 0.992E-02 RMM: 6 -0.344759010822E+03 0.64432E-04 -0.44069E-05 3074 0.203E-02 0.293E-02 RMM: 7 -0.344759013370E+03 -0.25476E-05 -0.16216E-05 2503 0.129E-02 1483 T= 6158. E= 0.67458198E+03 F= 0.61150998E+03 E0= 0.63975086E+03 EK= 0.50146E+02 SP= 0.13E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345510955502E+03 -0.75194E+00 -0.99761E-02 8168 0.231E+01 0.178E-01 RMM: 2 -0.345524454706E+03 -0.13499E-01 -0.87766E-02 4768 0.691E-01 0.915E-01 RMM: 3 -0.345518503719E+03 0.59510E-02 -0.10359E-02 5636 0.205E-01 0.179E-01 RMM: 4 -0.345518210310E+03 0.29341E-03 -0.69296E-04 4720 0.580E-02 0.841E-02 RMM: 5 -0.345518164847E+03 0.45463E-04 -0.96401E-05 3719 0.274E-02 0.628E-02 RMM: 6 -0.345518143502E+03 0.21344E-04 -0.24632E-05 2559 0.148E-02 0.424E-02 RMM: 7 -0.345518140099E+03 0.34031E-05 -0.18022E-05 2515 0.132E-02 1484 T= 6226. E= 0.67457654E+03 F= 0.61075085E+03 E0= 0.63902468E+03 EK= 0.50702E+02 SP= 0.13E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345896077924E+03 -0.37793E+00 -0.10829E-01 7880 0.232E+01 0.134E-01 RMM: 2 -0.345907467734E+03 -0.11390E-01 -0.99868E-02 4724 0.737E-01 0.582E-01 RMM: 3 -0.345904952969E+03 0.25148E-02 -0.11698E-02 6066 0.194E-01 0.113E-01 RMM: 4 -0.345904698919E+03 0.25405E-03 -0.46945E-04 4793 0.506E-02 0.874E-02 RMM: 5 -0.345904647723E+03 0.51196E-04 -0.63780E-05 3335 0.259E-02 0.488E-02 RMM: 6 -0.345904639246E+03 0.84767E-05 -0.20231E-05 2519 0.134E-02 1485 T= 6250. E= 0.67457381E+03 F= 0.61036435E+03 E0= 0.63867427E+03 EK= 0.50897E+02 SP= 0.13E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345866994990E+03 0.37653E-01 -0.11045E-01 7832 0.232E+01 0.136E-01 RMM: 2 -0.345880143431E+03 -0.13148E-01 -0.10909E-01 4742 0.760E-01 0.663E-01 RMM: 3 -0.345876770972E+03 0.33725E-02 -0.12670E-02 5984 0.203E-01 0.136E-01 RMM: 4 -0.345876471612E+03 0.29936E-03 -0.55523E-04 4687 0.548E-02 0.859E-02 RMM: 5 -0.345876420288E+03 0.51323E-04 -0.77411E-05 3504 0.267E-02 0.494E-02 RMM: 6 -0.345876410922E+03 0.93664E-05 -0.21043E-05 2518 0.134E-02 1486 T= 6225. E= 0.67457425E+03 F= 0.61039258E+03 E0= 0.63874063E+03 EK= 0.50690E+02 SP= 0.13E+02 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345425866120E+03 0.45055E+00 -0.10931E-01 7984 0.231E+01 0.223E-01 RMM: 2 -0.345446040218E+03 -0.20174E-01 -0.99601E-02 4779 0.744E-01 0.130E+00 RMM: 3 -0.345434145521E+03 0.11895E-01 -0.12014E-02 5500 0.232E-01 0.191E-01 RMM: 4 -0.345433818196E+03 0.32733E-03 -0.99305E-04 4792 0.648E-02 0.705E-02 RMM: 5 -0.345433790978E+03 0.27218E-04 -0.11464E-04 4132 0.265E-02 0.606E-02 RMM: 6 -0.345433774129E+03 0.16849E-04 -0.20449E-05 2539 0.131E-02 1487 T= 6150. E= 0.67457777E+03 F= 0.61083522E+03 E0= 0.63922236E+03 EK= 0.50082E+02 SP= 0.14E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344609584630E+03 0.82421E+00 -0.11672E-01 7880 0.229E+01 0.267E-01 RMM: 2 -0.344635484188E+03 -0.25900E-01 -0.11803E-01 4727 0.805E-01 0.152E+00 RMM: 3 -0.344619376471E+03 0.16108E-01 -0.15248E-02 5445 0.271E-01 0.269E-01 RMM: 4 -0.344618822976E+03 0.55350E-03 -0.14391E-03 4900 0.762E-02 0.765E-02 RMM: 5 -0.344618813108E+03 0.98674E-05 -0.17374E-04 3952 0.318E-02 1488 T= 6032. E= 0.67458482E+03 F= 0.61165018E+03 E0= 0.64007694E+03 EK= 0.49121E+02 SP= 0.14E+02 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.343502416790E+03 0.11164E+01 -0.11659E-01 8024 0.227E+01 0.186E-01 RMM: 2 -0.343521446984E+03 -0.19030E-01 -0.10849E-01 4880 0.750E-01 0.115E+00 RMM: 3 -0.343511934337E+03 0.95126E-02 -0.12446E-02 5554 0.228E-01 0.180E-01 RMM: 4 -0.343511632326E+03 0.30201E-03 -0.93341E-04 4951 0.610E-02 0.817E-02 RMM: 5 -0.343511595643E+03 0.36682E-04 -0.96097E-05 3852 0.260E-02 0.648E-02 RMM: 6 -0.343511578673E+03 0.16970E-04 -0.22066E-05 2528 0.139E-02 1489 T= 5881. E= 0.67459388E+03 F= 0.61275741E+03 E0= 0.64122386E+03 EK= 0.47890E+02 SP= 0.14E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342212607800E+03 0.12990E+01 -0.10827E-01 8024 0.223E+01 0.165E-01 RMM: 2 -0.342225962035E+03 -0.13354E-01 -0.98073E-02 4826 0.708E-01 0.806E-01 RMM: 3 -0.342221255690E+03 0.47063E-02 -0.11071E-02 5754 0.202E-01 0.177E-01 RMM: 4 -0.342220929360E+03 0.32633E-03 -0.70846E-04 4671 0.581E-02 0.874E-02 RMM: 5 -0.342220889643E+03 0.39717E-04 -0.95089E-05 3670 0.261E-02 0.570E-02 RMM: 6 -0.342220873350E+03 0.16293E-04 -0.20481E-05 2536 0.133E-02 1490 T= 5710. E= 0.67460375E+03 F= 0.61404812E+03 E0= 0.64255419E+03 EK= 0.46500E+02 SP= 0.14E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340864414947E+03 0.13565E+01 -0.10175E-01 8064 0.220E+01 0.303E-01 RMM: 2 -0.340893288359E+03 -0.28873E-01 -0.10038E-01 4935 0.746E-01 0.176E+00 RMM: 3 -0.340872195387E+03 0.21093E-01 -0.14155E-02 5417 0.274E-01 0.276E-01 RMM: 4 -0.340871617956E+03 0.57743E-03 -0.14900E-03 4802 0.766E-02 0.799E-02 RMM: 5 -0.340871606125E+03 0.11832E-04 -0.16383E-04 3895 0.313E-02 1491 T= 5536. E= 0.67461402E+03 F= 0.61539738E+03 E0= 0.64394251E+03 EK= 0.45082E+02 SP= 0.14E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339581397675E+03 0.12902E+01 -0.10097E-01 8416 0.216E+01 0.147E-01 RMM: 2 -0.339593769936E+03 -0.12372E-01 -0.84441E-02 5029 0.649E-01 0.807E-01 RMM: 3 -0.339588853306E+03 0.49166E-02 -0.90120E-03 5610 0.189E-01 0.175E-01 RMM: 4 -0.339588582270E+03 0.27104E-03 -0.61993E-04 4605 0.528E-02 0.761E-02 RMM: 5 -0.339588546584E+03 0.35685E-04 -0.69670E-05 3524 0.224E-02 0.573E-02 RMM: 6 -0.339588536988E+03 0.95967E-05 -0.18777E-05 2518 0.129E-02 1492 T= 5374. E= 0.67462345E+03 F= 0.61668045E+03 E0= 0.64526403E+03 EK= 0.43762E+02 SP= 0.14E+02 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338477754290E+03 0.11108E+01 -0.98071E-02 7840 0.214E+01 0.192E-01 RMM: 2 -0.338493813622E+03 -0.16059E-01 -0.88767E-02 4816 0.682E-01 0.110E+00 RMM: 3 -0.338485271832E+03 0.85418E-02 -0.10429E-02 5569 0.210E-01 0.177E-01 RMM: 4 -0.338485006993E+03 0.26484E-03 -0.81231E-04 4807 0.581E-02 0.824E-02 RMM: 5 -0.338484972709E+03 0.34284E-04 -0.96713E-05 3773 0.256E-02 0.585E-02 RMM: 6 -0.338484953879E+03 0.18830E-04 -0.19419E-05 2541 0.131E-02 1493 T= 5238. E= 0.67463051E+03 F= 0.61778404E+03 E0= 0.64640355E+03 EK= 0.42656E+02 SP= 0.14E+02 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.337642630807E+03 0.84234E+00 -0.96366E-02 8176 0.212E+01 0.246E-01 RMM: 2 -0.337661860136E+03 -0.19229E-01 -0.87303E-02 4921 0.694E-01 0.133E+00 RMM: 3 -0.337649842897E+03 0.12017E-01 -0.11583E-02 5451 0.237E-01 0.254E-01 RMM: 4 -0.337649344759E+03 0.49814E-03 -0.11338E-03 4757 0.680E-02 0.721E-02 RMM: 5 -0.337649321355E+03 0.23404E-04 -0.12923E-04 3934 0.275E-02 0.654E-02 RMM: 6 -0.337649294517E+03 0.26838E-04 -0.21401E-05 2568 0.135E-02 0.382E-02 RMM: 7 -0.337649293294E+03 0.12236E-05 -0.11640E-05 2486 0.112E-02 1494 T= 5140. E= 0.67463502E+03 F= 0.61861970E+03 E0= 0.64727211E+03 EK= 0.41854E+02 SP= 0.14E+02 SK= 0.79E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337127899143E+03 0.52140E+00 -0.90670E-02 8088 0.211E+01 0.151E-01 RMM: 2 -0.337138942993E+03 -0.11044E-01 -0.79726E-02 4986 0.629E-01 0.751E-01 RMM: 3 -0.337134899684E+03 0.40433E-02 -0.91967E-03 5699 0.175E-01 0.154E-01 RMM: 4 -0.337134644079E+03 0.25560E-03 -0.57292E-04 4482 0.524E-02 0.781E-02 RMM: 5 -0.337134626059E+03 0.18020E-04 -0.77673E-05 3519 0.238E-02 1495 T= 5085. E= 0.67463685E+03 F= 0.61913436E+03 E0= 0.64781581E+03 EK= 0.41411E+02 SP= 0.14E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336946319658E+03 0.18832E+00 -0.89043E-02 8056 0.211E+01 0.138E-01 RMM: 2 -0.336957233974E+03 -0.10914E-01 -0.80594E-02 4923 0.641E-01 0.736E-01 RMM: 3 -0.336953431880E+03 0.38021E-02 -0.92631E-03 5833 0.176E-01 0.126E-01 RMM: 4 -0.336953196765E+03 0.23511E-03 -0.45031E-04 4853 0.444E-02 0.678E-02 RMM: 5 -0.336953163838E+03 0.32928E-04 -0.44836E-05 2830 0.199E-02 0.515E-02 RMM: 6 -0.336953155961E+03 0.78765E-05 -0.18288E-05 2501 0.132E-02 1496 T= 5076. E= 0.67463559E+03 F= 0.61931583E+03 E0= 0.64802027E+03 EK= 0.41340E+02 SP= 0.14E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337071067965E+03 -0.11790E+00 -0.88097E-02 7800 0.212E+01 0.194E-01 RMM: 2 -0.337086557477E+03 -0.15490E-01 -0.72468E-02 4847 0.616E-01 0.115E+00 RMM: 3 -0.337077075852E+03 0.94816E-02 -0.89301E-03 5467 0.201E-01 0.163E-01 RMM: 4 -0.337076862017E+03 0.21383E-03 -0.79388E-04 4838 0.547E-02 0.655E-02 RMM: 5 -0.337076842118E+03 0.19900E-04 -0.77669E-05 3639 0.231E-02 1497 T= 5110. E= 0.67463191E+03 F= 0.61919215E+03 E0= 0.64791348E+03 EK= 0.41615E+02 SP= 0.14E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337440042633E+03 -0.36318E+00 -0.88231E-02 7800 0.214E+01 0.182E-01 RMM: 2 -0.337453328056E+03 -0.13285E-01 -0.64397E-02 4997 0.592E-01 0.108E+00 RMM: 3 -0.337445293182E+03 0.80349E-02 -0.77526E-03 5478 0.191E-01 0.179E-01 RMM: 4 -0.337445051391E+03 0.24179E-03 -0.69279E-04 4704 0.546E-02 0.762E-02 RMM: 5 -0.337445021731E+03 0.29660E-04 -0.81875E-05 3726 0.231E-02 0.644E-02 RMM: 6 -0.337444998931E+03 0.22801E-04 -0.19447E-05 2543 0.134E-02 0.396E-02 RMM: 7 -0.337444999977E+03 -0.10459E-05 -0.17068E-05 2505 0.126E-02 1498 T= 5179. E= 0.67462631E+03 F= 0.61882399E+03 E0= 0.64755488E+03 EK= 0.42176E+02 SP= 0.13E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337967226016E+03 -0.52223E+00 -0.99709E-02 7728 0.216E+01 0.151E-01 RMM: 2 -0.337978726309E+03 -0.11500E-01 -0.90292E-02 4722 0.705E-01 0.705E-01 RMM: 3 -0.337975130258E+03 0.35961E-02 -0.10574E-02 5914 0.186E-01 0.138E-01 RMM: 4 -0.337974887125E+03 0.24313E-03 -0.55757E-04 4674 0.546E-02 0.965E-02 RMM: 5 -0.337974843840E+03 0.43284E-04 -0.88123E-05 3600 0.262E-02 0.630E-02 RMM: 6 -0.337974819065E+03 0.24776E-04 -0.23929E-05 2560 0.151E-02 0.210E-02 RMM: 7 -0.337974821924E+03 -0.28591E-05 -0.10299E-05 2475 0.105E-02 1499 T= 5273. E= 0.67461986E+03 F= 0.61829417E+03 E0= 0.64702870E+03 EK= 0.42942E+02 SP= 0.13E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338569685779E+03 -0.59487E+00 -0.92264E-02 7912 0.218E+01 0.150E-01 RMM: 2 -0.338578965688E+03 -0.92799E-02 -0.62082E-02 5082 0.585E-01 0.777E-01 RMM: 3 -0.338574768859E+03 0.41968E-02 -0.66421E-03 5771 0.157E-01 0.123E-01 RMM: 4 -0.338574621115E+03 0.14774E-03 -0.41590E-04 4288 0.465E-02 0.897E-02 RMM: 5 -0.338574559544E+03 0.61571E-04 -0.65150E-05 3402 0.233E-02 0.476E-02 RMM: 6 -0.338574548409E+03 0.11135E-04 -0.17069E-05 2510 0.120E-02 1500 T= 5381. E= 0.67461393E+03 F= 0.61769444E+03 E0= 0.64642582E+03 EK= 0.43821E+02 SP= 0.13E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339150918854E+03 -0.57636E+00 -0.92120E-02 7832 0.221E+01 0.125E-01 RMM: 2 -0.339159605208E+03 -0.86864E-02 -0.69092E-02 4925 0.602E-01 0.617E-01 RMM: 3 -0.339156857327E+03 0.27479E-02 -0.76958E-03 5822 0.162E-01 0.110E-01 RMM: 4 -0.339156686207E+03 0.17112E-03 -0.37649E-04 4679 0.415E-02 0.662E-02 RMM: 5 -0.339156654310E+03 0.31897E-04 -0.41507E-05 2738 0.203E-02 0.479E-02 RMM: 6 -0.339156645939E+03 0.83708E-05 -0.20947E-05 2518 0.138E-02 1501 T= 5492. E= 0.67460880E+03 F= 0.61711234E+03 E0= 0.64583578E+03 EK= 0.44725E+02 SP= 0.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339643938657E+03 -0.48728E+00 -0.89681E-02 7840 0.223E+01 0.279E-01 RMM: 2 -0.339668163658E+03 -0.24225E-01 -0.70331E-02 4943 0.654E-01 0.167E+00 RMM: 3 -0.339649018229E+03 0.19145E-01 -0.10636E-02 5412 0.248E-01 0.252E-01 RMM: 4 -0.339648559987E+03 0.45824E-03 -0.11927E-03 4660 0.707E-02 0.810E-02 RMM: 5 -0.339648556964E+03 0.30233E-05 -0.14959E-04 3875 0.304E-02 1502 T= 5597. E= 0.67460647E+03 F= 0.61662043E+03 E0= 0.64533178E+03 EK= 0.45582E+02 SP= 0.12E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339994336408E+03 -0.34578E+00 -0.90071E-02 7696 0.225E+01 0.184E-01 RMM: 2 -0.340010149239E+03 -0.15813E-01 -0.64752E-02 5071 0.580E-01 0.121E+00 RMM: 3 -0.339999712889E+03 0.10436E-01 -0.78821E-03 5415 0.199E-01 0.179E-01 RMM: 4 -0.339999506925E+03 0.20596E-03 -0.79205E-04 4880 0.541E-02 0.845E-02 RMM: 5 -0.339999453495E+03 0.53430E-04 -0.74065E-05 3586 0.235E-02 0.620E-02 RMM: 6 -0.339999433822E+03 0.19673E-04 -0.19661E-05 2524 0.133E-02 1503 T= 5690. E= 0.67460599E+03 F= 0.61626956E+03 E0= 0.64496763E+03 EK= 0.46335E+02 SP= 0.12E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340175940054E+03 -0.17649E+00 -0.95989E-02 7496 0.226E+01 0.157E-01 RMM: 2 -0.340187691295E+03 -0.11751E-01 -0.77512E-02 4800 0.658E-01 0.857E-01 RMM: 3 -0.340182611109E+03 0.50802E-02 -0.90487E-03 5651 0.188E-01 0.154E-01 RMM: 4 -0.340182365940E+03 0.24517E-03 -0.57588E-04 4666 0.512E-02 0.699E-02 RMM: 5 -0.340182336512E+03 0.29428E-04 -0.69947E-05 3527 0.228E-02 0.546E-02 RMM: 6 -0.340182323316E+03 0.13196E-04 -0.18226E-05 2511 0.128E-02 1504 T= 5766. E= 0.67460586E+03 F= 0.61608667E+03 E0= 0.64477070E+03 EK= 0.46954E+02 SP= 0.11E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340188087360E+03 -0.57508E-02 -0.93711E-02 7480 0.227E+01 0.283E-01 RMM: 2 -0.340212895274E+03 -0.24808E-01 -0.80227E-02 4883 0.699E-01 0.166E+00 RMM: 3 -0.340194315399E+03 0.18580E-01 -0.11758E-02 5395 0.255E-01 0.283E-01 RMM: 4 -0.340193747667E+03 0.56773E-03 -0.13436E-03 4674 0.762E-02 0.868E-02 RMM: 5 -0.340193737512E+03 0.10155E-04 -0.17691E-04 3887 0.322E-02 1505 T= 5825. E= 0.67460760E+03 F= 0.61607525E+03 E0= 0.64474649E+03 EK= 0.47434E+02 SP= 0.11E+02 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340044121047E+03 0.14963E+00 -0.92970E-02 7624 0.227E+01 0.188E-01 RMM: 2 -0.340060943067E+03 -0.16822E-01 -0.70427E-02 4980 0.618E-01 0.124E+00 RMM: 3 -0.340050078575E+03 0.10864E-01 -0.85657E-03 5424 0.204E-01 0.169E-01 RMM: 4 -0.340049879643E+03 0.19893E-03 -0.81186E-04 4836 0.553E-02 0.763E-02 RMM: 5 -0.340049836915E+03 0.42728E-04 -0.76966E-05 3657 0.228E-02 0.582E-02 RMM: 6 -0.340049820673E+03 0.16242E-04 -0.19558E-05 2520 0.134E-02 1506 T= 5868. E= 0.67461059E+03 F= 0.61621917E+03 E0= 0.64488009E+03 EK= 0.47787E+02 SP= 0.10E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339774902236E+03 0.27493E+00 -0.95096E-02 7312 0.227E+01 0.154E-01 RMM: 2 -0.339785480981E+03 -0.10579E-01 -0.71953E-02 4850 0.629E-01 0.785E-01 RMM: 3 -0.339781191491E+03 0.42895E-02 -0.84149E-03 5579 0.184E-01 0.162E-01 RMM: 4 -0.339780970152E+03 0.22134E-03 -0.58078E-04 4552 0.515E-02 0.702E-02 RMM: 5 -0.339780941048E+03 0.29104E-04 -0.74402E-05 3550 0.232E-02 0.559E-02 RMM: 6 -0.339780923674E+03 0.17374E-04 -0.18794E-05 2521 0.131E-02 1507 T= 5899. E= 0.67461378E+03 F= 0.61648807E+03 E0= 0.64514304E+03 EK= 0.48040E+02 SP= 0.94E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339417622449E+03 0.36332E+00 -0.96385E-02 7592 0.227E+01 0.253E-01 RMM: 2 -0.339438902197E+03 -0.21280E-01 -0.79198E-02 4962 0.690E-01 0.148E+00 RMM: 3 -0.339423940289E+03 0.14962E-01 -0.10720E-02 5412 0.237E-01 0.236E-01 RMM: 4 -0.339423542493E+03 0.39780E-03 -0.10939E-03 4696 0.671E-02 0.733E-02 RMM: 5 -0.339423525512E+03 0.16981E-04 -0.13173E-04 3926 0.277E-02 1508 T= 5923. E= 0.67461809E+03 F= 0.61684546E+03 E0= 0.64549961E+03 EK= 0.48230E+02 SP= 0.88E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339005904065E+03 0.41764E+00 -0.96268E-02 7688 0.227E+01 0.141E-01 RMM: 2 -0.339017725566E+03 -0.11822E-01 -0.74842E-02 4955 0.642E-01 0.859E-01 RMM: 3 -0.339012553035E+03 0.51725E-02 -0.85204E-03 5618 0.180E-01 0.143E-01 RMM: 4 -0.339012340984E+03 0.21205E-03 -0.51600E-04 4447 0.496E-02 0.594E-02 RMM: 5 -0.339012314495E+03 0.26489E-04 -0.58651E-05 3287 0.214E-02 0.460E-02 RMM: 6 -0.339012309197E+03 0.52979E-05 -0.18727E-05 2509 0.131E-02 1509 T= 5942. E= 0.67462192E+03 F= 0.61725668E+03 E0= 0.64591569E+03 EK= 0.48387E+02 SP= 0.82E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338568467333E+03 0.44385E+00 -0.99723E-02 7368 0.227E+01 0.203E-01 RMM: 2 -0.338582168365E+03 -0.13701E-01 -0.81304E-02 4795 0.680E-01 0.990E-01 RMM: 3 -0.338575380703E+03 0.67877E-02 -0.10051E-02 5492 0.211E-01 0.196E-01 RMM: 4 -0.338575085309E+03 0.29539E-03 -0.80649E-04 4711 0.597E-02 0.767E-02 RMM: 5 -0.338575072318E+03 0.12991E-04 -0.10824E-04 3817 0.261E-02 1510 T= 5960. E= 0.67462488E+03 F= 0.61769392E+03 E0= 0.64636220E+03 EK= 0.48538E+02 SP= 0.75E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338119236952E+03 0.45585E+00 -0.98773E-02 7640 0.227E+01 0.166E-01 RMM: 2 -0.338131643785E+03 -0.12407E-01 -0.86241E-02 4864 0.706E-01 0.830E-01 RMM: 3 -0.338126924572E+03 0.47192E-02 -0.10513E-02 5662 0.202E-01 0.166E-01 RMM: 4 -0.338126653893E+03 0.27068E-03 -0.63148E-04 4749 0.547E-02 0.765E-02 RMM: 5 -0.338126612390E+03 0.41503E-04 -0.82733E-05 3643 0.250E-02 0.544E-02 RMM: 6 -0.338126597175E+03 0.15215E-04 -0.20945E-05 2520 0.137E-02 1511 T= 5980. E= 0.67462707E+03 F= 0.61814239E+03 E0= 0.64682289E+03 EK= 0.48698E+02 SP= 0.69E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337659363662E+03 0.46725E+00 -0.10419E-01 7632 0.228E+01 0.181E-01 RMM: 2 -0.337676084886E+03 -0.16721E-01 -0.89731E-02 4760 0.713E-01 0.112E+00 RMM: 3 -0.337667145898E+03 0.89390E-02 -0.10924E-02 5550 0.217E-01 0.174E-01 RMM: 4 -0.337666871125E+03 0.27477E-03 -0.76692E-04 4802 0.578E-02 0.620E-02 RMM: 5 -0.337666849112E+03 0.22014E-04 -0.87180E-05 3781 0.249E-02 0.541E-02 RMM: 6 -0.337666834712E+03 0.14400E-04 -0.19144E-05 2519 0.128E-02 1512 T= 6001. E= 0.67462709E+03 F= 0.61860215E+03 E0= 0.64729553E+03 EK= 0.48866E+02 SP= 0.62E+01 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337173142835E+03 0.49371E+00 -0.99366E-02 7480 0.230E+01 0.236E-01 RMM: 2 -0.337193515546E+03 -0.20373E-01 -0.84552E-02 4900 0.697E-01 0.138E+00 RMM: 3 -0.337180154932E+03 0.13361E-01 -0.11200E-02 5432 0.239E-01 0.240E-01 RMM: 4 -0.337179742709E+03 0.41222E-03 -0.11141E-03 4683 0.702E-02 0.768E-02 RMM: 5 -0.337179719656E+03 0.23053E-04 -0.13192E-04 3982 0.279E-02 0.764E-02 RMM: 6 -0.337179683824E+03 0.35832E-04 -0.24698E-05 2602 0.153E-02 0.361E-02 RMM: 7 -0.337179682570E+03 0.12534E-05 -0.12352E-05 2485 0.115E-02 1513 T= 6020. E= 0.67462585E+03 F= 0.61908931E+03 E0= 0.64779308E+03 EK= 0.49024E+02 SP= 0.55E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336628848549E+03 0.55084E+00 -0.10208E-01 7792 0.231E+01 0.196E-01 RMM: 2 -0.336641715827E+03 -0.12867E-01 -0.72867E-02 4973 0.639E-01 0.994E-01 RMM: 3 -0.336634899542E+03 0.68163E-02 -0.84443E-03 5492 0.201E-01 0.208E-01 RMM: 4 -0.336634605188E+03 0.29435E-03 -0.79016E-04 4625 0.615E-02 0.874E-02 RMM: 5 -0.336634599053E+03 0.61348E-05 -0.11505E-04 3799 0.283E-02 1514 T= 6035. E= 0.67462488E+03 F= 0.61963439E+03 E0= 0.64834348E+03 EK= 0.49144E+02 SP= 0.48E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335991792505E+03 0.64281E+00 -0.10403E-01 7752 0.232E+01 0.137E-01 RMM: 2 -0.336001670217E+03 -0.98777E-02 -0.72111E-02 5272 0.609E-01 0.711E-01 RMM: 3 -0.335997780920E+03 0.38893E-02 -0.63302E-03 5679 0.161E-01 0.125E-01 RMM: 4 -0.335997656138E+03 0.12478E-03 -0.38502E-04 4408 0.409E-02 0.816E-02 RMM: 5 -0.335997602941E+03 0.53197E-04 -0.40659E-05 2837 0.196E-02 0.557E-02 RMM: 6 -0.335997594639E+03 0.83025E-05 -0.20282E-05 2506 0.135E-02 1515 T= 6040. E= 0.67462380E+03 F= 0.62027139E+03 E0= 0.64897789E+03 EK= 0.49189E+02 SP= 0.40E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335231399267E+03 0.76620E+00 -0.10676E-01 7720 0.233E+01 0.197E-01 RMM: 2 -0.335246685561E+03 -0.15286E-01 -0.76297E-02 4897 0.646E-01 0.113E+00 RMM: 3 -0.335237708006E+03 0.89776E-02 -0.90519E-03 5470 0.209E-01 0.180E-01 RMM: 4 -0.335237474169E+03 0.23384E-03 -0.77024E-04 4706 0.580E-02 0.772E-02 RMM: 5 -0.335237451954E+03 0.22215E-04 -0.93511E-05 3795 0.245E-02 0.714E-02 RMM: 6 -0.335237422758E+03 0.29196E-04 -0.20846E-05 2554 0.140E-02 0.352E-02 RMM: 7 -0.335237424474E+03 -0.17160E-05 -0.12759E-05 2484 0.116E-02 1516 T= 6033. E= 0.67462309E+03 F= 0.62103156E+03 E0= 0.64972761E+03 EK= 0.49127E+02 SP= 0.33E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334328048289E+03 0.90937E+00 -0.11256E-01 7808 0.233E+01 0.291E-01 RMM: 2 -0.334350664726E+03 -0.22616E-01 -0.81996E-02 5152 0.691E-01 0.155E+00 RMM: 3 -0.334334244029E+03 0.16421E-01 -0.10782E-02 5430 0.240E-01 0.276E-01 RMM: 4 -0.334333739665E+03 0.50436E-03 -0.13728E-03 4673 0.812E-02 0.125E-01 RMM: 5 -0.334333745866E+03 -0.62009E-05 -0.21258E-04 3877 0.374E-02 0.135E-01 RMM: 6 -0.334333620660E+03 0.12521E-03 -0.62748E-05 3394 0.240E-02 0.299E-02 RMM: 7 -0.334333618140E+03 0.25196E-05 -0.14992E-05 2507 0.117E-02 1517 T= 6010. E= 0.67462403E+03 F= 0.62193537E+03 E0= 0.65061139E+03 EK= 0.48939E+02 SP= 0.25E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333277278296E+03 0.10563E+01 -0.11885E-01 7664 0.233E+01 0.216E-01 RMM: 2 -0.333293833770E+03 -0.16555E-01 -0.87636E-02 5097 0.693E-01 0.115E+00 RMM: 3 -0.333284375212E+03 0.94586E-02 -0.98392E-03 5574 0.213E-01 0.203E-01 RMM: 4 -0.333284049319E+03 0.32589E-03 -0.83801E-04 4672 0.618E-02 0.815E-02 RMM: 5 -0.333284022645E+03 0.26674E-04 -0.11010E-04 3836 0.260E-02 0.797E-02 RMM: 6 -0.333283982794E+03 0.39851E-04 -0.24676E-05 2601 0.154E-02 0.381E-02 RMM: 7 -0.333283982529E+03 0.26481E-06 -0.15026E-05 2492 0.121E-02 1518 T= 5970. E= 0.67462678E+03 F= 0.62298501E+03 E0= 0.65163355E+03 EK= 0.48620E+02 SP= 0.17E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332101113097E+03 0.11829E+01 -0.11713E-01 7760 0.233E+01 0.194E-01 RMM: 2 -0.332115376671E+03 -0.14264E-01 -0.90085E-02 4993 0.701E-01 0.970E-01 RMM: 3 -0.332108699947E+03 0.66767E-02 -0.10013E-02 5750 0.201E-01 0.193E-01 RMM: 4 -0.332108369716E+03 0.33023E-03 -0.72242E-04 4645 0.610E-02 0.885E-02 RMM: 5 -0.332108342730E+03 0.26986E-04 -0.10341E-04 3680 0.265E-02 0.747E-02 RMM: 6 -0.332108308032E+03 0.34699E-04 -0.24068E-05 2602 0.154E-02 0.313E-02 RMM: 7 -0.332108307399E+03 0.63229E-06 -0.11768E-05 2476 0.109E-02 1519 T= 5917. E= 0.67463046E+03 F= 0.62416068E+03 E0= 0.65277569E+03 EK= 0.48189E+02 SP= 0.93E+00 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330835262427E+03 0.12730E+01 -0.11706E-01 7808 0.232E+01 0.186E-01 RMM: 2 -0.330849349447E+03 -0.14087E-01 -0.10268E-01 5006 0.745E-01 0.862E-01 RMM: 3 -0.330843969702E+03 0.53797E-02 -0.11454E-02 5882 0.204E-01 0.158E-01 RMM: 4 -0.330843687160E+03 0.28254E-03 -0.69284E-04 4676 0.604E-02 0.104E-01 RMM: 5 -0.330843632087E+03 0.55073E-04 -0.10312E-04 3661 0.260E-02 0.784E-02 RMM: 6 -0.330843594159E+03 0.37927E-04 -0.27082E-05 2652 0.164E-02 0.320E-02 RMM: 7 -0.330843593355E+03 0.80458E-06 -0.12720E-05 2485 0.109E-02 1520 T= 5855. E= 0.67463504E+03 F= 0.62542540E+03 E0= 0.65400331E+03 EK= 0.47682E+02 SP= 0.93E-01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329532284705E+03 0.13113E+01 -0.11519E-01 7856 0.231E+01 0.170E-01 RMM: 2 -0.329545551566E+03 -0.13267E-01 -0.98195E-02 5079 0.719E-01 0.818E-01 RMM: 3 -0.329540677125E+03 0.48744E-02 -0.10255E-02 5905 0.191E-01 0.174E-01 RMM: 4 -0.329540350794E+03 0.32633E-03 -0.57602E-04 4687 0.547E-02 0.809E-02 RMM: 5 -0.329540314078E+03 0.36716E-04 -0.81980E-05 3561 0.245E-02 0.612E-02 RMM: 6 -0.329540293100E+03 0.20978E-04 -0.22051E-05 2560 0.145E-02 0.356E-02 RMM: 7 -0.329540293491E+03 -0.39101E-06 -0.16004E-05 2491 0.122E-02 1521 T= 5790. E= 0.67463985E+03 F= 0.62672870E+03 E0= 0.65526781E+03 EK= 0.47152E+02 SP= -.76E+00 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328247462857E+03 0.12928E+01 -0.11347E-01 7888 0.230E+01 0.169E-01 RMM: 2 -0.328260140427E+03 -0.12678E-01 -0.10324E-01 5110 0.730E-01 0.722E-01 RMM: 3 -0.328256154185E+03 0.39862E-02 -0.10672E-02 6023 0.189E-01 0.136E-01 RMM: 4 -0.328255926622E+03 0.22756E-03 -0.56783E-04 4626 0.548E-02 0.107E-01 RMM: 5 -0.328255861167E+03 0.65455E-04 -0.86981E-05 3575 0.250E-02 0.689E-02 RMM: 6 -0.328255832974E+03 0.28194E-04 -0.24331E-05 2586 0.155E-02 0.302E-02 RMM: 7 -0.328255832328E+03 0.64513E-06 -0.11776E-05 2478 0.105E-02 1522 T= 5729. E= 0.67464474E+03 F= 0.62801316E+03 E0= 0.65651371E+03 EK= 0.46656E+02 SP= -.16E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327039630365E+03 0.12162E+01 -0.11953E-01 7880 0.229E+01 0.163E-01 RMM: 2 -0.327054318589E+03 -0.14688E-01 -0.11964E-01 5024 0.780E-01 0.758E-01 RMM: 3 -0.327050034223E+03 0.42844E-02 -0.12634E-02 5946 0.201E-01 0.165E-01 RMM: 4 -0.327049665686E+03 0.36854E-03 -0.59726E-04 4692 0.557E-02 0.810E-02 RMM: 5 -0.327049628526E+03 0.37160E-04 -0.83329E-05 3570 0.253E-02 0.658E-02 RMM: 6 -0.327049604941E+03 0.23585E-04 -0.24488E-05 2573 0.152E-02 0.399E-02 RMM: 7 -0.327049603172E+03 0.17689E-05 -0.17005E-05 2494 0.126E-02 1523 T= 5680. E= 0.67464948E+03 F= 0.62921939E+03 E0= 0.65768226E+03 EK= 0.46256E+02 SP= -.26E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325971848518E+03 0.10778E+01 -0.11466E-01 7768 0.228E+01 0.182E-01 RMM: 2 -0.325985586895E+03 -0.13738E-01 -0.10543E-01 5071 0.744E-01 0.800E-01 RMM: 3 -0.325980770969E+03 0.48159E-02 -0.11204E-02 5898 0.198E-01 0.152E-01 RMM: 4 -0.325980502622E+03 0.26835E-03 -0.61170E-04 4693 0.560E-02 0.100E-01 RMM: 5 -0.325980454131E+03 0.48491E-04 -0.92733E-05 3588 0.254E-02 0.744E-02 RMM: 6 -0.325980421253E+03 0.32878E-04 -0.26913E-05 2687 0.163E-02 0.327E-02 RMM: 7 -0.325980421634E+03 -0.38106E-06 -0.12652E-05 2484 0.110E-02 1524 T= 5651. E= 0.67465375E+03 F= 0.63028857E+03 E0= 0.65871563E+03 EK= 0.46015E+02 SP= -.35E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325094045864E+03 0.88638E+00 -0.11455E-01 7840 0.228E+01 0.184E-01 RMM: 2 -0.325107502844E+03 -0.13457E-01 -0.10511E-01 5053 0.753E-01 0.796E-01 RMM: 3 -0.325103037470E+03 0.44654E-02 -0.11367E-02 5857 0.201E-01 0.174E-01 RMM: 4 -0.325102717944E+03 0.31953E-03 -0.62841E-04 4725 0.568E-02 0.987E-02 RMM: 5 -0.325102666574E+03 0.51370E-04 -0.93792E-05 3607 0.256E-02 0.756E-02 RMM: 6 -0.325102633239E+03 0.33335E-04 -0.27515E-05 2703 0.163E-02 0.386E-02 RMM: 7 -0.325102633133E+03 0.10653E-06 -0.17139E-05 2496 0.125E-02 1525 T= 5648. E= 0.67465774E+03 F= 0.63116636E+03 E0= 0.65956021E+03 EK= 0.45991E+02 SP= -.45E+01 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324459463172E+03 0.64317E+00 -0.11394E-01 7768 0.228E+01 0.198E-01 RMM: 2 -0.324472856899E+03 -0.13394E-01 -0.96257E-02 5090 0.735E-01 0.860E-01 RMM: 3 -0.324467531313E+03 0.53256E-02 -0.10381E-02 5773 0.200E-01 0.173E-01 RMM: 4 -0.324467262159E+03 0.26915E-03 -0.66787E-04 4708 0.580E-02 0.105E-01 RMM: 5 -0.324467219317E+03 0.42842E-04 -0.10753E-04 3671 0.269E-02 0.864E-02 RMM: 6 -0.324467172437E+03 0.46880E-04 -0.32679E-05 2933 0.179E-02 0.332E-02 RMM: 7 -0.324467173763E+03 -0.13259E-05 -0.14228E-05 2490 0.115E-02 1526 T= 5678. E= 0.67466100E+03 F= 0.63180182E+03 E0= 0.66016669E+03 EK= 0.46239E+02 SP= -.55E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324110322008E+03 0.35685E+00 -0.11467E-01 7720 0.228E+01 0.202E-01 RMM: 2 -0.324123780309E+03 -0.13458E-01 -0.98409E-02 5094 0.744E-01 0.868E-01 RMM: 3 -0.324118554401E+03 0.52259E-02 -0.10637E-02 5757 0.203E-01 0.180E-01 RMM: 4 -0.324118271278E+03 0.28312E-03 -0.70109E-04 4716 0.595E-02 0.111E-01 RMM: 5 -0.324118212906E+03 0.58372E-04 -0.10912E-04 3666 0.270E-02 0.832E-02 RMM: 6 -0.324118170432E+03 0.42474E-04 -0.30504E-05 2845 0.172E-02 0.354E-02 RMM: 7 -0.324118171878E+03 -0.14464E-05 -0.15809E-05 2498 0.120E-02 1527 T= 5748. E= 0.67466374E+03 F= 0.63215082E+03 E0= 0.66049284E+03 EK= 0.46808E+02 SP= -.65E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324082193974E+03 0.35976E-01 -0.11407E-01 7816 0.229E+01 0.193E-01 RMM: 2 -0.324094957067E+03 -0.12763E-01 -0.94298E-02 5115 0.727E-01 0.828E-01 RMM: 3 -0.324090120546E+03 0.48365E-02 -0.98409E-03 5767 0.194E-01 0.171E-01 RMM: 4 -0.324089871572E+03 0.24897E-03 -0.64075E-04 4684 0.573E-02 0.110E-01 RMM: 5 -0.324089818018E+03 0.53555E-04 -0.10903E-04 3680 0.274E-02 0.853E-02 RMM: 6 -0.324089771482E+03 0.46535E-04 -0.33198E-05 2941 0.180E-02 0.334E-02 RMM: 7 -0.324089773300E+03 -0.18174E-05 -0.16195E-05 2499 0.121E-02 1528 T= 5862. E= 0.67466494E+03 F= 0.63217922E+03 E0= 0.66050641E+03 EK= 0.47737E+02 SP= -.76E+01 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324388356603E+03 -0.29859E+00 -0.11583E-01 7792 0.231E+01 0.196E-01 RMM: 2 -0.324401940963E+03 -0.13584E-01 -0.10345E-01 5037 0.774E-01 0.830E-01 RMM: 3 -0.324397201636E+03 0.47393E-02 -0.11490E-02 5790 0.206E-01 0.168E-01 RMM: 4 -0.324396920654E+03 0.28098E-03 -0.69278E-04 4709 0.606E-02 0.113E-01 RMM: 5 -0.324396853103E+03 0.67551E-04 -0.11380E-04 3774 0.286E-02 0.783E-02 RMM: 6 -0.324396815369E+03 0.37735E-04 -0.29211E-05 2784 0.167E-02 0.345E-02 RMM: 7 -0.324396816830E+03 -0.14611E-05 -0.17135E-05 2502 0.127E-02 1529 T= 6023. E= 0.67466406E+03 F= 0.63187217E+03 E0= 0.66019387E+03 EK= 0.49044E+02 SP= -.87E+01 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325018577496E+03 -0.62176E+00 -0.11486E-01 7840 0.234E+01 0.175E-01 RMM: 2 -0.325031029987E+03 -0.12452E-01 -0.98690E-02 5021 0.750E-01 0.757E-01 RMM: 3 -0.325027149696E+03 0.38803E-02 -0.10606E-02 5826 0.195E-01 0.163E-01 RMM: 4 -0.325026888660E+03 0.26104E-03 -0.58971E-04 4646 0.573E-02 0.112E-01 RMM: 5 -0.325026815868E+03 0.72792E-04 -0.10535E-04 3685 0.284E-02 0.727E-02 RMM: 6 -0.325026785014E+03 0.30854E-04 -0.28718E-05 2754 0.166E-02 0.379E-02 RMM: 7 -0.325026784122E+03 0.89264E-06 -0.19809E-05 2510 0.135E-02 1530 T= 6228. E= 0.67466072E+03 F= 0.63124221E+03 E0= 0.65956757E+03 EK= 0.50720E+02 SP= -.98E+01 SK= 0.25E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325926420149E+03 -0.89964E+00 -0.12299E-01 7792 0.238E+01 0.173E-01 RMM: 2 -0.325939518379E+03 -0.13098E-01 -0.11009E-01 4991 0.794E-01 0.705E-01 RMM: 3 -0.325935994907E+03 0.35235E-02 -0.11944E-02 5908 0.202E-01 0.144E-01 RMM: 4 -0.325935730330E+03 0.26458E-03 -0.60970E-04 4673 0.596E-02 0.116E-01 RMM: 5 -0.325935643889E+03 0.86441E-04 -0.10875E-04 3766 0.301E-02 0.659E-02 RMM: 6 -0.325935620203E+03 0.23685E-04 -0.26056E-05 2610 0.155E-02 0.398E-02 RMM: 7 -0.325935615138E+03 0.50659E-05 -0.22275E-05 2513 0.146E-02 1531 T= 6474. E= 0.67465518E+03 F= 0.63033337E+03 E0= 0.65867043E+03 EK= 0.52721E+02 SP= -.11E+02 SK= 0.25E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327040101722E+03 -0.11045E+01 -0.12777E-01 7792 0.243E+01 0.162E-01 RMM: 2 -0.327052584362E+03 -0.12483E-01 -0.10565E-01 5021 0.779E-01 0.687E-01 RMM: 3 -0.327049365831E+03 0.32185E-02 -0.11052E-02 5893 0.196E-01 0.147E-01 RMM: 4 -0.327049130634E+03 0.23520E-03 -0.56691E-04 4625 0.586E-02 0.121E-01 RMM: 5 -0.327049034259E+03 0.96375E-04 -0.10700E-04 3713 0.301E-02 0.647E-02 RMM: 6 -0.327049014093E+03 0.20167E-04 -0.25328E-05 2595 0.151E-02 0.438E-02 RMM: 7 -0.327049006774E+03 0.73184E-05 -0.21366E-05 2512 0.140E-02 1532 T= 6750. E= 0.67464754E+03 F= 0.62921998E+03 E0= 0.65757454E+03 EK= 0.54970E+02 SP= -.12E+02 SK= 0.25E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328256224607E+03 -0.12072E+01 -0.12917E-01 7880 0.249E+01 0.164E-01 RMM: 2 -0.328267936000E+03 -0.11711E-01 -0.10165E-01 5107 0.762E-01 0.645E-01 RMM: 3 -0.328265002022E+03 0.29340E-02 -0.10272E-02 5931 0.189E-01 0.132E-01 RMM: 4 -0.328264797024E+03 0.20500E-03 -0.50783E-04 4604 0.549E-02 0.127E-01 RMM: 5 -0.328264688520E+03 0.10850E-03 -0.10371E-04 3733 0.296E-02 0.621E-02 RMM: 6 -0.328264670876E+03 0.17644E-04 -0.25220E-05 2595 0.151E-02 1533 T= 7044. E= 0.67463910E+03 F= 0.62800432E+03 E0= 0.65637941E+03 EK= 0.57360E+02 SP= -.13E+02 SK= 0.25E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329454738604E+03 -0.11901E+01 -0.13527E-01 7768 0.254E+01 0.186E-01 RMM: 2 -0.329471636122E+03 -0.16898E-01 -0.12070E-01 5047 0.825E-01 0.942E-01 RMM: 3 -0.329465297981E+03 0.63381E-02 -0.12895E-02 5675 0.221E-01 0.170E-01 RMM: 4 -0.329465011622E+03 0.28636E-03 -0.72818E-04 4717 0.611E-02 0.117E-01 RMM: 5 -0.329464913371E+03 0.98251E-04 -0.11742E-04 3849 0.312E-02 0.616E-02 RMM: 6 -0.329464901929E+03 0.11442E-04 -0.27161E-05 2576 0.151E-02 1534 T= 7339. E= 0.67463120E+03 F= 0.62680409E+03 E0= 0.65520120E+03 EK= 0.59763E+02 SP= -.14E+02 SK= 0.23E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330525468691E+03 -0.10606E+01 -0.13728E-01 7640 0.260E+01 0.279E-01 RMM: 2 -0.330551659866E+03 -0.26191E-01 -0.10951E-01 5123 0.820E-01 0.159E+00 RMM: 3 -0.330534245116E+03 0.17415E-01 -0.13301E-02 5407 0.267E-01 0.234E-01 RMM: 4 -0.330533874008E+03 0.37111E-03 -0.13084E-03 4771 0.776E-02 0.123E-01 RMM: 5 -0.330533791340E+03 0.82667E-04 -0.17324E-04 3874 0.347E-02 0.943E-02 RMM: 6 -0.330533739241E+03 0.52099E-04 -0.41318E-05 2987 0.196E-02 0.549E-02 RMM: 7 -0.330533737151E+03 0.20901E-05 -0.27780E-05 2560 0.162E-02 1535 T= 7619. E= 0.67462429E+03 F= 0.62573525E+03 E0= 0.65415410E+03 EK= 0.62046E+02 SP= -.15E+02 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331361452530E+03 -0.82771E+00 -0.14476E-01 7568 0.265E+01 0.238E-01 RMM: 2 -0.331379933317E+03 -0.18481E-01 -0.12647E-01 5060 0.869E-01 0.106E+00 RMM: 3 -0.331372085374E+03 0.78479E-02 -0.13904E-02 5595 0.246E-01 0.249E-01 RMM: 4 -0.331371648574E+03 0.43680E-03 -0.11430E-03 4825 0.771E-02 0.131E-01 RMM: 5 -0.331371542771E+03 0.10580E-03 -0.18450E-04 3881 0.351E-02 0.885E-02 RMM: 6 -0.331371496569E+03 0.46202E-04 -0.38155E-05 2998 0.188E-02 0.425E-02 RMM: 7 -0.331371494978E+03 0.15910E-05 -0.23839E-05 2522 0.146E-02 1536 T= 7871. E= 0.67461963E+03 F= 0.62489749E+03 E0= 0.65333533E+03 EK= 0.64093E+02 SP= -.16E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331898339280E+03 -0.52684E+00 -0.14723E-01 7608 0.269E+01 0.223E-01 RMM: 2 -0.331916136563E+03 -0.17797E-01 -0.12074E-01 5111 0.846E-01 0.107E+00 RMM: 3 -0.331908467155E+03 0.76694E-02 -0.12520E-02 5746 0.227E-01 0.194E-01 RMM: 4 -0.331908161443E+03 0.30571E-03 -0.83578E-04 4676 0.673E-02 0.136E-01 RMM: 5 -0.331908036539E+03 0.12490E-03 -0.14904E-04 3864 0.331E-02 0.787E-02 RMM: 6 -0.331908005190E+03 0.31349E-04 -0.39616E-05 2997 0.189E-02 0.533E-02 RMM: 7 -0.331907996868E+03 0.83214E-05 -0.32912E-05 2563 0.172E-02 1537 T= 8082. E= 0.67461738E+03 F= 0.62436099E+03 E0= 0.65281458E+03 EK= 0.65813E+02 SP= -.17E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332096099466E+03 -0.18809E+00 -0.15139E-01 7592 0.271E+01 0.205E-01 RMM: 2 -0.332111233444E+03 -0.15134E-01 -0.12377E-01 5073 0.859E-01 0.829E-01 RMM: 3 -0.332106625060E+03 0.46084E-02 -0.13243E-02 5897 0.222E-01 0.165E-01 RMM: 4 -0.332106350280E+03 0.27478E-03 -0.71614E-04 4721 0.641E-02 0.141E-01 RMM: 5 -0.332106217891E+03 0.13239E-03 -0.13434E-04 3851 0.316E-02 0.724E-02 RMM: 6 -0.332106192601E+03 0.25290E-04 -0.33637E-05 2901 0.176E-02 0.483E-02 RMM: 7 -0.332106186462E+03 0.61385E-05 -0.28342E-05 2539 0.163E-02 1538 T= 8246. E= 0.67461771E+03 F= 0.62416280E+03 E0= 0.65262722E+03 EK= 0.67150E+02 SP= -.18E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331950614996E+03 0.15558E+00 -0.16381E-01 7544 0.273E+01 0.200E-01 RMM: 2 -0.331967992787E+03 -0.17378E-01 -0.15766E-01 4902 0.976E-01 0.729E-01 RMM: 3 -0.331964463375E+03 0.35294E-02 -0.18033E-02 6013 0.246E-01 0.155E-01 RMM: 4 -0.331964142195E+03 0.32118E-03 -0.84985E-04 4811 0.727E-02 0.162E-01 RMM: 5 -0.331963972087E+03 0.17011E-03 -0.15504E-04 3910 0.346E-02 0.743E-02 RMM: 6 -0.331963944794E+03 0.27293E-04 -0.36480E-05 2945 0.181E-02 0.458E-02 RMM: 7 -0.331963936963E+03 0.78310E-05 -0.27163E-05 2527 0.159E-02 1539 T= 8360. E= 0.67462053E+03 F= 0.62430505E+03 E0= 0.65277573E+03 EK= 0.68083E+02 SP= -.19E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331498999633E+03 0.46495E+00 -0.16274E-01 7464 0.273E+01 0.199E-01 RMM: 2 -0.331514320790E+03 -0.15321E-01 -0.13029E-01 5043 0.884E-01 0.788E-01 RMM: 3 -0.331510189880E+03 0.41309E-02 -0.13904E-02 5948 0.220E-01 0.165E-01 RMM: 4 -0.331509888654E+03 0.30123E-03 -0.71330E-04 4717 0.666E-02 0.139E-01 RMM: 5 -0.331509758713E+03 0.12994E-03 -0.12803E-04 3858 0.309E-02 0.694E-02 RMM: 6 -0.331509737115E+03 0.21598E-04 -0.32056E-05 2871 0.172E-02 0.496E-02 RMM: 7 -0.331509732447E+03 0.46683E-05 -0.35464E-05 2559 0.180E-02 1540 T= 8427. E= 0.67462435E+03 F= 0.62475926E+03 E0= 0.65323193E+03 EK= 0.68624E+02 SP= -.20E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330780295754E+03 0.72944E+00 -0.16318E-01 7696 0.273E+01 0.203E-01 RMM: 2 -0.330795802029E+03 -0.15506E-01 -0.13695E-01 4928 0.912E-01 0.743E-01 RMM: 3 -0.330792120171E+03 0.36819E-02 -0.15504E-02 5957 0.234E-01 0.148E-01 RMM: 4 -0.330791870635E+03 0.24954E-03 -0.74865E-04 4741 0.672E-02 0.157E-01 RMM: 5 -0.330791709088E+03 0.16155E-03 -0.13543E-04 3875 0.328E-02 0.647E-02 RMM: 6 -0.330791689348E+03 0.19740E-04 -0.31769E-05 2796 0.170E-02 1541 T= 8450. E= 0.67462949E+03 F= 0.62547730E+03 E0= 0.65394910E+03 EK= 0.68813E+02 SP= -.21E+02 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329854665650E+03 0.93704E+00 -0.15716E-01 7624 0.272E+01 0.209E-01 RMM: 2 -0.329872891084E+03 -0.18225E-01 -0.12905E-01 4951 0.881E-01 0.102E+00 RMM: 3 -0.329865866075E+03 0.70250E-02 -0.14570E-02 5728 0.241E-01 0.178E-01 RMM: 4 -0.329865559522E+03 0.30655E-03 -0.79637E-04 4737 0.641E-02 0.113E-01 RMM: 5 -0.329865473861E+03 0.85661E-04 -0.11536E-04 3857 0.299E-02 0.656E-02 RMM: 6 -0.329865456598E+03 0.17263E-04 -0.28623E-05 2607 0.157E-02 1542 T= 8436. E= 0.67463507E+03 F= 0.62640353E+03 E0= 0.65487351E+03 EK= 0.68698E+02 SP= -.21E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328773952892E+03 0.10915E+01 -0.15334E-01 7256 0.271E+01 0.278E-01 RMM: 2 -0.328802224983E+03 -0.28272E-01 -0.11239E-01 4992 0.837E-01 0.166E+00 RMM: 3 -0.328783063698E+03 0.19161E-01 -0.14476E-02 5397 0.280E-01 0.203E-01 RMM: 4 -0.328782808697E+03 0.25500E-03 -0.12248E-03 4783 0.716E-02 0.113E-01 RMM: 5 -0.328782746050E+03 0.62647E-04 -0.13942E-04 3865 0.329E-02 0.878E-02 RMM: 6 -0.328782700965E+03 0.45085E-04 -0.35989E-05 2899 0.177E-02 0.514E-02 RMM: 7 -0.328782707616E+03 -0.66506E-05 -0.30344E-05 2605 0.173E-02 1543 T= 8390. E= 0.67463935E+03 F= 0.62748628E+03 E0= 0.65595556E+03 EK= 0.68326E+02 SP= -.22E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327572047273E+03 0.12107E+01 -0.15450E-01 7488 0.270E+01 0.260E-01 RMM: 2 -0.327595088198E+03 -0.23041E-01 -0.12361E-01 4830 0.877E-01 0.136E+00 RMM: 3 -0.327582459484E+03 0.12629E-01 -0.15691E-02 5416 0.282E-01 0.262E-01 RMM: 4 -0.327582020222E+03 0.43926E-03 -0.13671E-03 4969 0.806E-02 0.113E-01 RMM: 5 -0.327582013850E+03 0.63725E-05 -0.18948E-04 3901 0.341E-02 1544 T= 8318. E= 0.67464469E+03 F= 0.62868698E+03 E0= 0.65715858E+03 EK= 0.67740E+02 SP= -.22E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326277455057E+03 0.13046E+01 -0.14971E-01 7640 0.269E+01 0.185E-01 RMM: 2 -0.326294152950E+03 -0.16698E-01 -0.11567E-01 4996 0.822E-01 0.972E-01 RMM: 3 -0.326287411832E+03 0.67411E-02 -0.11875E-02 5608 0.225E-01 0.177E-01 RMM: 4 -0.326287143049E+03 0.26878E-03 -0.61228E-04 4763 0.556E-02 0.888E-02 RMM: 5 -0.326287093066E+03 0.49983E-04 -0.87076E-05 3712 0.263E-02 0.797E-02 RMM: 6 -0.326287071734E+03 0.21332E-04 -0.32454E-05 2691 0.169E-02 0.717E-02 RMM: 7 -0.326287083220E+03 -0.11486E-04 -0.10811E-04 3879 0.244E-02 1545 T= 8223. E= 0.67464816E+03 F= 0.62998191E+03 E0= 0.65845751E+03 EK= 0.66963E+02 SP= -.23E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324903335227E+03 0.13837E+01 -0.14838E-01 7664 0.268E+01 0.211E-01 RMM: 2 -0.324917740791E+03 -0.14406E-01 -0.11298E-01 4753 0.829E-01 0.847E-01 RMM: 3 -0.324912830462E+03 0.49103E-02 -0.13496E-02 5658 0.242E-01 0.156E-01 RMM: 4 -0.324912785135E+03 0.45326E-04 -0.82752E-04 4743 0.672E-02 0.175E-01 RMM: 5 -0.324912602445E+03 0.18269E-03 -0.14433E-04 3800 0.328E-02 0.823E-02 RMM: 6 -0.324912559701E+03 0.42745E-04 -0.38486E-05 2997 0.191E-02 0.234E-02 RMM: 7 -0.324912563975E+03 -0.42742E-05 -0.13344E-05 2491 0.121E-02 1546 T= 8107. E= 0.67464997E+03 F= 0.63135643E+03 E0= 0.65983984E+03 EK= 0.66015E+02 SP= -.23E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323461676934E+03 0.14509E+01 -0.14361E-01 7680 0.266E+01 0.177E-01 RMM: 2 -0.323476923028E+03 -0.15246E-01 -0.13070E-01 4855 0.879E-01 0.730E-01 RMM: 3 -0.323473206708E+03 0.37163E-02 -0.14928E-02 5899 0.234E-01 0.150E-01 RMM: 4 -0.323472936068E+03 0.27064E-03 -0.62913E-04 4699 0.624E-02 0.117E-01 RMM: 5 -0.323472836291E+03 0.99777E-04 -0.10569E-04 3693 0.297E-02 0.697E-02 RMM: 6 -0.323472815241E+03 0.21050E-04 -0.33122E-05 2736 0.172E-02 0.517E-02 RMM: 7 -0.323472810333E+03 0.49086E-05 -0.41584E-05 2703 0.184E-02 1547 T= 7972. E= 0.67465318E+03 F= 0.63279618E+03 E0= 0.66129045E+03 EK= 0.64921E+02 SP= -.23E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321980125498E+03 0.14927E+01 -0.14156E-01 7536 0.265E+01 0.211E-01 RMM: 2 -0.321996983460E+03 -0.16858E-01 -0.13308E-01 4769 0.911E-01 0.887E-01 RMM: 3 -0.321991727217E+03 0.52562E-02 -0.16732E-02 5836 0.256E-01 0.160E-01 RMM: 4 -0.321991443782E+03 0.28344E-03 -0.80363E-04 4848 0.647E-02 0.118E-01 RMM: 5 -0.321991371022E+03 0.72760E-04 -0.11696E-04 3803 0.305E-02 0.784E-02 RMM: 6 -0.321991338280E+03 0.32742E-04 -0.35128E-05 2867 0.182E-02 0.399E-02 RMM: 7 -0.321991346604E+03 -0.83241E-05 -0.23137E-05 2535 0.150E-02 1548 T= 7824. E= 0.67465693E+03 F= 0.63427764E+03 E0= 0.66278607E+03 EK= 0.63711E+02 SP= -.23E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320490004296E+03 0.15013E+01 -0.13881E-01 7520 0.263E+01 0.227E-01 RMM: 2 -0.320509068055E+03 -0.19064E-01 -0.14135E-01 4826 0.923E-01 0.101E+00 RMM: 3 -0.320502223220E+03 0.68448E-02 -0.17114E-02 5815 0.256E-01 0.189E-01 RMM: 4 -0.320501872263E+03 0.35096E-03 -0.93977E-04 4770 0.720E-02 0.132E-01 RMM: 5 -0.320501773148E+03 0.99115E-04 -0.14540E-04 3885 0.316E-02 0.861E-02 RMM: 6 -0.320501730473E+03 0.42675E-04 -0.39125E-05 3001 0.188E-02 0.385E-02 RMM: 7 -0.320501733043E+03 -0.25707E-05 -0.19601E-05 2508 0.137E-02 1549 T= 7666. E= 0.67466204E+03 F= 0.63576726E+03 E0= 0.66429230E+03 EK= 0.62429E+02 SP= -.24E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319037867025E+03 0.14639E+01 -0.13056E-01 7496 0.261E+01 0.214E-01 RMM: 2 -0.319055001871E+03 -0.17135E-01 -0.13125E-01 4966 0.881E-01 0.938E-01 RMM: 3 -0.319049089152E+03 0.59127E-02 -0.14622E-02 5819 0.236E-01 0.183E-01 RMM: 4 -0.319048754777E+03 0.33438E-03 -0.78745E-04 4761 0.646E-02 0.114E-01 RMM: 5 -0.319048685400E+03 0.69376E-04 -0.12550E-04 3821 0.299E-02 0.843E-02 RMM: 6 -0.319048646211E+03 0.39189E-04 -0.38880E-05 2995 0.188E-02 0.425E-02 RMM: 7 -0.319048651098E+03 -0.48874E-05 -0.25324E-05 2552 0.153E-02 1550 T= 7506. E= 0.67466752E+03 F= 0.63722034E+03 E0= 0.66576341E+03 EK= 0.61127E+02 SP= -.24E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317669797532E+03 0.13788E+01 -0.13521E-01 7544 0.259E+01 0.222E-01 RMM: 2 -0.317689913437E+03 -0.20116E-01 -0.15186E-01 4934 0.948E-01 0.101E+00 RMM: 3 -0.317682930295E+03 0.69831E-02 -0.17334E-02 5851 0.250E-01 0.191E-01 RMM: 4 -0.317682508474E+03 0.42182E-03 -0.95058E-04 4799 0.712E-02 0.114E-01 RMM: 5 -0.317682452747E+03 0.55726E-04 -0.14335E-04 3873 0.306E-02 0.904E-02 RMM: 6 -0.317682404973E+03 0.47775E-04 -0.39342E-05 3021 0.190E-02 0.375E-02 RMM: 7 -0.317682408889E+03 -0.39161E-05 -0.18723E-05 2506 0.132E-02 1551 T= 7351. E= 0.67467243E+03 F= 0.63858658E+03 E0= 0.66714739E+03 EK= 0.59865E+02 SP= -.24E+02 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316439536625E+03 0.12429E+01 -0.12772E-01 7544 0.257E+01 0.203E-01 RMM: 2 -0.316455694913E+03 -0.16158E-01 -0.12274E-01 5093 0.837E-01 0.922E-01 RMM: 3 -0.316449937410E+03 0.57575E-02 -0.12657E-02 5763 0.217E-01 0.185E-01 RMM: 4 -0.316449628474E+03 0.30894E-03 -0.73713E-04 4711 0.622E-02 0.113E-01 RMM: 5 -0.316449558349E+03 0.70125E-04 -0.12187E-04 3770 0.290E-02 0.841E-02 RMM: 6 -0.316449517407E+03 0.40942E-04 -0.38039E-05 3009 0.187E-02 0.417E-02 RMM: 7 -0.316449518845E+03 -0.14375E-05 -0.26714E-05 2549 0.155E-02 1552 T= 7208. E= 0.67467642E+03 F= 0.63981947E+03 E0= 0.66839600E+03 EK= 0.58696E+02 SP= -.24E+02 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315379290144E+03 0.10702E+01 -0.12506E-01 7552 0.254E+01 0.211E-01 RMM: 2 -0.315395259433E+03 -0.15969E-01 -0.11745E-01 5001 0.836E-01 0.947E-01 RMM: 3 -0.315389217037E+03 0.60424E-02 -0.13124E-02 5804 0.222E-01 0.179E-01 RMM: 4 -0.315388897665E+03 0.31937E-03 -0.77088E-04 4715 0.646E-02 0.115E-01 RMM: 5 -0.315388841658E+03 0.56007E-04 -0.12625E-04 3771 0.300E-02 0.886E-02 RMM: 6 -0.315388794903E+03 0.46754E-04 -0.37385E-05 2996 0.187E-02 0.382E-02 RMM: 7 -0.315388798479E+03 -0.35756E-05 -0.19724E-05 2514 0.135E-02 1553 T= 7082. E= 0.67467950E+03 F= 0.64088019E+03 E0= 0.66946915E+03 EK= 0.57668E+02 SP= -.24E+02 SK= 0.49E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.314518537871E+03 0.87026E+00 -0.12723E-01 7592 0.252E+01 0.202E-01 RMM: 2 -0.314534857851E+03 -0.16320E-01 -0.12374E-01 4900 0.860E-01 0.916E-01 RMM: 3 -0.314529194102E+03 0.56637E-02 -0.14247E-02 5759 0.233E-01 0.197E-01 RMM: 4 -0.314528838134E+03 0.35597E-03 -0.79341E-04 4764 0.643E-02 0.104E-01 RMM: 5 -0.314528781488E+03 0.56646E-04 -0.12366E-04 3772 0.296E-02 0.820E-02 RMM: 6 -0.314528741770E+03 0.39718E-04 -0.35829E-05 2965 0.179E-02 0.400E-02 RMM: 7 -0.314528742464E+03 -0.69453E-06 -0.28929E-05 2550 0.163E-02 1554 T= 6977. E= 0.67468139E+03 F= 0.64174025E+03 E0= 0.67033771E+03 EK= 0.56815E+02 SP= -.24E+02 SK= 0.43E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.313878319275E+03 0.65042E+00 -0.12245E-01 7688 0.251E+01 0.191E-01 RMM: 2 -0.313891313131E+03 -0.12994E-01 -0.10059E-01 5058 0.773E-01 0.822E-01 RMM: 3 -0.313886738777E+03 0.45744E-02 -0.10708E-02 5817 0.200E-01 0.175E-01 RMM: 4 -0.313886458684E+03 0.28009E-03 -0.64135E-04 4661 0.602E-02 0.111E-01 RMM: 5 -0.313886401514E+03 0.57171E-04 -0.10727E-04 3658 0.274E-02 0.847E-02 RMM: 6 -0.313886358387E+03 0.43127E-04 -0.32342E-05 2887 0.180E-02 0.378E-02 RMM: 7 -0.313886359156E+03 -0.76879E-06 -0.17081E-05 2499 0.123E-02 1555 T= 6896. E= 0.67468284E+03 F= 0.64238263E+03 E0= 0.67098481E+03 EK= 0.56160E+02 SP= -.24E+02 SK= 0.91E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.313464731866E+03 0.42163E+00 -0.12196E-01 7784 0.250E+01 0.210E-01 RMM: 2 -0.313478202141E+03 -0.13470E-01 -0.94114E-02 5175 0.737E-01 0.936E-01 RMM: 3 -0.313472299395E+03 0.59027E-02 -0.96580E-03 5651 0.202E-01 0.204E-01 RMM: 4 -0.313471994269E+03 0.30513E-03 -0.68379E-04 4700 0.571E-02 0.951E-02 RMM: 5 -0.313471950446E+03 0.43823E-04 -0.10247E-04 3678 0.262E-02 0.849E-02 RMM: 6 -0.313471907481E+03 0.42964E-04 -0.32091E-05 2929 0.173E-02 0.390E-02 RMM: 7 -0.313471908473E+03 -0.99179E-06 -0.24664E-05 2533 0.146E-02 1556 T= 6842. E= 0.67468342E+03 F= 0.64279708E+03 E0= 0.67140057E+03 EK= 0.55715E+02 SP= -.24E+02 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.313282347105E+03 0.18956E+00 -0.12699E-01 7640 0.249E+01 0.202E-01 RMM: 2 -0.313295700681E+03 -0.13354E-01 -0.10173E-01 5099 0.765E-01 0.863E-01 RMM: 3 -0.313290602201E+03 0.50985E-02 -0.10368E-02 5752 0.203E-01 0.187E-01 RMM: 4 -0.313290309512E+03 0.29269E-03 -0.71476E-04 4661 0.612E-02 0.109E-01 RMM: 5 -0.313290263552E+03 0.45960E-04 -0.12121E-04 3727 0.284E-02 0.913E-02 RMM: 6 -0.313290211561E+03 0.51991E-04 -0.36664E-05 2974 0.191E-02 0.385E-02 RMM: 7 -0.313290211622E+03 -0.60934E-07 -0.16339E-05 2500 0.122E-02 1557 T= 6814. E= 0.67468366E+03 F= 0.64297878E+03 E0= 0.67158128E+03 EK= 0.55490E+02 SP= -.24E+02 SK= 0.46E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.313337883487E+03 -0.47672E-01 -0.12632E-01 7624 0.248E+01 0.236E-01 RMM: 2 -0.313353677949E+03 -0.15794E-01 -0.98889E-02 5203 0.752E-01 0.109E+00 RMM: 3 -0.313345589876E+03 0.80881E-02 -0.10199E-02 5578 0.214E-01 0.228E-01 RMM: 4 -0.313345211471E+03 0.37841E-03 -0.83605E-04 4733 0.626E-02 0.964E-02 RMM: 5 -0.313345180886E+03 0.30585E-04 -0.12960E-04 3830 0.288E-02 0.993E-02 RMM: 6 -0.313345120572E+03 0.60313E-04 -0.40568E-05 3091 0.191E-02 0.397E-02 RMM: 7 -0.313345122697E+03 -0.21253E-05 -0.27395E-05 2557 0.155E-02 1558 T= 6814. E= 0.67468427E+03 F= 0.64292387E+03 E0= 0.67152385E+03 EK= 0.55489E+02 SP= -.24E+02 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.313633641100E+03 -0.28852E+00 -0.13594E-01 7512 0.248E+01 0.226E-01 RMM: 2 -0.313652405117E+03 -0.18764E-01 -0.14154E-01 4904 0.910E-01 0.100E+00 RMM: 3 -0.313645582941E+03 0.68222E-02 -0.16356E-02 5792 0.247E-01 0.211E-01 RMM: 4 -0.313645124068E+03 0.45887E-03 -0.10363E-03 4886 0.725E-02 0.108E-01 RMM: 5 -0.313645093156E+03 0.30912E-04 -0.16350E-04 3902 0.309E-02 0.101E-01 RMM: 6 -0.313645026292E+03 0.66864E-04 -0.47774E-05 3163 0.206E-02 0.382E-02 RMM: 7 -0.313645029547E+03 -0.32547E-05 -0.18629E-05 2522 0.130E-02 1559 T= 6842. E= 0.67468493E+03 F= 0.64262396E+03 E0= 0.67122106E+03 EK= 0.55720E+02 SP= -.24E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314192869859E+03 -0.54784E+00 -0.13471E-01 7552 0.248E+01 0.250E-01 RMM: 2 -0.314211664435E+03 -0.18795E-01 -0.11486E-01 5081 0.832E-01 0.118E+00 RMM: 3 -0.314202120696E+03 0.95437E-02 -0.12930E-02 5607 0.238E-01 0.256E-01 RMM: 4 -0.314201621771E+03 0.49892E-03 -0.10437E-03 4746 0.707E-02 0.928E-02 RMM: 5 -0.314201602919E+03 0.18852E-04 -0.16287E-04 3919 0.304E-02 1560 T= 6900. E= 0.67468588E+03 F= 0.64206739E+03 E0= 0.67066078E+03 EK= 0.56194E+02 SP= -.24E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315009443368E+03 -0.80782E+00 -0.14031E-01 7568 0.249E+01 0.183E-01 RMM: 2 -0.315025503541E+03 -0.16060E-01 -0.13186E-01 4990 0.866E-01 0.790E-01 RMM: 3 -0.315021048460E+03 0.44551E-02 -0.15051E-02 5894 0.225E-01 0.170E-01 RMM: 4 -0.315020659543E+03 0.38892E-03 -0.68367E-04 4903 0.579E-02 0.100E-01 RMM: 5 -0.315020603410E+03 0.56133E-04 -0.10397E-04 3818 0.267E-02 0.873E-02 RMM: 6 -0.315020571197E+03 0.32213E-04 -0.39219E-05 2901 0.190E-02 0.680E-02 RMM: 7 -0.315020599789E+03 -0.28592E-04 -0.11998E-04 3892 0.261E-02 0.112E-01 RMM: 8 -0.315020517688E+03 0.82101E-04 -0.77113E-05 3851 0.226E-02 0.296E-02 RMM: 9 -0.315020517496E+03 0.19180E-06 -0.15377E-05 2502 0.117E-02 1561 T= 6989. E= 0.67468499E+03 F= 0.64124847E+03 E0= 0.66984058E+03 EK= 0.56911E+02 SP= -.23E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316074726122E+03 -0.10542E+01 -0.13875E-01 7696 0.250E+01 0.268E-01 RMM: 2 -0.316090797255E+03 -0.16071E-01 -0.12604E-01 4913 0.877E-01 0.949E-01 RMM: 3 -0.316084903903E+03 0.58934E-02 -0.14914E-02 5796 0.238E-01 0.203E-01 RMM: 4 -0.316084746083E+03 0.15782E-03 -0.11691E-03 4788 0.814E-02 0.228E-01 RMM: 5 -0.316084458147E+03 0.28794E-03 -0.26928E-04 3899 0.423E-02 0.117E-01 RMM: 6 -0.316084371954E+03 0.86193E-04 -0.74558E-05 3495 0.257E-02 0.326E-02 RMM: 7 -0.316084382815E+03 -0.10861E-04 -0.21861E-05 2558 0.137E-02 1562 T= 7104. E= 0.67468113E+03 F= 0.64018461E+03 E0= 0.66877620E+03 EK= 0.57848E+02 SP= -.23E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317330138046E+03 -0.12458E+01 -0.13710E-01 7624 0.252E+01 0.189E-01 RMM: 2 -0.317344743317E+03 -0.14605E-01 -0.11053E-01 5126 0.793E-01 0.863E-01 RMM: 3 -0.317339605411E+03 0.51379E-02 -0.11757E-02 5866 0.208E-01 0.183E-01 RMM: 4 -0.317339242267E+03 0.36314E-03 -0.66181E-04 4727 0.584E-02 0.937E-02 RMM: 5 -0.317339185490E+03 0.56777E-04 -0.99979E-05 3726 0.262E-02 0.696E-02 RMM: 6 -0.317339164754E+03 0.20736E-04 -0.25128E-05 2566 0.151E-02 0.501E-02 RMM: 7 -0.317339165145E+03 -0.39123E-06 -0.33986E-05 2678 0.170E-02 1563 T= 7238. E= 0.67467458E+03 F= 0.63892982E+03 E0= 0.66752485E+03 EK= 0.58946E+02 SP= -.23E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318682683376E+03 -0.13435E+01 -0.14637E-01 7688 0.255E+01 0.208E-01 RMM: 2 -0.318701086532E+03 -0.18403E-01 -0.14986E-01 4898 0.927E-01 0.873E-01 RMM: 3 -0.318695881012E+03 0.52055E-02 -0.17645E-02 5966 0.244E-01 0.194E-01 RMM: 4 -0.318695386276E+03 0.49474E-03 -0.91245E-04 4831 0.707E-02 0.120E-01 RMM: 5 -0.318695305921E+03 0.80355E-04 -0.14540E-04 3921 0.321E-02 0.792E-02 RMM: 6 -0.318695272702E+03 0.33219E-04 -0.34176E-05 2856 0.177E-02 0.437E-02 RMM: 7 -0.318695276111E+03 -0.34093E-05 -0.22460E-05 2547 0.142E-02 1564 T= 7381. E= 0.67466670E+03 F= 0.63757371E+03 E0= 0.66617537E+03 EK= 0.60109E+02 SP= -.23E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320033782365E+03 -0.13385E+01 -0.14371E-01 7752 0.258E+01 0.253E-01 RMM: 2 -0.320056714980E+03 -0.22933E-01 -0.14274E-01 4966 0.906E-01 0.125E+00 RMM: 3 -0.320045916837E+03 0.10798E-01 -0.16682E-02 5694 0.260E-01 0.235E-01 RMM: 4 -0.320045437266E+03 0.47957E-03 -0.11760E-03 4779 0.763E-02 0.127E-01 RMM: 5 -0.320045352885E+03 0.84381E-04 -0.18215E-04 3916 0.348E-02 0.925E-02 RMM: 6 -0.320045304199E+03 0.48685E-04 -0.46568E-05 3122 0.201E-02 0.447E-02 RMM: 7 -0.320045307874E+03 -0.36750E-05 -0.22988E-05 2559 0.143E-02 1565 T= 7518. E= 0.67465920E+03 F= 0.63622368E+03 E0= 0.66483821E+03 EK= 0.61224E+02 SP= -.23E+02 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321271294109E+03 -0.12260E+01 -0.14927E-01 7720 0.259E+01 0.221E-01 RMM: 2 -0.321290584914E+03 -0.19291E-01 -0.15580E-01 4940 0.942E-01 0.907E-01 RMM: 3 -0.321284897907E+03 0.56870E-02 -0.17945E-02 5990 0.250E-01 0.184E-01 RMM: 4 -0.321284492652E+03 0.40526E-03 -0.94851E-04 4794 0.728E-02 0.153E-01 RMM: 5 -0.321284344612E+03 0.14804E-03 -0.16447E-04 3916 0.348E-02 0.788E-02 RMM: 6 -0.321284315471E+03 0.29141E-04 -0.39169E-05 2999 0.186E-02 0.506E-02 RMM: 7 -0.321284319293E+03 -0.38219E-05 -0.35455E-05 2660 0.174E-02 1566 T= 7636. E= 0.67465314E+03 F= 0.63498467E+03 E0= 0.66361587E+03 EK= 0.62180E+02 SP= -.23E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322316611964E+03 -0.10323E+01 -0.14695E-01 7920 0.261E+01 0.251E-01 RMM: 2 -0.322337740865E+03 -0.21129E-01 -0.14279E-01 5031 0.894E-01 0.116E+00 RMM: 3 -0.322328580132E+03 0.91607E-02 -0.15859E-02 5847 0.251E-01 0.224E-01 RMM: 4 -0.322328158559E+03 0.42157E-03 -0.10976E-03 4754 0.763E-02 0.152E-01 RMM: 5 -0.322328030975E+03 0.12758E-03 -0.19190E-04 3912 0.365E-02 0.952E-02 RMM: 6 -0.322327978844E+03 0.52131E-04 -0.51936E-05 3234 0.214E-02 0.448E-02 RMM: 7 -0.322327983853E+03 -0.50091E-05 -0.26299E-05 2577 0.151E-02 1567 T= 7723. E= 0.67464912E+03 F= 0.63394101E+03 E0= 0.66259278E+03 EK= 0.62888E+02 SP= -.22E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323106914087E+03 -0.77894E+00 -0.15257E-01 8040 0.261E+01 0.219E-01 RMM: 2 -0.323125918669E+03 -0.19005E-01 -0.14989E-01 5074 0.892E-01 0.928E-01 RMM: 3 -0.323119595025E+03 0.63236E-02 -0.15095E-02 5974 0.241E-01 0.190E-01 RMM: 4 -0.323119271701E+03 0.32332E-03 -0.89371E-04 4748 0.694E-02 0.149E-01 RMM: 5 -0.323119122089E+03 0.14961E-03 -0.15333E-04 3872 0.331E-02 0.762E-02 RMM: 6 -0.323119094249E+03 0.27840E-04 -0.37023E-05 2956 0.183E-02 0.482E-02 RMM: 7 -0.323119092576E+03 0.16731E-05 -0.38116E-05 2664 0.175E-02 1568 T= 7771. E= 0.67464678E+03 F= 0.63314990E+03 E0= 0.66182223E+03 EK= 0.63287E+02 SP= -.22E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323613431775E+03 -0.49434E+00 -0.15587E-01 8184 0.261E+01 0.223E-01 RMM: 2 -0.323634114368E+03 -0.20683E-01 -0.15494E-01 5181 0.892E-01 0.103E+00 RMM: 3 -0.323626295051E+03 0.78193E-02 -0.14234E-02 6002 0.237E-01 0.207E-01 RMM: 4 -0.323625927228E+03 0.36782E-03 -0.94579E-04 4742 0.717E-02 0.143E-01 RMM: 5 -0.323625812837E+03 0.11439E-03 -0.16894E-04 3883 0.341E-02 0.902E-02 RMM: 6 -0.323625766472E+03 0.46365E-04 -0.45363E-05 3136 0.203E-02 0.436E-02 RMM: 7 -0.323625771344E+03 -0.48720E-05 -0.30731E-05 2605 0.162E-02 1569 T= 7778. E= 0.67464561E+03 F= 0.63264322E+03 E0= 0.66133435E+03 EK= 0.63342E+02 SP= -.22E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323825229751E+03 -0.19946E+00 -0.16180E-01 8352 0.260E+01 0.203E-01 RMM: 2 -0.323843969845E+03 -0.18740E-01 -0.15505E-01 5238 0.877E-01 0.848E-01 RMM: 3 -0.323838029539E+03 0.59403E-02 -0.13327E-02 6026 0.229E-01 0.185E-01 RMM: 4 -0.323837740750E+03 0.28879E-03 -0.80373E-04 4742 0.651E-02 0.136E-01 RMM: 5 -0.323837614855E+03 0.12589E-03 -0.13330E-04 3826 0.302E-02 0.746E-02 RMM: 6 -0.323837587975E+03 0.26881E-04 -0.31727E-05 2828 0.172E-02 0.451E-02 RMM: 7 -0.323837589301E+03 -0.13264E-05 -0.35768E-05 2645 0.165E-02 1570 T= 7742. E= 0.67464532E+03 F= 0.63243140E+03 E0= 0.66113774E+03 EK= 0.63046E+02 SP= -.21E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323747685281E+03 0.89903E-01 -0.16121E-01 8280 0.258E+01 0.192E-01 RMM: 2 -0.323766567260E+03 -0.18882E-01 -0.15675E-01 5281 0.875E-01 0.841E-01 RMM: 3 -0.323760666560E+03 0.59007E-02 -0.13070E-02 6086 0.224E-01 0.177E-01 RMM: 4 -0.323760369967E+03 0.29659E-03 -0.74890E-04 4713 0.636E-02 0.132E-01 RMM: 5 -0.323760268904E+03 0.10106E-03 -0.13411E-04 3818 0.308E-02 0.813E-02 RMM: 6 -0.323760233454E+03 0.35450E-04 -0.35757E-05 2966 0.183E-02 0.442E-02 RMM: 7 -0.323760237733E+03 -0.42797E-05 -0.34015E-05 2622 0.168E-02 1571 T= 7664. E= 0.67464584E+03 F= 0.63250875E+03 E0= 0.66122649E+03 EK= 0.62410E+02 SP= -.21E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323398175520E+03 0.36206E+00 -0.16310E-01 8392 0.256E+01 0.200E-01 RMM: 2 -0.323417614588E+03 -0.19439E-01 -0.16170E-01 5169 0.895E-01 0.843E-01 RMM: 3 -0.323411674274E+03 0.59403E-02 -0.14686E-02 6059 0.237E-01 0.176E-01 RMM: 4 -0.323411339652E+03 0.33462E-03 -0.78332E-04 4778 0.638E-02 0.120E-01 RMM: 5 -0.323411247870E+03 0.91781E-04 -0.12354E-04 3797 0.294E-02 0.765E-02 RMM: 6 -0.323411218784E+03 0.29086E-04 -0.31153E-05 2776 0.170E-02 0.449E-02 RMM: 7 -0.323411220987E+03 -0.22033E-05 -0.34134E-05 2630 0.165E-02 1572 T= 7547. E= 0.67464685E+03 F= 0.63285777E+03 E0= 0.66158380E+03 EK= 0.61457E+02 SP= -.20E+02 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322803068646E+03 0.60815E+00 -0.15836E-01 8288 0.254E+01 0.181E-01 RMM: 2 -0.322821053947E+03 -0.17985E-01 -0.15221E-01 5244 0.861E-01 0.790E-01 RMM: 3 -0.322815769130E+03 0.52848E-02 -0.13089E-02 6130 0.223E-01 0.164E-01 RMM: 4 -0.322815480315E+03 0.28882E-03 -0.66209E-04 4719 0.598E-02 0.122E-01 RMM: 5 -0.322815393900E+03 0.86415E-04 -0.11197E-04 3709 0.289E-02 0.759E-02 RMM: 6 -0.322815365875E+03 0.28025E-04 -0.32093E-05 2861 0.173E-02 0.467E-02 RMM: 7 -0.322815368275E+03 -0.24000E-05 -0.37589E-05 2668 0.178E-02 1573 T= 7395. E= 0.67464865E+03 F= 0.63345362E+03 E0= 0.66218737E+03 EK= 0.60223E+02 SP= -.20E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321993867201E+03 0.82150E+00 -0.15095E-01 8216 0.251E+01 0.205E-01 RMM: 2 -0.322012286845E+03 -0.18420E-01 -0.14300E-01 5220 0.845E-01 0.908E-01 RMM: 3 -0.322005744424E+03 0.65424E-02 -0.13034E-02 5993 0.226E-01 0.196E-01 RMM: 4 -0.322005375697E+03 0.36873E-03 -0.77922E-04 4738 0.637E-02 0.109E-01 RMM: 5 -0.322005313576E+03 0.62122E-04 -0.12450E-04 3788 0.291E-02 0.824E-02 RMM: 6 -0.322005277197E+03 0.36379E-04 -0.32052E-05 2864 0.174E-02 0.437E-02 RMM: 7 -0.322005282892E+03 -0.56954E-05 -0.26064E-05 2560 0.151E-02 1574 T= 7215. E= 0.67465150E+03 F= 0.63426371E+03 E0= 0.66300712E+03 EK= 0.58751E+02 SP= -.19E+02 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321011006596E+03 0.99427E+00 -0.14151E-01 8112 0.248E+01 0.182E-01 RMM: 2 -0.321027649237E+03 -0.16643E-01 -0.13961E-01 5271 0.827E-01 0.783E-01 RMM: 3 -0.321022585190E+03 0.50640E-02 -0.12081E-02 6161 0.210E-01 0.166E-01 RMM: 4 -0.321022277386E+03 0.30780E-03 -0.62915E-04 4719 0.584E-02 0.113E-01 RMM: 5 -0.321022208671E+03 0.68715E-04 -0.10379E-04 3683 0.280E-02 0.740E-02 RMM: 6 -0.321022181953E+03 0.26718E-04 -0.29208E-05 2766 0.167E-02 0.451E-02 RMM: 7 -0.321022187468E+03 -0.55154E-05 -0.31426E-05 2595 0.162E-02 1575 T= 7011. E= 0.67465420E+03 F= 0.63524680E+03 E0= 0.66400447E+03 EK= 0.57094E+02 SP= -.18E+02 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319901547830E+03 0.11206E+01 -0.13283E-01 7968 0.245E+01 0.206E-01 RMM: 2 -0.319918864059E+03 -0.17316E-01 -0.12988E-01 5083 0.818E-01 0.926E-01 RMM: 3 -0.319912450056E+03 0.64140E-02 -0.12963E-02 5940 0.224E-01 0.204E-01 RMM: 4 -0.319912031732E+03 0.41832E-03 -0.79434E-04 4747 0.646E-02 0.104E-01 RMM: 5 -0.319911986008E+03 0.45724E-04 -0.12870E-04 3821 0.297E-02 0.843E-02 RMM: 6 -0.319911945031E+03 0.40977E-04 -0.32410E-05 2886 0.175E-02 0.406E-02 RMM: 7 -0.319911950672E+03 -0.56409E-05 -0.22604E-05 2530 0.143E-02 1576 T= 6792. E= 0.67465790E+03 F= 0.63635704E+03 E0= 0.66513526E+03 EK= 0.55310E+02 SP= -.18E+02 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318718939831E+03 0.11930E+01 -0.12737E-01 7936 0.242E+01 0.186E-01 RMM: 2 -0.318734217438E+03 -0.15278E-01 -0.12314E-01 5059 0.799E-01 0.809E-01 RMM: 3 -0.318729365571E+03 0.48519E-02 -0.12402E-02 6045 0.214E-01 0.177E-01 RMM: 4 -0.318729004182E+03 0.36139E-03 -0.65366E-04 4716 0.593E-02 0.106E-01 RMM: 5 -0.318728951993E+03 0.52189E-04 -0.10611E-04 3715 0.283E-02 0.755E-02 RMM: 6 -0.318728922147E+03 0.29846E-04 -0.30012E-05 2798 0.168E-02 0.430E-02 RMM: 7 -0.318728926379E+03 -0.42314E-05 -0.30762E-05 2593 0.164E-02 1577 T= 6565. E= 0.67466166E+03 F= 0.63754006E+03 E0= 0.66634570E+03 EK= 0.53463E+02 SP= -.17E+02 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317523892707E+03 0.12050E+01 -0.12229E-01 8008 0.239E+01 0.191E-01 RMM: 2 -0.317538726346E+03 -0.14834E-01 -0.10925E-01 5117 0.750E-01 0.884E-01 RMM: 3 -0.317532936049E+03 0.57903E-02 -0.10649E-02 5952 0.203E-01 0.194E-01 RMM: 4 -0.317532574580E+03 0.36147E-03 -0.68604E-04 4702 0.606E-02 0.990E-02 RMM: 5 -0.317532533210E+03 0.41371E-04 -0.10839E-04 3702 0.274E-02 0.782E-02 RMM: 6 -0.317532498381E+03 0.34829E-04 -0.27101E-05 2708 0.163E-02 0.395E-02 RMM: 7 -0.317532504106E+03 -0.57248E-05 -0.20312E-05 2520 0.135E-02 1578 T= 6339. E= 0.67466572E+03 F= 0.63873649E+03 E0= 0.66757632E+03 EK= 0.51624E+02 SP= -.17E+02 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316380106963E+03 0.11524E+01 -0.11962E-01 8120 0.236E+01 0.179E-01 RMM: 2 -0.316393786056E+03 -0.13679E-01 -0.10966E-01 5090 0.752E-01 0.773E-01 RMM: 3 -0.316389368143E+03 0.44179E-02 -0.10990E-02 6003 0.200E-01 0.171E-01 RMM: 4 -0.316389043891E+03 0.32425E-03 -0.59642E-04 4723 0.554E-02 0.984E-02 RMM: 5 -0.316388997638E+03 0.46253E-04 -0.91469E-05 3623 0.262E-02 0.702E-02 RMM: 6 -0.316388972913E+03 0.24725E-04 -0.26065E-05 2633 0.157E-02 0.427E-02 RMM: 7 -0.316388978618E+03 -0.57053E-05 -0.22608E-05 2556 0.140E-02 1579 T= 6124. E= 0.67467140E+03 F= 0.63988001E+03 E0= 0.66875862E+03 EK= 0.49867E+02 SP= -.16E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315368898724E+03 0.10201E+01 -0.11514E-01 8168 0.233E+01 0.188E-01 RMM: 2 -0.315383085279E+03 -0.14187E-01 -0.96196E-02 5264 0.697E-01 0.932E-01 RMM: 3 -0.315376696196E+03 0.63891E-02 -0.88799E-03 5828 0.190E-01 0.184E-01 RMM: 4 -0.315376401153E+03 0.29504E-03 -0.65136E-04 4659 0.563E-02 0.940E-02 RMM: 5 -0.315376364356E+03 0.36797E-04 -0.95712E-05 3643 0.256E-02 0.768E-02 RMM: 6 -0.315376332274E+03 0.32082E-04 -0.24521E-05 2629 0.154E-02 0.416E-02 RMM: 7 -0.315376336366E+03 -0.40914E-05 -0.17157E-05 2513 0.123E-02 1580 T= 5928. E= 0.67467738E+03 F= 0.64089265E+03 E0= 0.66981301E+03 EK= 0.48275E+02 SP= -.15E+02 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314569984393E+03 0.80635E+00 -0.11228E-01 8136 0.230E+01 0.201E-01 RMM: 2 -0.314584359304E+03 -0.14375E-01 -0.96754E-02 5249 0.701E-01 0.946E-01 RMM: 3 -0.314577844401E+03 0.65149E-02 -0.95011E-03 5692 0.200E-01 0.187E-01 RMM: 4 -0.314577562633E+03 0.28177E-03 -0.71243E-04 4794 0.557E-02 0.951E-02 RMM: 5 -0.314577524221E+03 0.38412E-04 -0.95683E-05 3666 0.263E-02 0.783E-02 RMM: 6 -0.314577489889E+03 0.34332E-04 -0.27151E-05 2729 0.160E-02 0.441E-02 RMM: 7 -0.314577494216E+03 -0.43273E-05 -0.22899E-05 2552 0.143E-02 1581 T= 5763. E= 0.67468331E+03 F= 0.64169150E+03 E0= 0.67065309E+03 EK= 0.46934E+02 SP= -.15E+02 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314065434975E+03 0.51205E+00 -0.10774E-01 8280 0.228E+01 0.201E-01 RMM: 2 -0.314080455843E+03 -0.15021E-01 -0.89762E-02 5254 0.680E-01 0.105E+00 RMM: 3 -0.314072684752E+03 0.77711E-02 -0.85240E-03 5659 0.194E-01 0.197E-01 RMM: 4 -0.314072383205E+03 0.30155E-03 -0.74605E-04 4652 0.596E-02 0.946E-02 RMM: 5 -0.314072346321E+03 0.36884E-04 -0.10380E-04 3720 0.257E-02 0.782E-02 RMM: 6 -0.314072312828E+03 0.33494E-04 -0.24133E-05 2603 0.154E-02 0.420E-02 RMM: 7 -0.314072315670E+03 -0.28425E-05 -0.15802E-05 2503 0.120E-02 1582 T= 5639. E= 0.67468791E+03 F= 0.64219667E+03 E0= 0.67119775E+03 EK= 0.45923E+02 SP= -.14E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313914612168E+03 0.15770E+00 -0.10447E-01 8008 0.227E+01 0.206E-01 RMM: 2 -0.313929219044E+03 -0.14607E-01 -0.83884E-02 5408 0.647E-01 0.105E+00 RMM: 3 -0.313921328321E+03 0.78907E-02 -0.77951E-03 5445 0.193E-01 0.217E-01 RMM: 4 -0.313921028517E+03 0.29980E-03 -0.78481E-04 4706 0.576E-02 0.910E-02 RMM: 5 -0.313920992309E+03 0.36208E-04 -0.10286E-04 3738 0.259E-02 0.794E-02 RMM: 6 -0.313920956944E+03 0.35364E-04 -0.24493E-05 2670 0.153E-02 0.443E-02 RMM: 7 -0.313920959761E+03 -0.28162E-05 -0.18052E-05 2515 0.128E-02 1583 T= 5563. E= 0.67469000E+03 F= 0.64234803E+03 E0= 0.67138407E+03 EK= 0.45301E+02 SP= -.14E+02 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314141736898E+03 -0.22078E+00 -0.10367E-01 7784 0.226E+01 0.210E-01 RMM: 2 -0.314156488454E+03 -0.14752E-01 -0.88175E-02 5185 0.680E-01 0.104E+00 RMM: 3 -0.314148861427E+03 0.76270E-02 -0.90781E-03 5547 0.203E-01 0.222E-01 RMM: 4 -0.314148504290E+03 0.35714E-03 -0.83595E-04 4671 0.614E-02 0.887E-02 RMM: 5 -0.314148479031E+03 0.25259E-04 -0.12024E-04 3814 0.278E-02 0.835E-02 RMM: 6 -0.314148437451E+03 0.41579E-04 -0.28403E-05 2825 0.162E-02 0.417E-02 RMM: 7 -0.314148438398E+03 -0.94702E-06 -0.14931E-05 2498 0.119E-02 1584 T= 5537. E= 0.67468946E+03 F= 0.64212055E+03 E0= 0.67118708E+03 EK= 0.45090E+02 SP= -.13E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314732089374E+03 -0.58365E+00 -0.10898E-01 7832 0.226E+01 0.221E-01 RMM: 2 -0.314748941297E+03 -0.16852E-01 -0.87862E-02 5135 0.673E-01 0.119E+00 RMM: 3 -0.314739002780E+03 0.99385E-02 -0.92398E-03 5445 0.213E-01 0.222E-01 RMM: 4 -0.314738687261E+03 0.31552E-03 -0.93326E-04 4708 0.621E-02 0.966E-02 RMM: 5 -0.314738649379E+03 0.37882E-04 -0.12634E-04 3832 0.287E-02 0.844E-02 RMM: 6 -0.314738605936E+03 0.43443E-04 -0.30095E-05 2841 0.167E-02 0.411E-02 RMM: 7 -0.314738607389E+03 -0.14528E-05 -0.16535E-05 2510 0.125E-02 1585 T= 5559. E= 0.67468599E+03 F= 0.64153038E+03 E0= 0.67062154E+03 EK= 0.45271E+02 SP= -.13E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315630263946E+03 -0.89166E+00 -0.11377E-01 7848 0.227E+01 0.236E-01 RMM: 2 -0.315648721430E+03 -0.18457E-01 -0.10708E-01 4931 0.766E-01 0.118E+00 RMM: 3 -0.315639041358E+03 0.96801E-02 -0.12131E-02 5507 0.236E-01 0.244E-01 RMM: 4 -0.315638590059E+03 0.45130E-03 -0.10899E-03 4719 0.697E-02 0.942E-02 RMM: 5 -0.315638567049E+03 0.23011E-04 -0.15901E-04 3881 0.318E-02 0.921E-02 RMM: 6 -0.315638513773E+03 0.53276E-04 -0.37598E-05 3004 0.182E-02 0.409E-02 RMM: 7 -0.315638513637E+03 0.13561E-06 -0.15714E-05 2502 0.126E-02 1586 T= 5623. E= 0.67468085E+03 F= 0.64063048E+03 E0= 0.66973969E+03 EK= 0.45788E+02 SP= -.12E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316766102258E+03 -0.11276E+01 -0.11159E-01 7880 0.229E+01 0.214E-01 RMM: 2 -0.316782592172E+03 -0.16490E-01 -0.10418E-01 5077 0.737E-01 0.107E+00 RMM: 3 -0.316774692627E+03 0.78995E-02 -0.11049E-02 5600 0.220E-01 0.225E-01 RMM: 4 -0.316774332648E+03 0.35998E-03 -0.91350E-04 4715 0.641E-02 0.106E-01 RMM: 5 -0.316774276481E+03 0.56167E-04 -0.13563E-04 3836 0.298E-02 0.867E-02 RMM: 6 -0.316774231704E+03 0.44777E-04 -0.31269E-05 2833 0.171E-02 0.459E-02 RMM: 7 -0.316774228979E+03 0.27247E-05 -0.22025E-05 2553 0.142E-02 1587 T= 5718. E= 0.67467523E+03 F= 0.63949476E+03 E0= 0.66861451E+03 EK= 0.46564E+02 SP= -.12E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318061199690E+03 -0.12870E+01 -0.11676E-01 7952 0.231E+01 0.232E-01 RMM: 2 -0.318079537296E+03 -0.18338E-01 -0.11086E-01 5144 0.758E-01 0.116E+00 RMM: 3 -0.318070245818E+03 0.92915E-02 -0.11749E-02 5630 0.225E-01 0.225E-01 RMM: 4 -0.318069849816E+03 0.39600E-03 -0.10015E-03 4689 0.677E-02 0.109E-01 RMM: 5 -0.318069800976E+03 0.48841E-04 -0.15101E-04 3864 0.312E-02 0.947E-02 RMM: 6 -0.318069747120E+03 0.53855E-04 -0.37593E-05 3002 0.184E-02 0.466E-02 RMM: 7 -0.318069745973E+03 0.11476E-05 -0.17893E-05 2522 0.129E-02 1588 T= 5835. E= 0.67467008E+03 F= 0.63819924E+03 E0= 0.66732093E+03 EK= 0.47520E+02 SP= -.11E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319451835169E+03 -0.13821E+01 -0.12155E-01 8320 0.232E+01 0.213E-01 RMM: 2 -0.319467644279E+03 -0.15809E-01 -0.11172E-01 5240 0.746E-01 0.977E-01 RMM: 3 -0.319460889623E+03 0.67547E-02 -0.10787E-02 5828 0.208E-01 0.212E-01 RMM: 4 -0.319460524297E+03 0.36533E-03 -0.81916E-04 4709 0.617E-02 0.115E-01 RMM: 5 -0.319460444632E+03 0.79665E-04 -0.12526E-04 3815 0.288E-02 0.838E-02 RMM: 6 -0.319460406105E+03 0.38527E-04 -0.29326E-05 2784 0.166E-02 0.493E-02 RMM: 7 -0.319460402178E+03 0.39263E-05 -0.21171E-05 2535 0.136E-02 1589 T= 5967. E= 0.67466570E+03 F= 0.63680859E+03 E0= 0.66592257E+03 EK= 0.48588E+02 SP= -.11E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320886180155E+03 -0.14258E+01 -0.12718E-01 8288 0.234E+01 0.213E-01 RMM: 2 -0.320904439030E+03 -0.18259E-01 -0.12506E-01 5149 0.790E-01 0.104E+00 RMM: 3 -0.320896603366E+03 0.78357E-02 -0.12779E-02 5815 0.219E-01 0.202E-01 RMM: 4 -0.320896202832E+03 0.40053E-03 -0.88741E-04 4731 0.654E-02 0.113E-01 RMM: 5 -0.320896137715E+03 0.65118E-04 -0.13754E-04 3852 0.303E-02 0.876E-02 RMM: 6 -0.320896093091E+03 0.44624E-04 -0.34846E-05 2938 0.179E-02 0.468E-02 RMM: 7 -0.320896092003E+03 0.10879E-05 -0.19173E-05 2526 0.131E-02 1590 T= 6105. E= 0.67466153E+03 F= 0.63537290E+03 E0= 0.66446819E+03 EK= 0.49713E+02 SP= -.11E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322326344486E+03 -0.14303E+01 -0.12933E-01 8640 0.236E+01 0.212E-01 RMM: 2 -0.322342473465E+03 -0.16129E-01 -0.11601E-01 5262 0.753E-01 0.963E-01 RMM: 3 -0.322335717455E+03 0.67560E-02 -0.10823E-02 5877 0.207E-01 0.208E-01 RMM: 4 -0.322335342348E+03 0.37511E-03 -0.79479E-04 4747 0.614E-02 0.112E-01 RMM: 5 -0.322335273652E+03 0.68696E-04 -0.12730E-04 3833 0.290E-02 0.841E-02 RMM: 6 -0.322335231802E+03 0.41850E-04 -0.30305E-05 2842 0.171E-02 0.438E-02 RMM: 7 -0.322335230037E+03 0.17655E-05 -0.19203E-05 2523 0.127E-02 1591 T= 6244. E= 0.67465651E+03 F= 0.63393376E+03 E0= 0.66299974E+03 EK= 0.50848E+02 SP= -.10E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323725474811E+03 -0.13902E+01 -0.13567E-01 8696 0.239E+01 0.195E-01 RMM: 2 -0.323741812580E+03 -0.16338E-01 -0.11968E-01 5179 0.758E-01 0.924E-01 RMM: 3 -0.323735366225E+03 0.64464E-02 -0.11313E-02 5908 0.206E-01 0.180E-01 RMM: 4 -0.323735033174E+03 0.33305E-03 -0.73869E-04 4732 0.599E-02 0.110E-01 RMM: 5 -0.323734968009E+03 0.65166E-04 -0.11994E-04 3778 0.288E-02 0.796E-02 RMM: 6 -0.323734930422E+03 0.37587E-04 -0.31696E-05 2872 0.173E-02 0.419E-02 RMM: 7 -0.323734931308E+03 -0.88607E-06 -0.19621E-05 2530 0.130E-02 1592 T= 6379. E= 0.67465079E+03 F= 0.63253406E+03 E0= 0.66156038E+03 EK= 0.51945E+02 SP= -.10E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325038474642E+03 -0.13035E+01 -0.13764E-01 8704 0.241E+01 0.191E-01 RMM: 2 -0.325054123307E+03 -0.15649E-01 -0.12240E-01 5173 0.769E-01 0.850E-01 RMM: 3 -0.325048590498E+03 0.55328E-02 -0.11575E-02 5972 0.207E-01 0.187E-01 RMM: 4 -0.325048238407E+03 0.35209E-03 -0.69938E-04 4754 0.586E-02 0.108E-01 RMM: 5 -0.325048172486E+03 0.65921E-04 -0.11661E-04 3795 0.287E-02 0.742E-02 RMM: 6 -0.325048139381E+03 0.33105E-04 -0.28505E-05 2765 0.164E-02 0.413E-02 RMM: 7 -0.325048139010E+03 0.37162E-06 -0.22156E-05 2543 0.137E-02 1593 T= 6503. E= 0.67464499E+03 F= 0.63122085E+03 E0= 0.66019927E+03 EK= 0.52955E+02 SP= -.97E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326217545954E+03 -0.11694E+01 -0.14381E-01 8368 0.244E+01 0.173E-01 RMM: 2 -0.326234627137E+03 -0.17081E-01 -0.13814E-01 5064 0.817E-01 0.821E-01 RMM: 3 -0.326229283371E+03 0.53438E-02 -0.13473E-02 6031 0.216E-01 0.164E-01 RMM: 4 -0.326228923764E+03 0.35961E-03 -0.68244E-04 4745 0.595E-02 0.103E-01 RMM: 5 -0.326228860848E+03 0.62916E-04 -0.10597E-04 3687 0.281E-02 0.703E-02 RMM: 6 -0.326228834031E+03 0.26817E-04 -0.28499E-05 2715 0.163E-02 0.429E-02 RMM: 7 -0.326228834771E+03 -0.74026E-06 -0.22643E-05 2557 0.140E-02 1594 T= 6610. E= 0.67464001E+03 F= 0.63004015E+03 E0= 0.65896434E+03 EK= 0.53827E+02 SP= -.94E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327232361854E+03 -0.10035E+01 -0.14223E-01 8672 0.247E+01 0.173E-01 RMM: 2 -0.327248100198E+03 -0.15738E-01 -0.13049E-01 5068 0.789E-01 0.764E-01 RMM: 3 -0.327243386774E+03 0.47134E-02 -0.12813E-02 6032 0.212E-01 0.177E-01 RMM: 4 -0.327243009854E+03 0.37692E-03 -0.64248E-04 4726 0.570E-02 0.975E-02 RMM: 5 -0.327242953598E+03 0.56256E-04 -0.95962E-05 3646 0.267E-02 0.691E-02 RMM: 6 -0.327242929037E+03 0.24561E-04 -0.24771E-05 2591 0.152E-02 0.463E-02 RMM: 7 -0.327242927455E+03 0.15821E-05 -0.28108E-05 2608 0.154E-02 1595 T= 6696. E= 0.67463695E+03 F= 0.62902606E+03 E0= 0.65789308E+03 EK= 0.54526E+02 SP= -.91E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328071500736E+03 -0.82857E+00 -0.14461E-01 8536 0.249E+01 0.184E-01 RMM: 2 -0.328088819465E+03 -0.17319E-01 -0.13242E-01 5067 0.801E-01 0.904E-01 RMM: 3 -0.328082639322E+03 0.61801E-02 -0.12859E-02 5916 0.220E-01 0.176E-01 RMM: 4 -0.328082308764E+03 0.33056E-03 -0.73717E-04 4754 0.602E-02 0.103E-01 RMM: 5 -0.328082251671E+03 0.57093E-04 -0.10257E-04 3675 0.267E-02 0.749E-02 RMM: 6 -0.328082224328E+03 0.27344E-04 -0.26573E-05 2630 0.159E-02 0.491E-02 RMM: 7 -0.328082227587E+03 -0.32592E-05 -0.24095E-05 2588 0.147E-02 1596 T= 6759. E= 0.67463707E+03 F= 0.62818676E+03 E0= 0.65699535E+03 EK= 0.55042E+02 SP= -.88E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328767308778E+03 -0.68508E+00 -0.14646E-01 8560 0.250E+01 0.198E-01 RMM: 2 -0.328783642771E+03 -0.16334E-01 -0.13022E-01 5155 0.807E-01 0.833E-01 RMM: 3 -0.328778362477E+03 0.52803E-02 -0.12879E-02 5824 0.220E-01 0.196E-01 RMM: 4 -0.328777999109E+03 0.36337E-03 -0.77674E-04 4821 0.611E-02 0.108E-01 RMM: 5 -0.328777939786E+03 0.59323E-04 -0.10811E-04 3752 0.270E-02 0.801E-02 RMM: 6 -0.328777907757E+03 0.32029E-04 -0.26488E-05 2627 0.159E-02 0.494E-02 RMM: 7 -0.328777909586E+03 -0.18293E-05 -0.29352E-05 2630 0.161E-02 1597 T= 6804. E= 0.67464047E+03 F= 0.62749108E+03 E0= 0.65624186E+03 EK= 0.55404E+02 SP= -.85E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329389540864E+03 -0.61163E+00 -0.14104E-01 8216 0.250E+01 0.225E-01 RMM: 2 -0.329408742520E+03 -0.19202E-01 -0.12803E-01 5050 0.821E-01 0.108E+00 RMM: 3 -0.329400389173E+03 0.83533E-02 -0.14059E-02 5760 0.234E-01 0.219E-01 RMM: 4 -0.329399953775E+03 0.43540E-03 -0.98930E-04 4711 0.690E-02 0.107E-01 RMM: 5 -0.329399906542E+03 0.47233E-04 -0.13582E-04 3923 0.288E-02 0.886E-02 RMM: 6 -0.329399863308E+03 0.43234E-04 -0.29687E-05 2775 0.168E-02 0.471E-02 RMM: 7 -0.329399868027E+03 -0.47184E-05 -0.21780E-05 2550 0.142E-02 1598 T= 6837. E= 0.67464513E+03 F= 0.62686912E+03 E0= 0.65556328E+03 EK= 0.55681E+02 SP= -.81E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330018547677E+03 -0.61868E+00 -0.12941E-01 7768 0.251E+01 0.209E-01 RMM: 2 -0.330034586276E+03 -0.16039E-01 -0.11572E-01 4940 0.804E-01 0.934E-01 RMM: 3 -0.330028411428E+03 0.61748E-02 -0.13391E-02 5710 0.230E-01 0.208E-01 RMM: 4 -0.330028011853E+03 0.39958E-03 -0.86079E-04 4799 0.639E-02 0.969E-02 RMM: 5 -0.330027966882E+03 0.44971E-04 -0.12046E-04 3852 0.284E-02 0.813E-02 RMM: 6 -0.330027930471E+03 0.36411E-04 -0.28800E-05 2677 0.164E-02 0.426E-02 RMM: 7 -0.330027934496E+03 -0.40256E-05 -0.18426E-05 2527 0.134E-02 1599 T= 6870. E= 0.67464788E+03 F= 0.62624105E+03 E0= 0.65488010E+03 EK= 0.55946E+02 SP= -.78E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330703274719E+03 -0.67534E+00 -0.12624E-01 7536 0.251E+01 0.181E-01 RMM: 2 -0.330716546825E+03 -0.13272E-01 -0.96127E-02 4865 0.746E-01 0.855E-01 RMM: 3 -0.330711483058E+03 0.50638E-02 -0.11022E-02 5710 0.207E-01 0.162E-01 RMM: 4 -0.330711232913E+03 0.25014E-03 -0.65739E-04 4674 0.581E-02 0.911E-02 RMM: 5 -0.330711194038E+03 0.38875E-04 -0.95340E-05 3679 0.265E-02 0.732E-02 RMM: 6 -0.330711162978E+03 0.31061E-04 -0.26955E-05 2608 0.159E-02 0.345E-02 RMM: 7 -0.330711166159E+03 -0.31816E-05 -0.17836E-05 2506 0.130E-02 1600 T= 6907. E= 0.67464748E+03 F= 0.62555782E+03 E0= 0.65414355E+03 EK= 0.56246E+02 SP= -.74E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331441844770E+03 -0.73068E+00 -0.12271E-01 7488 0.252E+01 0.180E-01 RMM: 2 -0.331453347387E+03 -0.11503E-01 -0.83154E-02 5056 0.685E-01 0.816E-01 RMM: 3 -0.331448708935E+03 0.46385E-02 -0.89235E-03 5692 0.188E-01 0.162E-01 RMM: 4 -0.331448495148E+03 0.21379E-03 -0.60723E-04 4647 0.555E-02 0.106E-01 RMM: 5 -0.331448437074E+03 0.58073E-04 -0.98249E-05 3675 0.264E-02 0.763E-02 RMM: 6 -0.331448403537E+03 0.33537E-04 -0.26553E-05 2684 0.161E-02 0.347E-02 RMM: 7 -0.331448404915E+03 -0.13776E-05 -0.15442E-05 2496 0.120E-02 1601 T= 6948. E= 0.67464418E+03 F= 0.62482058E+03 E0= 0.65335523E+03 EK= 0.56578E+02 SP= -.71E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332187731447E+03 -0.73933E+00 -0.13215E-01 8064 0.252E+01 0.178E-01 RMM: 2 -0.332202234632E+03 -0.14503E-01 -0.11134E-01 4967 0.776E-01 0.824E-01 RMM: 3 -0.332197363681E+03 0.48710E-02 -0.12338E-02 5820 0.215E-01 0.162E-01 RMM: 4 -0.332197083130E+03 0.28055E-03 -0.69312E-04 4710 0.600E-02 0.114E-01 RMM: 5 -0.332197002487E+03 0.80643E-04 -0.10299E-04 3719 0.281E-02 0.677E-02 RMM: 6 -0.332196984803E+03 0.17684E-04 -0.24599E-05 2567 0.149E-02 1602 T= 6987. E= 0.67464056E+03 F= 0.62407200E+03 E0= 0.65255843E+03 EK= 0.56901E+02 SP= -.67E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332896413807E+03 -0.69941E+00 -0.13429E-01 8560 0.253E+01 0.212E-01 RMM: 2 -0.332915379574E+03 -0.18966E-01 -0.11616E-01 5310 0.763E-01 0.113E+00 RMM: 3 -0.332906274076E+03 0.91055E-02 -0.11298E-02 5520 0.224E-01 0.218E-01 RMM: 4 -0.332905934840E+03 0.33924E-03 -0.92351E-04 4866 0.617E-02 0.106E-01 RMM: 5 -0.332905870272E+03 0.64568E-04 -0.97362E-05 3862 0.255E-02 0.829E-02 RMM: 6 -0.332905855359E+03 0.14913E-04 -0.20240E-05 2536 0.134E-02 1603 T= 7020. E= 0.67463872E+03 F= 0.62336313E+03 E0= 0.65180559E+03 EK= 0.57163E+02 SP= -.62E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333531940556E+03 -0.62607E+00 -0.13859E-01 8680 0.252E+01 0.379E-01 RMM: 2 -0.333579467370E+03 -0.47527E-01 -0.13349E-01 5190 0.851E-01 0.232E+00 RMM: 3 -0.333542072704E+03 0.37395E-01 -0.19676E-02 5375 0.336E-01 0.343E-01 RMM: 4 -0.333541217618E+03 0.85509E-03 -0.23306E-03 5003 0.959E-02 0.108E-01 RMM: 5 -0.333541163894E+03 0.53723E-04 -0.23524E-04 4363 0.324E-02 0.994E-02 RMM: 6 -0.333541125055E+03 0.38839E-04 -0.29625E-05 2661 0.167E-02 0.764E-02 RMM: 7 -0.333541142184E+03 -0.17129E-04 -0.36449E-05 2908 0.181E-02 1604 T= 7040. E= 0.67463771E+03 F= 0.62272785E+03 E0= 0.65113157E+03 EK= 0.57330E+02 SP= -.58E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334080113641E+03 -0.53899E+00 -0.14063E-01 8664 0.251E+01 0.297E-01 RMM: 2 -0.334108681679E+03 -0.28568E-01 -0.13409E-01 5233 0.795E-01 0.155E+00 RMM: 3 -0.334090923050E+03 0.17759E-01 -0.15182E-02 5384 0.280E-01 0.292E-01 RMM: 4 -0.334090496806E+03 0.42624E-03 -0.19302E-03 4901 0.936E-02 0.169E-01 RMM: 5 -0.334090426559E+03 0.70248E-04 -0.28879E-04 3915 0.417E-02 0.145E-01 RMM: 6 -0.334090287985E+03 0.13857E-03 -0.78518E-05 3560 0.257E-02 0.403E-02 RMM: 7 -0.334090299493E+03 -0.11509E-04 -0.25296E-05 2632 0.150E-02 1605 T= 7047. E= 0.67463804E+03 F= 0.62217869E+03 E0= 0.65055052E+03 EK= 0.57389E+02 SP= -.54E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334542589864E+03 -0.45230E+00 -0.15334E-01 8936 0.249E+01 0.257E-01 RMM: 2 -0.334569782829E+03 -0.27193E-01 -0.15815E-01 5091 0.880E-01 0.138E+00 RMM: 3 -0.334555974928E+03 0.13808E-01 -0.17566E-02 5559 0.272E-01 0.236E-01 RMM: 4 -0.334555494680E+03 0.48025E-03 -0.13741E-03 4955 0.744E-02 0.104E-01 RMM: 5 -0.334555437024E+03 0.57656E-04 -0.17159E-04 3931 0.319E-02 0.837E-02 RMM: 6 -0.334555401232E+03 0.35792E-04 -0.31535E-05 2742 0.165E-02 0.619E-02 RMM: 7 -0.334555399283E+03 0.19490E-05 -0.27668E-05 2597 0.161E-02 1606 T= 7041. E= 0.67463871E+03 F= 0.62171359E+03 E0= 0.65005815E+03 EK= 0.57341E+02 SP= -.49E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334926422150E+03 -0.37102E+00 -0.16910E-01 8712 0.248E+01 0.177E-01 RMM: 2 -0.334948884801E+03 -0.22463E-01 -0.17674E-01 5128 0.908E-01 0.915E-01 RMM: 3 -0.334941801877E+03 0.70829E-02 -0.15748E-02 5745 0.243E-01 0.174E-01 RMM: 4 -0.334941427634E+03 0.37424E-03 -0.90063E-04 4952 0.646E-02 0.918E-02 RMM: 5 -0.334941379820E+03 0.47814E-04 -0.10902E-04 3886 0.270E-02 0.675E-02 RMM: 6 -0.334941359918E+03 0.19903E-04 -0.23041E-05 2554 0.144E-02 1607 T= 7023. E= 0.67463858E+03 F= 0.62132763E+03 E0= 0.64965124E+03 EK= 0.57191E+02 SP= -.44E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335231837489E+03 -0.29046E+00 -0.17293E-01 8648 0.247E+01 0.211E-01 RMM: 2 -0.335257077155E+03 -0.25240E-01 -0.18758E-01 5160 0.926E-01 0.105E+00 RMM: 3 -0.335248100309E+03 0.89768E-02 -0.16677E-02 5673 0.254E-01 0.214E-01 RMM: 4 -0.335247617449E+03 0.48286E-03 -0.10811E-03 4913 0.695E-02 0.941E-02 RMM: 5 -0.335247564468E+03 0.52981E-04 -0.13132E-04 4262 0.277E-02 0.758E-02 RMM: 6 -0.335247542694E+03 0.21775E-04 -0.24407E-05 2560 0.149E-02 0.600E-02 RMM: 7 -0.335247548442E+03 -0.57484E-05 -0.27391E-05 2632 0.152E-02 1608 T= 6992. E= 0.67463782E+03 F= 0.62102144E+03 E0= 0.64932753E+03 EK= 0.56942E+02 SP= -.39E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335455793770E+03 -0.20825E+00 -0.16046E-01 8760 0.246E+01 0.241E-01 RMM: 2 -0.335477566111E+03 -0.21772E-01 -0.15302E-01 5217 0.831E-01 0.108E+00 RMM: 3 -0.335468569010E+03 0.89971E-02 -0.13344E-02 5645 0.239E-01 0.227E-01 RMM: 4 -0.335468185470E+03 0.38354E-03 -0.11072E-03 4737 0.723E-02 0.125E-01 RMM: 5 -0.335468171096E+03 0.14374E-04 -0.18738E-04 3885 0.343E-02 1609 T= 6949. E= 0.67463779E+03 F= 0.62080082E+03 E0= 0.64909294E+03 EK= 0.56590E+02 SP= -.33E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335577262623E+03 -0.10908E+00 -0.17509E-01 8784 0.245E+01 0.170E-01 RMM: 2 -0.335598703225E+03 -0.21441E-01 -0.17322E-01 5347 0.897E-01 0.847E-01 RMM: 3 -0.335592525080E+03 0.61781E-02 -0.13647E-02 5738 0.229E-01 0.159E-01 RMM: 4 -0.335592243176E+03 0.28190E-03 -0.75302E-04 4909 0.585E-02 0.103E-01 RMM: 5 -0.335592174227E+03 0.68949E-04 -0.10208E-04 3760 0.274E-02 0.719E-02 RMM: 6 -0.335592167027E+03 0.72004E-05 -0.36523E-05 2847 0.178E-02 1610 T= 6892. E= 0.67463729E+03 F= 0.62067682E+03 E0= 0.64895558E+03 EK= 0.56128E+02 SP= -.28E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335592560933E+03 -0.38671E-03 -0.15654E-01 8624 0.244E+01 0.300E-01 RMM: 2 -0.335629041094E+03 -0.36480E-01 -0.13466E-01 5143 0.788E-01 0.187E+00 RMM: 3 -0.335603346204E+03 0.25695E-01 -0.14982E-02 5364 0.287E-01 0.232E-01 RMM: 4 -0.335602973725E+03 0.37248E-03 -0.16213E-03 4981 0.781E-02 0.968E-02 RMM: 5 -0.335602943375E+03 0.30351E-04 -0.15741E-04 3920 0.319E-02 0.926E-02 RMM: 6 -0.335602890567E+03 0.52807E-04 -0.36583E-05 2937 0.183E-02 0.414E-02 RMM: 7 -0.335602890845E+03 -0.27747E-06 -0.17080E-05 2516 0.135E-02 1611 T= 6820. E= 0.67463569E+03 F= 0.62066610E+03 E0= 0.64893213E+03 EK= 0.55540E+02 SP= -.22E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335474601452E+03 0.12829E+00 -0.14822E-01 8736 0.243E+01 0.352E-01 RMM: 2 -0.335511953849E+03 -0.37352E-01 -0.13742E-01 5126 0.828E-01 0.195E+00 RMM: 3 -0.335485141169E+03 0.26813E-01 -0.16991E-02 5376 0.306E-01 0.339E-01 RMM: 4 -0.335484303383E+03 0.83779E-03 -0.20158E-03 5003 0.940E-02 0.109E-01 RMM: 5 -0.335484322926E+03 -0.19543E-04 -0.27029E-04 3901 0.390E-02 0.133E-01 RMM: 6 -0.335484205211E+03 0.11772E-03 -0.68544E-05 3423 0.241E-02 0.433E-02 RMM: 7 -0.335484200569E+03 0.46413E-05 -0.19747E-05 2540 0.132E-02 1612 T= 6732. E= 0.67463455E+03 F= 0.62078479E+03 E0= 0.64903652E+03 EK= 0.54818E+02 SP= -.16E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335215145838E+03 0.26906E+00 -0.14259E-01 8736 0.242E+01 0.225E-01 RMM: 2 -0.335235950715E+03 -0.20805E-01 -0.12933E-01 5090 0.788E-01 0.116E+00 RMM: 3 -0.335225863007E+03 0.10088E-01 -0.12394E-02 5505 0.240E-01 0.224E-01 RMM: 4 -0.335225460187E+03 0.40282E-03 -0.10257E-03 4797 0.672E-02 0.905E-02 RMM: 5 -0.335225420541E+03 0.39646E-04 -0.13024E-04 3878 0.297E-02 0.778E-02 RMM: 6 -0.335225383123E+03 0.37419E-04 -0.29570E-05 2735 0.164E-02 0.451E-02 RMM: 7 -0.335225387833E+03 -0.47101E-05 -0.20516E-05 2557 0.139E-02 1613 T= 6626. E= 0.67463388E+03 F= 0.62104360E+03 E0= 0.64927982E+03 EK= 0.53955E+02 SP= -.11E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334815038155E+03 0.41034E+00 -0.13826E-01 8504 0.242E+01 0.194E-01 RMM: 2 -0.334831523322E+03 -0.16485E-01 -0.12961E-01 5002 0.804E-01 0.832E-01 RMM: 3 -0.334825975953E+03 0.55474E-02 -0.12926E-02 5685 0.229E-01 0.149E-01 RMM: 4 -0.334825754349E+03 0.22160E-03 -0.79399E-04 4888 0.599E-02 0.111E-01 RMM: 5 -0.334825692295E+03 0.62055E-04 -0.10699E-04 3726 0.275E-02 0.757E-02 RMM: 6 -0.334825657175E+03 0.35120E-04 -0.27970E-05 2694 0.164E-02 0.342E-02 RMM: 7 -0.334825657690E+03 -0.51529E-06 -0.14960E-05 2496 0.123E-02 1614 T= 6503. E= 0.67463446E+03 F= 0.62144333E+03 E0= 0.64966217E+03 EK= 0.52959E+02 SP= -.47E+00 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334292389070E+03 0.53327E+00 -0.13280E-01 8152 0.241E+01 0.166E-01 RMM: 2 -0.334306723524E+03 -0.14334E-01 -0.12128E-01 5066 0.775E-01 0.701E-01 RMM: 3 -0.334302633551E+03 0.40900E-02 -0.11524E-02 5970 0.205E-01 0.157E-01 RMM: 4 -0.334302341854E+03 0.29170E-03 -0.59556E-04 4674 0.557E-02 0.102E-01 RMM: 5 -0.334302269150E+03 0.72703E-04 -0.85496E-05 3535 0.258E-02 0.709E-02 RMM: 6 -0.334302244532E+03 0.24618E-04 -0.24445E-05 2571 0.150E-02 0.509E-02 RMM: 7 -0.334302236930E+03 0.76024E-05 -0.29971E-05 2631 0.153E-02 1615 T= 6367. E= 0.67463674E+03 F= 0.62196675E+03 E0= 0.65016655E+03 EK= 0.51852E+02 SP= 0.12E+00 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333689463025E+03 0.61278E+00 -0.12319E-01 8176 0.239E+01 0.177E-01 RMM: 2 -0.333702421600E+03 -0.12959E-01 -0.10425E-01 5068 0.727E-01 0.744E-01 RMM: 3 -0.333698036931E+03 0.43847E-02 -0.10252E-02 5905 0.200E-01 0.147E-01 RMM: 4 -0.333697840602E+03 0.19633E-03 -0.58240E-04 4763 0.531E-02 0.109E-01 RMM: 5 -0.333697770829E+03 0.69773E-04 -0.82106E-05 3543 0.246E-02 0.705E-02 RMM: 6 -0.333697745006E+03 0.25823E-04 -0.25908E-05 2629 0.160E-02 0.402E-02 RMM: 7 -0.333697745528E+03 -0.52190E-06 -0.22278E-05 2575 0.137E-02 1616 T= 6224. E= 0.67464071E+03 F= 0.62257124E+03 E0= 0.65075066E+03 EK= 0.50683E+02 SP= 0.71E+00 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333073766114E+03 0.62398E+00 -0.12002E-01 7864 0.237E+01 0.191E-01 RMM: 2 -0.333087331479E+03 -0.13565E-01 -0.10577E-01 5027 0.756E-01 0.806E-01 RMM: 3 -0.333082690995E+03 0.46405E-02 -0.11482E-02 5887 0.204E-01 0.174E-01 RMM: 4 -0.333082366982E+03 0.32401E-03 -0.68653E-04 4651 0.604E-02 0.109E-01 RMM: 5 -0.333082289168E+03 0.77815E-04 -0.10453E-04 3678 0.265E-02 0.755E-02 RMM: 6 -0.333082259139E+03 0.30028E-04 -0.25538E-05 2621 0.158E-02 0.455E-02 RMM: 7 -0.333082255136E+03 0.40030E-05 -0.17316E-05 2521 0.124E-02 1617 T= 6082. E= 0.67464722E+03 F= 0.62318673E+03 E0= 0.65134497E+03 EK= 0.49528E+02 SP= 0.13E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332546592800E+03 0.53567E+00 -0.11004E-01 7728 0.235E+01 0.182E-01 RMM: 2 -0.332558480693E+03 -0.11888E-01 -0.88668E-02 5027 0.705E-01 0.783E-01 RMM: 3 -0.332553989291E+03 0.44914E-02 -0.97703E-03 5751 0.196E-01 0.162E-01 RMM: 4 -0.332553748992E+03 0.24030E-03 -0.59347E-04 4792 0.524E-02 0.882E-02 RMM: 5 -0.332553705542E+03 0.43449E-04 -0.77884E-05 3550 0.239E-02 0.710E-02 RMM: 6 -0.332553680443E+03 0.25099E-04 -0.24138E-05 2571 0.152E-02 0.445E-02 RMM: 7 -0.332553682353E+03 -0.19095E-05 -0.28260E-05 2615 0.153E-02 1618 T= 5954. E= 0.67465462E+03 F= 0.62371531E+03 E0= 0.65185241E+03 EK= 0.48489E+02 SP= 0.18E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332213098599E+03 0.34058E+00 -0.10348E-01 7680 0.232E+01 0.201E-01 RMM: 2 -0.332225054111E+03 -0.11956E-01 -0.83795E-02 4993 0.707E-01 0.852E-01 RMM: 3 -0.332219997837E+03 0.50563E-02 -0.96601E-03 5662 0.198E-01 0.176E-01 RMM: 4 -0.332219752777E+03 0.24506E-03 -0.71274E-04 4649 0.602E-02 0.106E-01 RMM: 5 -0.332219697580E+03 0.55197E-04 -0.11444E-04 3767 0.269E-02 0.814E-02 RMM: 6 -0.332219656215E+03 0.41364E-04 -0.29709E-05 2820 0.171E-02 0.325E-02 RMM: 7 -0.332219656041E+03 0.17460E-06 -0.12251E-05 2478 0.108E-02 1619 T= 5854. E= 0.67466100E+03 F= 0.62404933E+03 E0= 0.65216584E+03 EK= 0.47671E+02 SP= 0.24E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332163392470E+03 0.56264E-01 -0.95663E-02 7600 0.230E+01 0.174E-01 RMM: 2 -0.332172969750E+03 -0.95773E-02 -0.66409E-02 5090 0.626E-01 0.775E-01 RMM: 3 -0.332168782864E+03 0.41869E-02 -0.72424E-03 5582 0.174E-01 0.147E-01 RMM: 4 -0.332168609041E+03 0.17382E-03 -0.50655E-04 4545 0.482E-02 0.823E-02 RMM: 5 -0.332168569608E+03 0.39433E-04 -0.68910E-05 3492 0.227E-02 0.649E-02 RMM: 6 -0.332168546622E+03 0.22986E-04 -0.21929E-05 2552 0.143E-02 0.368E-02 RMM: 7 -0.332168548066E+03 -0.14444E-05 -0.20789E-05 2524 0.134E-02 1620 T= 5791. E= 0.67466411E+03 F= 0.62410044E+03 E0= 0.65219839E+03 EK= 0.47162E+02 SP= 0.29E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332436991301E+03 -0.26844E+00 -0.94476E-02 7848 0.229E+01 0.158E-01 RMM: 2 -0.332445221060E+03 -0.82298E-02 -0.61065E-02 5169 0.585E-01 0.687E-01 RMM: 3 -0.332441912229E+03 0.33088E-02 -0.63371E-03 5746 0.157E-01 0.132E-01 RMM: 4 -0.332441771278E+03 0.14095E-03 -0.42581E-04 4264 0.463E-02 0.935E-02 RMM: 5 -0.332441718106E+03 0.53172E-04 -0.65675E-05 3433 0.225E-02 0.620E-02 RMM: 6 -0.332441697047E+03 0.21059E-04 -0.21137E-05 2553 0.144E-02 0.313E-02 RMM: 7 -0.332441698606E+03 -0.15590E-05 -0.12339E-05 2486 0.108E-02 1621 T= 5772. E= 0.67466302E+03 F= 0.62382729E+03 E0= 0.65190956E+03 EK= 0.47001E+02 SP= 0.34E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333014783368E+03 -0.57309E+00 -0.10214E-01 8432 0.228E+01 0.138E-01 RMM: 2 -0.333024434513E+03 -0.96511E-02 -0.84438E-02 5161 0.650E-01 0.564E-01 RMM: 3 -0.333021954604E+03 0.24799E-02 -0.82676E-03 5956 0.167E-01 0.109E-01 RMM: 4 -0.333021788042E+03 0.16656E-03 -0.40121E-04 4454 0.449E-02 0.975E-02 RMM: 5 -0.333021724967E+03 0.63075E-04 -0.52752E-05 3200 0.224E-02 0.558E-02 RMM: 6 -0.333021715023E+03 0.99432E-05 -0.19302E-05 2521 0.132E-02 1622 T= 5792. E= 0.67465860E+03 F= 0.62324727E+03 E0= 0.65131743E+03 EK= 0.47167E+02 SP= 0.38E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333834148483E+03 -0.81242E+00 -0.11234E-01 8848 0.229E+01 0.170E-01 RMM: 2 -0.333847537349E+03 -0.13389E-01 -0.95288E-02 5312 0.670E-01 0.838E-01 RMM: 3 -0.333842157932E+03 0.53794E-02 -0.86286E-03 5546 0.191E-01 0.164E-01 RMM: 4 -0.333841939079E+03 0.21885E-03 -0.64390E-04 4838 0.505E-02 0.825E-02 RMM: 5 -0.333841898869E+03 0.40210E-04 -0.54441E-05 3133 0.211E-02 0.655E-02 RMM: 6 -0.333841892215E+03 0.66547E-05 -0.18789E-05 2513 0.133E-02 1623 T= 5845. E= 0.67465236E+03 F= 0.62242710E+03 E0= 0.65048923E+03 EK= 0.47594E+02 SP= 0.43E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334801373218E+03 -0.95947E+00 -0.12208E-01 8848 0.230E+01 0.277E-01 RMM: 2 -0.334827519373E+03 -0.26146E-01 -0.10534E-01 5317 0.715E-01 0.157E+00 RMM: 3 -0.334809801528E+03 0.17718E-01 -0.11587E-02 5371 0.250E-01 0.289E-01 RMM: 4 -0.334809226414E+03 0.57511E-03 -0.13963E-03 4765 0.747E-02 0.974E-02 RMM: 5 -0.334809180848E+03 0.45566E-04 -0.13654E-04 4222 0.269E-02 0.848E-02 RMM: 6 -0.334809159875E+03 0.20973E-04 -0.17921E-05 2538 0.128E-02 0.727E-02 RMM: 7 -0.334809174054E+03 -0.14179E-04 -0.39184E-05 2929 0.184E-02 1624 T= 5917. E= 0.67464542E+03 F= 0.62145982E+03 E0= 0.64951829E+03 EK= 0.48186E+02 SP= 0.47E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335817116464E+03 -0.10080E+01 -0.12938E-01 8928 0.231E+01 0.249E-01 RMM: 2 -0.335839330620E+03 -0.22214E-01 -0.11020E-01 5476 0.692E-01 0.135E+00 RMM: 3 -0.335825819677E+03 0.13511E-01 -0.97897E-03 5377 0.224E-01 0.242E-01 RMM: 4 -0.335825492135E+03 0.32754E-03 -0.12980E-03 4695 0.775E-02 0.132E-01 RMM: 5 -0.335825436453E+03 0.55683E-04 -0.17960E-04 3908 0.325E-02 0.112E-01 RMM: 6 -0.335825356914E+03 0.79539E-04 -0.48152E-05 3183 0.212E-02 0.385E-02 RMM: 7 -0.335825367089E+03 -0.10176E-04 -0.23558E-05 2593 0.148E-02 1625 T= 5998. E= 0.67463864E+03 F= 0.62044362E+03 E0= 0.64850351E+03 EK= 0.48843E+02 SP= 0.51E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336790847168E+03 -0.96549E+00 -0.14623E-01 8928 0.233E+01 0.204E-01 RMM: 2 -0.336811594727E+03 -0.20748E-01 -0.13144E-01 5370 0.745E-01 0.114E+00 RMM: 3 -0.336801613821E+03 0.99809E-02 -0.10967E-02 5538 0.214E-01 0.174E-01 RMM: 4 -0.336801379563E+03 0.23426E-03 -0.93398E-04 4897 0.615E-02 0.110E-01 RMM: 5 -0.336801298082E+03 0.81481E-04 -0.11027E-04 3847 0.257E-02 0.760E-02 RMM: 6 -0.336801276084E+03 0.21999E-04 -0.22310E-05 2560 0.143E-02 0.586E-02 RMM: 7 -0.336801271063E+03 0.50205E-05 -0.30961E-05 2652 0.157E-02 1626 T= 6075. E= 0.67463329E+03 F= 0.61946772E+03 E0= 0.64752975E+03 EK= 0.49474E+02 SP= 0.54E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337658541434E+03 -0.85727E+00 -0.15912E-01 9056 0.234E+01 0.175E-01 RMM: 2 -0.337675046043E+03 -0.16505E-01 -0.13335E-01 5392 0.746E-01 0.794E-01 RMM: 3 -0.337669608301E+03 0.54377E-02 -0.10388E-02 6051 0.192E-01 0.144E-01 RMM: 4 -0.337669351922E+03 0.25638E-03 -0.58294E-04 4590 0.524E-02 0.101E-01 RMM: 5 -0.337669294391E+03 0.57531E-04 -0.78826E-05 3561 0.240E-02 0.668E-02 RMM: 6 -0.337669278325E+03 0.16066E-04 -0.21879E-05 2559 0.143E-02 1627 T= 6141. E= 0.67462972E+03 F= 0.61859971E+03 E0= 0.64666659E+03 EK= 0.50010E+02 SP= 0.58E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338376810520E+03 -0.70752E+00 -0.17606E-01 8936 0.234E+01 0.215E-01 RMM: 2 -0.338399747063E+03 -0.22937E-01 -0.15192E-01 5331 0.806E-01 0.114E+00 RMM: 3 -0.338389648542E+03 0.10099E-01 -0.12886E-02 5623 0.228E-01 0.186E-01 RMM: 4 -0.338389334599E+03 0.31394E-03 -0.94330E-04 4998 0.614E-02 0.101E-01 RMM: 5 -0.338389268328E+03 0.66271E-04 -0.10515E-04 3930 0.257E-02 0.748E-02 RMM: 6 -0.338389251221E+03 0.17106E-04 -0.23003E-05 2555 0.142E-02 1628 T= 6190. E= 0.67462808E+03 F= 0.61787974E+03 E0= 0.64595064E+03 EK= 0.50409E+02 SP= 0.61E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338941124506E+03 -0.55186E+00 -0.17862E-01 8888 0.234E+01 0.413E-01 RMM: 2 -0.338991035142E+03 -0.49911E-01 -0.15770E-01 5203 0.879E-01 0.234E+00 RMM: 3 -0.338953050657E+03 0.37984E-01 -0.21820E-02 5368 0.350E-01 0.376E-01 RMM: 4 -0.338951959313E+03 0.10913E-02 -0.25277E-03 5091 0.101E-01 0.934E-02 RMM: 5 -0.338951954071E+03 0.52424E-05 -0.29084E-04 4452 0.332E-02 0.105E-01 RMM: 6 -0.338951888688E+03 0.65383E-04 -0.35303E-05 2847 0.178E-02 0.573E-02 RMM: 7 -0.338951913647E+03 -0.24959E-04 -0.37263E-05 2950 0.176E-02 0.824E-02 RMM: 8 -0.338951885254E+03 0.28392E-04 -0.89582E-05 3817 0.205E-02 0.458E-02 RMM: 9 -0.338951873632E+03 0.11623E-04 -0.14440E-05 2541 0.105E-02 1629 T= 6221. E= 0.67462861E+03 F= 0.61731712E+03 E0= 0.64539109E+03 EK= 0.50663E+02 SP= 0.64E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339363990541E+03 -0.41211E+00 -0.18168E-01 8896 0.234E+01 0.256E-01 RMM: 2 -0.339388226647E+03 -0.24236E-01 -0.15210E-01 5430 0.798E-01 0.121E+00 RMM: 3 -0.339376723172E+03 0.11503E-01 -0.12588E-02 5407 0.251E-01 0.237E-01 RMM: 4 -0.339376557558E+03 0.16561E-03 -0.15557E-03 4831 0.858E-02 0.199E-01 RMM: 5 -0.339376387629E+03 0.16993E-03 -0.26695E-04 3915 0.410E-02 0.129E-01 RMM: 6 -0.339376278394E+03 0.10923E-03 -0.68662E-05 3467 0.241E-02 0.384E-02 RMM: 7 -0.339376304937E+03 -0.26543E-04 -0.35516E-05 2887 0.173E-02 0.725E-02 RMM: 8 -0.339376277888E+03 0.27048E-04 -0.34847E-05 2647 0.179E-02 0.248E-02 RMM: 9 -0.339376277398E+03 0.49062E-06 -0.10384E-05 2458 0.947E-03 1630 T= 6237. E= 0.67463018E+03 F= 0.61689271E+03 E0= 0.64496754E+03 EK= 0.50789E+02 SP= 0.68E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339686372798E+03 -0.31009E+00 -0.16664E-01 8952 0.234E+01 0.220E-01 RMM: 2 -0.339707130873E+03 -0.20758E-01 -0.13988E-01 5189 0.805E-01 0.110E+00 RMM: 3 -0.339698164665E+03 0.89662E-02 -0.12575E-02 5800 0.226E-01 0.183E-01 RMM: 4 -0.339697842650E+03 0.32201E-03 -0.88950E-04 4823 0.626E-02 0.912E-02 RMM: 5 -0.339697792349E+03 0.50301E-04 -0.11581E-04 4025 0.260E-02 0.744E-02 RMM: 6 -0.339697760149E+03 0.32200E-04 -0.24515E-05 2576 0.149E-02 0.436E-02 RMM: 7 -0.339697761594E+03 -0.14457E-05 -0.26638E-05 2614 0.153E-02 1631 T= 6241. E= 0.67463233E+03 F= 0.61657123E+03 E0= 0.64464537E+03 EK= 0.50821E+02 SP= 0.71E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339947224512E+03 -0.24946E+00 -0.15088E-01 8952 0.233E+01 0.154E-01 RMM: 2 -0.339962130956E+03 -0.14906E-01 -0.12893E-01 5079 0.779E-01 0.661E-01 RMM: 3 -0.339958603013E+03 0.35279E-02 -0.12298E-02 6197 0.202E-01 0.141E-01 RMM: 4 -0.339958284842E+03 0.31817E-03 -0.53437E-04 4629 0.525E-02 0.839E-02 RMM: 5 -0.339958235229E+03 0.49613E-04 -0.70843E-05 3460 0.234E-02 0.560E-02 RMM: 6 -0.339958229100E+03 0.61293E-05 -0.21448E-05 2538 0.140E-02 1632 T= 6238. E= 0.67463401E+03 F= 0.61631076E+03 E0= 0.64438177E+03 EK= 0.50802E+02 SP= 0.74E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340179630793E+03 -0.22140E+00 -0.15088E-01 8216 0.233E+01 0.225E-01 RMM: 2 -0.340204704161E+03 -0.25073E-01 -0.14921E-01 4835 0.876E-01 0.127E+00 RMM: 3 -0.340192575519E+03 0.12129E-01 -0.16490E-02 5605 0.260E-01 0.196E-01 RMM: 4 -0.340192201997E+03 0.37352E-03 -0.11604E-03 5099 0.680E-02 0.880E-02 RMM: 5 -0.340192148553E+03 0.53444E-04 -0.12496E-04 4190 0.283E-02 0.662E-02 RMM: 6 -0.340192132778E+03 0.15775E-04 -0.23709E-05 2558 0.142E-02 1633 T= 6234. E= 0.67463497E+03 F= 0.61607686E+03 E0= 0.64414506E+03 EK= 0.50765E+02 SP= 0.76E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340410262301E+03 -0.21811E+00 -0.13131E-01 8256 0.234E+01 0.332E-01 RMM: 2 -0.340442844273E+03 -0.32582E-01 -0.11497E-01 4954 0.792E-01 0.186E+00 RMM: 3 -0.340419402018E+03 0.23442E-01 -0.16663E-02 5371 0.304E-01 0.347E-01 RMM: 4 -0.340418513801E+03 0.88822E-03 -0.18301E-03 4926 0.871E-02 0.779E-02 RMM: 5 -0.340418489224E+03 0.24578E-04 -0.20967E-04 4451 0.300E-02 0.879E-02 RMM: 6 -0.340418448953E+03 0.40271E-04 -0.28677E-05 2636 0.165E-02 0.538E-02 RMM: 7 -0.340418470883E+03 -0.21930E-04 -0.33995E-05 2754 0.171E-02 0.848E-02 RMM: 8 -0.340418422651E+03 0.48232E-04 -0.78064E-05 3671 0.200E-02 0.367E-02 RMM: 9 -0.340418417578E+03 0.50732E-05 -0.21139E-05 2560 0.131E-02 1634 T= 6229. E= 0.67463465E+03 F= 0.61585057E+03 E0= 0.64391674E+03 EK= 0.50729E+02 SP= 0.79E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340632538946E+03 -0.21412E+00 -0.11818E-01 8136 0.234E+01 0.276E-01 RMM: 2 -0.340654414984E+03 -0.21876E-01 -0.10069E-01 4871 0.724E-01 0.141E+00 RMM: 3 -0.340640562738E+03 0.13852E-01 -0.12569E-02 5409 0.253E-01 0.257E-01 RMM: 4 -0.340640201004E+03 0.36173E-03 -0.15032E-03 4789 0.838E-02 0.147E-01 RMM: 5 -0.340640114393E+03 0.86611E-04 -0.21198E-04 3909 0.354E-02 0.110E-01 RMM: 6 -0.340640036746E+03 0.77648E-04 -0.51476E-05 3219 0.216E-02 0.330E-02 RMM: 7 -0.340640043062E+03 -0.63167E-05 -0.20471E-05 2533 0.138E-02 1635 T= 6226. E= 0.67463384E+03 F= 0.61562895E+03 E0= 0.64369602E+03 EK= 0.50698E+02 SP= 0.82E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340841414013E+03 -0.20138E+00 -0.11286E-01 8048 0.235E+01 0.196E-01 RMM: 2 -0.340855870291E+03 -0.14456E-01 -0.87244E-02 5101 0.680E-01 0.100E+00 RMM: 3 -0.340848635586E+03 0.72347E-02 -0.90896E-03 5609 0.199E-01 0.198E-01 RMM: 4 -0.340848314602E+03 0.32098E-03 -0.68328E-04 4765 0.557E-02 0.725E-02 RMM: 5 -0.340848285810E+03 0.28792E-04 -0.87755E-05 3690 0.239E-02 0.690E-02 RMM: 6 -0.340848263190E+03 0.22620E-04 -0.21819E-05 2549 0.141E-02 0.495E-02 RMM: 7 -0.340848271425E+03 -0.82346E-05 -0.36400E-05 2788 0.174E-02 1636 T= 6221. E= 0.67463277E+03 F= 0.61542072E+03 E0= 0.64349337E+03 EK= 0.50664E+02 SP= 0.84E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341021555512E+03 -0.17329E+00 -0.11299E-01 7792 0.235E+01 0.163E-01 RMM: 2 -0.341033065845E+03 -0.11510E-01 -0.99335E-02 4848 0.733E-01 0.633E-01 RMM: 3 -0.341030226663E+03 0.28392E-02 -0.11308E-02 5969 0.196E-01 0.104E-01 RMM: 4 -0.341030051978E+03 0.17468E-03 -0.54025E-04 4699 0.533E-02 0.122E-01 RMM: 5 -0.341029957399E+03 0.94579E-04 -0.84283E-05 3542 0.270E-02 0.557E-02 RMM: 6 -0.341029942850E+03 0.14549E-04 -0.23003E-05 2547 0.142E-02 1637 T= 6215. E= 0.67463119E+03 F= 0.61523905E+03 E0= 0.64332271E+03 EK= 0.50613E+02 SP= 0.87E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341156887634E+03 -0.12693E+00 -0.11882E-01 7680 0.235E+01 0.192E-01 RMM: 2 -0.341174109985E+03 -0.17222E-01 -0.12175E-01 4907 0.803E-01 0.948E-01 RMM: 3 -0.341167435979E+03 0.66740E-02 -0.13343E-02 5717 0.221E-01 0.175E-01 RMM: 4 -0.341167091007E+03 0.34497E-03 -0.77988E-04 4875 0.609E-02 0.867E-02 RMM: 5 -0.341167042050E+03 0.48957E-04 -0.10177E-04 3907 0.262E-02 0.663E-02 RMM: 6 -0.341167022769E+03 0.19281E-04 -0.23355E-05 2549 0.144E-02 1638 T= 6205. E= 0.67463026E+03 F= 0.61510197E+03 E0= 0.64320306E+03 EK= 0.50529E+02 SP= 0.89E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341229892971E+03 -0.62851E-01 -0.11267E-01 7888 0.235E+01 0.271E-01 RMM: 2 -0.341253425390E+03 -0.23532E-01 -0.10045E-01 5078 0.737E-01 0.150E+00 RMM: 3 -0.341237747146E+03 0.15678E-01 -0.12095E-02 5413 0.253E-01 0.245E-01 RMM: 4 -0.341237314598E+03 0.43255E-03 -0.12392E-03 4800 0.706E-02 0.910E-02 RMM: 5 -0.341237274751E+03 0.39847E-04 -0.13206E-04 3936 0.289E-02 0.814E-02 RMM: 6 -0.341237239134E+03 0.35617E-04 -0.26351E-05 2586 0.154E-02 0.570E-02 RMM: 7 -0.341237253320E+03 -0.14187E-04 -0.38616E-05 2918 0.187E-02 1639 T= 6188. E= 0.67462847E+03 F= 0.61503174E+03 E0= 0.64315722E+03 EK= 0.50388E+02 SP= 0.91E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341205827887E+03 0.31411E-01 -0.11420E-01 7904 0.235E+01 0.259E-01 RMM: 2 -0.341225448453E+03 -0.19621E-01 -0.11290E-01 5074 0.753E-01 0.122E+00 RMM: 3 -0.341214713685E+03 0.10735E-01 -0.11903E-02 5482 0.237E-01 0.239E-01 RMM: 4 -0.341214396745E+03 0.31694E-03 -0.13313E-03 4780 0.795E-02 0.145E-01 RMM: 5 -0.341214327439E+03 0.69307E-04 -0.19280E-04 3888 0.338E-02 0.116E-01 RMM: 6 -0.341214236634E+03 0.90805E-04 -0.50940E-05 3239 0.214E-02 0.315E-02 RMM: 7 -0.341214241597E+03 -0.49636E-05 -0.19133E-05 2534 0.133E-02 1640 T= 6160. E= 0.67462711E+03 F= 0.61505475E+03 E0= 0.64321060E+03 EK= 0.50166E+02 SP= 0.93E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341065479421E+03 0.14876E+00 -0.11524E-01 8224 0.234E+01 0.209E-01 RMM: 2 -0.341083804923E+03 -0.18326E-01 -0.11663E-01 5130 0.744E-01 0.108E+00 RMM: 3 -0.341075084425E+03 0.87205E-02 -0.11117E-02 5697 0.215E-01 0.176E-01 RMM: 4 -0.341074817021E+03 0.26740E-03 -0.83432E-04 4747 0.616E-02 0.104E-01 RMM: 5 -0.341074745416E+03 0.71605E-04 -0.10849E-04 3815 0.264E-02 0.733E-02 RMM: 6 -0.341074717676E+03 0.27741E-04 -0.23985E-05 2568 0.149E-02 0.517E-02 RMM: 7 -0.341074711711E+03 0.59641E-05 -0.27284E-05 2608 0.156E-02 1641 T= 6121. E= 0.67462617E+03 F= 0.61519428E+03 E0= 0.64338568E+03 EK= 0.49842E+02 SP= 0.95E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340792222802E+03 0.28249E+00 -0.12631E-01 8528 0.233E+01 0.173E-01 RMM: 2 -0.340807501946E+03 -0.15279E-01 -0.12780E-01 5027 0.779E-01 0.731E-01 RMM: 3 -0.340803023989E+03 0.44780E-02 -0.11777E-02 5934 0.212E-01 0.140E-01 RMM: 4 -0.340802802919E+03 0.22107E-03 -0.65255E-04 4838 0.551E-02 0.105E-01 RMM: 5 -0.340802732202E+03 0.70716E-04 -0.83324E-05 3624 0.248E-02 0.645E-02 RMM: 6 -0.340802714516E+03 0.17687E-04 -0.22694E-05 2559 0.146E-02 1642 T= 6066. E= 0.67462644E+03 F= 0.61546627E+03 E0= 0.64369671E+03 EK= 0.49402E+02 SP= 0.97E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340384371775E+03 0.41836E+00 -0.14146E-01 8648 0.231E+01 0.211E-01 RMM: 2 -0.340406449070E+03 -0.22077E-01 -0.15739E-01 4955 0.864E-01 0.106E+00 RMM: 3 -0.340397756904E+03 0.86922E-02 -0.15258E-02 5732 0.250E-01 0.199E-01 RMM: 4 -0.340397363572E+03 0.39333E-03 -0.10191E-03 4936 0.668E-02 0.915E-02 RMM: 5 -0.340397308976E+03 0.54596E-04 -0.11557E-04 4167 0.262E-02 0.763E-02 RMM: 6 -0.340397287613E+03 0.21363E-04 -0.22765E-05 2553 0.143E-02 0.601E-02 RMM: 7 -0.340397291525E+03 -0.39121E-05 -0.33145E-05 2701 0.169E-02 1643 T= 5998. E= 0.67462729E+03 F= 0.61587170E+03 E0= 0.64414265E+03 EK= 0.48846E+02 SP= 0.99E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339860996578E+03 0.53629E+00 -0.14857E-01 8776 0.230E+01 0.229E-01 RMM: 2 -0.339881659440E+03 -0.20663E-01 -0.14297E-01 5086 0.815E-01 0.107E+00 RMM: 3 -0.339872758510E+03 0.89009E-02 -0.12568E-02 5652 0.236E-01 0.215E-01 RMM: 4 -0.339872432466E+03 0.32604E-03 -0.11262E-03 4748 0.738E-02 0.132E-01 RMM: 5 -0.339872380173E+03 0.52293E-04 -0.17855E-04 3887 0.340E-02 0.103E-01 RMM: 6 -0.339872312192E+03 0.67981E-04 -0.48975E-05 3186 0.209E-02 0.343E-02 RMM: 7 -0.339872317192E+03 -0.49996E-05 -0.16566E-05 2518 0.127E-02 1644 T= 5918. E= 0.67462931E+03 F= 0.61639667E+03 E0= 0.64470829E+03 EK= 0.48191E+02 SP= 0.10E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339242291818E+03 0.63002E+00 -0.16355E-01 8784 0.228E+01 0.188E-01 RMM: 2 -0.339263696652E+03 -0.21405E-01 -0.16855E-01 5073 0.883E-01 0.910E-01 RMM: 3 -0.339256727389E+03 0.69693E-02 -0.14890E-02 5837 0.239E-01 0.178E-01 RMM: 4 -0.339256355299E+03 0.37209E-03 -0.86488E-04 4862 0.643E-02 0.952E-02 RMM: 5 -0.339256296456E+03 0.58843E-04 -0.11477E-04 3958 0.269E-02 0.710E-02 RMM: 6 -0.339256273844E+03 0.22612E-04 -0.24467E-05 2559 0.148E-02 0.486E-02 RMM: 7 -0.339256273928E+03 -0.84578E-07 -0.23345E-05 2570 0.142E-02 1645 T= 5829. E= 0.67463208E+03 F= 0.61701272E+03 E0= 0.64536199E+03 EK= 0.47467E+02 SP= 0.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338577349984E+03 0.67892E+00 -0.15865E-01 8888 0.226E+01 0.181E-01 RMM: 2 -0.338595120166E+03 -0.17770E-01 -0.13979E-01 5263 0.794E-01 0.859E-01 RMM: 3 -0.338589044257E+03 0.60759E-02 -0.11036E-02 5831 0.212E-01 0.162E-01 RMM: 4 -0.338588778331E+03 0.26593E-03 -0.69556E-04 4898 0.560E-02 0.912E-02 RMM: 5 -0.338588739816E+03 0.38515E-04 -0.90768E-05 3605 0.259E-02 0.674E-02 RMM: 6 -0.338588716013E+03 0.23803E-04 -0.24334E-05 2590 0.151E-02 0.407E-02 RMM: 7 -0.338588719198E+03 -0.31849E-05 -0.19105E-05 2509 0.135E-02 1646 T= 5737. E= 0.67463478E+03 F= 0.61768027E+03 E0= 0.64606411E+03 EK= 0.46717E+02 SP= 0.10E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337904288804E+03 0.68443E+00 -0.15360E-01 8872 0.225E+01 0.176E-01 RMM: 2 -0.337921663876E+03 -0.17375E-01 -0.13833E-01 5300 0.789E-01 0.821E-01 RMM: 3 -0.337915957366E+03 0.57065E-02 -0.10792E-02 5807 0.209E-01 0.171E-01 RMM: 4 -0.337915695793E+03 0.26157E-03 -0.71282E-04 4778 0.585E-02 0.101E-01 RMM: 5 -0.337915631618E+03 0.64176E-04 -0.10068E-04 3689 0.261E-02 0.647E-02 RMM: 6 -0.337915610447E+03 0.21171E-04 -0.23416E-05 2583 0.147E-02 0.389E-02 RMM: 7 -0.337915611447E+03 -0.10002E-05 -0.17468E-05 2495 0.128E-02 1647 T= 5647. E= 0.67463781E+03 F= 0.61835338E+03 E0= 0.64676761E+03 EK= 0.45988E+02 SP= 0.10E+02 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337275527823E+03 0.64008E+00 -0.14871E-01 8992 0.223E+01 0.185E-01 RMM: 2 -0.337293374950E+03 -0.17847E-01 -0.13616E-01 5180 0.806E-01 0.904E-01 RMM: 3 -0.337287102622E+03 0.62723E-02 -0.11662E-02 5924 0.215E-01 0.182E-01 RMM: 4 -0.337286743891E+03 0.35873E-03 -0.69286E-04 4806 0.576E-02 0.842E-02 RMM: 5 -0.337286711840E+03 0.32051E-04 -0.96254E-05 3675 0.257E-02 0.683E-02 RMM: 6 -0.337286688495E+03 0.23345E-04 -0.24531E-05 2604 0.152E-02 0.435E-02 RMM: 7 -0.337286693516E+03 -0.50215E-05 -0.28935E-05 2612 0.160E-02 1648 T= 5567. E= 0.67464092E+03 F= 0.61898230E+03 E0= 0.64742362E+03 EK= 0.45332E+02 SP= 0.10E+02 SK= 0.54E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336743575798E+03 0.54311E+00 -0.13645E-01 8920 0.222E+01 0.185E-01 RMM: 2 -0.336760460469E+03 -0.16885E-01 -0.12666E-01 5218 0.777E-01 0.882E-01 RMM: 3 -0.336754218054E+03 0.62424E-02 -0.11141E-02 5863 0.208E-01 0.171E-01 RMM: 4 -0.336753938887E+03 0.27917E-03 -0.71936E-04 4739 0.594E-02 0.103E-01 RMM: 5 -0.336753873157E+03 0.65730E-04 -0.10219E-04 3679 0.257E-02 0.635E-02 RMM: 6 -0.336753851939E+03 0.21217E-04 -0.22427E-05 2571 0.145E-02 0.352E-02 RMM: 7 -0.336753853202E+03 -0.12625E-05 -0.14964E-05 2492 0.120E-02 1649 T= 5502. E= 0.67464422E+03 F= 0.61951514E+03 E0= 0.64798098E+03 EK= 0.44804E+02 SP= 0.10E+02 SK= 0.85E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336359014852E+03 0.39484E+00 -0.12352E-01 8704 0.222E+01 0.168E-01 RMM: 2 -0.336373899944E+03 -0.14885E-01 -0.11724E-01 5255 0.751E-01 0.809E-01 RMM: 3 -0.336368918813E+03 0.49811E-02 -0.10262E-02 5984 0.196E-01 0.166E-01 RMM: 4 -0.336368606720E+03 0.31209E-03 -0.55936E-04 4711 0.523E-02 0.847E-02 RMM: 5 -0.336368559691E+03 0.47029E-04 -0.73299E-05 3519 0.228E-02 0.654E-02 RMM: 6 -0.336368541700E+03 0.17991E-04 -0.22085E-05 2556 0.146E-02 1650 T= 5459. E= 0.67464760E+03 F= 0.61990045E+03 E0= 0.64838918E+03 EK= 0.44455E+02 SP= 0.10E+02 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336170439488E+03 0.19812E+00 -0.11128E-01 8456 0.222E+01 0.217E-01 RMM: 2 -0.336187423309E+03 -0.16984E-01 -0.10315E-01 5248 0.708E-01 0.108E+00 RMM: 3 -0.336178781691E+03 0.86416E-02 -0.10358E-02 5531 0.219E-01 0.194E-01 RMM: 4 -0.336178480995E+03 0.30070E-03 -0.88696E-04 5112 0.568E-02 0.795E-02 RMM: 5 -0.336178435276E+03 0.45720E-04 -0.73988E-05 3529 0.233E-02 0.657E-02 RMM: 6 -0.336178420462E+03 0.14814E-04 -0.17637E-05 2525 0.126E-02 1651 T= 5444. E= 0.67465011E+03 F= 0.62009057E+03 E0= 0.64860089E+03 EK= 0.44334E+02 SP= 0.10E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336212487903E+03 -0.34053E-01 -0.10402E-01 8392 0.223E+01 0.311E-01 RMM: 2 -0.336240694055E+03 -0.28206E-01 -0.92713E-02 5228 0.713E-01 0.175E+00 RMM: 3 -0.336219493302E+03 0.21201E-01 -0.12662E-02 5396 0.268E-01 0.331E-01 RMM: 4 -0.336218663419E+03 0.82988E-03 -0.14978E-03 4686 0.819E-02 0.867E-02 RMM: 5 -0.336218635688E+03 0.27731E-04 -0.17188E-04 4035 0.297E-02 0.845E-02 RMM: 6 -0.336218596200E+03 0.39488E-04 -0.24196E-05 2603 0.151E-02 0.542E-02 RMM: 7 -0.336218603032E+03 -0.68327E-05 -0.20554E-05 2553 0.141E-02 1652 T= 5462. E= 0.67465123E+03 F= 0.62005039E+03 E0= 0.64858129E+03 EK= 0.44476E+02 SP= 0.10E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336497811870E+03 -0.27922E+00 -0.98588E-02 7808 0.224E+01 0.263E-01 RMM: 2 -0.336518336767E+03 -0.20525E-01 -0.77183E-02 5196 0.637E-01 0.144E+00 RMM: 3 -0.336503646819E+03 0.14690E-01 -0.95241E-03 5384 0.229E-01 0.251E-01 RMM: 4 -0.336503308341E+03 0.33848E-03 -0.12865E-03 4656 0.774E-02 0.139E-01 RMM: 5 -0.336503276182E+03 0.32159E-04 -0.20688E-04 3879 0.358E-02 0.132E-01 RMM: 6 -0.336503161380E+03 0.11480E-03 -0.65280E-05 3419 0.243E-02 0.324E-02 RMM: 7 -0.336503163380E+03 -0.20007E-05 -0.17546E-05 2520 0.129E-02 1653 T= 5513. E= 0.67465077E+03 F= 0.61976583E+03 E0= 0.64831608E+03 EK= 0.44895E+02 SP= 0.99E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337014272323E+03 -0.51111E+00 -0.99933E-02 7544 0.226E+01 0.193E-01 RMM: 2 -0.337026881445E+03 -0.12609E-01 -0.73979E-02 5162 0.643E-01 0.985E-01 RMM: 3 -0.337020256185E+03 0.66253E-02 -0.77808E-03 5528 0.190E-01 0.188E-01 RMM: 4 -0.337019983110E+03 0.27307E-03 -0.66623E-04 4690 0.550E-02 0.842E-02 RMM: 5 -0.337019933502E+03 0.49608E-04 -0.89768E-05 3705 0.246E-02 0.704E-02 RMM: 6 -0.337019903769E+03 0.29734E-04 -0.23191E-05 2591 0.148E-02 0.432E-02 RMM: 7 -0.337019897469E+03 0.63001E-05 -0.19967E-05 2513 0.132E-02 1654 T= 5597. E= 0.67464784E+03 F= 0.61924909E+03 E0= 0.64781617E+03 EK= 0.45578E+02 SP= 0.97E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337719124782E+03 -0.69922E+00 -0.10062E-01 7504 0.229E+01 0.157E-01 RMM: 2 -0.337728941766E+03 -0.98170E-02 -0.70401E-02 5057 0.634E-01 0.750E-01 RMM: 3 -0.337725079364E+03 0.38624E-02 -0.76739E-03 5609 0.171E-01 0.132E-01 RMM: 4 -0.337724914040E+03 0.16532E-03 -0.47472E-04 4465 0.481E-02 0.835E-02 RMM: 5 -0.337724870131E+03 0.43910E-04 -0.69422E-05 3472 0.237E-02 0.579E-02 RMM: 6 -0.337724854272E+03 0.15858E-04 -0.22283E-05 2542 0.143E-02 1655 T= 5708. E= 0.67464299E+03 F= 0.61854414E+03 E0= 0.64712473E+03 EK= 0.46480E+02 SP= 0.95E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338538273843E+03 -0.81340E+00 -0.10810E-01 7536 0.232E+01 0.197E-01 RMM: 2 -0.338553713201E+03 -0.15439E-01 -0.92319E-02 5013 0.727E-01 0.106E+00 RMM: 3 -0.338546065875E+03 0.76473E-02 -0.10476E-02 5541 0.207E-01 0.185E-01 RMM: 4 -0.338545792371E+03 0.27350E-03 -0.77575E-04 4737 0.598E-02 0.875E-02 RMM: 5 -0.338545736136E+03 0.56235E-04 -0.10752E-04 3890 0.257E-02 0.670E-02 RMM: 6 -0.338545710953E+03 0.25183E-04 -0.23616E-05 2564 0.147E-02 0.424E-02 RMM: 7 -0.338545707647E+03 0.33063E-05 -0.16515E-05 2488 0.126E-02 1656 T= 5836. E= 0.67463684E+03 F= 0.61772328E+03 E0= 0.64631289E+03 EK= 0.47527E+02 SP= 0.92E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339387422561E+03 -0.84171E+00 -0.10885E-01 7448 0.235E+01 0.207E-01 RMM: 2 -0.339400482843E+03 -0.13060E-01 -0.75329E-02 5069 0.681E-01 0.103E+00 RMM: 3 -0.339393505591E+03 0.69773E-02 -0.83994E-03 5513 0.195E-01 0.205E-01 RMM: 4 -0.339393215932E+03 0.28966E-03 -0.80283E-04 4653 0.639E-02 0.985E-02 RMM: 5 -0.339393162040E+03 0.53892E-04 -0.11916E-04 3819 0.282E-02 0.686E-02 RMM: 6 -0.339393135379E+03 0.26661E-04 -0.23718E-05 2574 0.150E-02 0.335E-02 RMM: 7 -0.339393134443E+03 0.93535E-06 -0.15706E-05 2483 0.124E-02 1657 T= 5972. E= 0.67463039E+03 F= 0.61687585E+03 E0= 0.64546948E+03 EK= 0.48630E+02 SP= 0.89E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340167553783E+03 -0.77442E+00 -0.11485E-01 7688 0.238E+01 0.180E-01 RMM: 2 -0.340179536966E+03 -0.11983E-01 -0.89455E-02 5122 0.721E-01 0.819E-01 RMM: 3 -0.340175098193E+03 0.44388E-02 -0.97647E-03 5813 0.186E-01 0.144E-01 RMM: 4 -0.340174893289E+03 0.20490E-03 -0.58121E-04 4670 0.561E-02 0.123E-01 RMM: 5 -0.340174787332E+03 0.10596E-03 -0.10321E-04 3693 0.268E-02 0.673E-02 RMM: 6 -0.340174765284E+03 0.22048E-04 -0.24192E-05 2569 0.148E-02 0.440E-02 RMM: 7 -0.340174757471E+03 0.78126E-05 -0.19214E-05 2500 0.130E-02 1658 T= 6102. E= 0.67462479E+03 F= 0.61609423E+03 E0= 0.64468624E+03 EK= 0.49692E+02 SP= 0.86E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340803522178E+03 -0.62876E+00 -0.11053E-01 7712 0.240E+01 0.170E-01 RMM: 2 -0.340813438793E+03 -0.99166E-02 -0.79868E-02 5148 0.677E-01 0.707E-01 RMM: 3 -0.340810163199E+03 0.32756E-02 -0.84178E-03 5889 0.174E-01 0.139E-01 RMM: 4 -0.340809960985E+03 0.20221E-03 -0.47908E-04 4503 0.505E-02 0.115E-01 RMM: 5 -0.340809868210E+03 0.92775E-04 -0.84092E-05 3613 0.260E-02 0.544E-02 RMM: 6 -0.340809857722E+03 0.10488E-04 -0.19829E-05 2527 0.131E-02 1659 T= 6217. E= 0.67462114E+03 F= 0.61545913E+03 E0= 0.64404462E+03 EK= 0.50630E+02 SP= 0.83E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341233815462E+03 -0.42395E+00 -0.11534E-01 7680 0.241E+01 0.172E-01 RMM: 2 -0.341247359047E+03 -0.13544E-01 -0.98745E-02 5029 0.741E-01 0.850E-01 RMM: 3 -0.341242331679E+03 0.50274E-02 -0.10963E-02 5812 0.198E-01 0.150E-01 RMM: 4 -0.341242089639E+03 0.24204E-03 -0.59569E-04 4704 0.548E-02 0.105E-01 RMM: 5 -0.341242001711E+03 0.87928E-04 -0.88989E-05 3686 0.251E-02 0.581E-02 RMM: 6 -0.341241990151E+03 0.11560E-04 -0.20042E-05 2532 0.129E-02 1660 T= 6310. E= 0.67461993E+03 F= 0.61502700E+03 E0= 0.64360243E+03 EK= 0.51382E+02 SP= 0.80E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341437060653E+03 -0.19506E+00 -0.11302E-01 7616 0.241E+01 0.250E-01 RMM: 2 -0.341456352061E+03 -0.19291E-01 -0.81941E-02 5220 0.695E-01 0.137E+00 RMM: 3 -0.341443341525E+03 0.13011E-01 -0.95667E-03 5443 0.224E-01 0.221E-01 RMM: 4 -0.341442983189E+03 0.35834E-03 -0.10108E-03 4679 0.672E-02 0.855E-02 RMM: 5 -0.341442938794E+03 0.44396E-04 -0.12352E-04 3918 0.275E-02 0.736E-02 RMM: 6 -0.341442910731E+03 0.28063E-04 -0.24590E-05 2592 0.154E-02 0.450E-02 RMM: 7 -0.341442911463E+03 -0.73262E-06 -0.23186E-05 2533 0.148E-02 1661 T= 6375. E= 0.67462025E+03 F= 0.61482608E+03 E0= 0.64338870E+03 EK= 0.51917E+02 SP= 0.76E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341402927279E+03 0.39983E-01 -0.11908E-01 7616 0.241E+01 0.218E-01 RMM: 2 -0.341417696899E+03 -0.14770E-01 -0.10241E-01 4950 0.763E-01 0.958E-01 RMM: 3 -0.341411320356E+03 0.63765E-02 -0.11824E-02 5622 0.227E-01 0.201E-01 RMM: 4 -0.341411045828E+03 0.27453E-03 -0.94455E-04 4700 0.664E-02 0.120E-01 RMM: 5 -0.341410968241E+03 0.77588E-04 -0.14231E-04 3842 0.302E-02 0.807E-02 RMM: 6 -0.341410927166E+03 0.41075E-04 -0.29667E-05 2782 0.167E-02 0.315E-02 RMM: 7 -0.341410928139E+03 -0.97269E-06 -0.15029E-05 2485 0.123E-02 1662 T= 6413. E= 0.67462223E+03 F= 0.61485806E+03 E0= 0.64340595E+03 EK= 0.52227E+02 SP= 0.73E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341160776135E+03 0.25015E+00 -0.11794E-01 7856 0.240E+01 0.155E-01 RMM: 2 -0.341172126603E+03 -0.11350E-01 -0.88395E-02 5130 0.680E-01 0.734E-01 RMM: 3 -0.341168030031E+03 0.40966E-02 -0.84412E-03 5892 0.180E-01 0.129E-01 RMM: 4 -0.341167863415E+03 0.16662E-03 -0.45259E-04 4493 0.478E-02 0.926E-02 RMM: 5 -0.341167798696E+03 0.64719E-04 -0.65189E-05 3419 0.231E-02 0.549E-02 RMM: 6 -0.341167785368E+03 0.13327E-04 -0.20963E-05 2524 0.139E-02 1663 T= 6426. E= 0.67462551E+03 F= 0.61510120E+03 E0= 0.64363287E+03 EK= 0.52332E+02 SP= 0.69E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340743622566E+03 0.42418E+00 -0.11947E-01 7792 0.239E+01 0.198E-01 RMM: 2 -0.340759267227E+03 -0.15645E-01 -0.90600E-02 5102 0.696E-01 0.107E+00 RMM: 3 -0.340750855763E+03 0.84115E-02 -0.95704E-03 5568 0.210E-01 0.178E-01 RMM: 4 -0.340750595855E+03 0.25991E-03 -0.71221E-04 4814 0.544E-02 0.696E-02 RMM: 5 -0.340750563665E+03 0.32190E-04 -0.74509E-05 3552 0.241E-02 0.632E-02 RMM: 6 -0.340750545026E+03 0.18639E-04 -0.21027E-05 2532 0.139E-02 1664 T= 6418. E= 0.67462971E+03 F= 0.61551844E+03 E0= 0.64403263E+03 EK= 0.52267E+02 SP= 0.66E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340199670235E+03 0.55089E+00 -0.11745E-01 7632 0.238E+01 0.276E-01 RMM: 2 -0.340225548874E+03 -0.25879E-01 -0.99333E-02 4983 0.756E-01 0.159E+00 RMM: 3 -0.340207510357E+03 0.18039E-01 -0.13242E-02 5402 0.268E-01 0.255E-01 RMM: 4 -0.340207031261E+03 0.47910E-03 -0.12975E-03 4780 0.733E-02 0.855E-02 RMM: 5 -0.340206998539E+03 0.32722E-04 -0.13524E-04 3963 0.292E-02 0.820E-02 RMM: 6 -0.340206959305E+03 0.39234E-04 -0.25256E-05 2583 0.151E-02 0.493E-02 RMM: 7 -0.340206963046E+03 -0.37405E-05 -0.22935E-05 2545 0.150E-02 1665 T= 6395. E= 0.67463431E+03 F= 0.61606203E+03 E0= 0.64455650E+03 EK= 0.52078E+02 SP= 0.62E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339582824357E+03 0.62413E+00 -0.11326E-01 7496 0.237E+01 0.271E-01 RMM: 2 -0.339606715985E+03 -0.23892E-01 -0.11129E-01 4865 0.788E-01 0.143E+00 RMM: 3 -0.339591892489E+03 0.14823E-01 -0.14314E-02 5416 0.270E-01 0.296E-01 RMM: 4 -0.339591308617E+03 0.58387E-03 -0.15418E-03 4951 0.853E-02 0.110E-01 RMM: 5 -0.339591380876E+03 -0.72259E-04 -0.23801E-04 3911 0.377E-02 0.152E-01 RMM: 6 -0.339591224830E+03 0.15605E-03 -0.75477E-05 3483 0.254E-02 0.323E-02 RMM: 7 -0.339591227227E+03 -0.23971E-05 -0.19240E-05 2541 0.134E-02 1666 T= 6363. E= 0.67463914E+03 F= 0.61667776E+03 E0= 0.64515030E+03 EK= 0.51820E+02 SP= 0.59E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338946157396E+03 0.64507E+00 -0.11484E-01 7672 0.236E+01 0.217E-01 RMM: 2 -0.338966603703E+03 -0.20446E-01 -0.11727E-01 4900 0.802E-01 0.120E+00 RMM: 3 -0.338956009708E+03 0.10594E-01 -0.13330E-02 5558 0.240E-01 0.168E-01 RMM: 4 -0.338955775893E+03 0.23382E-03 -0.90568E-04 4801 0.641E-02 0.113E-01 RMM: 5 -0.338955685154E+03 0.90739E-04 -0.11714E-04 3935 0.290E-02 0.660E-02 RMM: 6 -0.338955661055E+03 0.24099E-04 -0.25959E-05 2564 0.151E-02 0.464E-02 RMM: 7 -0.338955656487E+03 0.45679E-05 -0.26200E-05 2591 0.152E-02 1667 T= 6330. E= 0.67464359E+03 F= 0.61731333E+03 E0= 0.64576255E+03 EK= 0.51545E+02 SP= 0.55E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338334761969E+03 0.62090E+00 -0.11847E-01 7728 0.235E+01 0.158E-01 RMM: 2 -0.338347651984E+03 -0.12890E-01 -0.10970E-01 4811 0.798E-01 0.661E-01 RMM: 3 -0.338344411996E+03 0.32400E-02 -0.12671E-02 5997 0.214E-01 0.151E-01 RMM: 4 -0.338344108138E+03 0.30386E-03 -0.57152E-04 4709 0.575E-02 0.887E-02 RMM: 5 -0.338344061571E+03 0.46567E-04 -0.82056E-05 3532 0.273E-02 0.576E-02 RMM: 6 -0.338344048228E+03 0.13342E-04 -0.23199E-05 2540 0.148E-02 1668 T= 6299. E= 0.67464714E+03 F= 0.61792494E+03 E0= 0.64634999E+03 EK= 0.51297E+02 SP= 0.51E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337775245045E+03 0.56882E+00 -0.10969E-01 7584 0.234E+01 0.209E-01 RMM: 2 -0.337793405824E+03 -0.18161E-01 -0.10906E-01 4820 0.793E-01 0.112E+00 RMM: 3 -0.337784556966E+03 0.88489E-02 -0.12666E-02 5557 0.237E-01 0.187E-01 RMM: 4 -0.337784271030E+03 0.28594E-03 -0.87440E-04 4744 0.637E-02 0.921E-02 RMM: 5 -0.337784217901E+03 0.53129E-04 -0.11052E-04 4013 0.283E-02 0.652E-02 RMM: 6 -0.337784199266E+03 0.18635E-04 -0.23778E-05 2553 0.142E-02 1669 T= 6276. E= 0.67464934E+03 F= 0.61848479E+03 E0= 0.64688718E+03 EK= 0.51106E+02 SP= 0.48E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337272065181E+03 0.51215E+00 -0.10688E-01 7496 0.234E+01 0.322E-01 RMM: 2 -0.337302691862E+03 -0.30627E-01 -0.10775E-01 4868 0.820E-01 0.181E+00 RMM: 3 -0.337280631975E+03 0.22060E-01 -0.15748E-02 5378 0.300E-01 0.325E-01 RMM: 4 -0.337279829308E+03 0.80267E-03 -0.17127E-03 4962 0.856E-02 0.756E-02 RMM: 5 -0.337279832690E+03 -0.33819E-05 -0.19160E-04 4033 0.309E-02 1670 T= 6260. E= 0.67465041E+03 F= 0.61898916E+03 E0= 0.64737303E+03 EK= 0.50976E+02 SP= 0.44E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336796935497E+03 0.48289E+00 -0.10547E-01 7712 0.234E+01 0.190E-01 RMM: 2 -0.336811335196E+03 -0.14400E-01 -0.90758E-02 4959 0.702E-01 0.951E-01 RMM: 3 -0.336804815886E+03 0.65193E-02 -0.10122E-02 5438 0.219E-01 0.216E-01 RMM: 4 -0.336804507366E+03 0.30852E-03 -0.85397E-04 4763 0.608E-02 0.890E-02 RMM: 5 -0.336804467792E+03 0.39574E-04 -0.10283E-04 3853 0.267E-02 0.741E-02 RMM: 6 -0.336804444648E+03 0.23144E-04 -0.24087E-05 2558 0.147E-02 0.518E-02 RMM: 7 -0.336804469424E+03 -0.24776E-04 -0.40240E-05 2953 0.180E-02 0.872E-02 RMM: 8 -0.336804424638E+03 0.44786E-04 -0.78575E-05 3875 0.220E-02 0.290E-02 RMM: 9 -0.336804423067E+03 0.15706E-05 -0.12446E-05 2485 0.106E-02 1671 T= 6248. E= 0.67464989E+03 F= 0.61946457E+03 E0= 0.64783622E+03 EK= 0.50882E+02 SP= 0.40E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336300948456E+03 0.50348E+00 -0.10995E-01 7752 0.234E+01 0.233E-01 RMM: 2 -0.336315725678E+03 -0.14777E-01 -0.10318E-01 4790 0.774E-01 0.962E-01 RMM: 3 -0.336309520610E+03 0.62051E-02 -0.12254E-02 5774 0.217E-01 0.173E-01 RMM: 4 -0.336309396618E+03 0.12399E-03 -0.97457E-04 4704 0.746E-02 0.193E-01 RMM: 5 -0.336309202654E+03 0.19396E-03 -0.20676E-04 3881 0.383E-02 0.102E-01 RMM: 6 -0.336309136856E+03 0.65798E-04 -0.60082E-05 3338 0.233E-02 0.329E-02 RMM: 7 -0.336309155543E+03 -0.18687E-04 -0.25688E-05 2595 0.157E-02 1672 T= 6235. E= 0.67464660E+03 F= 0.61995983E+03 E0= 0.64832604E+03 EK= 0.50773E+02 SP= 0.36E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335724676341E+03 0.58446E+00 -0.11372E-01 8248 0.235E+01 0.156E-01 RMM: 2 -0.335736464996E+03 -0.11789E-01 -0.10141E-01 4987 0.745E-01 0.652E-01 RMM: 3 -0.335733478008E+03 0.29870E-02 -0.11267E-02 6074 0.195E-01 0.132E-01 RMM: 4 -0.335733197362E+03 0.28065E-03 -0.49179E-04 4824 0.506E-02 0.869E-02 RMM: 5 -0.335733145661E+03 0.51701E-04 -0.63112E-05 3313 0.240E-02 0.554E-02 RMM: 6 -0.335733137902E+03 0.77584E-05 -0.19517E-05 2520 0.131E-02 1673 T= 6213. E= 0.67464431E+03 F= 0.62053585E+03 E0= 0.64890363E+03 EK= 0.50593E+02 SP= 0.32E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335011816414E+03 0.72133E+00 -0.12582E-01 7824 0.235E+01 0.198E-01 RMM: 2 -0.335033463829E+03 -0.21647E-01 -0.13547E-01 4753 0.849E-01 0.116E+00 RMM: 3 -0.335023720253E+03 0.97436E-02 -0.15724E-02 5707 0.245E-01 0.169E-01 RMM: 4 -0.335023366405E+03 0.35385E-03 -0.93560E-04 5238 0.616E-02 0.848E-02 RMM: 5 -0.335023321188E+03 0.45218E-04 -0.93946E-05 3691 0.282E-02 0.681E-02 RMM: 6 -0.335023311440E+03 0.97479E-05 -0.23988E-05 2552 0.143E-02 1674 T= 6175. E= 0.67464324E+03 F= 0.62124568E+03 E0= 0.64962152E+03 EK= 0.50290E+02 SP= 0.27E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334140613301E+03 0.88271E+00 -0.12099E-01 8200 0.235E+01 0.344E-01 RMM: 2 -0.334174724930E+03 -0.34112E-01 -0.10785E-01 5053 0.767E-01 0.193E+00 RMM: 3 -0.334148731073E+03 0.25994E-01 -0.16195E-02 5364 0.304E-01 0.318E-01 RMM: 4 -0.334148002861E+03 0.72821E-03 -0.18404E-03 4853 0.866E-02 0.967E-02 RMM: 5 -0.334147984470E+03 0.18392E-04 -0.21092E-04 3927 0.350E-02 0.101E-01 RMM: 6 -0.334147918962E+03 0.65508E-04 -0.44621E-05 3101 0.201E-02 0.425E-02 RMM: 7 -0.334147923390E+03 -0.44276E-05 -0.19126E-05 2531 0.136E-02 1675 T= 6119. E= 0.67464478E+03 F= 0.62212107E+03 E0= 0.65050945E+03 EK= 0.49832E+02 SP= 0.23E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333099542277E+03 0.10484E+01 -0.13650E-01 7936 0.234E+01 0.295E-01 RMM: 2 -0.333127923557E+03 -0.28381E-01 -0.12935E-01 4823 0.824E-01 0.158E+00 RMM: 3 -0.333110194442E+03 0.17729E-01 -0.16895E-02 5399 0.295E-01 0.298E-01 RMM: 4 -0.333109578554E+03 0.61589E-03 -0.17275E-03 5041 0.825E-02 0.973E-02 RMM: 5 -0.333109547634E+03 0.30920E-04 -0.19283E-04 3925 0.341E-02 0.946E-02 RMM: 6 -0.333109490935E+03 0.56699E-04 -0.42011E-05 3044 0.189E-02 0.457E-02 RMM: 7 -0.333109494171E+03 -0.32366E-05 -0.20412E-05 2536 0.139E-02 1676 T= 6044. E= 0.67464862E+03 F= 0.62315950E+03 E0= 0.65156331E+03 EK= 0.49222E+02 SP= 0.18E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331936784744E+03 0.11727E+01 -0.13823E-01 8152 0.232E+01 0.254E-01 RMM: 2 -0.331958837658E+03 -0.22053E-01 -0.11710E-01 4968 0.772E-01 0.133E+00 RMM: 3 -0.331946349857E+03 0.12488E-01 -0.13437E-02 5466 0.251E-01 0.258E-01 RMM: 4 -0.331945818346E+03 0.53151E-03 -0.11873E-03 4863 0.701E-02 0.799E-02 RMM: 5 -0.331945798599E+03 0.19747E-04 -0.14102E-04 3874 0.305E-02 1677 T= 5956. E= 0.67465467E+03 F= 0.62432319E+03 E0= 0.65274448E+03 EK= 0.48500E+02 SP= 0.14E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330715147119E+03 0.12307E+01 -0.13093E-01 8080 0.229E+01 0.160E-01 RMM: 2 -0.330728235645E+03 -0.13089E-01 -0.10395E-01 5321 0.696E-01 0.720E-01 RMM: 3 -0.330723924145E+03 0.43115E-02 -0.90400E-03 5698 0.191E-01 0.169E-01 RMM: 4 -0.330723666572E+03 0.25757E-03 -0.53739E-04 4832 0.471E-02 0.935E-02 RMM: 5 -0.330723613645E+03 0.52927E-04 -0.51532E-05 2980 0.213E-02 0.804E-02 RMM: 6 -0.330723603940E+03 0.97049E-05 -0.37658E-05 2889 0.178E-02 1678 T= 5861. E= 0.67466129E+03 F= 0.62554539E+03 E0= 0.65398403E+03 EK= 0.47732E+02 SP= 0.87E+00 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329518696280E+03 0.12049E+01 -0.12816E-01 7952 0.227E+01 0.405E-01 RMM: 2 -0.329568326074E+03 -0.49630E-01 -0.11892E-01 4790 0.816E-01 0.244E+00 RMM: 3 -0.329527398368E+03 0.40928E-01 -0.20884E-02 5364 0.350E-01 0.361E-01 RMM: 4 -0.329526465280E+03 0.93309E-03 -0.24372E-03 5262 0.988E-02 0.111E-01 RMM: 5 -0.329526511808E+03 -0.46528E-04 -0.30350E-04 3910 0.386E-02 0.145E-01 RMM: 6 -0.329526381858E+03 0.12995E-03 -0.76955E-05 3503 0.252E-02 0.523E-02 RMM: 7 -0.329526369954E+03 0.11904E-04 -0.20427E-05 2542 0.134E-02 1679 T= 5772. E= 0.67466773E+03 F= 0.62674262E+03 E0= 0.65519884E+03 EK= 0.47004E+02 SP= 0.35E+00 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328431435608E+03 0.10949E+01 -0.12243E-01 8008 0.225E+01 0.405E-01 RMM: 2 -0.328482646630E+03 -0.51211E-01 -0.11523E-01 5019 0.786E-01 0.251E+00 RMM: 3 -0.328439807397E+03 0.42839E-01 -0.20354E-02 5360 0.350E-01 0.394E-01 RMM: 4 -0.328438668427E+03 0.11390E-02 -0.24278E-03 5154 0.101E-01 0.120E-01 RMM: 5 -0.328438638355E+03 0.30072E-04 -0.27840E-04 3910 0.377E-02 0.122E-01 RMM: 6 -0.328438529909E+03 0.10845E-03 -0.59739E-05 3330 0.221E-02 0.496E-02 RMM: 7 -0.328438523682E+03 0.62274E-05 -0.22693E-05 2557 0.138E-02 1680 T= 5698. E= 0.67467370E+03 F= 0.62783047E+03 E0= 0.65630363E+03 EK= 0.46403E+02 SP= -.19E+00 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327525161165E+03 0.91337E+00 -0.11436E-01 8272 0.223E+01 0.287E-01 RMM: 2 -0.327551781130E+03 -0.26620E-01 -0.99508E-02 4981 0.721E-01 0.165E+00 RMM: 3 -0.327532808022E+03 0.18973E-01 -0.13137E-02 5397 0.266E-01 0.275E-01 RMM: 4 -0.327532266602E+03 0.54142E-03 -0.13561E-03 4830 0.731E-02 0.826E-02 RMM: 5 -0.327532251163E+03 0.15439E-04 -0.15425E-04 3841 0.325E-02 1681 T= 5649. E= 0.67467886E+03 F= 0.62873674E+03 E0= 0.65722580E+03 EK= 0.46004E+02 SP= -.77E+00 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326851107795E+03 0.68116E+00 -0.11172E-01 8000 0.222E+01 0.165E-01 RMM: 2 -0.326865477489E+03 -0.14370E-01 -0.10218E-01 5157 0.699E-01 0.865E-01 RMM: 3 -0.326859666931E+03 0.58106E-02 -0.95913E-03 5650 0.197E-01 0.179E-01 RMM: 4 -0.326859379808E+03 0.28712E-03 -0.63851E-04 4783 0.523E-02 0.932E-02 RMM: 5 -0.326859321185E+03 0.58623E-04 -0.70551E-05 3522 0.229E-02 0.770E-02 RMM: 6 -0.326859306664E+03 0.14520E-04 -0.26752E-05 2567 0.152E-02 1682 T= 5632. E= 0.67468243E+03 F= 0.62940968E+03 E0= 0.65791289E+03 EK= 0.45862E+02 SP= -.14E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326442669040E+03 0.41665E+00 -0.10944E-01 8104 0.222E+01 0.347E-01 RMM: 2 -0.326477736627E+03 -0.35068E-01 -0.11174E-01 4854 0.781E-01 0.196E+00 RMM: 3 -0.326451300947E+03 0.26436E-01 -0.17014E-02 5366 0.310E-01 0.340E-01 RMM: 4 -0.326450493903E+03 0.80704E-03 -0.18856E-03 4956 0.863E-02 0.933E-02 RMM: 5 -0.326450491012E+03 0.28907E-05 -0.21991E-04 3914 0.346E-02 0.107E-01 RMM: 6 -0.326450422285E+03 0.68727E-04 -0.44921E-05 3105 0.202E-02 0.463E-02 RMM: 7 -0.326450417709E+03 0.45757E-05 -0.16579E-05 2512 0.128E-02 1683 T= 5650. E= 0.67468388E+03 F= 0.62981857E+03 E0= 0.65833380E+03 EK= 0.46011E+02 SP= -.20E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326308032592E+03 0.14239E+00 -0.10714E-01 8032 0.222E+01 0.425E-01 RMM: 2 -0.326353239551E+03 -0.45207E-01 -0.12004E-01 5028 0.831E-01 0.234E+00 RMM: 3 -0.326316745089E+03 0.36494E-01 -0.20635E-02 5377 0.354E-01 0.466E-01 RMM: 4 -0.326315204611E+03 0.15405E-02 -0.25249E-03 5118 0.105E-01 0.121E-01 RMM: 5 -0.326315200656E+03 0.39549E-05 -0.34184E-04 3905 0.426E-02 0.134E-01 RMM: 6 -0.326315073971E+03 0.12668E-03 -0.83006E-05 3596 0.260E-02 0.487E-02 RMM: 7 -0.326315067580E+03 0.63913E-05 -0.18832E-05 2546 0.125E-02 1684 T= 5706. E= 0.67468302E+03 F= 0.62995392E+03 E0= 0.65847832E+03 EK= 0.46464E+02 SP= -.27E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326427898345E+03 -0.11282E+00 -0.10847E-01 8024 0.224E+01 0.321E-01 RMM: 2 -0.326456497956E+03 -0.28600E-01 -0.10383E-01 4910 0.766E-01 0.173E+00 RMM: 3 -0.326435753023E+03 0.20745E-01 -0.15139E-02 5384 0.291E-01 0.287E-01 RMM: 4 -0.326435171222E+03 0.58180E-03 -0.16279E-03 5032 0.759E-02 0.881E-02 RMM: 5 -0.326435127940E+03 0.43282E-04 -0.16038E-04 3862 0.328E-02 0.857E-02 RMM: 6 -0.326435079741E+03 0.48199E-04 -0.34539E-05 2886 0.179E-02 0.413E-02 RMM: 7 -0.326435080712E+03 -0.97093E-06 -0.16747E-05 2512 0.131E-02 1685 T= 5797. E= 0.67467999E+03 F= 0.62983391E+03 E0= 0.65836421E+03 EK= 0.47204E+02 SP= -.34E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326755630568E+03 -0.32055E+00 -0.10343E-01 8032 0.226E+01 0.190E-01 RMM: 2 -0.326768929725E+03 -0.13299E-01 -0.90607E-02 5004 0.683E-01 0.892E-01 RMM: 3 -0.326763192891E+03 0.57368E-02 -0.96854E-03 5548 0.205E-01 0.211E-01 RMM: 4 -0.326762849478E+03 0.34341E-03 -0.77121E-04 4861 0.579E-02 0.848E-02 RMM: 5 -0.326762813573E+03 0.35905E-04 -0.10811E-04 3764 0.278E-02 0.713E-02 RMM: 6 -0.326762778810E+03 0.34763E-04 -0.25700E-05 2657 0.153E-02 0.378E-02 RMM: 7 -0.326762775276E+03 0.35337E-05 -0.19939E-05 2520 0.137E-02 1686 T= 5917. E= 0.67467483E+03 F= 0.62950621E+03 E0= 0.65803996E+03 EK= 0.48185E+02 SP= -.41E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327212540018E+03 -0.44976E+00 -0.10863E-01 7928 0.229E+01 0.187E-01 RMM: 2 -0.327227549787E+03 -0.15010E-01 -0.10950E-01 4898 0.772E-01 0.895E-01 RMM: 3 -0.327221967389E+03 0.55824E-02 -0.12619E-02 5776 0.215E-01 0.154E-01 RMM: 4 -0.327221664073E+03 0.30332E-03 -0.73518E-04 4912 0.577E-02 0.880E-02 RMM: 5 -0.327221609773E+03 0.54300E-04 -0.91691E-05 3762 0.250E-02 0.700E-02 RMM: 6 -0.327221584494E+03 0.25278E-04 -0.24374E-05 2562 0.150E-02 0.434E-02 RMM: 7 -0.327221576141E+03 0.83535E-05 -0.26930E-05 2603 0.145E-02 1687 T= 6058. E= 0.67466779E+03 F= 0.62904741E+03 E0= 0.65758122E+03 EK= 0.49331E+02 SP= -.49E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327707551629E+03 -0.48597E+00 -0.10981E-01 8144 0.232E+01 0.149E-01 RMM: 2 -0.327719030949E+03 -0.11479E-01 -0.95536E-02 4995 0.703E-01 0.665E-01 RMM: 3 -0.327715703720E+03 0.33272E-02 -0.99972E-03 6024 0.189E-01 0.153E-01 RMM: 4 -0.327715428623E+03 0.27510E-03 -0.51126E-04 4502 0.521E-02 0.937E-02 RMM: 5 -0.327715364423E+03 0.64200E-04 -0.76566E-05 3487 0.252E-02 0.614E-02 RMM: 6 -0.327715351945E+03 0.12479E-04 -0.21140E-05 2535 0.136E-02 1688 T= 6207. E= 0.67466101E+03 F= 0.62855364E+03 E0= 0.65708462E+03 EK= 0.50545E+02 SP= -.56E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328138300374E+03 -0.42294E+00 -0.10993E-01 8320 0.236E+01 0.201E-01 RMM: 2 -0.328154808891E+03 -0.16509E-01 -0.10309E-01 5043 0.729E-01 0.105E+00 RMM: 3 -0.328147084246E+03 0.77246E-02 -0.11627E-02 5622 0.219E-01 0.206E-01 RMM: 4 -0.328146722757E+03 0.36149E-03 -0.85424E-04 5024 0.585E-02 0.914E-02 RMM: 5 -0.328146668442E+03 0.54315E-04 -0.86800E-05 3659 0.250E-02 0.757E-02 RMM: 6 -0.328146652689E+03 0.15753E-04 -0.20401E-05 2526 0.133E-02 1689 T= 6352. E= 0.67465503E+03 F= 0.62812234E+03 E0= 0.65664760E+03 EK= 0.51726E+02 SP= -.64E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328419874418E+03 -0.27321E+00 -0.10764E-01 8352 0.239E+01 0.348E-01 RMM: 2 -0.328455301353E+03 -0.35427E-01 -0.96088E-02 5147 0.744E-01 0.204E+00 RMM: 3 -0.328426950025E+03 0.28351E-01 -0.15505E-02 5374 0.306E-01 0.350E-01 RMM: 4 -0.328426086654E+03 0.86337E-03 -0.18739E-03 4845 0.883E-02 0.991E-02 RMM: 5 -0.328426042087E+03 0.44567E-04 -0.19949E-04 4116 0.314E-02 0.968E-02 RMM: 6 -0.328425993207E+03 0.48880E-04 -0.30869E-05 2637 0.174E-02 0.642E-02 RMM: 7 -0.328425999510E+03 -0.63034E-05 -0.31650E-05 2720 0.170E-02 1690 T= 6481. E= 0.67465000E+03 F= 0.62784299E+03 E0= 0.65636059E+03 EK= 0.52777E+02 SP= -.72E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328467755277E+03 -0.41762E-01 -0.11108E-01 8344 0.242E+01 0.318E-01 RMM: 2 -0.328496481696E+03 -0.28726E-01 -0.92621E-02 5150 0.708E-01 0.176E+00 RMM: 3 -0.328474624121E+03 0.21858E-01 -0.13434E-02 5390 0.278E-01 0.342E-01 RMM: 4 -0.328473894442E+03 0.72968E-03 -0.18464E-03 4875 0.927E-02 0.139E-01 RMM: 5 -0.328473945736E+03 -0.51293E-04 -0.29072E-04 3892 0.426E-02 0.169E-01 RMM: 6 -0.328473748942E+03 0.19679E-03 -0.99589E-05 3713 0.290E-02 0.359E-02 RMM: 7 -0.328473753365E+03 -0.44227E-05 -0.23497E-05 2610 0.144E-02 1691 T= 6584. E= 0.67464570E+03 F= 0.62779524E+03 E0= 0.65630321E+03 EK= 0.53612E+02 SP= -.80E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328210182391E+03 0.26357E+00 -0.11708E-01 8280 0.244E+01 0.256E-01 RMM: 2 -0.328235341747E+03 -0.25159E-01 -0.98560E-02 5089 0.729E-01 0.156E+00 RMM: 3 -0.328217962485E+03 0.17379E-01 -0.11993E-02 5445 0.247E-01 0.213E-01 RMM: 4 -0.328217653001E+03 0.30948E-03 -0.11985E-03 4930 0.669E-02 0.101E-01 RMM: 5 -0.328217576607E+03 0.76394E-04 -0.12605E-04 3816 0.297E-02 0.762E-02 RMM: 6 -0.328217542985E+03 0.33621E-04 -0.28625E-05 2644 0.160E-02 0.525E-02 RMM: 7 -0.328217536960E+03 0.60256E-05 -0.24149E-05 2548 0.150E-02 1692 T= 6650. E= 0.67464308E+03 F= 0.62805145E+03 E0= 0.65654710E+03 EK= 0.54152E+02 SP= -.88E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327593619595E+03 0.62392E+00 -0.11968E-01 8344 0.245E+01 0.155E-01 RMM: 2 -0.327606342360E+03 -0.12723E-01 -0.99093E-02 4935 0.718E-01 0.752E-01 RMM: 3 -0.327602035422E+03 0.43069E-02 -0.10615E-02 5970 0.198E-01 0.169E-01 RMM: 4 -0.327601724352E+03 0.31107E-03 -0.56801E-04 4644 0.539E-02 0.762E-02 RMM: 5 -0.327601688531E+03 0.35820E-04 -0.75633E-05 3572 0.241E-02 0.618E-02 RMM: 6 -0.327601672886E+03 0.15645E-04 -0.20679E-05 2534 0.138E-02 1693 T= 6672. E= 0.67464177E+03 F= 0.62866732E+03 E0= 0.65715214E+03 EK= 0.54334E+02 SP= -.96E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326581529607E+03 0.10202E+01 -0.12853E-01 7920 0.246E+01 0.175E-01 RMM: 2 -0.326599997657E+03 -0.18468E-01 -0.14490E-01 4788 0.865E-01 0.863E-01 RMM: 3 -0.326594368566E+03 0.56291E-02 -0.16839E-02 5986 0.236E-01 0.170E-01 RMM: 4 -0.326593917293E+03 0.45127E-03 -0.76022E-04 4952 0.610E-02 0.912E-02 RMM: 5 -0.326593863279E+03 0.54015E-04 -0.88686E-05 3781 0.252E-02 0.721E-02 RMM: 6 -0.326593849700E+03 0.13579E-04 -0.19930E-05 2519 0.134E-02 1694 T= 6646. E= 0.67464306E+03 F= 0.62967514E+03 E0= 0.65815096E+03 EK= 0.54119E+02 SP= -.10E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325194180439E+03 0.13997E+01 -0.12203E-01 8048 0.245E+01 0.318E-01 RMM: 2 -0.325224435247E+03 -0.30255E-01 -0.12470E-01 4855 0.818E-01 0.171E+00 RMM: 3 -0.325204171863E+03 0.20263E-01 -0.16842E-02 5444 0.298E-01 0.359E-01 RMM: 4 -0.325203207374E+03 0.96449E-03 -0.18325E-03 4984 0.885E-02 0.931E-02 RMM: 5 -0.325203180419E+03 0.26954E-04 -0.22744E-04 4585 0.293E-02 0.863E-02 RMM: 6 -0.325203145041E+03 0.35378E-04 -0.21736E-05 2575 0.139E-02 0.651E-02 RMM: 7 -0.325203160136E+03 -0.15095E-04 -0.29416E-05 2737 0.165E-02 1695 T= 6571. E= 0.67464779E+03 F= 0.63106583E+03 E0= 0.65953735E+03 EK= 0.53512E+02 SP= -.11E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323477025551E+03 0.17261E+01 -0.12530E-01 8256 0.243E+01 0.319E-01 RMM: 2 -0.323508697091E+03 -0.31672E-01 -0.13234E-01 4803 0.820E-01 0.171E+00 RMM: 3 -0.323487541805E+03 0.21155E-01 -0.17195E-02 5404 0.302E-01 0.309E-01 RMM: 4 -0.323486976984E+03 0.56482E-03 -0.21329E-03 5221 0.951E-02 0.159E-01 RMM: 5 -0.323486991313E+03 -0.14329E-04 -0.32324E-04 3934 0.433E-02 0.166E-01 RMM: 6 -0.323486803745E+03 0.18757E-03 -0.10132E-04 3668 0.284E-02 0.411E-02 RMM: 7 -0.323486809062E+03 -0.53170E-05 -0.25878E-05 2652 0.149E-02 1696 T= 6456. E= 0.67465595E+03 F= 0.63278218E+03 E0= 0.66125472E+03 EK= 0.52570E+02 SP= -.12E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321534073701E+03 0.19527E+01 -0.12274E-01 7912 0.241E+01 0.246E-01 RMM: 2 -0.321557703598E+03 -0.23630E-01 -0.12464E-01 4980 0.791E-01 0.136E+00 RMM: 3 -0.321544125956E+03 0.13578E-01 -0.13890E-02 5517 0.259E-01 0.227E-01 RMM: 4 -0.321543730822E+03 0.39513E-03 -0.12597E-03 5019 0.695E-02 0.987E-02 RMM: 5 -0.321543663032E+03 0.67790E-04 -0.12562E-04 3834 0.290E-02 0.830E-02 RMM: 6 -0.321543627517E+03 0.35516E-04 -0.27506E-05 2591 0.156E-02 0.581E-02 RMM: 7 -0.321543624076E+03 0.34402E-05 -0.23550E-05 2593 0.145E-02 1697 T= 6311. E= 0.67466606E+03 F= 0.63472537E+03 E0= 0.66320580E+03 EK= 0.51389E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319493075167E+03 0.20506E+01 -0.11866E-01 8304 0.238E+01 0.179E-01 RMM: 2 -0.319507339391E+03 -0.14264E-01 -0.10116E-01 5034 0.718E-01 0.880E-01 RMM: 3 -0.319501478641E+03 0.58607E-02 -0.10357E-02 5718 0.210E-01 0.170E-01 RMM: 4 -0.319501215390E+03 0.26325E-03 -0.68438E-04 4880 0.548E-02 0.854E-02 RMM: 5 -0.319501181633E+03 0.33757E-04 -0.86580E-05 3609 0.262E-02 0.663E-02 RMM: 6 -0.319501158689E+03 0.22944E-04 -0.22931E-05 2576 0.146E-02 0.435E-02 RMM: 7 -0.319501162726E+03 -0.40374E-05 -0.20010E-05 2521 0.138E-02 1698 T= 6152. E= 0.67467670E+03 F= 0.63676783E+03 E0= 0.66526127E+03 EK= 0.50099E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317486212632E+03 0.20149E+01 -0.11850E-01 7992 0.235E+01 0.183E-01 RMM: 2 -0.317501228679E+03 -0.15016E-01 -0.11547E-01 4875 0.783E-01 0.841E-01 RMM: 3 -0.317495996461E+03 0.52322E-02 -0.12741E-02 5961 0.216E-01 0.160E-01 RMM: 4 -0.317495720221E+03 0.27624E-03 -0.70077E-04 4730 0.613E-02 0.130E-01 RMM: 5 -0.317495625333E+03 0.94888E-04 -0.11785E-04 3749 0.298E-02 0.793E-02 RMM: 6 -0.317495588099E+03 0.37234E-04 -0.32509E-05 2864 0.175E-02 0.373E-02 RMM: 7 -0.317495587220E+03 0.87863E-06 -0.17563E-05 2503 0.129E-02 1699 T= 5997. E= 0.67468682E+03 F= 0.63877340E+03 E0= 0.66728517E+03 EK= 0.48838E+02 SP= -.14E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315648480251E+03 0.18471E+01 -0.11316E-01 8136 0.232E+01 0.187E-01 RMM: 2 -0.315662685710E+03 -0.14205E-01 -0.10358E-01 5001 0.744E-01 0.869E-01 RMM: 3 -0.315657176255E+03 0.55095E-02 -0.11301E-02 5883 0.209E-01 0.168E-01 RMM: 4 -0.315656871268E+03 0.30499E-03 -0.65980E-04 4782 0.563E-02 0.927E-02 RMM: 5 -0.315656839278E+03 0.31990E-04 -0.94180E-05 3638 0.262E-02 0.731E-02 RMM: 6 -0.315656809023E+03 0.30255E-04 -0.25200E-05 2595 0.155E-02 0.406E-02 RMM: 7 -0.315656812985E+03 -0.39615E-05 -0.17947E-05 2514 0.130E-02 1700 T= 5863. E= 0.67469577E+03 F= 0.64061218E+03 E0= 0.66914562E+03 EK= 0.47743E+02 SP= -.15E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314090215121E+03 0.15666E+01 -0.11390E-01 8024 0.231E+01 0.201E-01 RMM: 2 -0.314106839934E+03 -0.16625E-01 -0.11597E-01 4936 0.791E-01 0.964E-01 RMM: 3 -0.314100093475E+03 0.67465E-02 -0.13180E-02 5889 0.220E-01 0.183E-01 RMM: 4 -0.314099725478E+03 0.36800E-03 -0.78460E-04 4759 0.634E-02 0.106E-01 RMM: 5 -0.314099678319E+03 0.47160E-04 -0.11506E-04 3748 0.284E-02 0.804E-02 RMM: 6 -0.314099640187E+03 0.38132E-04 -0.28043E-05 2684 0.163E-02 0.359E-02 RMM: 7 -0.314099640766E+03 -0.57918E-06 -0.14055E-05 2490 0.118E-02 1701 T= 5764. E= 0.67470328E+03 F= 0.64216935E+03 E0= 0.67072555E+03 EK= 0.46936E+02 SP= -.16E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312911571999E+03 0.11881E+01 -0.10917E-01 8200 0.230E+01 0.202E-01 RMM: 2 -0.312926367222E+03 -0.14795E-01 -0.10055E-01 5040 0.737E-01 0.952E-01 RMM: 3 -0.312919938606E+03 0.64286E-02 -0.11139E-02 5809 0.213E-01 0.181E-01 RMM: 4 -0.312919620809E+03 0.31780E-03 -0.74443E-04 4753 0.591E-02 0.103E-01 RMM: 5 -0.312919573917E+03 0.46892E-04 -0.10486E-04 3733 0.274E-02 0.772E-02 RMM: 6 -0.312919539199E+03 0.34718E-04 -0.27198E-05 2671 0.161E-02 0.453E-02 RMM: 7 -0.312919537933E+03 0.12660E-05 -0.17431E-05 2517 0.128E-02 1702 T= 5712. E= 0.67470878E+03 F= 0.64334945E+03 E0= 0.67192793E+03 EK= 0.46519E+02 SP= -.17E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312180029335E+03 0.73951E+00 -0.10608E-01 8184 0.230E+01 0.207E-01 RMM: 2 -0.312195722137E+03 -0.15693E-01 -0.96530E-02 5063 0.723E-01 0.104E+00 RMM: 3 -0.312188069277E+03 0.76529E-02 -0.10703E-02 5723 0.211E-01 0.197E-01 RMM: 4 -0.312187727990E+03 0.34129E-03 -0.78308E-04 4736 0.605E-02 0.950E-02 RMM: 5 -0.312187687047E+03 0.40943E-04 -0.10763E-04 3756 0.270E-02 0.781E-02 RMM: 6 -0.312187653217E+03 0.33830E-04 -0.25234E-05 2596 0.153E-02 0.437E-02 RMM: 7 -0.312187652676E+03 0.54104E-06 -0.15594E-05 2504 0.122E-02 1703 T= 5719. E= 0.67471167E+03 F= 0.64408134E+03 E0= 0.67267978E+03 EK= 0.46572E+02 SP= -.18E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.311935604040E+03 0.25205E+00 -0.10535E-01 8192 0.231E+01 0.200E-01 RMM: 2 -0.311949391499E+03 -0.13787E-01 -0.90657E-02 5197 0.694E-01 0.958E-01 RMM: 3 -0.311942877778E+03 0.65137E-02 -0.90899E-03 5713 0.199E-01 0.183E-01 RMM: 4 -0.311942603785E+03 0.27399E-03 -0.71283E-04 4720 0.572E-02 0.102E-01 RMM: 5 -0.311942556936E+03 0.46849E-04 -0.10523E-04 3744 0.269E-02 0.809E-02 RMM: 6 -0.311942517314E+03 0.39622E-04 -0.28828E-05 2774 0.168E-02 0.438E-02 RMM: 7 -0.311942514836E+03 0.24787E-05 -0.16326E-05 2513 0.121E-02 1704 T= 5789. E= 0.67471153E+03 F= 0.64432647E+03 E0= 0.67294091E+03 EK= 0.47139E+02 SP= -.18E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312174743089E+03 -0.23223E+00 -0.10994E-01 7992 0.234E+01 0.191E-01 RMM: 2 -0.312189816779E+03 -0.15074E-01 -0.10322E-01 5047 0.753E-01 0.958E-01 RMM: 3 -0.312183460633E+03 0.63561E-02 -0.11246E-02 5795 0.209E-01 0.190E-01 RMM: 4 -0.312183094103E+03 0.36653E-03 -0.70989E-04 4778 0.585E-02 0.873E-02 RMM: 5 -0.312183052448E+03 0.41655E-04 -0.10365E-04 3724 0.269E-02 0.736E-02 RMM: 6 -0.312183022538E+03 0.29909E-04 -0.25204E-05 2577 0.152E-02 0.449E-02 RMM: 7 -0.312183019721E+03 0.28178E-05 -0.16779E-05 2503 0.123E-02 1705 T= 5922. E= 0.67470824E+03 F= 0.64408597E+03 E0= 0.67271158E+03 EK= 0.48228E+02 SP= -.19E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312860369370E+03 -0.67735E+00 -0.10837E-01 7824 0.238E+01 0.191E-01 RMM: 2 -0.312874059865E+03 -0.13690E-01 -0.95697E-02 5069 0.731E-01 0.910E-01 RMM: 3 -0.312868305313E+03 0.57546E-02 -0.10072E-02 5769 0.203E-01 0.181E-01 RMM: 4 -0.312868009239E+03 0.29607E-03 -0.67997E-04 4730 0.572E-02 0.979E-02 RMM: 5 -0.312867962432E+03 0.46808E-04 -0.10718E-04 3739 0.275E-02 0.821E-02 RMM: 6 -0.312867921899E+03 0.40533E-04 -0.30678E-05 2800 0.171E-02 0.414E-02 RMM: 7 -0.312867918940E+03 0.29585E-05 -0.16439E-05 2497 0.122E-02 1706 T= 6116. E= 0.67470231E+03 F= 0.64340107E+03 E0= 0.67203115E+03 EK= 0.49803E+02 SP= -.20E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313913433243E+03 -0.10455E+01 -0.11099E-01 8032 0.242E+01 0.201E-01 RMM: 2 -0.313926683256E+03 -0.13250E-01 -0.90605E-02 5177 0.726E-01 0.932E-01 RMM: 3 -0.313920799853E+03 0.58834E-02 -0.93813E-03 5747 0.200E-01 0.185E-01 RMM: 4 -0.313920496671E+03 0.30318E-03 -0.67751E-04 4702 0.575E-02 0.103E-01 RMM: 5 -0.313920431441E+03 0.65230E-04 -0.11065E-04 3773 0.281E-02 0.742E-02 RMM: 6 -0.313920399742E+03 0.31699E-04 -0.26197E-05 2631 0.157E-02 0.458E-02 RMM: 7 -0.313920394451E+03 0.52902E-05 -0.19837E-05 2510 0.132E-02 1707 T= 6360. E= 0.67469464E+03 F= 0.64234859E+03 E0= 0.67097598E+03 EK= 0.51791E+02 SP= -.21E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315229996894E+03 -0.13096E+01 -0.12153E-01 7872 0.248E+01 0.194E-01 RMM: 2 -0.315245766790E+03 -0.15770E-01 -0.11933E-01 5000 0.822E-01 0.897E-01 RMM: 3 -0.315240213277E+03 0.55535E-02 -0.12967E-02 5893 0.218E-01 0.186E-01 RMM: 4 -0.315239828881E+03 0.38440E-03 -0.73434E-04 4763 0.625E-02 0.112E-01 RMM: 5 -0.315239758492E+03 0.70389E-04 -0.12394E-04 3829 0.299E-02 0.841E-02 RMM: 6 -0.315239718815E+03 0.39678E-04 -0.32809E-05 2851 0.175E-02 0.455E-02 RMM: 7 -0.315239714502E+03 0.43129E-05 -0.20501E-05 2513 0.135E-02 1708 T= 6642. E= 0.67468597E+03 F= 0.64102927E+03 E0= 0.66964573E+03 EK= 0.54089E+02 SP= -.22E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316704249799E+03 -0.14645E+01 -0.12982E-01 7936 0.253E+01 0.211E-01 RMM: 2 -0.316719573462E+03 -0.15324E-01 -0.10966E-01 5124 0.807E-01 0.953E-01 RMM: 3 -0.316713484261E+03 0.60892E-02 -0.11963E-02 5765 0.217E-01 0.186E-01 RMM: 4 -0.316713152512E+03 0.33175E-03 -0.78694E-04 4711 0.636E-02 0.125E-01 RMM: 5 -0.316713059516E+03 0.92996E-04 -0.13722E-04 3862 0.313E-02 0.818E-02 RMM: 6 -0.316713022331E+03 0.37185E-04 -0.31308E-05 2798 0.171E-02 0.479E-02 RMM: 7 -0.316713017349E+03 0.49820E-05 -0.20933E-05 2517 0.136E-02 1709 T= 6948. E= 0.67467752E+03 F= 0.63955597E+03 E0= 0.66815408E+03 EK= 0.56581E+02 SP= -.23E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318217912913E+03 -0.15049E+01 -0.13918E-01 7792 0.258E+01 0.198E-01 RMM: 2 -0.318233730306E+03 -0.15817E-01 -0.12413E-01 5037 0.849E-01 0.872E-01 RMM: 3 -0.318228588714E+03 0.51416E-02 -0.13425E-02 5907 0.219E-01 0.176E-01 RMM: 4 -0.318228242982E+03 0.34573E-03 -0.74275E-04 4691 0.647E-02 0.136E-01 RMM: 5 -0.318228132079E+03 0.11090E-03 -0.13477E-04 3880 0.324E-02 0.825E-02 RMM: 6 -0.318228096375E+03 0.35704E-04 -0.33121E-05 2853 0.176E-02 0.491E-02 RMM: 7 -0.318228090446E+03 0.59289E-05 -0.22354E-05 2530 0.141E-02 1710 T= 7263. E= 0.67466988E+03 F= 0.63804090E+03 E0= 0.66661406E+03 EK= 0.59143E+02 SP= -.24E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319674920682E+03 -0.14468E+01 -0.13828E-01 7672 0.263E+01 0.207E-01 RMM: 2 -0.319690607313E+03 -0.15687E-01 -0.11950E-01 5029 0.843E-01 0.899E-01 RMM: 3 -0.319685126569E+03 0.54807E-02 -0.13210E-02 5844 0.223E-01 0.170E-01 RMM: 4 -0.319684833353E+03 0.29322E-03 -0.77280E-04 4712 0.650E-02 0.145E-01 RMM: 5 -0.319684706979E+03 0.12637E-03 -0.14737E-04 3884 0.337E-02 0.788E-02 RMM: 6 -0.319684673505E+03 0.33474E-04 -0.33562E-05 2871 0.175E-02 0.489E-02 RMM: 7 -0.319684667211E+03 0.62936E-05 -0.23759E-05 2526 0.146E-02 1711 T= 7572. E= 0.67466383E+03 F= 0.63658432E+03 E0= 0.66512895E+03 EK= 0.61661E+02 SP= -.25E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320989968054E+03 -0.13053E+01 -0.14080E-01 7616 0.267E+01 0.196E-01 RMM: 2 -0.321005147792E+03 -0.15180E-01 -0.12442E-01 4976 0.864E-01 0.813E-01 RMM: 3 -0.321000761235E+03 0.43866E-02 -0.14083E-02 5957 0.222E-01 0.154E-01 RMM: 4 -0.321000472146E+03 0.28909E-03 -0.71938E-04 4682 0.655E-02 0.154E-01 RMM: 5 -0.321000325102E+03 0.14704E-03 -0.14578E-04 3915 0.351E-02 0.754E-02 RMM: 6 -0.321000296043E+03 0.29058E-04 -0.32693E-05 2795 0.173E-02 0.489E-02 RMM: 7 -0.321000289533E+03 0.65105E-05 -0.24146E-05 2532 0.148E-02 1712 T= 7863. E= 0.67465889E+03 F= 0.63526870E+03 E0= 0.66378359E+03 EK= 0.64033E+02 SP= -.26E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322099592754E+03 -0.10993E+01 -0.14273E-01 7776 0.271E+01 0.198E-01 RMM: 2 -0.322114329612E+03 -0.14737E-01 -0.11672E-01 4962 0.847E-01 0.831E-01 RMM: 3 -0.322109664390E+03 0.46652E-02 -0.13311E-02 5900 0.223E-01 0.154E-01 RMM: 4 -0.322109418937E+03 0.24545E-03 -0.70083E-04 4668 0.647E-02 0.154E-01 RMM: 5 -0.322109268786E+03 0.15015E-03 -0.14325E-04 3880 0.348E-02 0.714E-02 RMM: 6 -0.322109242767E+03 0.26020E-04 -0.33178E-05 2837 0.174E-02 0.489E-02 RMM: 7 -0.322109234776E+03 0.79906E-05 -0.28023E-05 2543 0.159E-02 1713 T= 8126. E= 0.67465525E+03 F= 0.63415975E+03 E0= 0.66264764E+03 EK= 0.66175E+02 SP= -.27E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322953665106E+03 -0.84442E+00 -0.14801E-01 7664 0.274E+01 0.191E-01 RMM: 2 -0.322969312253E+03 -0.15647E-01 -0.13248E-01 4882 0.897E-01 0.774E-01 RMM: 3 -0.322965237759E+03 0.40745E-02 -0.15324E-02 5959 0.233E-01 0.145E-01 RMM: 4 -0.322964957580E+03 0.28018E-03 -0.73360E-04 4693 0.684E-02 0.152E-01 RMM: 5 -0.322964811582E+03 0.14600E-03 -0.14759E-04 3916 0.365E-02 0.689E-02 RMM: 6 -0.322964789163E+03 0.22419E-04 -0.32534E-05 2754 0.170E-02 0.509E-02 RMM: 7 -0.322964781065E+03 0.80974E-05 -0.29698E-05 2550 0.167E-02 1714 T= 8352. E= 0.67465304E+03 F= 0.63330421E+03 E0= 0.66176983E+03 EK= 0.68017E+02 SP= -.28E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323528805617E+03 -0.56402E+00 -0.15251E-01 7640 0.276E+01 0.182E-01 RMM: 2 -0.323543272359E+03 -0.14467E-01 -0.12480E-01 4912 0.859E-01 0.716E-01 RMM: 3 -0.323539514156E+03 0.37582E-02 -0.13964E-02 5997 0.227E-01 0.140E-01 RMM: 4 -0.323539271166E+03 0.24299E-03 -0.64211E-04 4683 0.638E-02 0.148E-01 RMM: 5 -0.323539133009E+03 0.13816E-03 -0.12862E-04 3841 0.342E-02 0.680E-02 RMM: 6 -0.323539113185E+03 0.19824E-04 -0.31475E-05 2737 0.168E-02 1715 T= 8536. E= 0.67465186E+03 F= 0.63272988E+03 E0= 0.66118051E+03 EK= 0.69512E+02 SP= -.28E+02 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323806184121E+03 -0.26705E+00 -0.15889E-01 7616 0.278E+01 0.203E-01 RMM: 2 -0.323827911016E+03 -0.21727E-01 -0.15178E-01 4835 0.932E-01 0.107E+00 RMM: 3 -0.323819440045E+03 0.84710E-02 -0.17415E-02 5737 0.265E-01 0.197E-01 RMM: 4 -0.323819034561E+03 0.40548E-03 -0.92124E-04 4793 0.692E-02 0.109E-01 RMM: 5 -0.323818956532E+03 0.78030E-04 -0.13280E-04 3939 0.325E-02 0.763E-02 RMM: 6 -0.323818933787E+03 0.22745E-04 -0.33656E-05 2736 0.174E-02 0.644E-02 RMM: 7 -0.323818935560E+03 -0.17733E-05 -0.59061E-05 3411 0.214E-02 1716 T= 8673. E= 0.67465127E+03 F= 0.63245005E+03 E0= 0.66089401E+03 EK= 0.70627E+02 SP= -.29E+02 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323793017885E+03 0.25916E-01 -0.15859E-01 7608 0.279E+01 0.253E-01 RMM: 2 -0.323814239794E+03 -0.21222E-01 -0.13546E-01 4791 0.923E-01 0.119E+00 RMM: 3 -0.323804394282E+03 0.98455E-02 -0.16848E-02 5652 0.278E-01 0.238E-01 RMM: 4 -0.323803966116E+03 0.42817E-03 -0.13284E-03 5107 0.849E-02 0.138E-01 RMM: 5 -0.323803869237E+03 0.96879E-04 -0.19072E-04 3884 0.340E-02 0.960E-02 RMM: 6 -0.323803815061E+03 0.54176E-04 -0.38394E-05 3007 0.190E-02 0.379E-02 RMM: 7 -0.323803817431E+03 -0.23701E-05 -0.19761E-05 2525 0.129E-02 1717 T= 8761. E= 0.67465232E+03 F= 0.63246517E+03 E0= 0.66091091E+03 EK= 0.71348E+02 SP= -.30E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323494511034E+03 0.30930E+00 -0.16112E-01 7392 0.280E+01 0.192E-01 RMM: 2 -0.323512813738E+03 -0.18303E-01 -0.14875E-01 4833 0.931E-01 0.853E-01 RMM: 3 -0.323507428385E+03 0.53854E-02 -0.17235E-02 5979 0.255E-01 0.151E-01 RMM: 4 -0.323507099656E+03 0.32873E-03 -0.73085E-04 4790 0.653E-02 0.131E-01 RMM: 5 -0.323506993747E+03 0.10591E-03 -0.12257E-04 3838 0.326E-02 0.760E-02 RMM: 6 -0.323506970536E+03 0.23211E-04 -0.37884E-05 2899 0.184E-02 0.584E-02 RMM: 7 -0.323506970134E+03 0.40256E-06 -0.41109E-05 2701 0.180E-02 1718 T= 8802. E= 0.67465490E+03 F= 0.63276202E+03 E0= 0.66121574E+03 EK= 0.71678E+02 SP= -.30E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322939244485E+03 0.56773E+00 -0.15703E-01 7544 0.280E+01 0.214E-01 RMM: 2 -0.322957905783E+03 -0.18661E-01 -0.14021E-01 4855 0.916E-01 0.970E-01 RMM: 3 -0.322951321573E+03 0.65842E-02 -0.16527E-02 5856 0.257E-01 0.186E-01 RMM: 4 -0.322950952541E+03 0.36903E-03 -0.88123E-04 4776 0.696E-02 0.121E-01 RMM: 5 -0.322950885380E+03 0.67161E-04 -0.13802E-04 3868 0.326E-02 0.841E-02 RMM: 6 -0.322950845318E+03 0.40062E-04 -0.34719E-05 2879 0.180E-02 0.437E-02 RMM: 7 -0.322950848952E+03 -0.36334E-05 -0.21493E-05 2533 0.145E-02 1719 T= 8796. E= 0.67465794E+03 F= 0.63331814E+03 E0= 0.66178571E+03 EK= 0.71632E+02 SP= -.31E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322149099865E+03 0.80175E+00 -0.15844E-01 7552 0.280E+01 0.203E-01 RMM: 2 -0.322167805659E+03 -0.18706E-01 -0.15369E-01 4845 0.947E-01 0.865E-01 RMM: 3 -0.322162458799E+03 0.53469E-02 -0.17894E-02 6044 0.252E-01 0.159E-01 RMM: 4 -0.322162118476E+03 0.34032E-03 -0.84810E-04 4787 0.717E-02 0.149E-01 RMM: 5 -0.322161983043E+03 0.13543E-03 -0.15062E-04 3897 0.346E-02 0.730E-02 RMM: 6 -0.322161955622E+03 0.27420E-04 -0.34596E-05 2890 0.176E-02 0.456E-02 RMM: 7 -0.322161956198E+03 -0.57523E-06 -0.28293E-05 2566 0.161E-02 1720 T= 8747. E= 0.67466153E+03 F= 0.63410703E+03 E0= 0.66259183E+03 EK= 0.71233E+02 SP= -.31E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321158037731E+03 0.10039E+01 -0.17392E-01 7704 0.279E+01 0.213E-01 RMM: 2 -0.321179001071E+03 -0.20963E-01 -0.16624E-01 4833 0.988E-01 0.950E-01 RMM: 3 -0.321172551998E+03 0.64491E-02 -0.19365E-02 5977 0.264E-01 0.182E-01 RMM: 4 -0.321172112097E+03 0.43990E-03 -0.93132E-04 4828 0.729E-02 0.132E-01 RMM: 5 -0.321172020663E+03 0.91434E-04 -0.15149E-04 3910 0.336E-02 0.854E-02 RMM: 6 -0.321171978600E+03 0.42063E-04 -0.41755E-05 3052 0.193E-02 0.450E-02 RMM: 7 -0.321171981976E+03 -0.33765E-05 -0.26253E-05 2559 0.156E-02 1721 T= 8659. E= 0.67466607E+03 F= 0.63509701E+03 E0= 0.66360197E+03 EK= 0.70516E+02 SP= -.31E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320010761761E+03 0.11612E+01 -0.16347E-01 7704 0.278E+01 0.217E-01 RMM: 2 -0.320030409344E+03 -0.19648E-01 -0.15676E-01 4939 0.944E-01 0.937E-01 RMM: 3 -0.320024230437E+03 0.61789E-02 -0.17698E-02 6003 0.248E-01 0.174E-01 RMM: 4 -0.320023842781E+03 0.38766E-03 -0.91237E-04 4755 0.726E-02 0.149E-01 RMM: 5 -0.320023710270E+03 0.13251E-03 -0.15739E-04 3919 0.349E-02 0.742E-02 RMM: 6 -0.320023680548E+03 0.29722E-04 -0.34478E-05 2911 0.175E-02 0.474E-02 RMM: 7 -0.320023680499E+03 0.49513E-07 -0.27458E-05 2551 0.162E-02 1722 T= 8538. E= 0.67467168E+03 F= 0.63624531E+03 E0= 0.66477135E+03 EK= 0.69529E+02 SP= -.31E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318762684405E+03 0.12610E+01 -0.16416E-01 7736 0.277E+01 0.206E-01 RMM: 2 -0.318781966765E+03 -0.19282E-01 -0.16109E-01 4937 0.945E-01 0.862E-01 RMM: 3 -0.318776606625E+03 0.53601E-02 -0.18155E-02 6033 0.249E-01 0.154E-01 RMM: 4 -0.318776246796E+03 0.35983E-03 -0.83406E-04 4763 0.687E-02 0.159E-01 RMM: 5 -0.318776092597E+03 0.15420E-03 -0.14632E-04 3904 0.342E-02 0.771E-02 RMM: 6 -0.318776062569E+03 0.30027E-04 -0.37212E-05 2946 0.181E-02 0.540E-02 RMM: 7 -0.318776055203E+03 0.73660E-05 -0.37641E-05 2672 0.183E-02 1723 T= 8392. E= 0.67467907E+03 F= 0.63749293E+03 E0= 0.66604043E+03 EK= 0.68341E+02 SP= -.31E+02 SK= 0.23E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.317499230537E+03 0.12768E+01 -0.16002E-01 7696 0.275E+01 0.230E-01 RMM: 2 -0.317519652160E+03 -0.20422E-01 -0.15312E-01 5001 0.921E-01 0.103E+00 RMM: 3 -0.317512239235E+03 0.74129E-02 -0.17280E-02 5926 0.251E-01 0.197E-01 RMM: 4 -0.317511794456E+03 0.44478E-03 -0.97726E-04 4767 0.734E-02 0.147E-01 RMM: 5 -0.317511666738E+03 0.12772E-03 -0.16072E-04 3886 0.340E-02 0.826E-02 RMM: 6 -0.317511632551E+03 0.34187E-04 -0.35566E-05 2928 0.178E-02 0.576E-02 RMM: 7 -0.317511628765E+03 0.37861E-05 -0.29084E-05 2582 0.165E-02 1724 T= 8233. E= 0.67468751E+03 F= 0.63875736E+03 E0= 0.66732479E+03 EK= 0.67043E+02 SP= -.31E+02 SK= 0.88E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316318204170E+03 0.11934E+01 -0.15409E-01 7824 0.272E+01 0.221E-01 RMM: 2 -0.316336822631E+03 -0.18618E-01 -0.14579E-01 5098 0.893E-01 0.946E-01 RMM: 3 -0.316330587179E+03 0.62355E-02 -0.16336E-02 5958 0.243E-01 0.168E-01 RMM: 4 -0.316330252663E+03 0.33452E-03 -0.87454E-04 4819 0.668E-02 0.156E-01 RMM: 5 -0.316330111370E+03 0.14129E-03 -0.14537E-04 3875 0.324E-02 0.818E-02 RMM: 6 -0.316330078382E+03 0.32988E-04 -0.35389E-05 2926 0.177E-02 0.579E-02 RMM: 7 -0.316330067911E+03 0.10471E-04 -0.48797E-05 3060 0.198E-02 1725 T= 8074. E= 0.67469659E+03 F= 0.63993892E+03 E0= 0.66852440E+03 EK= 0.65747E+02 SP= -.31E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315324197632E+03 0.10059E+01 -0.15585E-01 7968 0.268E+01 0.222E-01 RMM: 2 -0.315343682214E+03 -0.19485E-01 -0.15123E-01 5035 0.924E-01 0.969E-01 RMM: 3 -0.315337239227E+03 0.64430E-02 -0.17482E-02 5977 0.247E-01 0.193E-01 RMM: 4 -0.315336782774E+03 0.45645E-03 -0.95648E-04 4765 0.732E-02 0.146E-01 RMM: 5 -0.315336662532E+03 0.12024E-03 -0.16679E-04 3893 0.338E-02 0.864E-02 RMM: 6 -0.315336623053E+03 0.39479E-04 -0.38352E-05 3006 0.184E-02 0.547E-02 RMM: 7 -0.315336621152E+03 0.19008E-05 -0.26914E-05 2567 0.157E-02 1726 T= 7929. E= 0.67470462E+03 F= 0.64093237E+03 E0= 0.66953235E+03 EK= 0.64565E+02 SP= -.31E+02 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314607462243E+03 0.72916E+00 -0.15420E-01 8256 0.265E+01 0.205E-01 RMM: 2 -0.314625023281E+03 -0.17561E-01 -0.14466E-01 5030 0.892E-01 0.855E-01 RMM: 3 -0.314619878796E+03 0.51445E-02 -0.16239E-02 5995 0.241E-01 0.154E-01 RMM: 4 -0.314619558571E+03 0.32023E-03 -0.79336E-04 4888 0.632E-02 0.136E-01 RMM: 5 -0.314619450324E+03 0.10825E-03 -0.12633E-04 3802 0.305E-02 0.745E-02 RMM: 6 -0.314619424571E+03 0.25753E-04 -0.32134E-05 2745 0.165E-02 0.529E-02 RMM: 7 -0.314619420528E+03 0.40432E-05 -0.45148E-05 2991 0.193E-02 1727 T= 7809. E= 0.67470951E+03 F= 0.64164957E+03 E0= 0.67026170E+03 EK= 0.63594E+02 SP= -.31E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314216241777E+03 0.40318E+00 -0.15362E-01 8312 0.263E+01 0.190E-01 RMM: 2 -0.314233079808E+03 -0.16838E-01 -0.13981E-01 5021 0.873E-01 0.813E-01 RMM: 3 -0.314228271661E+03 0.48081E-02 -0.14972E-02 6089 0.225E-01 0.158E-01 RMM: 4 -0.314227922331E+03 0.34933E-03 -0.73538E-04 4709 0.665E-02 0.137E-01 RMM: 5 -0.314227812115E+03 0.11022E-03 -0.13520E-04 3816 0.314E-02 0.738E-02 RMM: 6 -0.314227784034E+03 0.28081E-04 -0.30637E-05 2843 0.169E-02 0.452E-02 RMM: 7 -0.314227786337E+03 -0.23027E-05 -0.23587E-05 2523 0.149E-02 1728 T= 7723. E= 0.67471068E+03 F= 0.64204120E+03 E0= 0.67066253E+03 EK= 0.62888E+02 SP= -.30E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314152742501E+03 0.75042E-01 -0.15163E-01 8368 0.261E+01 0.197E-01 RMM: 2 -0.314169416285E+03 -0.16674E-01 -0.13849E-01 5114 0.857E-01 0.816E-01 RMM: 3 -0.314164339521E+03 0.50768E-02 -0.13760E-02 6024 0.227E-01 0.164E-01 RMM: 4 -0.314164037983E+03 0.30154E-03 -0.70852E-04 4894 0.600E-02 0.121E-01 RMM: 5 -0.314163947243E+03 0.90740E-04 -0.11087E-04 3721 0.279E-02 0.723E-02 RMM: 6 -0.314163922574E+03 0.24669E-04 -0.29407E-05 2723 0.164E-02 0.453E-02 RMM: 7 -0.314163924348E+03 -0.17745E-05 -0.32533E-05 2620 0.163E-02 1729 T= 7669. E= 0.67470862E+03 F= 0.64210506E+03 E0= 0.67073423E+03 EK= 0.62454E+02 SP= -.30E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314377880516E+03 -0.21396E+00 -0.14217E-01 8520 0.260E+01 0.191E-01 RMM: 2 -0.314394550842E+03 -0.16670E-01 -0.13375E-01 5160 0.830E-01 0.854E-01 RMM: 3 -0.314389000773E+03 0.55501E-02 -0.12850E-02 6094 0.214E-01 0.160E-01 RMM: 4 -0.314388703885E+03 0.29689E-03 -0.67869E-04 4676 0.622E-02 0.131E-01 RMM: 5 -0.314388595972E+03 0.10791E-03 -0.11812E-04 3744 0.289E-02 0.691E-02 RMM: 6 -0.314388575231E+03 0.20742E-04 -0.27621E-05 2729 0.162E-02 0.466E-02 RMM: 7 -0.314388577312E+03 -0.20808E-05 -0.23987E-05 2542 0.145E-02 1730 T= 7645. E= 0.67470436E+03 F= 0.64188041E+03 E0= 0.67051632E+03 EK= 0.62256E+02 SP= -.30E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314824481829E+03 -0.43591E+00 -0.14337E-01 8488 0.259E+01 0.209E-01 RMM: 2 -0.314842334963E+03 -0.17853E-01 -0.13768E-01 5162 0.840E-01 0.924E-01 RMM: 3 -0.314835860044E+03 0.64749E-02 -0.13632E-02 5941 0.228E-01 0.188E-01 RMM: 4 -0.314835509491E+03 0.35055E-03 -0.78835E-04 4820 0.620E-02 0.111E-01 RMM: 5 -0.314835428312E+03 0.81178E-04 -0.11673E-04 3800 0.280E-02 0.765E-02 RMM: 6 -0.314835401106E+03 0.27207E-04 -0.28939E-05 2712 0.163E-02 0.496E-02 RMM: 7 -0.314835401485E+03 -0.37917E-06 -0.28108E-05 2605 0.155E-02 1731 T= 7641. E= 0.67469913E+03 F= 0.64143359E+03 E0= 0.67007560E+03 EK= 0.62228E+02 SP= -.29E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315417100888E+03 -0.58170E+00 -0.14474E-01 8568 0.259E+01 0.199E-01 RMM: 2 -0.315435045320E+03 -0.17944E-01 -0.13977E-01 5059 0.848E-01 0.912E-01 RMM: 3 -0.315428879775E+03 0.61655E-02 -0.14569E-02 6035 0.228E-01 0.180E-01 RMM: 4 -0.315428495502E+03 0.38427E-03 -0.76015E-04 4740 0.630E-02 0.117E-01 RMM: 5 -0.315428412367E+03 0.83136E-04 -0.11879E-04 3780 0.291E-02 0.750E-02 RMM: 6 -0.315428386901E+03 0.25466E-04 -0.29781E-05 2750 0.165E-02 0.517E-02 RMM: 7 -0.315428387076E+03 -0.17524E-06 -0.25540E-05 2570 0.153E-02 1732 T= 7650. E= 0.67469346E+03 F= 0.64084060E+03 E0= 0.66948775E+03 EK= 0.62294E+02 SP= -.29E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316082128373E+03 -0.65374E+00 -0.14551E-01 8296 0.259E+01 0.209E-01 RMM: 2 -0.316100056693E+03 -0.17928E-01 -0.14245E-01 4971 0.867E-01 0.896E-01 RMM: 3 -0.316094023428E+03 0.60333E-02 -0.15505E-02 5966 0.240E-01 0.161E-01 RMM: 4 -0.316093692749E+03 0.33068E-03 -0.81347E-04 4925 0.622E-02 0.121E-01 RMM: 5 -0.316093603463E+03 0.89286E-04 -0.11577E-04 3777 0.293E-02 0.769E-02 RMM: 6 -0.316093573323E+03 0.30140E-04 -0.30916E-05 2706 0.166E-02 0.496E-02 RMM: 7 -0.316093565409E+03 0.79141E-05 -0.34807E-05 2634 0.175E-02 1733 T= 7660. E= 0.67468803E+03 F= 0.64017542E+03 E0= 0.66882633E+03 EK= 0.62380E+02 SP= -.28E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316753368425E+03 -0.65980E+00 -0.13795E-01 8048 0.259E+01 0.179E-01 RMM: 2 -0.316767158559E+03 -0.13790E-01 -0.11607E-01 5237 0.768E-01 0.744E-01 RMM: 3 -0.316762790927E+03 0.43676E-02 -0.10832E-02 6117 0.195E-01 0.155E-01 RMM: 4 -0.316762514502E+03 0.27642E-03 -0.57255E-04 4687 0.552E-02 0.120E-01 RMM: 5 -0.316762424008E+03 0.90494E-04 -0.94884E-05 3637 0.262E-02 0.739E-02 RMM: 6 -0.316762397960E+03 0.26049E-04 -0.26561E-05 2654 0.160E-02 0.495E-02 RMM: 7 -0.316762394069E+03 0.38904E-05 -0.28493E-05 2591 0.154E-02 1734 T= 7665. E= 0.67468288E+03 F= 0.63950660E+03 E0= 0.66815863E+03 EK= 0.62417E+02 SP= -.28E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317366579795E+03 -0.60418E+00 -0.14153E-01 7800 0.259E+01 0.191E-01 RMM: 2 -0.317381383116E+03 -0.14803E-01 -0.12158E-01 5069 0.808E-01 0.804E-01 RMM: 3 -0.317376663541E+03 0.47196E-02 -0.12808E-02 6040 0.213E-01 0.160E-01 RMM: 4 -0.317376341478E+03 0.32206E-03 -0.65328E-04 4821 0.586E-02 0.117E-01 RMM: 5 -0.317376253358E+03 0.88120E-04 -0.10285E-04 3721 0.273E-02 0.685E-02 RMM: 6 -0.317376231132E+03 0.22226E-04 -0.26052E-05 2617 0.156E-02 0.465E-02 RMM: 7 -0.317376227830E+03 0.33020E-05 -0.27022E-05 2576 0.154E-02 1735 T= 7656. E= 0.67467824E+03 F= 0.63889276E+03 E0= 0.66754253E+03 EK= 0.62347E+02 SP= -.27E+02 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317875871567E+03 -0.49964E+00 -0.13725E-01 7880 0.259E+01 0.171E-01 RMM: 2 -0.317888556831E+03 -0.12685E-01 -0.10617E-01 5167 0.755E-01 0.721E-01 RMM: 3 -0.317884704666E+03 0.38522E-02 -0.10594E-02 6033 0.190E-01 0.145E-01 RMM: 4 -0.317884443023E+03 0.26164E-03 -0.54048E-04 4643 0.552E-02 0.116E-01 RMM: 5 -0.317884351957E+03 0.91066E-04 -0.94712E-05 3638 0.260E-02 0.671E-02 RMM: 6 -0.317884331220E+03 0.20737E-04 -0.25320E-05 2618 0.156E-02 0.449E-02 RMM: 7 -0.317884327185E+03 0.40350E-05 -0.28357E-05 2601 0.155E-02 1736 T= 7628. E= 0.67467416E+03 F= 0.63838466E+03 E0= 0.66702759E+03 EK= 0.62122E+02 SP= -.27E+02 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318232451097E+03 -0.34812E+00 -0.13735E-01 7736 0.259E+01 0.181E-01 RMM: 2 -0.318244933816E+03 -0.12483E-01 -0.10738E-01 5131 0.770E-01 0.716E-01 RMM: 3 -0.318241348646E+03 0.35852E-02 -0.11223E-02 6070 0.194E-01 0.130E-01 RMM: 4 -0.318241117868E+03 0.23078E-03 -0.56018E-04 4729 0.555E-02 0.134E-01 RMM: 5 -0.318241011745E+03 0.10612E-03 -0.10138E-04 3715 0.281E-02 0.692E-02 RMM: 6 -0.318240987200E+03 0.24545E-04 -0.26282E-05 2643 0.158E-02 0.426E-02 RMM: 7 -0.318240983531E+03 0.36691E-05 -0.23533E-05 2553 0.143E-02 1737 T= 7577. E= 0.67467133E+03 F= 0.63802801E+03 E0= 0.66665909E+03 EK= 0.61700E+02 SP= -.26E+02 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318403845540E+03 -0.16286E+00 -0.14494E-01 7720 0.258E+01 0.176E-01 RMM: 2 -0.318419714262E+03 -0.15869E-01 -0.13102E-01 4906 0.866E-01 0.792E-01 RMM: 3 -0.318415319328E+03 0.43949E-02 -0.15008E-02 6085 0.219E-01 0.147E-01 RMM: 4 -0.318414973289E+03 0.34604E-03 -0.67769E-04 4730 0.642E-02 0.113E-01 RMM: 5 -0.318414890271E+03 0.83019E-04 -0.10582E-04 3685 0.284E-02 0.657E-02 RMM: 6 -0.318414871008E+03 0.19263E-04 -0.26804E-05 2605 0.158E-02 1738 T= 7497. E= 0.67467020E+03 F= 0.63785412E+03 E0= 0.66646863E+03 EK= 0.61055E+02 SP= -.25E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318383534387E+03 0.31356E-01 -0.13063E-01 7512 0.258E+01 0.220E-01 RMM: 2 -0.318400695011E+03 -0.17161E-01 -0.10101E-01 5110 0.762E-01 0.114E+00 RMM: 3 -0.318391950133E+03 0.87449E-02 -0.11243E-02 5549 0.222E-01 0.211E-01 RMM: 4 -0.318391598054E+03 0.35208E-03 -0.86579E-04 4798 0.619E-02 0.915E-02 RMM: 5 -0.318391549241E+03 0.48813E-04 -0.11939E-04 3852 0.280E-02 0.756E-02 RMM: 6 -0.318391518306E+03 0.30935E-04 -0.27898E-05 2690 0.159E-02 0.515E-02 RMM: 7 -0.318391522496E+03 -0.41901E-05 -0.26100E-05 2560 0.159E-02 1739 T= 7390. E= 0.67467116E+03 F= 0.63787747E+03 E0= 0.66647159E+03 EK= 0.60182E+02 SP= -.25E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318169691166E+03 0.22183E+00 -0.12386E-01 7512 0.256E+01 0.246E-01 RMM: 2 -0.318187274353E+03 -0.17583E-01 -0.93140E-02 5065 0.756E-01 0.124E+00 RMM: 3 -0.318177053823E+03 0.10221E-01 -0.10852E-02 5490 0.227E-01 0.225E-01 RMM: 4 -0.318176707859E+03 0.34596E-03 -0.10818E-03 4686 0.728E-02 0.115E-01 RMM: 5 -0.318176673390E+03 0.34470E-04 -0.16792E-04 3848 0.323E-02 0.101E-01 RMM: 6 -0.318176606684E+03 0.66706E-04 -0.41425E-05 3059 0.199E-02 0.307E-02 RMM: 7 -0.318176607333E+03 -0.64920E-06 -0.15714E-05 2502 0.123E-02 1740 T= 7257. E= 0.67467376E+03 F= 0.63809238E+03 E0= 0.66666302E+03 EK= 0.59095E+02 SP= -.24E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317793126172E+03 0.38348E+00 -0.12133E-01 7584 0.254E+01 0.196E-01 RMM: 2 -0.317806525902E+03 -0.13400E-01 -0.91888E-02 5143 0.730E-01 0.922E-01 RMM: 3 -0.317800762718E+03 0.57632E-02 -0.98022E-03 5703 0.195E-01 0.164E-01 RMM: 4 -0.317800520901E+03 0.24182E-03 -0.63441E-04 4720 0.561E-02 0.106E-01 RMM: 5 -0.317800447526E+03 0.73375E-04 -0.99606E-05 3692 0.261E-02 0.717E-02 RMM: 6 -0.317800416732E+03 0.30793E-04 -0.29025E-05 2736 0.166E-02 0.387E-02 RMM: 7 -0.317800416791E+03 -0.58406E-07 -0.20372E-05 2522 0.131E-02 1741 T= 7102. E= 0.67467804E+03 F= 0.63846857E+03 E0= 0.66701442E+03 EK= 0.57833E+02 SP= -.23E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317310740256E+03 0.48968E+00 -0.12498E-01 7728 0.252E+01 0.185E-01 RMM: 2 -0.317323148598E+03 -0.12408E-01 -0.91226E-02 4976 0.737E-01 0.846E-01 RMM: 3 -0.317318404224E+03 0.47444E-02 -0.10430E-02 5725 0.201E-01 0.152E-01 RMM: 4 -0.317318171275E+03 0.23295E-03 -0.61148E-04 4769 0.542E-02 0.909E-02 RMM: 5 -0.317318127113E+03 0.44162E-04 -0.89135E-05 3628 0.259E-02 0.653E-02 RMM: 6 -0.317318102783E+03 0.24330E-04 -0.24750E-05 2579 0.153E-02 0.338E-02 RMM: 7 -0.317318104820E+03 -0.20379E-05 -0.14730E-05 2489 0.119E-02 1742 T= 6933. E= 0.67468355E+03 F= 0.63895088E+03 E0= 0.66747139E+03 EK= 0.56461E+02 SP= -.22E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316796641511E+03 0.52146E+00 -0.12597E-01 7504 0.250E+01 0.164E-01 RMM: 2 -0.316808432299E+03 -0.11791E-01 -0.99237E-02 4909 0.761E-01 0.678E-01 RMM: 3 -0.316805269825E+03 0.31625E-02 -0.11460E-02 5917 0.194E-01 0.138E-01 RMM: 4 -0.316805034029E+03 0.23580E-03 -0.57202E-04 4640 0.581E-02 0.113E-01 RMM: 5 -0.316804955132E+03 0.78897E-04 -0.94362E-05 3587 0.276E-02 0.651E-02 RMM: 6 -0.316804930670E+03 0.24462E-04 -0.25910E-05 2585 0.156E-02 0.330E-02 RMM: 7 -0.316804929924E+03 0.74583E-06 -0.15640E-05 2486 0.120E-02 1743 T= 6762. E= 0.67469008E+03 F= 0.63946406E+03 E0= 0.66796009E+03 EK= 0.55064E+02 SP= -.21E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316344830345E+03 0.46010E+00 -0.11891E-01 7624 0.247E+01 0.168E-01 RMM: 2 -0.316356309192E+03 -0.11479E-01 -0.89804E-02 4896 0.725E-01 0.747E-01 RMM: 3 -0.316352534594E+03 0.37746E-02 -0.10464E-02 5778 0.195E-01 0.148E-01 RMM: 4 -0.316352292835E+03 0.24176E-03 -0.54180E-04 4716 0.528E-02 0.839E-02 RMM: 5 -0.316352254924E+03 0.37911E-04 -0.80837E-05 3561 0.249E-02 0.667E-02 RMM: 6 -0.316352229374E+03 0.25550E-04 -0.25488E-05 2577 0.156E-02 0.345E-02 RMM: 7 -0.316352230200E+03 -0.82584E-06 -0.19011E-05 2504 0.133E-02 1744 T= 6599. E= 0.67469694E+03 F= 0.63991676E+03 E0= 0.66838958E+03 EK= 0.53739E+02 SP= -.20E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316050087793E+03 0.30214E+00 -0.11633E-01 7736 0.244E+01 0.163E-01 RMM: 2 -0.316062013684E+03 -0.11926E-01 -0.95958E-02 4818 0.751E-01 0.714E-01 RMM: 3 -0.316058410251E+03 0.36034E-02 -0.11312E-02 5871 0.199E-01 0.154E-01 RMM: 4 -0.316058138331E+03 0.27192E-03 -0.57344E-04 4684 0.565E-02 0.915E-02 RMM: 5 -0.316058094636E+03 0.43695E-04 -0.90634E-05 3591 0.271E-02 0.645E-02 RMM: 6 -0.316058069266E+03 0.25370E-04 -0.24829E-05 2572 0.153E-02 0.316E-02 RMM: 7 -0.316058069227E+03 0.38559E-07 -0.14268E-05 2482 0.119E-02 1745 T= 6458. E= 0.67470340E+03 F= 0.64021092E+03 E0= 0.66866237E+03 EK= 0.52588E+02 SP= -.20E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316011047796E+03 0.47021E-01 -0.11488E-01 7544 0.242E+01 0.169E-01 RMM: 2 -0.316021966371E+03 -0.10919E-01 -0.82508E-02 4915 0.695E-01 0.745E-01 RMM: 3 -0.316018136143E+03 0.38302E-02 -0.96363E-03 5726 0.189E-01 0.161E-01 RMM: 4 -0.316017879997E+03 0.25615E-03 -0.55090E-04 4666 0.536E-02 0.847E-02 RMM: 5 -0.316017845939E+03 0.34058E-04 -0.84408E-05 3548 0.254E-02 0.695E-02 RMM: 6 -0.316017815871E+03 0.30068E-04 -0.26494E-05 2613 0.161E-02 0.322E-02 RMM: 7 -0.316017814461E+03 0.14104E-05 -0.17168E-05 2485 0.128E-02 1746 T= 6350. E= 0.67470936E+03 F= 0.64025117E+03 E0= 0.66868328E+03 EK= 0.51709E+02 SP= -.19E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316311891668E+03 -0.29408E+00 -0.11623E-01 7488 0.241E+01 0.188E-01 RMM: 2 -0.316324350535E+03 -0.12459E-01 -0.77125E-02 4933 0.684E-01 0.931E-01 RMM: 3 -0.316318365779E+03 0.59848E-02 -0.91025E-03 5588 0.196E-01 0.190E-01 RMM: 4 -0.316318063355E+03 0.30242E-03 -0.67730E-04 4640 0.588E-02 0.789E-02 RMM: 5 -0.316318045200E+03 0.18154E-04 -0.10249E-04 3698 0.273E-02 1747 T= 6286. E= 0.67471426E+03 F= 0.63995094E+03 E0= 0.66836587E+03 EK= 0.51186E+02 SP= -.18E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317017373852E+03 -0.69931E+00 -0.11795E-01 7624 0.240E+01 0.128E-01 RMM: 2 -0.317026314491E+03 -0.89406E-02 -0.73217E-02 5045 0.646E-01 0.597E-01 RMM: 3 -0.317023806598E+03 0.25079E-02 -0.77812E-03 5858 0.162E-01 0.124E-01 RMM: 4 -0.317023608762E+03 0.19784E-03 -0.32197E-04 4302 0.429E-02 0.774E-02 RMM: 5 -0.317023567430E+03 0.41333E-04 -0.44235E-05 3011 0.202E-02 0.618E-02 RMM: 6 -0.317023556575E+03 0.10855E-04 -0.24956E-05 2525 0.150E-02 1748 T= 6272. E= 0.67471689E+03 F= 0.63924543E+03 E0= 0.66764582E+03 EK= 0.51079E+02 SP= -.17E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318163803427E+03 -0.11402E+01 -0.11623E-01 7568 0.240E+01 0.297E-01 RMM: 2 -0.318189834518E+03 -0.26031E-01 -0.77198E-02 4957 0.694E-01 0.171E+00 RMM: 3 -0.318169594355E+03 0.20240E-01 -0.11990E-02 5337 0.265E-01 0.282E-01 RMM: 4 -0.318169054438E+03 0.53992E-03 -0.13459E-03 4718 0.755E-02 0.845E-02 RMM: 5 -0.318169081603E+03 -0.27165E-04 -0.18466E-04 3884 0.344E-02 0.109E-01 RMM: 6 -0.318169002902E+03 0.78701E-04 -0.43064E-05 3115 0.197E-02 0.364E-02 RMM: 7 -0.318168997919E+03 0.49832E-05 -0.14544E-05 2496 0.121E-02 1749 T= 6314. E= 0.67471665E+03 F= 0.63809999E+03 E0= 0.66648901E+03 EK= 0.51416E+02 SP= -.16E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319747423490E+03 -0.15784E+01 -0.11720E-01 7496 0.241E+01 0.300E-01 RMM: 2 -0.319776117194E+03 -0.28694E-01 -0.89924E-02 5056 0.747E-01 0.176E+00 RMM: 3 -0.319754201151E+03 0.21916E-01 -0.12611E-02 5343 0.268E-01 0.252E-01 RMM: 4 -0.319753755988E+03 0.44516E-03 -0.14563E-03 4780 0.805E-02 0.118E-01 RMM: 5 -0.319753722388E+03 0.33600E-04 -0.19939E-04 3884 0.355E-02 0.108E-01 RMM: 6 -0.319753635188E+03 0.87200E-04 -0.51958E-05 3221 0.217E-02 0.341E-02 RMM: 7 -0.319753631574E+03 0.36142E-05 -0.16666E-05 2510 0.122E-02 1750 T= 6408. E= 0.67471349E+03 F= 0.63651536E+03 E0= 0.66489659E+03 EK= 0.52187E+02 SP= -.15E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321730756616E+03 -0.19771E+01 -0.11848E-01 7632 0.243E+01 0.231E-01 RMM: 2 -0.321746428412E+03 -0.15672E-01 -0.76641E-02 5046 0.689E-01 0.119E+00 RMM: 3 -0.321736903884E+03 0.95245E-02 -0.93058E-03 5371 0.219E-01 0.238E-01 RMM: 4 -0.321736495706E+03 0.40818E-03 -0.91644E-04 4698 0.635E-02 0.739E-02 RMM: 5 -0.321736489495E+03 0.62111E-05 -0.12985E-04 3849 0.294E-02 1751 T= 6550. E= 0.67470845E+03 F= 0.63453250E+03 E0= 0.66291006E+03 EK= 0.53343E+02 SP= -.15E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324030468943E+03 -0.22940E+01 -0.12092E-01 7744 0.246E+01 0.122E-01 RMM: 2 -0.324039422610E+03 -0.89537E-02 -0.78276E-02 5041 0.679E-01 0.550E-01 RMM: 3 -0.324037408954E+03 0.20137E-02 -0.79887E-03 5861 0.163E-01 0.122E-01 RMM: 4 -0.324037227139E+03 0.18182E-03 -0.36204E-04 4254 0.480E-02 0.882E-02 RMM: 5 -0.324037169479E+03 0.57660E-04 -0.59581E-05 3291 0.235E-02 0.585E-02 RMM: 6 -0.324037159250E+03 0.10229E-04 -0.21803E-05 2526 0.134E-02 1752 T= 6728. E= 0.67470095E+03 F= 0.63223183E+03 E0= 0.66060913E+03 EK= 0.54792E+02 SP= -.14E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326535327289E+03 -0.24982E+01 -0.12767E-01 7736 0.249E+01 0.248E-01 RMM: 2 -0.326553665033E+03 -0.18338E-01 -0.10324E-01 4833 0.800E-01 0.121E+00 RMM: 3 -0.326543706734E+03 0.99583E-02 -0.12194E-02 5415 0.243E-01 0.242E-01 RMM: 4 -0.326543286769E+03 0.41996E-03 -0.11203E-03 4771 0.708E-02 0.860E-02 RMM: 5 -0.326543278511E+03 0.82586E-05 -0.16641E-04 3872 0.324E-02 1753 T= 6927. E= 0.67469141E+03 F= 0.62972571E+03 E0= 0.65810700E+03 EK= 0.56411E+02 SP= -.13E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329114092811E+03 -0.25708E+01 -0.12646E-01 7576 0.252E+01 0.204E-01 RMM: 2 -0.329130064569E+03 -0.15972E-01 -0.10058E-01 5065 0.787E-01 0.104E+00 RMM: 3 -0.329122721342E+03 0.73432E-02 -0.11077E-02 5531 0.216E-01 0.213E-01 RMM: 4 -0.329122379010E+03 0.34233E-03 -0.90334E-04 4677 0.670E-02 0.107E-01 RMM: 5 -0.329122293196E+03 0.85814E-04 -0.14644E-04 3855 0.313E-02 0.715E-02 RMM: 6 -0.329122267413E+03 0.25783E-04 -0.30753E-05 2739 0.164E-02 0.490E-02 RMM: 7 -0.329122259620E+03 0.77933E-05 -0.28000E-05 2551 0.152E-02 1754 T= 7130. E= 0.67468124E+03 F= 0.62714673E+03 E0= 0.65553368E+03 EK= 0.58059E+02 SP= -.12E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331626522053E+03 -0.25043E+01 -0.13731E-01 7712 0.255E+01 0.221E-01 RMM: 2 -0.331644062228E+03 -0.17540E-01 -0.12142E-01 4789 0.871E-01 0.103E+00 RMM: 3 -0.331636852845E+03 0.72094E-02 -0.14033E-02 5617 0.241E-01 0.219E-01 RMM: 4 -0.331636431598E+03 0.42125E-03 -0.97600E-04 4826 0.691E-02 0.867E-02 RMM: 5 -0.331636391578E+03 0.40021E-04 -0.14515E-04 3886 0.311E-02 0.676E-02 RMM: 6 -0.331636364368E+03 0.27210E-04 -0.29351E-05 2656 0.161E-02 0.308E-02 RMM: 7 -0.331636365140E+03 -0.77246E-06 -0.15072E-05 2488 0.127E-02 1755 T= 7317. E= 0.67467065E+03 F= 0.62463262E+03 E0= 0.65302879E+03 EK= 0.59589E+02 SP= -.11E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333945862080E+03 -0.23095E+01 -0.13203E-01 7656 0.257E+01 0.176E-01 RMM: 2 -0.333959990342E+03 -0.14128E-01 -0.12682E-01 4946 0.866E-01 0.673E-01 RMM: 3 -0.333957068973E+03 0.29214E-02 -0.14301E-02 5969 0.211E-01 0.150E-01 RMM: 4 -0.333956783300E+03 0.28567E-03 -0.74946E-04 4752 0.678E-02 0.132E-01 RMM: 5 -0.333956648807E+03 0.13449E-03 -0.13299E-04 3855 0.309E-02 0.590E-02 RMM: 6 -0.333956633282E+03 0.15525E-04 -0.25910E-05 2576 0.148E-02 1756 T= 7475. E= 0.67466190E+03 F= 0.62231236E+03 E0= 0.65071917E+03 EK= 0.60868E+02 SP= -.10E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335964739112E+03 -0.20081E+01 -0.14389E-01 7592 0.258E+01 0.165E-01 RMM: 2 -0.335982581532E+03 -0.17842E-01 -0.15206E-01 4882 0.931E-01 0.761E-01 RMM: 3 -0.335978413233E+03 0.41683E-02 -0.17056E-02 6021 0.227E-01 0.151E-01 RMM: 4 -0.335978016069E+03 0.39716E-03 -0.73562E-04 4786 0.645E-02 0.853E-02 RMM: 5 -0.335977963362E+03 0.52707E-04 -0.99569E-05 3879 0.276E-02 0.612E-02 RMM: 6 -0.335977949414E+03 0.13948E-04 -0.23402E-05 2541 0.145E-02 1757 T= 7588. E= 0.67465549E+03 F= 0.62029104E+03 E0= 0.64871197E+03 EK= 0.61789E+02 SP= -.93E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337617591955E+03 -0.16396E+01 -0.13320E-01 7504 0.258E+01 0.249E-01 RMM: 2 -0.337637927843E+03 -0.20336E-01 -0.10600E-01 4948 0.821E-01 0.130E+00 RMM: 3 -0.337626281735E+03 0.11646E-01 -0.13044E-02 5465 0.249E-01 0.190E-01 RMM: 4 -0.337626048268E+03 0.23347E-03 -0.10937E-03 4746 0.698E-02 0.118E-01 RMM: 5 -0.337625969130E+03 0.79138E-04 -0.15545E-04 3880 0.327E-02 0.791E-02 RMM: 6 -0.337625930996E+03 0.38134E-04 -0.34580E-05 2892 0.174E-02 0.424E-02 RMM: 7 -0.337625930626E+03 0.36909E-06 -0.19815E-05 2506 0.144E-02 1758 T= 7648. E= 0.67465135E+03 F= 0.61864306E+03 E0= 0.64708232E+03 EK= 0.62277E+02 SP= -.83E+01 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338850395423E+03 -0.12245E+01 -0.13843E-01 7520 0.258E+01 0.245E-01 RMM: 2 -0.338868668502E+03 -0.18273E-01 -0.11078E-01 4981 0.827E-01 0.116E+00 RMM: 3 -0.338859527404E+03 0.91411E-02 -0.13334E-02 5498 0.248E-01 0.232E-01 RMM: 4 -0.338859128360E+03 0.39904E-03 -0.11159E-03 4781 0.725E-02 0.102E-01 RMM: 5 -0.338859098234E+03 0.30126E-04 -0.15662E-04 3891 0.323E-02 0.955E-02 RMM: 6 -0.338859037072E+03 0.61162E-04 -0.35969E-05 2922 0.181E-02 0.334E-02 RMM: 7 -0.338859037734E+03 -0.66190E-06 -0.19731E-05 2513 0.137E-02 1759 T= 7650. E= 0.67464975E+03 F= 0.61740995E+03 E0= 0.64587168E+03 EK= 0.62297E+02 SP= -.73E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339661347014E+03 -0.80231E+00 -0.13234E-01 7624 0.256E+01 0.175E-01 RMM: 2 -0.339673550745E+03 -0.12204E-01 -0.85958E-02 4892 0.729E-01 0.847E-01 RMM: 3 -0.339668693436E+03 0.48573E-02 -0.10043E-02 5684 0.204E-01 0.140E-01 RMM: 4 -0.339668533477E+03 0.15996E-03 -0.56020E-04 4656 0.551E-02 0.107E-01 RMM: 5 -0.339668462305E+03 0.71173E-04 -0.90832E-05 3611 0.275E-02 0.622E-02 RMM: 6 -0.339668441489E+03 0.20816E-04 -0.26603E-05 2612 0.156E-02 0.381E-02 RMM: 7 -0.339668442465E+03 -0.97655E-06 -0.19244E-05 2509 0.135E-02 1760 T= 7595. E= 0.67464950E+03 F= 0.61660055E+03 E0= 0.64508845E+03 EK= 0.61847E+02 SP= -.62E+01 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340062366839E+03 -0.39393E+00 -0.13102E-01 7432 0.254E+01 0.154E-01 RMM: 2 -0.340072421481E+03 -0.10055E-01 -0.83267E-02 4807 0.723E-01 0.651E-01 RMM: 3 -0.340069614060E+03 0.28074E-02 -0.10317E-02 5843 0.200E-01 0.136E-01 RMM: 4 -0.340069424490E+03 0.18957E-03 -0.49656E-04 4595 0.553E-02 0.965E-02 RMM: 5 -0.340069363369E+03 0.61121E-04 -0.75936E-05 3441 0.265E-02 0.570E-02 RMM: 6 -0.340069348401E+03 0.14968E-04 -0.21443E-05 2525 0.139E-02 1761 T= 7485. E= 0.67465123E+03 F= 0.61619964E+03 E0= 0.64471624E+03 EK= 0.60956E+02 SP= -.51E+01 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340086841321E+03 -0.17478E-01 -0.13523E-01 7496 0.251E+01 0.143E-01 RMM: 2 -0.340100057142E+03 -0.13216E-01 -0.11223E-01 4706 0.820E-01 0.662E-01 RMM: 3 -0.340096989321E+03 0.30678E-02 -0.13803E-02 5837 0.222E-01 0.128E-01 RMM: 4 -0.340096742097E+03 0.24722E-03 -0.56238E-04 4751 0.569E-02 0.801E-02 RMM: 5 -0.340096698859E+03 0.43238E-04 -0.73813E-05 3420 0.267E-02 0.567E-02 RMM: 6 -0.340096687845E+03 0.11014E-04 -0.23746E-05 2518 0.154E-02 1762 T= 7328. E= 0.67465468E+03 F= 0.61617230E+03 E0= 0.64471797E+03 EK= 0.59673E+02 SP= -.39E+01 SK= 0.27E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339790623254E+03 0.30608E+00 -0.12787E-01 7464 0.248E+01 0.272E-01 RMM: 2 -0.339814366494E+03 -0.23743E-01 -0.87063E-02 4694 0.767E-01 0.155E+00 RMM: 3 -0.339797667430E+03 0.16699E-01 -0.13878E-02 5375 0.281E-01 0.246E-01 RMM: 4 -0.339797220370E+03 0.44706E-03 -0.12663E-03 4843 0.751E-02 0.666E-02 RMM: 5 -0.339797226052E+03 -0.56815E-05 -0.13847E-04 4018 0.296E-02 1763 T= 7130. E= 0.67465952E+03 F= 0.61647176E+03 E0= 0.64504433E+03 EK= 0.58061E+02 SP= -.28E+01 SK= 0.29E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339214017416E+03 0.58320E+00 -0.13188E-01 7672 0.245E+01 0.190E-01 RMM: 2 -0.339231818513E+03 -0.17801E-01 -0.11025E-01 4754 0.808E-01 0.106E+00 RMM: 3 -0.339223694854E+03 0.81237E-02 -0.13856E-02 5524 0.249E-01 0.176E-01 RMM: 4 -0.339223419738E+03 0.27512E-03 -0.87788E-04 4767 0.639E-02 0.904E-02 RMM: 5 -0.339223373562E+03 0.46175E-04 -0.10438E-04 3923 0.295E-02 0.638E-02 RMM: 6 -0.339223355864E+03 0.17699E-04 -0.24641E-05 2540 0.149E-02 1764 T= 6900. E= 0.67466486E+03 F= 0.61704563E+03 E0= 0.64564027E+03 EK= 0.56188E+02 SP= -.15E+01 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338424352511E+03 0.79902E+00 -0.12540E-01 7576 0.241E+01 0.265E-01 RMM: 2 -0.338449450262E+03 -0.25098E-01 -0.98310E-02 4649 0.798E-01 0.156E+00 RMM: 3 -0.338432552736E+03 0.16898E-01 -0.14251E-02 5380 0.280E-01 0.259E-01 RMM: 4 -0.338432070403E+03 0.48233E-03 -0.13167E-03 4799 0.756E-02 0.794E-02 RMM: 5 -0.338432070235E+03 0.16802E-06 -0.15872E-04 3914 0.328E-02 1765 T= 6647. E= 0.67467150E+03 F= 0.61783692E+03 E0= 0.64644790E+03 EK= 0.54128E+02 SP= -.32E+00 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337478876991E+03 0.95319E+00 -0.12132E-01 7816 0.238E+01 0.197E-01 RMM: 2 -0.337496212742E+03 -0.17336E-01 -0.89133E-02 4805 0.728E-01 0.117E+00 RMM: 3 -0.337486577194E+03 0.96355E-02 -0.11424E-02 5408 0.242E-01 0.214E-01 RMM: 4 -0.337486291330E+03 0.28586E-03 -0.91086E-04 4797 0.631E-02 0.853E-02 RMM: 5 -0.337486239538E+03 0.51791E-04 -0.10028E-04 3805 0.287E-02 0.585E-02 RMM: 6 -0.337486225518E+03 0.14021E-04 -0.25433E-05 2550 0.149E-02 1766 T= 6380. E= 0.67467859E+03 F= 0.61878276E+03 E0= 0.64740342E+03 EK= 0.51957E+02 SP= 0.91E+00 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336446086328E+03 0.10402E+01 -0.11951E-01 7640 0.234E+01 0.215E-01 RMM: 2 -0.336464352406E+03 -0.18266E-01 -0.10586E-01 4665 0.807E-01 0.114E+00 RMM: 3 -0.336455235080E+03 0.91173E-02 -0.13469E-02 5544 0.248E-01 0.206E-01 RMM: 4 -0.336454899251E+03 0.33583E-03 -0.99274E-04 4731 0.683E-02 0.869E-02 RMM: 5 -0.336454875755E+03 0.23496E-04 -0.13589E-04 3968 0.294E-02 0.817E-02 RMM: 6 -0.336454835370E+03 0.40385E-04 -0.30633E-05 2735 0.170E-02 0.306E-02 RMM: 7 -0.336454838267E+03 -0.28970E-05 -0.14993E-05 2489 0.127E-02 1767 T= 6110. E= 0.67468475E+03 F= 0.61981415E+03 E0= 0.64843909E+03 EK= 0.49754E+02 SP= 0.21E+01 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335406275123E+03 0.10486E+01 -0.10886E-01 7672 0.229E+01 0.257E-01 RMM: 2 -0.335425799193E+03 -0.19524E-01 -0.84636E-02 4859 0.735E-01 0.137E+00 RMM: 3 -0.335413158108E+03 0.12641E-01 -0.11516E-02 5443 0.243E-01 0.251E-01 RMM: 4 -0.335412733259E+03 0.42485E-03 -0.11708E-03 4702 0.755E-02 0.972E-02 RMM: 5 -0.335412706488E+03 0.26771E-04 -0.15454E-04 3895 0.311E-02 0.864E-02 RMM: 6 -0.335412656135E+03 0.50353E-04 -0.33583E-05 2893 0.180E-02 0.262E-02 RMM: 7 -0.335412655538E+03 0.59675E-06 -0.12946E-05 2483 0.116E-02 1768 T= 5846. E= 0.67469092E+03 F= 0.62085633E+03 E0= 0.64948068E+03 EK= 0.47605E+02 SP= 0.33E+01 SK= 0.29E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334426449150E+03 0.98621E+00 -0.10819E-01 7480 0.225E+01 0.163E-01 RMM: 2 -0.334438644161E+03 -0.12195E-01 -0.94753E-02 4857 0.746E-01 0.752E-01 RMM: 3 -0.334434776027E+03 0.38681E-02 -0.11211E-02 5829 0.200E-01 0.145E-01 RMM: 4 -0.334434516021E+03 0.26001E-03 -0.56191E-04 4646 0.556E-02 0.903E-02 RMM: 5 -0.334434466275E+03 0.49746E-04 -0.83460E-05 3570 0.252E-02 0.669E-02 RMM: 6 -0.334434441439E+03 0.24836E-04 -0.25347E-05 2561 0.156E-02 0.337E-02 RMM: 7 -0.334434439683E+03 0.17565E-05 -0.16683E-05 2488 0.126E-02 1769 T= 5598. E= 0.67469681E+03 F= 0.62183455E+03 E0= 0.65045613E+03 EK= 0.45589E+02 SP= 0.45E+01 SK= 0.27E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333582601242E+03 0.85184E+00 -0.97087E-02 7608 0.221E+01 0.158E-01 RMM: 2 -0.333591412851E+03 -0.88116E-02 -0.68411E-02 4962 0.653E-01 0.685E-01 RMM: 3 -0.333588432437E+03 0.29804E-02 -0.79660E-03 5826 0.174E-01 0.141E-01 RMM: 4 -0.333588229683E+03 0.20275E-03 -0.43305E-04 4539 0.489E-02 0.823E-02 RMM: 5 -0.333588188655E+03 0.41028E-04 -0.63450E-05 3427 0.225E-02 0.585E-02 RMM: 6 -0.333588172252E+03 0.16403E-04 -0.20305E-05 2527 0.139E-02 1770 T= 5376. E= 0.67470180E+03 F= 0.62268082E+03 E0= 0.65129815E+03 EK= 0.43776E+02 SP= 0.57E+01 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332920890277E+03 0.66730E+00 -0.94749E-02 7528 0.217E+01 0.156E-01 RMM: 2 -0.332932771374E+03 -0.11881E-01 -0.85016E-02 4830 0.708E-01 0.798E-01 RMM: 3 -0.332928414216E+03 0.43572E-02 -0.10349E-02 5738 0.196E-01 0.134E-01 RMM: 4 -0.332928199760E+03 0.21446E-03 -0.52097E-04 4734 0.505E-02 0.773E-02 RMM: 5 -0.332928152363E+03 0.47397E-04 -0.67635E-05 3408 0.240E-02 0.521E-02 RMM: 6 -0.332928142742E+03 0.96214E-05 -0.21388E-05 2518 0.138E-02 1771 T= 5185. E= 0.67470541E+03 F= 0.62334085E+03 E0= 0.65195407E+03 EK= 0.42220E+02 SP= 0.68E+01 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332482645529E+03 0.44551E+00 -0.87402E-02 7632 0.214E+01 0.234E-01 RMM: 2 -0.332501597397E+03 -0.18952E-01 -0.71122E-02 4933 0.674E-01 0.138E+00 RMM: 3 -0.332488257507E+03 0.13340E-01 -0.96019E-03 5383 0.229E-01 0.196E-01 RMM: 4 -0.332487972268E+03 0.28524E-03 -0.90931E-04 4672 0.619E-02 0.590E-02 RMM: 5 -0.332487963630E+03 0.86383E-05 -0.10387E-04 3938 0.255E-02 1772 T= 5029. E= 0.67470767E+03 F= 0.62378103E+03 E0= 0.65239098E+03 EK= 0.40951E+02 SP= 0.78E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332269990329E+03 0.21798E+00 -0.86688E-02 7480 0.211E+01 0.178E-01 RMM: 2 -0.332282590279E+03 -0.12600E-01 -0.78938E-02 4824 0.690E-01 0.913E-01 RMM: 3 -0.332276885196E+03 0.57051E-02 -0.96121E-03 5537 0.204E-01 0.212E-01 RMM: 4 -0.332276521062E+03 0.36413E-03 -0.72746E-04 4687 0.596E-02 0.666E-02 RMM: 5 -0.332276497324E+03 0.23738E-04 -0.95899E-05 3852 0.254E-02 0.623E-02 RMM: 6 -0.332276476829E+03 0.20494E-04 -0.20454E-05 2545 0.132E-02 0.433E-02 RMM: 7 -0.332276480090E+03 -0.32601E-05 -0.27464E-05 2558 0.162E-02 1773 T= 4909. E= 0.67470788E+03 F= 0.62399251E+03 E0= 0.65260117E+03 EK= 0.39974E+02 SP= 0.88E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332275828121E+03 0.64871E-03 -0.86988E-02 7568 0.209E+01 0.194E-01 RMM: 2 -0.332286011128E+03 -0.10183E-01 -0.73296E-02 4740 0.677E-01 0.798E-01 RMM: 3 -0.332281788082E+03 0.42230E-02 -0.90782E-03 5654 0.196E-01 0.146E-01 RMM: 4 -0.332281666518E+03 0.12156E-03 -0.66050E-04 4699 0.566E-02 0.125E-01 RMM: 5 -0.332281599485E+03 0.67033E-04 -0.11475E-04 3704 0.278E-02 0.840E-02 RMM: 6 -0.332281553704E+03 0.45781E-04 -0.35484E-05 2983 0.184E-02 0.194E-02 RMM: 7 -0.332281557662E+03 -0.39578E-05 -0.11325E-05 2483 0.107E-02 1774 T= 4823. E= 0.67470634E+03 F= 0.62398743E+03 E0= 0.65259684E+03 EK= 0.39273E+02 SP= 0.98E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332470192482E+03 -0.18864E+00 -0.85522E-02 7872 0.208E+01 0.167E-01 RMM: 2 -0.332481863497E+03 -0.11671E-01 -0.77723E-02 4871 0.673E-01 0.858E-01 RMM: 3 -0.332476829549E+03 0.50339E-02 -0.91252E-03 5775 0.186E-01 0.135E-01 RMM: 4 -0.332476613766E+03 0.21578E-03 -0.51977E-04 4641 0.505E-02 0.837E-02 RMM: 5 -0.332476563503E+03 0.50263E-04 -0.76114E-05 3556 0.247E-02 0.514E-02 RMM: 6 -0.332476549687E+03 0.13816E-04 -0.21969E-05 2542 0.136E-02 1775 T= 4767. E= 0.67470468E+03 F= 0.62379244E+03 E0= 0.65240582E+03 EK= 0.38820E+02 SP= 0.11E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332822454446E+03 -0.34589E+00 -0.83809E-02 7624 0.206E+01 0.163E-01 RMM: 2 -0.332834205289E+03 -0.11751E-01 -0.74062E-02 4913 0.647E-01 0.875E-01 RMM: 3 -0.332828828905E+03 0.53764E-02 -0.86213E-03 5645 0.182E-01 0.154E-01 RMM: 4 -0.332828589973E+03 0.23893E-03 -0.54075E-04 4635 0.497E-02 0.736E-02 RMM: 5 -0.332828554867E+03 0.35106E-04 -0.71204E-05 3516 0.235E-02 0.566E-02 RMM: 6 -0.332828541783E+03 0.13084E-04 -0.21995E-05 2543 0.138E-02 1776 T= 4737. E= 0.67470288E+03 F= 0.62344045E+03 E0= 0.65206143E+03 EK= 0.38578E+02 SP= 0.11E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333299898960E+03 -0.47134E+00 -0.82255E-02 7720 0.206E+01 0.349E-01 RMM: 2 -0.333332257324E+03 -0.32358E-01 -0.79773E-02 4967 0.710E-01 0.197E+00 RMM: 3 -0.333305407823E+03 0.26850E-01 -0.13903E-02 5365 0.292E-01 0.329E-01 RMM: 4 -0.333304623856E+03 0.78397E-03 -0.16910E-03 4767 0.856E-02 0.857E-02 RMM: 5 -0.333304653593E+03 -0.29737E-04 -0.21465E-04 3912 0.336E-02 0.115E-01 RMM: 6 -0.333304567021E+03 0.86572E-04 -0.43252E-05 3081 0.200E-02 0.413E-02 RMM: 7 -0.333304561586E+03 0.54351E-05 -0.16218E-05 2503 0.124E-02 1777 T= 4729. E= 0.67470140E+03 F= 0.62296443E+03 E0= 0.65159704E+03 EK= 0.38512E+02 SP= 0.12E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333871318351E+03 -0.56675E+00 -0.82481E-02 7744 0.205E+01 0.276E-01 RMM: 2 -0.333893814507E+03 -0.22496E-01 -0.77093E-02 4886 0.665E-01 0.153E+00 RMM: 3 -0.333877551545E+03 0.16263E-01 -0.11615E-02 5379 0.253E-01 0.292E-01 RMM: 4 -0.333876992406E+03 0.55914E-03 -0.14303E-03 4682 0.794E-02 0.107E-01 RMM: 5 -0.333876996845E+03 -0.44391E-05 -0.20010E-04 3894 0.355E-02 0.114E-01 RMM: 6 -0.333876901577E+03 0.95269E-04 -0.50074E-05 3210 0.210E-02 0.326E-02 RMM: 7 -0.333876900211E+03 0.13656E-05 -0.16516E-05 2506 0.125E-02 1778 T= 4739. E= 0.67470002E+03 F= 0.62239209E+03 E0= 0.65104089E+03 EK= 0.38592E+02 SP= 0.13E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334515372655E+03 -0.63847E+00 -0.87300E-02 7792 0.205E+01 0.234E-01 RMM: 2 -0.334534497696E+03 -0.19125E-01 -0.83099E-02 4842 0.698E-01 0.134E+00 RMM: 3 -0.334522113655E+03 0.12384E-01 -0.10771E-02 5450 0.229E-01 0.201E-01 RMM: 4 -0.334521805505E+03 0.30815E-03 -0.98144E-04 4784 0.622E-02 0.782E-02 RMM: 5 -0.334521791287E+03 0.14218E-04 -0.12483E-04 3851 0.291E-02 1779 T= 4764. E= 0.67469929E+03 F= 0.62174720E+03 E0= 0.65041631E+03 EK= 0.38792E+02 SP= 0.13E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335210000516E+03 -0.68820E+00 -0.90097E-02 7896 0.205E+01 0.111E-01 RMM: 2 -0.335220539241E+03 -0.10539E-01 -0.89665E-02 4783 0.689E-01 0.562E-01 RMM: 3 -0.335218208471E+03 0.23308E-02 -0.10653E-02 6244 0.180E-01 0.108E-01 RMM: 4 -0.335217954988E+03 0.25348E-03 -0.38545E-04 4608 0.459E-02 0.761E-02 RMM: 5 -0.335217920245E+03 0.34743E-04 -0.45377E-05 2891 0.221E-02 0.567E-02 RMM: 6 -0.335217916921E+03 0.33240E-05 -0.24059E-05 2530 0.144E-02 1780 T= 4800. E= 0.67469801E+03 F= 0.62105107E+03 E0= 0.64974301E+03 EK= 0.39089E+02 SP= 0.14E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335931300920E+03 -0.71338E+00 -0.10134E-01 7776 0.206E+01 0.253E-01 RMM: 2 -0.335957362783E+03 -0.26062E-01 -0.12363E-01 4655 0.831E-01 0.147E+00 RMM: 3 -0.335941722824E+03 0.15640E-01 -0.15459E-02 5481 0.262E-01 0.200E-01 RMM: 4 -0.335941402546E+03 0.32028E-03 -0.14150E-03 5096 0.721E-02 0.956E-02 RMM: 5 -0.335941387110E+03 0.15436E-04 -0.16904E-04 3920 0.318E-02 1781 T= 4845. E= 0.67469644E+03 F= 0.62032760E+03 E0= 0.64904398E+03 EK= 0.39458E+02 SP= 0.15E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336655654117E+03 -0.71425E+00 -0.94108E-02 8216 0.207E+01 0.242E-01 RMM: 2 -0.336677414304E+03 -0.21760E-01 -0.95613E-02 4906 0.721E-01 0.141E+00 RMM: 3 -0.336663503533E+03 0.13911E-01 -0.12136E-02 5432 0.245E-01 0.231E-01 RMM: 4 -0.336663115641E+03 0.38789E-03 -0.11778E-03 5002 0.668E-02 0.839E-02 RMM: 5 -0.336663079709E+03 0.35933E-04 -0.13562E-04 3841 0.310E-02 0.801E-02 RMM: 6 -0.336663041357E+03 0.38352E-04 -0.32673E-05 2840 0.170E-02 0.429E-02 RMM: 7 -0.336663046299E+03 -0.49412E-05 -0.20186E-05 2536 0.136E-02 1782 T= 4896. E= 0.67469473E+03 F= 0.61960594E+03 E0= 0.64834571E+03 EK= 0.39869E+02 SP= 0.15E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337343312949E+03 -0.68027E+00 -0.95559E-02 8320 0.208E+01 0.161E-01 RMM: 2 -0.337356650005E+03 -0.13337E-01 -0.92849E-02 4811 0.675E-01 0.844E-01 RMM: 3 -0.337351298924E+03 0.53511E-02 -0.10061E-02 5724 0.193E-01 0.141E-01 RMM: 4 -0.337351085770E+03 0.21315E-03 -0.61577E-04 4742 0.530E-02 0.854E-02 RMM: 5 -0.337351049910E+03 0.35860E-04 -0.81847E-05 3567 0.244E-02 0.576E-02 RMM: 6 -0.337351029920E+03 0.19989E-04 -0.23138E-05 2576 0.149E-02 1783 T= 4948. E= 0.67469261E+03 F= 0.61891796E+03 E0= 0.64767877E+03 EK= 0.40290E+02 SP= 0.15E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337967819433E+03 -0.61677E+00 -0.98133E-02 8360 0.210E+01 0.130E-01 RMM: 2 -0.337979262650E+03 -0.11443E-01 -0.92809E-02 4987 0.663E-01 0.650E-01 RMM: 3 -0.337975793881E+03 0.34688E-02 -0.91262E-03 5933 0.178E-01 0.123E-01 RMM: 4 -0.337975585447E+03 0.20843E-03 -0.44838E-04 4552 0.476E-02 0.778E-02 RMM: 5 -0.337975538624E+03 0.46822E-04 -0.60012E-05 3331 0.223E-02 0.523E-02 RMM: 6 -0.337975528473E+03 0.10151E-04 -0.20031E-05 2515 0.134E-02 1784 T= 4997. E= 0.67469057E+03 F= 0.61829346E+03 E0= 0.64707019E+03 EK= 0.40689E+02 SP= 0.16E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338506425405E+03 -0.53089E+00 -0.10239E-01 8424 0.211E+01 0.173E-01 RMM: 2 -0.338520271465E+03 -0.13846E-01 -0.88151E-02 4995 0.649E-01 0.940E-01 RMM: 3 -0.338513726706E+03 0.65448E-02 -0.89006E-03 5556 0.198E-01 0.170E-01 RMM: 4 -0.338513487902E+03 0.23880E-03 -0.70079E-04 5002 0.525E-02 0.654E-02 RMM: 5 -0.338513467637E+03 0.20265E-04 -0.72227E-05 3519 0.232E-02 0.667E-02 RMM: 6 -0.338513445335E+03 0.22302E-04 -0.20544E-05 2542 0.139E-02 0.420E-02 RMM: 7 -0.338513457607E+03 -0.12272E-04 -0.25520E-05 2614 0.151E-02 1785 T= 5040. E= 0.67468913E+03 F= 0.61775553E+03 E0= 0.64654316E+03 EK= 0.41045E+02 SP= 0.16E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338947652450E+03 -0.43421E+00 -0.10620E-01 8480 0.212E+01 0.213E-01 RMM: 2 -0.338963269116E+03 -0.15617E-01 -0.97967E-02 4925 0.685E-01 0.102E+00 RMM: 3 -0.338955641967E+03 0.76271E-02 -0.10239E-02 5547 0.214E-01 0.220E-01 RMM: 4 -0.338955290398E+03 0.35157E-03 -0.95499E-04 4698 0.669E-02 0.987E-02 RMM: 5 -0.338955307439E+03 -0.17041E-04 -0.15512E-04 3863 0.315E-02 1786 T= 5078. E= 0.67468961E+03 F= 0.61731368E+03 E0= 0.64610553E+03 EK= 0.41349E+02 SP= 0.16E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339297458758E+03 -0.34217E+00 -0.11394E-01 8512 0.213E+01 0.154E-01 RMM: 2 -0.339311325079E+03 -0.13866E-01 -0.10276E-01 5164 0.687E-01 0.814E-01 RMM: 3 -0.339306202184E+03 0.51229E-02 -0.95999E-03 5851 0.189E-01 0.128E-01 RMM: 4 -0.339305998428E+03 0.20376E-03 -0.52835E-04 4719 0.481E-02 0.875E-02 RMM: 5 -0.339305940175E+03 0.58253E-04 -0.67019E-05 3424 0.230E-02 0.548E-02 RMM: 6 -0.339305932605E+03 0.75708E-05 -0.26227E-05 2558 0.152E-02 1787 T= 5109. E= 0.67469175E+03 F= 0.61696306E+03 E0= 0.64575470E+03 EK= 0.41605E+02 SP= 0.16E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339580827202E+03 -0.27489E+00 -0.11035E-01 8544 0.214E+01 0.237E-01 RMM: 2 -0.339602840745E+03 -0.22014E-01 -0.91402E-02 5077 0.649E-01 0.143E+00 RMM: 3 -0.339588177859E+03 0.14663E-01 -0.10359E-02 5403 0.230E-01 0.220E-01 RMM: 4 -0.339587839644E+03 0.33822E-03 -0.11059E-03 4931 0.643E-02 0.781E-02 RMM: 5 -0.339587819504E+03 0.20140E-04 -0.11131E-04 3738 0.274E-02 0.774E-02 RMM: 6 -0.339587780526E+03 0.38978E-04 -0.24521E-05 2607 0.151E-02 0.361E-02 RMM: 7 -0.339587780396E+03 0.13010E-06 -0.14143E-05 2491 0.121E-02 1788 T= 5137. E= 0.67469377E+03 F= 0.61668121E+03 E0= 0.64546781E+03 EK= 0.41834E+02 SP= 0.16E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.339828652299E+03 -0.24087E+00 -0.11094E-01 8488 0.215E+01 0.294E-01 RMM: 2 -0.339857692453E+03 -0.29040E-01 -0.98257E-02 5144 0.705E-01 0.175E+00 RMM: 3 -0.339836304365E+03 0.21388E-01 -0.12604E-02 5411 0.258E-01 0.272E-01 RMM: 4 -0.339835759392E+03 0.54497E-03 -0.14544E-03 4757 0.782E-02 0.102E-01 RMM: 5 -0.339835767630E+03 -0.82380E-05 -0.19274E-04 3884 0.346E-02 1789 T= 5166. E= 0.67469705E+03 F= 0.61643322E+03 E0= 0.64521110E+03 EK= 0.42071E+02 SP= 0.16E+02 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.340082293376E+03 -0.24653E+00 -0.10900E-01 8408 0.215E+01 0.155E-01 RMM: 2 -0.340096357736E+03 -0.14064E-01 -0.96672E-02 5224 0.669E-01 0.879E-01 RMM: 3 -0.340090561598E+03 0.57961E-02 -0.91728E-03 5681 0.186E-01 0.146E-01 RMM: 4 -0.340090324273E+03 0.23733E-03 -0.57354E-04 4901 0.472E-02 0.757E-02 RMM: 5 -0.340090277122E+03 0.47152E-04 -0.53554E-05 3070 0.214E-02 0.596E-02 RMM: 6 -0.340090267094E+03 0.10027E-04 -0.25883E-05 2575 0.151E-02 1790 T= 5201. E= 0.67470042E+03 F= 0.61617872E+03 E0= 0.64494714E+03 EK= 0.42355E+02 SP= 0.16E+02 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340384648451E+03 -0.29437E+00 -0.10411E-01 8304 0.215E+01 0.272E-01 RMM: 2 -0.340411541708E+03 -0.26893E-01 -0.94493E-02 4993 0.688E-01 0.167E+00 RMM: 3 -0.340392258264E+03 0.19283E-01 -0.12914E-02 5403 0.259E-01 0.245E-01 RMM: 4 -0.340391826170E+03 0.43209E-03 -0.13540E-03 4905 0.711E-02 0.808E-02 RMM: 5 -0.340391802346E+03 0.23824E-04 -0.13704E-04 3877 0.279E-02 0.827E-02 RMM: 6 -0.340391760349E+03 0.41997E-04 -0.26367E-05 2654 0.159E-02 0.379E-02 RMM: 7 -0.340391760003E+03 0.34593E-06 -0.13898E-05 2498 0.118E-02 1791 T= 5247. E= 0.67470243E+03 F= 0.61587723E+03 E0= 0.64463531E+03 EK= 0.42725E+02 SP= 0.16E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340765860042E+03 -0.37410E+00 -0.10088E-01 7944 0.216E+01 0.337E-01 RMM: 2 -0.340799536358E+03 -0.33676E-01 -0.99369E-02 4974 0.746E-01 0.197E+00 RMM: 3 -0.340773370381E+03 0.26166E-01 -0.15175E-02 5392 0.292E-01 0.327E-01 RMM: 4 -0.340772602313E+03 0.76807E-03 -0.18240E-03 4824 0.881E-02 0.109E-01 RMM: 5 -0.340772625983E+03 -0.23670E-04 -0.25212E-04 3890 0.385E-02 0.127E-01 RMM: 6 -0.340772512533E+03 0.11345E-03 -0.63612E-05 3372 0.232E-02 0.372E-02 RMM: 7 -0.340772506935E+03 0.55981E-05 -0.16080E-05 2518 0.123E-02 1792 T= 5307. E= 0.67470382E+03 F= 0.61549648E+03 E0= 0.64424475E+03 EK= 0.43213E+02 SP= 0.16E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341245723692E+03 -0.47321E+00 -0.98646E-02 7896 0.217E+01 0.208E-01 RMM: 2 -0.341263712905E+03 -0.17989E-01 -0.90576E-02 4872 0.697E-01 0.121E+00 RMM: 3 -0.341253425005E+03 0.10288E-01 -0.10976E-02 5497 0.220E-01 0.181E-01 RMM: 4 -0.341253149698E+03 0.27531E-03 -0.89035E-04 4885 0.592E-02 0.751E-02 RMM: 5 -0.341253117002E+03 0.32696E-04 -0.99124E-05 3756 0.260E-02 0.654E-02 RMM: 6 -0.341253091741E+03 0.25261E-04 -0.21185E-05 2545 0.137E-02 0.385E-02 RMM: 7 -0.341253093087E+03 -0.13457E-05 -0.15361E-05 2511 0.121E-02 1793 T= 5383. E= 0.67470402E+03 F= 0.61501590E+03 E0= 0.64375491E+03 EK= 0.43839E+02 SP= 0.16E+02 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341831853324E+03 -0.57876E+00 -0.96975E-02 7752 0.218E+01 0.160E-01 RMM: 2 -0.341844108399E+03 -0.12255E-01 -0.89434E-02 4872 0.702E-01 0.792E-01 RMM: 3 -0.341839700837E+03 0.44076E-02 -0.10195E-02 5794 0.188E-01 0.164E-01 RMM: 4 -0.341839386090E+03 0.31475E-03 -0.59390E-04 4604 0.555E-02 0.702E-02 RMM: 5 -0.341839370480E+03 0.15610E-04 -0.82785E-05 3602 0.246E-02 1794 T= 5478. E= 0.67470364E+03 F= 0.61442962E+03 E0= 0.64316077E+03 EK= 0.44608E+02 SP= 0.16E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342512886168E+03 -0.67350E+00 -0.93171E-02 7736 0.220E+01 0.106E-01 RMM: 2 -0.342521839950E+03 -0.89538E-02 -0.81804E-02 4947 0.669E-01 0.465E-01 RMM: 3 -0.342520230645E+03 0.16093E-02 -0.87332E-03 6059 0.164E-01 0.105E-01 RMM: 4 -0.342520044370E+03 0.18628E-03 -0.35402E-04 4446 0.453E-02 0.742E-02 RMM: 5 -0.342520010114E+03 0.34256E-04 -0.38172E-05 2778 0.201E-02 0.591E-02 RMM: 6 -0.342520003171E+03 0.69429E-05 -0.20904E-05 2507 0.139E-02 1795 T= 5588. E= 0.67470218E+03 F= 0.61374899E+03 E0= 0.64247288E+03 EK= 0.45507E+02 SP= 0.15E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343260010112E+03 -0.74000E+00 -0.93436E-02 7752 0.222E+01 0.219E-01 RMM: 2 -0.343278498159E+03 -0.18488E-01 -0.81767E-02 4841 0.678E-01 0.129E+00 RMM: 3 -0.343266673961E+03 0.11824E-01 -0.10262E-02 5446 0.220E-01 0.180E-01 RMM: 4 -0.343266435040E+03 0.23892E-03 -0.91626E-04 4765 0.615E-02 0.817E-02 RMM: 5 -0.343266424341E+03 0.10699E-04 -0.12034E-04 3842 0.277E-02 1796 T= 5711. E= 0.67469928E+03 F= 0.61300256E+03 E0= 0.64172069E+03 EK= 0.46506E+02 SP= 0.15E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344029369809E+03 -0.76293E+00 -0.96489E-02 7728 0.224E+01 0.221E-01 RMM: 2 -0.344049032269E+03 -0.19662E-01 -0.87205E-02 4985 0.708E-01 0.134E+00 RMM: 3 -0.344036529393E+03 0.12503E-01 -0.10651E-02 5433 0.226E-01 0.204E-01 RMM: 4 -0.344036232239E+03 0.29715E-03 -0.98149E-04 4734 0.650E-02 0.940E-02 RMM: 5 -0.344036186076E+03 0.46163E-04 -0.12677E-04 3880 0.292E-02 0.740E-02 RMM: 6 -0.344036154712E+03 0.31364E-04 -0.26931E-05 2608 0.155E-02 0.446E-02 RMM: 7 -0.344036155044E+03 -0.33163E-06 -0.21223E-05 2520 0.141E-02 1797 T= 5840. E= 0.67469579E+03 F= 0.61223283E+03 E0= 0.64094468E+03 EK= 0.47559E+02 SP= 0.15E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344771494172E+03 -0.73534E+00 -0.10060E-01 7712 0.225E+01 0.161E-01 RMM: 2 -0.344784504317E+03 -0.13010E-01 -0.91803E-02 4758 0.711E-01 0.837E-01 RMM: 3 -0.344779458774E+03 0.50455E-02 -0.10612E-02 5759 0.195E-01 0.153E-01 RMM: 4 -0.344779189173E+03 0.26960E-03 -0.58769E-04 4667 0.546E-02 0.770E-02 RMM: 5 -0.344779162736E+03 0.26436E-04 -0.83185E-05 3604 0.259E-02 0.545E-02 RMM: 6 -0.344779144921E+03 0.17815E-04 -0.20774E-05 2534 0.137E-02 1798 T= 5970. E= 0.67469229E+03 F= 0.61148984E+03 E0= 0.64019593E+03 EK= 0.48615E+02 SP= 0.14E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345438085579E+03 -0.65892E+00 -0.94574E-02 7704 0.227E+01 0.123E-01 RMM: 2 -0.345447542298E+03 -0.94567E-02 -0.78016E-02 4996 0.644E-01 0.603E-01 RMM: 3 -0.345444799203E+03 0.27431E-02 -0.82183E-03 5859 0.167E-01 0.112E-01 RMM: 4 -0.345444637011E+03 0.16219E-03 -0.39532E-04 4344 0.465E-02 0.893E-02 RMM: 5 -0.345444575842E+03 0.61169E-04 -0.57991E-05 3271 0.233E-02 0.524E-02 RMM: 6 -0.345444566397E+03 0.94453E-05 -0.19305E-05 2501 0.130E-02 1799 T= 6093. E= 0.67468943E+03 F= 0.61082442E+03 E0= 0.63952296E+03 EK= 0.49620E+02 SP= 0.14E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345980665336E+03 -0.53609E+00 -0.99229E-02 7704 0.229E+01 0.174E-01 RMM: 2 -0.345994635646E+03 -0.13970E-01 -0.82731E-02 4868 0.673E-01 0.987E-01 RMM: 3 -0.345987660464E+03 0.69752E-02 -0.95862E-03 5569 0.201E-01 0.179E-01 RMM: 4 -0.345987384596E+03 0.27587E-03 -0.68385E-04 4728 0.548E-02 0.591E-02 RMM: 5 -0.345987361327E+03 0.23269E-04 -0.72085E-05 3538 0.229E-02 0.529E-02 RMM: 6 -0.345987351995E+03 0.93325E-05 -0.18509E-05 2511 0.130E-02 1800 T= 6204. E= 0.67468728E+03 F= 0.61028164E+03 E0= 0.63897164E+03 EK= 0.50525E+02 SP= 0.14E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346367789838E+03 -0.38043E+00 -0.99455E-02 7864 0.230E+01 0.221E-01 RMM: 2 -0.346383836935E+03 -0.16047E-01 -0.71640E-02 4994 0.624E-01 0.122E+00 RMM: 3 -0.346373457482E+03 0.10379E-01 -0.88583E-03 5408 0.215E-01 0.232E-01 RMM: 4 -0.346373076188E+03 0.38129E-03 -0.92172E-04 4654 0.638E-02 0.787E-02 RMM: 5 -0.346373052342E+03 0.23846E-04 -0.10956E-04 3856 0.271E-02 0.746E-02 RMM: 6 -0.346373019701E+03 0.32641E-04 -0.21573E-05 2560 0.140E-02 0.420E-02 RMM: 7 -0.346373019310E+03 0.39115E-06 -0.15018E-05 2491 0.125E-02 1801 T= 6298. E= 0.67468574E+03 F= 0.60989597E+03 E0= 0.63857375E+03 EK= 0.51289E+02 SP= 0.13E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346573745252E+03 -0.20073E+00 -0.98463E-02 7528 0.232E+01 0.196E-01 RMM: 2 -0.346588289177E+03 -0.14544E-01 -0.78794E-02 4846 0.649E-01 0.107E+00 RMM: 3 -0.346580148890E+03 0.81403E-02 -0.92479E-03 5510 0.210E-01 0.197E-01 RMM: 4 -0.346579885532E+03 0.26336E-03 -0.82296E-04 4650 0.620E-02 0.894E-02 RMM: 5 -0.346579875744E+03 0.97878E-05 -0.11200E-04 3788 0.277E-02 1802 T= 6372. E= 0.67468614E+03 F= 0.60968911E+03 E0= 0.63835033E+03 EK= 0.51890E+02 SP= 0.13E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346594366096E+03 -0.14481E-01 -0.98119E-02 7680 0.233E+01 0.149E-01 RMM: 2 -0.346605541339E+03 -0.11175E-01 -0.70902E-02 5243 0.592E-01 0.857E-01 RMM: 3 -0.346600096502E+03 0.54448E-02 -0.65959E-03 5565 0.166E-01 0.136E-01 RMM: 4 -0.346599933480E+03 0.16302E-03 -0.42700E-04 4543 0.422E-02 0.727E-02 RMM: 5 -0.346599893520E+03 0.39960E-04 -0.39441E-05 2746 0.199E-02 0.558E-02 RMM: 6 -0.346599886693E+03 0.68268E-05 -0.20718E-05 2505 0.137E-02 1803 T= 6424. E= 0.67468767E+03 F= 0.60966910E+03 E0= 0.63830819E+03 EK= 0.52313E+02 SP= 0.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346430573271E+03 0.16932E+00 -0.10428E-01 7528 0.234E+01 0.220E-01 RMM: 2 -0.346448905469E+03 -0.18332E-01 -0.84042E-02 4815 0.678E-01 0.127E+00 RMM: 3 -0.346437437321E+03 0.11468E-01 -0.10674E-02 5451 0.230E-01 0.203E-01 RMM: 4 -0.346437134715E+03 0.30261E-03 -0.94107E-04 4784 0.618E-02 0.760E-02 RMM: 5 -0.346437117677E+03 0.17038E-04 -0.10349E-04 3801 0.265E-02 1804 T= 6454. E= 0.67468962E+03 F= 0.60983187E+03 E0= 0.63844291E+03 EK= 0.52560E+02 SP= 0.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346096641096E+03 0.34049E+00 -0.10321E-01 7608 0.234E+01 0.224E-01 RMM: 2 -0.346115254844E+03 -0.18614E-01 -0.79463E-02 5138 0.651E-01 0.132E+00 RMM: 3 -0.346102928294E+03 0.12327E-01 -0.92298E-03 5425 0.219E-01 0.247E-01 RMM: 4 -0.346102483071E+03 0.44522E-03 -0.95882E-04 4681 0.655E-02 0.811E-02 RMM: 5 -0.346102455484E+03 0.27587E-04 -0.11475E-04 3883 0.279E-02 0.735E-02 RMM: 6 -0.346102424008E+03 0.31476E-04 -0.23125E-05 2564 0.146E-02 0.420E-02 RMM: 7 -0.346102425954E+03 -0.19454E-05 -0.15472E-05 2511 0.121E-02 1805 T= 6464. E= 0.67469258E+03 F= 0.61016656E+03 E0= 0.63874310E+03 EK= 0.52638E+02 SP= 0.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345606319535E+03 0.49610E+00 -0.10539E-01 7712 0.235E+01 0.190E-01 RMM: 2 -0.345619202226E+03 -0.12883E-01 -0.85949E-02 4772 0.691E-01 0.895E-01 RMM: 3 -0.345613450663E+03 0.57516E-02 -0.99974E-03 5708 0.199E-01 0.148E-01 RMM: 4 -0.345613286811E+03 0.16385E-03 -0.66383E-04 4677 0.585E-02 0.124E-01 RMM: 5 -0.345613227050E+03 0.59761E-04 -0.10807E-04 3674 0.275E-02 0.838E-02 RMM: 6 -0.345613182504E+03 0.44546E-04 -0.32639E-05 2909 0.178E-02 0.212E-02 RMM: 7 -0.345613186368E+03 -0.38646E-05 -0.11227E-05 2479 0.107E-02 1806 T= 6455. E= 0.67469525E+03 F= 0.61065580E+03 E0= 0.63919175E+03 EK= 0.52563E+02 SP= 0.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344984425501E+03 0.62876E+00 -0.10289E-01 7648 0.235E+01 0.120E-01 RMM: 2 -0.344993937875E+03 -0.95124E-02 -0.88270E-02 5011 0.674E-01 0.485E-01 RMM: 3 -0.344992023606E+03 0.19143E-02 -0.86032E-03 6066 0.164E-01 0.984E-02 RMM: 4 -0.344991891626E+03 0.13198E-03 -0.43137E-04 4332 0.529E-02 0.105E-01 RMM: 5 -0.344991811251E+03 0.80375E-04 -0.68335E-05 3421 0.258E-02 0.455E-02 RMM: 6 -0.344991802991E+03 0.82600E-05 -0.17300E-05 2508 0.116E-02 1807 T= 6429. E= 0.67469806E+03 F= 0.61127719E+03 E0= 0.63976681E+03 EK= 0.52357E+02 SP= 0.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344257788400E+03 0.73402E+00 -0.10540E-01 7520 0.235E+01 0.139E-01 RMM: 2 -0.344269683599E+03 -0.11895E-01 -0.97215E-02 4871 0.717E-01 0.674E-01 RMM: 3 -0.344266312895E+03 0.33707E-02 -0.10974E-02 5971 0.187E-01 0.122E-01 RMM: 4 -0.344266042939E+03 0.26996E-03 -0.46328E-04 4667 0.487E-02 0.691E-02 RMM: 5 -0.344266012793E+03 0.30146E-04 -0.54562E-05 3053 0.227E-02 0.531E-02 RMM: 6 -0.344266003448E+03 0.93449E-05 -0.21795E-05 2520 0.143E-02 1808 T= 6391. E= 0.67470122E+03 F= 0.61200299E+03 E0= 0.64044260E+03 EK= 0.52048E+02 SP= 0.10E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343461312288E+03 0.80470E+00 -0.98197E-02 7712 0.234E+01 0.278E-01 RMM: 2 -0.343484609407E+03 -0.23297E-01 -0.88488E-02 4931 0.715E-01 0.153E+00 RMM: 3 -0.343468159326E+03 0.16450E-01 -0.11917E-02 5405 0.252E-01 0.240E-01 RMM: 4 -0.343467751465E+03 0.40786E-03 -0.12400E-03 4739 0.713E-02 0.850E-02 RMM: 5 -0.343467743061E+03 0.84041E-05 -0.14894E-04 3859 0.309E-02 1809 T= 6345. E= 0.67470602E+03 F= 0.61280125E+03 E0= 0.64118755E+03 EK= 0.51668E+02 SP= 0.99E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342625090518E+03 0.84266E+00 -0.10156E-01 7656 0.234E+01 0.200E-01 RMM: 2 -0.342642807885E+03 -0.17717E-01 -0.10051E-01 4915 0.733E-01 0.112E+00 RMM: 3 -0.342633702946E+03 0.91049E-02 -0.11739E-02 5505 0.230E-01 0.217E-01 RMM: 4 -0.342633340434E+03 0.36251E-03 -0.94272E-04 4910 0.620E-02 0.792E-02 RMM: 5 -0.342633311457E+03 0.28977E-04 -0.10920E-04 3794 0.281E-02 0.736E-02 RMM: 6 -0.342633280703E+03 0.30754E-04 -0.24568E-05 2563 0.146E-02 0.449E-02 RMM: 7 -0.342633286865E+03 -0.61619E-05 -0.22680E-05 2557 0.141E-02 1810 T= 6294. E= 0.67471065E+03 F= 0.61363570E+03 E0= 0.64196709E+03 EK= 0.51256E+02 SP= 0.94E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341794408444E+03 0.83887E+00 -0.95434E-02 7688 0.233E+01 0.204E-01 RMM: 2 -0.341807190195E+03 -0.12782E-01 -0.80862E-02 4805 0.676E-01 0.935E-01 RMM: 3 -0.341801005586E+03 0.61846E-02 -0.93353E-03 5629 0.199E-01 0.162E-01 RMM: 4 -0.341800846962E+03 0.15862E-03 -0.72164E-04 4657 0.596E-02 0.125E-01 RMM: 5 -0.341800786928E+03 0.60034E-04 -0.11623E-04 3731 0.281E-02 0.839E-02 RMM: 6 -0.341800741016E+03 0.45913E-04 -0.32203E-05 2932 0.178E-02 0.204E-02 RMM: 7 -0.341800742911E+03 -0.18953E-05 -0.10240E-05 2475 0.101E-02 1811 T= 6244. E= 0.67471407E+03 F= 0.61446825E+03 E0= 0.64274494E+03 EK= 0.50848E+02 SP= 0.90E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340995274001E+03 0.80547E+00 -0.96039E-02 7680 0.233E+01 0.150E-01 RMM: 2 -0.341006781730E+03 -0.11508E-01 -0.97513E-02 4900 0.733E-01 0.652E-01 RMM: 3 -0.341003859557E+03 0.29222E-02 -0.10978E-02 5995 0.188E-01 0.108E-01 RMM: 4 -0.341003650159E+03 0.20940E-03 -0.52674E-04 4591 0.543E-02 0.101E-01 RMM: 5 -0.341003572056E+03 0.78103E-04 -0.72777E-05 3470 0.253E-02 0.454E-02 RMM: 6 -0.341003564153E+03 0.79034E-05 -0.20349E-05 2523 0.128E-02 1812 T= 6199. E= 0.67471714E+03 F= 0.61526543E+03 E0= 0.64348928E+03 EK= 0.50481E+02 SP= 0.86E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340255886975E+03 0.74769E+00 -0.10537E-01 7600 0.232E+01 0.150E-01 RMM: 2 -0.340272703122E+03 -0.16816E-01 -0.12877E-01 4748 0.820E-01 0.828E-01 RMM: 3 -0.340267414017E+03 0.52891E-02 -0.13851E-02 5804 0.212E-01 0.151E-01 RMM: 4 -0.340267087759E+03 0.32626E-03 -0.71112E-04 4787 0.602E-02 0.605E-02 RMM: 5 -0.340267069990E+03 0.17768E-04 -0.77019E-05 3516 0.235E-02 1813 T= 6162. E= 0.67471971E+03 F= 0.61600192E+03 E0= 0.64417733E+03 EK= 0.50183E+02 SP= 0.81E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339596789643E+03 0.67030E+00 -0.10477E-01 7600 0.232E+01 0.152E-01 RMM: 2 -0.339608588918E+03 -0.11799E-01 -0.91703E-02 4962 0.710E-01 0.717E-01 RMM: 3 -0.339604772352E+03 0.38166E-02 -0.97172E-03 5721 0.190E-01 0.179E-01 RMM: 4 -0.339604467942E+03 0.30441E-03 -0.57409E-04 4612 0.548E-02 0.721E-02 RMM: 5 -0.339604429559E+03 0.38383E-04 -0.65127E-05 3476 0.208E-02 0.593E-02 RMM: 6 -0.339604420919E+03 0.86404E-05 -0.21632E-05 2529 0.144E-02 1814 T= 6136. E= 0.67472121E+03 F= 0.61666457E+03 E0= 0.64479700E+03 EK= 0.49967E+02 SP= 0.76E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339006163989E+03 0.59827E+00 -0.10885E-01 7848 0.232E+01 0.288E-01 RMM: 2 -0.339029216029E+03 -0.23052E-01 -0.10086E-01 4739 0.775E-01 0.147E+00 RMM: 3 -0.339014217690E+03 0.14998E-01 -0.13814E-02 5397 0.270E-01 0.272E-01 RMM: 4 -0.339013684093E+03 0.53360E-03 -0.13990E-03 4800 0.763E-02 0.796E-02 RMM: 5 -0.339013736597E+03 -0.52504E-04 -0.19913E-04 3902 0.339E-02 0.122E-01 RMM: 6 -0.339013642676E+03 0.93921E-04 -0.55181E-05 3284 0.220E-02 0.328E-02 RMM: 7 -0.339013639321E+03 0.33542E-05 -0.13778E-05 2496 0.117E-02 1815 T= 6119. E= 0.67472144E+03 F= 0.61725535E+03 E0= 0.64535320E+03 EK= 0.49834E+02 SP= 0.71E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338472317075E+03 0.54133E+00 -0.10091E-01 7688 0.232E+01 0.244E-01 RMM: 2 -0.338491884534E+03 -0.19567E-01 -0.75133E-02 4946 0.665E-01 0.139E+00 RMM: 3 -0.338478415115E+03 0.13469E-01 -0.10113E-02 5408 0.233E-01 0.233E-01 RMM: 4 -0.338478020446E+03 0.39467E-03 -0.10737E-03 4639 0.688E-02 0.992E-02 RMM: 5 -0.338477989060E+03 0.31386E-04 -0.14277E-04 3867 0.316E-02 0.863E-02 RMM: 6 -0.338477935622E+03 0.53438E-04 -0.34570E-05 2924 0.181E-02 0.317E-02 RMM: 7 -0.338477934580E+03 0.10425E-05 -0.14256E-05 2497 0.117E-02 1816 T= 6111. E= 0.67472104E+03 F= 0.61779105E+03 E0= 0.64586339E+03 EK= 0.49768E+02 SP= 0.66E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337963296540E+03 0.51464E+00 -0.99751E-02 7736 0.233E+01 0.186E-01 RMM: 2 -0.337975558685E+03 -0.12262E-01 -0.71693E-02 4882 0.647E-01 0.946E-01 RMM: 3 -0.337969336054E+03 0.62226E-02 -0.87192E-03 5536 0.198E-01 0.171E-01 RMM: 4 -0.337969094349E+03 0.24171E-03 -0.62924E-04 4749 0.527E-02 0.650E-02 RMM: 5 -0.337969080595E+03 0.13754E-04 -0.80785E-05 3593 0.251E-02 1817 T= 6108. E= 0.67472069E+03 F= 0.61829991E+03 E0= 0.64635706E+03 EK= 0.49742E+02 SP= 0.61E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337445779359E+03 0.52331E+00 -0.10207E-01 7552 0.233E+01 0.117E-01 RMM: 2 -0.337456359547E+03 -0.10580E-01 -0.92161E-02 4888 0.708E-01 0.548E-01 RMM: 3 -0.337453974075E+03 0.23855E-02 -0.98131E-03 6018 0.178E-01 0.112E-01 RMM: 4 -0.337453782983E+03 0.19109E-03 -0.45341E-04 4448 0.523E-02 0.770E-02 RMM: 5 -0.337453740376E+03 0.42607E-04 -0.48438E-05 3042 0.224E-02 0.566E-02 RMM: 6 -0.337453734843E+03 0.55334E-05 -0.20458E-05 2511 0.131E-02 1818 T= 6106. E= 0.67472014E+03 F= 0.61881525E+03 E0= 0.64686787E+03 EK= 0.49723E+02 SP= 0.56E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336891597490E+03 0.56214E+00 -0.10811E-01 7544 0.233E+01 0.200E-01 RMM: 2 -0.336908440638E+03 -0.16843E-01 -0.10721E-01 4759 0.754E-01 0.102E+00 RMM: 3 -0.336900723395E+03 0.77172E-02 -0.12711E-02 5565 0.227E-01 0.172E-01 RMM: 4 -0.336900448012E+03 0.27538E-03 -0.87411E-04 4924 0.608E-02 0.844E-02 RMM: 5 -0.336900420033E+03 0.27979E-04 -0.10431E-04 3782 0.271E-02 0.675E-02 RMM: 6 -0.336900391685E+03 0.28348E-04 -0.24220E-05 2600 0.150E-02 0.279E-02 RMM: 7 -0.336900393108E+03 -0.14234E-05 -0.10429E-05 2474 0.106E-02 1819 T= 6101. E= 0.67471953E+03 F= 0.61936860E+03 E0= 0.64742780E+03 EK= 0.49681E+02 SP= 0.51E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336278143597E+03 0.62225E+00 -0.10375E-01 7536 0.233E+01 0.247E-01 RMM: 2 -0.336296692850E+03 -0.18549E-01 -0.88010E-02 4873 0.712E-01 0.129E+00 RMM: 3 -0.336285241707E+03 0.11451E-01 -0.11131E-02 5473 0.234E-01 0.236E-01 RMM: 4 -0.336284841007E+03 0.40070E-03 -0.10818E-03 4667 0.704E-02 0.102E-01 RMM: 5 -0.336284802540E+03 0.38467E-04 -0.15284E-04 3880 0.324E-02 0.895E-02 RMM: 6 -0.336284748910E+03 0.53631E-04 -0.36156E-05 2950 0.183E-02 0.332E-02 RMM: 7 -0.336284748591E+03 0.31822E-06 -0.15983E-05 2496 0.123E-02 1820 T= 6090. E= 0.67471992E+03 F= 0.61998424E+03 E0= 0.64805964E+03 EK= 0.49590E+02 SP= 0.45E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335588800872E+03 0.69595E+00 -0.10572E-01 7520 0.232E+01 0.158E-01 RMM: 2 -0.335598387766E+03 -0.95869E-02 -0.65104E-02 4992 0.604E-01 0.767E-01 RMM: 3 -0.335594161386E+03 0.42264E-02 -0.70236E-03 5601 0.175E-01 0.131E-01 RMM: 4 -0.335594025862E+03 0.13552E-03 -0.44946E-04 4640 0.449E-02 0.742E-02 RMM: 5 -0.335593992176E+03 0.33686E-04 -0.52157E-05 3168 0.218E-02 0.561E-02 RMM: 6 -0.335593976063E+03 0.16113E-04 -0.22782E-05 2520 0.148E-02 1821 T= 6071. E= 0.67472123E+03 F= 0.62067501E+03 E0= 0.64877543E+03 EK= 0.49439E+02 SP= 0.39E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334823481865E+03 0.77051E+00 -0.10294E-01 7536 0.232E+01 0.175E-01 RMM: 2 -0.334835049461E+03 -0.11568E-01 -0.67963E-02 4971 0.617E-01 0.909E-01 RMM: 3 -0.334829134112E+03 0.59153E-02 -0.76281E-03 5436 0.191E-01 0.187E-01 RMM: 4 -0.334828891447E+03 0.24267E-03 -0.61068E-04 4732 0.518E-02 0.663E-02 RMM: 5 -0.334828856311E+03 0.35136E-04 -0.64134E-05 3425 0.223E-02 0.585E-02 RMM: 6 -0.334828841055E+03 0.15256E-04 -0.20482E-05 2521 0.138E-02 1822 T= 6045. E= 0.67472329E+03 F= 0.62144015E+03 E0= 0.64957290E+03 EK= 0.49228E+02 SP= 0.33E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333995657685E+03 0.83320E+00 -0.10256E-01 7536 0.231E+01 0.257E-01 RMM: 2 -0.334018430119E+03 -0.22772E-01 -0.77144E-02 4983 0.676E-01 0.154E+00 RMM: 3 -0.334001729421E+03 0.16701E-01 -0.10602E-02 5393 0.241E-01 0.246E-01 RMM: 4 -0.334001279797E+03 0.44962E-03 -0.11020E-03 4676 0.690E-02 0.636E-02 RMM: 5 -0.334001254477E+03 0.25320E-04 -0.11474E-04 4156 0.250E-02 0.641E-02 RMM: 6 -0.334001233553E+03 0.20923E-04 -0.19844E-05 2546 0.135E-02 0.428E-02 RMM: 7 -0.334001244571E+03 -0.11018E-04 -0.27114E-05 2598 0.159E-02 1823 T= 6013. E= 0.67472547E+03 F= 0.62226774E+03 E0= 0.65043906E+03 EK= 0.48967E+02 SP= 0.27E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333124488453E+03 0.87675E+00 -0.10378E-01 7496 0.230E+01 0.219E-01 RMM: 2 -0.333140503300E+03 -0.16015E-01 -0.86505E-02 4892 0.700E-01 0.113E+00 RMM: 3 -0.333131641877E+03 0.88614E-02 -0.10570E-02 5473 0.220E-01 0.223E-01 RMM: 4 -0.333131353890E+03 0.28799E-03 -0.10926E-03 4706 0.736E-02 0.128E-01 RMM: 5 -0.333131325616E+03 0.28274E-04 -0.17281E-04 3867 0.335E-02 0.113E-01 RMM: 6 -0.333131240084E+03 0.85531E-04 -0.46397E-05 3165 0.208E-02 0.274E-02 RMM: 7 -0.333131241896E+03 -0.18118E-05 -0.14827E-05 2496 0.119E-02 1824 T= 5978. E= 0.67472840E+03 F= 0.62313775E+03 E0= 0.65135189E+03 EK= 0.48679E+02 SP= 0.21E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332237053340E+03 0.89419E+00 -0.10726E-01 7640 0.229E+01 0.177E-01 RMM: 2 -0.332252130300E+03 -0.15077E-01 -0.10970E-01 4929 0.753E-01 0.872E-01 RMM: 3 -0.332246600132E+03 0.55302E-02 -0.12448E-02 5735 0.210E-01 0.169E-01 RMM: 4 -0.332246268955E+03 0.33118E-03 -0.67816E-04 4859 0.564E-02 0.738E-02 RMM: 5 -0.332246230381E+03 0.38574E-04 -0.89424E-05 3698 0.250E-02 0.644E-02 RMM: 6 -0.332246206363E+03 0.24018E-04 -0.23737E-05 2559 0.147E-02 0.401E-02 RMM: 7 -0.332246203575E+03 0.27882E-05 -0.20149E-05 2506 0.135E-02 1825 T= 5942. E= 0.67473160E+03 F= 0.62402279E+03 E0= 0.65228311E+03 EK= 0.48392E+02 SP= 0.14E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331370977285E+03 0.87523E+00 -0.10524E-01 7888 0.228E+01 0.144E-01 RMM: 2 -0.331382033808E+03 -0.11057E-01 -0.91463E-02 4912 0.694E-01 0.659E-01 RMM: 3 -0.331378932469E+03 0.31013E-02 -0.10171E-02 5980 0.189E-01 0.125E-01 RMM: 4 -0.331378715005E+03 0.21746E-03 -0.47182E-04 4616 0.489E-02 0.754E-02 RMM: 5 -0.331378684164E+03 0.30841E-04 -0.61431E-05 3319 0.234E-02 0.562E-02 RMM: 6 -0.331378669824E+03 0.14339E-04 -0.21005E-05 2526 0.141E-02 1826 T= 5911. E= 0.67473465E+03 F= 0.62489032E+03 E0= 0.65319773E+03 EK= 0.48137E+02 SP= 0.78E+00 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330554063407E+03 0.82462E+00 -0.10957E-01 8056 0.226E+01 0.175E-01 RMM: 2 -0.330569334540E+03 -0.15271E-01 -0.10500E-01 5054 0.720E-01 0.916E-01 RMM: 3 -0.330563037201E+03 0.62973E-02 -0.10906E-02 5675 0.201E-01 0.179E-01 RMM: 4 -0.330562713789E+03 0.32341E-03 -0.67748E-04 4716 0.571E-02 0.808E-02 RMM: 5 -0.330562676103E+03 0.37686E-04 -0.85278E-05 3696 0.241E-02 0.618E-02 RMM: 6 -0.330562658477E+03 0.17625E-04 -0.20309E-05 2539 0.136E-02 1827 T= 5888. E= 0.67473798E+03 F= 0.62570633E+03 E0= 0.65406045E+03 EK= 0.47952E+02 SP= 0.85E-01 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329825820927E+03 0.73686E+00 -0.10931E-01 8248 0.226E+01 0.234E-01 RMM: 2 -0.329844647216E+03 -0.18826E-01 -0.88966E-02 5283 0.673E-01 0.131E+00 RMM: 3 -0.329832808492E+03 0.11839E-01 -0.98297E-03 5428 0.224E-01 0.236E-01 RMM: 4 -0.329832398509E+03 0.40998E-03 -0.99307E-04 4750 0.649E-02 0.712E-02 RMM: 5 -0.329832376547E+03 0.21962E-04 -0.10520E-04 4041 0.242E-02 0.711E-02 RMM: 6 -0.329832353712E+03 0.22835E-04 -0.18473E-05 2546 0.129E-02 0.498E-02 RMM: 7 -0.329832369672E+03 -0.15961E-04 -0.32935E-05 2795 0.171E-02 1828 T= 5879. E= 0.67474100E+03 F= 0.62643662E+03 E0= 0.65483503E+03 EK= 0.47873E+02 SP= -.63E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329212701307E+03 0.61965E+00 -0.11857E-01 8256 0.225E+01 0.232E-01 RMM: 2 -0.329230113055E+03 -0.17412E-01 -0.12060E-01 5075 0.766E-01 0.101E+00 RMM: 3 -0.329222645524E+03 0.74675E-02 -0.12848E-02 5599 0.229E-01 0.232E-01 RMM: 4 -0.329222263606E+03 0.38192E-03 -0.11412E-03 4755 0.753E-02 0.132E-01 RMM: 5 -0.329222233107E+03 0.30499E-04 -0.19764E-04 3897 0.349E-02 0.117E-01 RMM: 6 -0.329222142613E+03 0.90494E-04 -0.58555E-05 3336 0.228E-02 0.282E-02 RMM: 7 -0.329222145874E+03 -0.32611E-05 -0.15004E-05 2512 0.118E-02 1829 T= 5886. E= 0.67474348E+03 F= 0.62704684E+03 E0= 0.65548654E+03 EK= 0.47934E+02 SP= -.14E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328749730444E+03 0.47241E+00 -0.11580E-01 8648 0.225E+01 0.212E-01 RMM: 2 -0.328768889692E+03 -0.19159E-01 -0.11332E-01 5234 0.731E-01 0.115E+00 RMM: 3 -0.328759034252E+03 0.98554E-02 -0.11130E-02 5617 0.218E-01 0.198E-01 RMM: 4 -0.328758703915E+03 0.33034E-03 -0.88782E-04 4812 0.625E-02 0.892E-02 RMM: 5 -0.328758656298E+03 0.47617E-04 -0.11431E-04 3815 0.261E-02 0.695E-02 RMM: 6 -0.328758627594E+03 0.28703E-04 -0.23272E-05 2582 0.147E-02 0.414E-02 RMM: 7 -0.328758626976E+03 0.61833E-06 -0.17009E-05 2514 0.123E-02 1830 T= 5914. E= 0.67474507E+03 F= 0.62751036E+03 E0= 0.65598575E+03 EK= 0.48164E+02 SP= -.21E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328446646027E+03 0.31198E+00 -0.11812E-01 8736 0.226E+01 0.169E-01 RMM: 2 -0.328461499945E+03 -0.14854E-01 -0.11498E-01 5327 0.710E-01 0.805E-01 RMM: 3 -0.328455983372E+03 0.55166E-02 -0.94458E-03 5888 0.192E-01 0.168E-01 RMM: 4 -0.328455712331E+03 0.27104E-03 -0.62103E-04 4644 0.525E-02 0.755E-02 RMM: 5 -0.328455685624E+03 0.26707E-04 -0.80243E-05 3561 0.234E-02 0.644E-02 RMM: 6 -0.328455664594E+03 0.21030E-04 -0.21303E-05 2563 0.143E-02 0.364E-02 RMM: 7 -0.328455669161E+03 -0.45666E-05 -0.14713E-05 2503 0.117E-02 1831 T= 5965. E= 0.67474512E+03 F= 0.62781332E+03 E0= 0.65632086E+03 EK= 0.48578E+02 SP= -.29E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328302390656E+03 0.15327E+00 -0.12425E-01 8776 0.227E+01 0.188E-01 RMM: 2 -0.328319019128E+03 -0.16628E-01 -0.12780E-01 5307 0.743E-01 0.866E-01 RMM: 3 -0.328312645315E+03 0.63738E-02 -0.10058E-02 5989 0.199E-01 0.169E-01 RMM: 4 -0.328312396700E+03 0.24861E-03 -0.70501E-04 4687 0.588E-02 0.115E-01 RMM: 5 -0.328312324158E+03 0.72542E-04 -0.10964E-04 3700 0.269E-02 0.745E-02 RMM: 6 -0.328312290253E+03 0.33905E-04 -0.26145E-05 2699 0.161E-02 0.324E-02 RMM: 7 -0.328312289197E+03 0.10563E-05 -0.12335E-05 2486 0.104E-02 1832 T= 6039. E= 0.67474389E+03 F= 0.62795670E+03 E0= 0.65649253E+03 EK= 0.49177E+02 SP= -.37E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328299924692E+03 0.12366E-01 -0.12939E-01 9024 0.229E+01 0.158E-01 RMM: 2 -0.328314723669E+03 -0.14799E-01 -0.12672E-01 5422 0.721E-01 0.680E-01 RMM: 3 -0.328310051005E+03 0.46727E-02 -0.93255E-03 6085 0.189E-01 0.128E-01 RMM: 4 -0.328309882459E+03 0.16855E-03 -0.55815E-04 4621 0.482E-02 0.921E-02 RMM: 5 -0.328309829385E+03 0.53075E-04 -0.71705E-05 3438 0.229E-02 0.621E-02 RMM: 6 -0.328309812317E+03 0.17068E-04 -0.22129E-05 2545 0.142E-02 1833 T= 6133. E= 0.67474123E+03 F= 0.62795918E+03 E0= 0.65652208E+03 EK= 0.49943E+02 SP= -.45E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328398036900E+03 -0.88208E-01 -0.13576E-01 8736 0.231E+01 0.205E-01 RMM: 2 -0.328417958026E+03 -0.19921E-01 -0.13859E-01 5351 0.763E-01 0.103E+00 RMM: 3 -0.328409145025E+03 0.88130E-02 -0.10941E-02 5739 0.216E-01 0.219E-01 RMM: 4 -0.328408741954E+03 0.40307E-03 -0.86439E-04 4867 0.610E-02 0.785E-02 RMM: 5 -0.328408703874E+03 0.38080E-04 -0.10041E-04 3837 0.248E-02 0.668E-02 RMM: 6 -0.328408683993E+03 0.19881E-04 -0.19811E-05 2550 0.134E-02 1834 T= 6242. E= 0.67473734E+03 F= 0.62786031E+03 E0= 0.65645033E+03 EK= 0.50834E+02 SP= -.54E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328542742599E+03 -0.13404E+00 -0.13727E-01 8784 0.234E+01 0.263E-01 RMM: 2 -0.328570423324E+03 -0.27681E-01 -0.13083E-01 5448 0.749E-01 0.153E+00 RMM: 3 -0.328552824455E+03 0.17599E-01 -0.11630E-02 5428 0.240E-01 0.265E-01 RMM: 4 -0.328552284169E+03 0.54029E-03 -0.13205E-03 4752 0.750E-02 0.781E-02 RMM: 5 -0.328552244491E+03 0.39678E-04 -0.14753E-04 4445 0.264E-02 0.713E-02 RMM: 6 -0.328552222880E+03 0.21611E-04 -0.20160E-05 2554 0.141E-02 0.519E-02 RMM: 7 -0.328552234162E+03 -0.11282E-04 -0.34871E-05 2716 0.171E-02 1835 T= 6360. E= 0.67473243E+03 F= 0.62771676E+03 E0= 0.65633504E+03 EK= 0.51794E+02 SP= -.62E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328661031664E+03 -0.10881E+00 -0.13793E-01 8560 0.238E+01 0.237E-01 RMM: 2 -0.328682494111E+03 -0.21462E-01 -0.13664E-01 5310 0.763E-01 0.117E+00 RMM: 3 -0.328671734167E+03 0.10760E-01 -0.11395E-02 5498 0.227E-01 0.251E-01 RMM: 4 -0.328671336485E+03 0.39768E-03 -0.12892E-03 4738 0.785E-02 0.129E-01 RMM: 5 -0.328671292532E+03 0.43953E-04 -0.19417E-04 3898 0.344E-02 0.110E-01 RMM: 6 -0.328671214120E+03 0.78412E-04 -0.45435E-05 3129 0.207E-02 0.325E-02 RMM: 7 -0.328671217728E+03 -0.36079E-05 -0.18132E-05 2514 0.128E-02 1836 T= 6478. E= 0.67472721E+03 F= 0.62759777E+03 E0= 0.65624512E+03 EK= 0.52749E+02 SP= -.71E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328679272284E+03 -0.80582E-02 -0.13955E-01 8672 0.241E+01 0.195E-01 RMM: 2 -0.328697522397E+03 -0.18250E-01 -0.13204E-01 5577 0.730E-01 0.966E-01 RMM: 3 -0.328689469670E+03 0.80527E-02 -0.89416E-03 5866 0.193E-01 0.178E-01 RMM: 4 -0.328689223630E+03 0.24604E-03 -0.69280E-04 4780 0.547E-02 0.102E-01 RMM: 5 -0.328689138917E+03 0.84712E-04 -0.96855E-05 3715 0.250E-02 0.648E-02 RMM: 6 -0.328689117356E+03 0.21562E-04 -0.24298E-05 2617 0.150E-02 0.457E-02 RMM: 7 -0.328689109678E+03 0.76776E-05 -0.28548E-05 2601 0.147E-02 1837 T= 6584. E= 0.67472203E+03 F= 0.62757988E+03 E0= 0.65625543E+03 EK= 0.53619E+02 SP= -.79E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328523142429E+03 0.16597E+00 -0.14262E-01 8368 0.244E+01 0.163E-01 RMM: 2 -0.328538338564E+03 -0.15196E-01 -0.13031E-01 5371 0.747E-01 0.702E-01 RMM: 3 -0.328533693488E+03 0.46451E-02 -0.10110E-02 6138 0.188E-01 0.141E-01 RMM: 4 -0.328533458518E+03 0.23497E-03 -0.53725E-04 4534 0.504E-02 0.993E-02 RMM: 5 -0.328533386100E+03 0.72418E-04 -0.76372E-05 3510 0.245E-02 0.570E-02 RMM: 6 -0.328533372915E+03 0.13185E-04 -0.22417E-05 2561 0.142E-02 1838 T= 6671. E= 0.67471745E+03 F= 0.62773562E+03 E0= 0.65643722E+03 EK= 0.54325E+02 SP= -.88E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328136826151E+03 0.39656E+00 -0.14223E-01 8400 0.247E+01 0.205E-01 RMM: 2 -0.328156185024E+03 -0.19359E-01 -0.12736E-01 5276 0.752E-01 0.107E+00 RMM: 3 -0.328147024214E+03 0.91608E-02 -0.10956E-02 5659 0.216E-01 0.204E-01 RMM: 4 -0.328146678159E+03 0.34605E-03 -0.84989E-04 4758 0.621E-02 0.921E-02 RMM: 5 -0.328146613768E+03 0.64391E-04 -0.10327E-04 3865 0.254E-02 0.665E-02 RMM: 6 -0.328146593926E+03 0.19843E-04 -0.22113E-05 2568 0.143E-02 1839 T= 6730. E= 0.67471530E+03 F= 0.62812240E+03 E0= 0.65684608E+03 EK= 0.54806E+02 SP= -.96E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327488936753E+03 0.65768E+00 -0.13748E-01 7760 0.249E+01 0.287E-01 RMM: 2 -0.327516125559E+03 -0.27189E-01 -0.12449E-01 5151 0.786E-01 0.157E+00 RMM: 3 -0.327498610358E+03 0.17515E-01 -0.14005E-02 5436 0.267E-01 0.301E-01 RMM: 4 -0.327497922661E+03 0.68770E-03 -0.14643E-03 4751 0.794E-02 0.863E-02 RMM: 5 -0.327497874586E+03 0.48075E-04 -0.16285E-04 4568 0.284E-02 0.829E-02 RMM: 6 -0.327497843930E+03 0.30656E-04 -0.24725E-05 2574 0.153E-02 0.620E-02 RMM: 7 -0.327497859557E+03 -0.15627E-04 -0.54441E-05 3206 0.206E-02 1840 T= 6757. E= 0.67471508E+03 F= 0.62877113E+03 E0= 0.65751182E+03 EK= 0.55022E+02 SP= -.10E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326586923399E+03 0.91092E+00 -0.13385E-01 7856 0.250E+01 0.258E-01 RMM: 2 -0.326606837898E+03 -0.19914E-01 -0.11601E-01 5024 0.756E-01 0.122E+00 RMM: 3 -0.326596015828E+03 0.10822E-01 -0.12265E-02 5489 0.242E-01 0.256E-01 RMM: 4 -0.326595639283E+03 0.37654E-03 -0.13871E-03 4740 0.826E-02 0.156E-01 RMM: 5 -0.326595567210E+03 0.72073E-04 -0.22410E-04 3888 0.385E-02 0.121E-01 RMM: 6 -0.326595471398E+03 0.95812E-04 -0.57535E-05 3322 0.229E-02 0.363E-02 RMM: 7 -0.326595473452E+03 -0.20538E-05 -0.18335E-05 2514 0.132E-02 1841 T= 6752. E= 0.67471903E+03 F= 0.62967352E+03 E0= 0.65842500E+03 EK= 0.54981E+02 SP= -.11E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325484586530E+03 0.11109E+01 -0.13689E-01 7712 0.250E+01 0.227E-01 RMM: 2 -0.325503961866E+03 -0.19375E-01 -0.13159E-01 4969 0.828E-01 0.109E+00 RMM: 3 -0.325495542891E+03 0.84190E-02 -0.14618E-02 5827 0.243E-01 0.189E-01 RMM: 4 -0.325495164054E+03 0.37884E-03 -0.92724E-04 4850 0.654E-02 0.116E-01 RMM: 5 -0.325495073793E+03 0.90261E-04 -0.11594E-04 3882 0.283E-02 0.784E-02 RMM: 6 -0.325495044120E+03 0.29672E-04 -0.28024E-05 2602 0.159E-02 0.585E-02 RMM: 7 -0.325495036089E+03 0.80311E-05 -0.39874E-05 2743 0.176E-02 1842 T= 6721. E= 0.67472569E+03 F= 0.63077395E+03 E0= 0.65953101E+03 EK= 0.54732E+02 SP= -.12E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324280337076E+03 0.12147E+01 -0.12719E-01 7576 0.249E+01 0.199E-01 RMM: 2 -0.324294433503E+03 -0.14096E-01 -0.10150E-01 4903 0.750E-01 0.894E-01 RMM: 3 -0.324288805418E+03 0.56281E-02 -0.11599E-02 5745 0.221E-01 0.181E-01 RMM: 4 -0.324288524722E+03 0.28070E-03 -0.75241E-04 4776 0.597E-02 0.106E-01 RMM: 5 -0.324288469273E+03 0.55450E-04 -0.10460E-04 3680 0.282E-02 0.788E-02 RMM: 6 -0.324288434974E+03 0.34299E-04 -0.29075E-05 2742 0.166E-02 0.450E-02 RMM: 7 -0.324288437478E+03 -0.25047E-05 -0.22139E-05 2554 0.148E-02 1843 T= 6676. E= 0.67473313E+03 F= 0.63198055E+03 E0= 0.66073855E+03 EK= 0.54364E+02 SP= -.13E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323075274114E+03 0.12132E+01 -0.12891E-01 7632 0.248E+01 0.197E-01 RMM: 2 -0.323090273824E+03 -0.15000E-01 -0.11896E-01 4763 0.831E-01 0.839E-01 RMM: 3 -0.323085534197E+03 0.47396E-02 -0.14661E-02 5887 0.231E-01 0.149E-01 RMM: 4 -0.323085272861E+03 0.26134E-03 -0.80147E-04 4719 0.658E-02 0.143E-01 RMM: 5 -0.323085147408E+03 0.12545E-03 -0.12878E-04 3805 0.318E-02 0.741E-02 RMM: 6 -0.323085115523E+03 0.31885E-04 -0.31796E-05 2752 0.170E-02 0.392E-02 RMM: 7 -0.323085111126E+03 0.43969E-05 -0.20931E-05 2513 0.144E-02 1844 T= 6629. E= 0.67474048E+03 F= 0.63318388E+03 E0= 0.66194102E+03 EK= 0.53987E+02 SP= -.14E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321977926083E+03 0.11072E+01 -0.12162E-01 7656 0.246E+01 0.176E-01 RMM: 2 -0.321989318889E+03 -0.11393E-01 -0.85627E-02 4849 0.728E-01 0.786E-01 RMM: 3 -0.321985224368E+03 0.40945E-02 -0.10371E-02 5773 0.203E-01 0.157E-01 RMM: 4 -0.321984983563E+03 0.24081E-03 -0.56211E-04 4779 0.542E-02 0.927E-02 RMM: 5 -0.321984936320E+03 0.47243E-04 -0.87109E-05 3591 0.266E-02 0.696E-02 RMM: 6 -0.321984910548E+03 0.25772E-04 -0.27014E-05 2626 0.158E-02 0.418E-02 RMM: 7 -0.321984910961E+03 -0.41319E-06 -0.30879E-05 2554 0.171E-02 1845 T= 6594. E= 0.67474565E+03 F= 0.63428408E+03 E0= 0.66304076E+03 EK= 0.53700E+02 SP= -.15E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321048283272E+03 0.93663E+00 -0.12285E-01 7664 0.245E+01 0.178E-01 RMM: 2 -0.321060299248E+03 -0.12016E-01 -0.95837E-02 4755 0.769E-01 0.756E-01 RMM: 3 -0.321056508838E+03 0.37904E-02 -0.11936E-02 5858 0.208E-01 0.148E-01 RMM: 4 -0.321056280005E+03 0.22883E-03 -0.62753E-04 4674 0.601E-02 0.115E-01 RMM: 5 -0.321056198353E+03 0.81651E-04 -0.10147E-04 3612 0.280E-02 0.675E-02 RMM: 6 -0.321056172840E+03 0.25514E-04 -0.27630E-05 2611 0.161E-02 0.296E-02 RMM: 7 -0.321056174066E+03 -0.12266E-05 -0.15576E-05 2482 0.127E-02 1846 T= 6579. E= 0.67474840E+03 F= 0.63521282E+03 E0= 0.66397136E+03 EK= 0.53576E+02 SP= -.15E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320322344048E+03 0.73383E+00 -0.11548E-01 7680 0.245E+01 0.169E-01 RMM: 2 -0.320333107780E+03 -0.10764E-01 -0.89234E-02 4968 0.725E-01 0.701E-01 RMM: 3 -0.320329863116E+03 0.32447E-02 -0.10126E-02 5900 0.192E-01 0.139E-01 RMM: 4 -0.320329647012E+03 0.21610E-03 -0.49964E-04 4704 0.521E-02 0.109E-01 RMM: 5 -0.320329566079E+03 0.80932E-04 -0.79917E-05 3537 0.255E-02 0.652E-02 RMM: 6 -0.320329545970E+03 0.20109E-04 -0.24687E-05 2561 0.151E-02 0.428E-02 RMM: 7 -0.320329537988E+03 0.79824E-05 -0.31989E-05 2590 0.169E-02 1847 T= 6588. E= 0.67474938E+03 F= 0.63593945E+03 E0= 0.66470361E+03 EK= 0.53649E+02 SP= -.16E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319798931960E+03 0.53061E+00 -0.12144E-01 7824 0.245E+01 0.182E-01 RMM: 2 -0.319811439471E+03 -0.12508E-01 -0.10199E-01 5020 0.758E-01 0.751E-01 RMM: 3 -0.319807507507E+03 0.39320E-02 -0.11421E-02 5946 0.201E-01 0.165E-01 RMM: 4 -0.319807207736E+03 0.29977E-03 -0.60099E-04 4744 0.575E-02 0.109E-01 RMM: 5 -0.319807130288E+03 0.77448E-04 -0.92058E-05 3636 0.254E-02 0.731E-02 RMM: 6 -0.319807105955E+03 0.24333E-04 -0.24622E-05 2569 0.154E-02 0.448E-02 RMM: 7 -0.319807104205E+03 0.17497E-05 -0.23123E-05 2559 0.144E-02 1848 T= 6622. E= 0.67474911E+03 F= 0.63646189E+03 E0= 0.66523574E+03 EK= 0.53924E+02 SP= -.17E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319464698740E+03 0.34241E+00 -0.12941E-01 7872 0.245E+01 0.193E-01 RMM: 2 -0.319480219405E+03 -0.15521E-01 -0.12829E-01 5058 0.815E-01 0.805E-01 RMM: 3 -0.319475456395E+03 0.47630E-02 -0.13446E-02 5968 0.216E-01 0.172E-01 RMM: 4 -0.319475101083E+03 0.35531E-03 -0.69352E-04 4888 0.595E-02 0.110E-01 RMM: 5 -0.319475012432E+03 0.88652E-04 -0.98375E-05 3729 0.254E-02 0.702E-02 RMM: 6 -0.319474994016E+03 0.18416E-04 -0.25350E-05 2578 0.153E-02 1849 T= 6679. E= 0.67474843E+03 F= 0.63679400E+03 E0= 0.66558078E+03 EK= 0.54389E+02 SP= -.18E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319301033653E+03 0.17398E+00 -0.13346E-01 8056 0.245E+01 0.225E-01 RMM: 2 -0.319321777576E+03 -0.20744E-01 -0.12916E-01 5240 0.798E-01 0.120E+00 RMM: 3 -0.319311703766E+03 0.10074E-01 -0.12972E-02 5673 0.233E-01 0.226E-01 RMM: 4 -0.319311274656E+03 0.42911E-03 -0.97440E-04 4997 0.636E-02 0.974E-02 RMM: 5 -0.319311215565E+03 0.59091E-04 -0.10762E-04 3875 0.261E-02 0.827E-02 RMM: 6 -0.319311195224E+03 0.20341E-04 -0.24215E-05 2588 0.146E-02 0.759E-02 RMM: 7 -0.319311199084E+03 -0.38597E-05 -0.60964E-05 3352 0.213E-02 1850 T= 6757. E= 0.67474709E+03 F= 0.63695779E+03 E0= 0.66576013E+03 EK= 0.55024E+02 SP= -.18E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319275048922E+03 0.36146E-01 -0.13900E-01 7960 0.246E+01 0.306E-01 RMM: 2 -0.319303828816E+03 -0.28780E-01 -0.16179E-01 5055 0.902E-01 0.150E+00 RMM: 3 -0.319288269828E+03 0.15559E-01 -0.18360E-02 5551 0.288E-01 0.333E-01 RMM: 4 -0.319287442484E+03 0.82734E-03 -0.18189E-03 4991 0.924E-02 0.121E-01 RMM: 5 -0.319287479922E+03 -0.37439E-04 -0.28964E-04 3920 0.391E-02 0.152E-01 RMM: 6 -0.319287329050E+03 0.15087E-03 -0.83029E-05 3551 0.260E-02 0.400E-02 RMM: 7 -0.319287326896E+03 0.21543E-05 -0.19111E-05 2546 0.130E-02 1851 T= 6852. E= 0.67474537E+03 F= 0.63698166E+03 E0= 0.66580129E+03 EK= 0.55797E+02 SP= -.19E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319354798039E+03 -0.67469E-01 -0.14720E-01 8288 0.247E+01 0.258E-01 RMM: 2 -0.319381526706E+03 -0.26729E-01 -0.16036E-01 5326 0.860E-01 0.137E+00 RMM: 3 -0.319367849739E+03 0.13677E-01 -0.15641E-02 5638 0.261E-01 0.251E-01 RMM: 4 -0.319367354695E+03 0.49504E-03 -0.12961E-03 4930 0.728E-02 0.111E-01 RMM: 5 -0.319367282781E+03 0.71914E-04 -0.16204E-04 3892 0.313E-02 0.943E-02 RMM: 6 -0.319367233638E+03 0.49143E-04 -0.38745E-05 2977 0.183E-02 0.649E-02 RMM: 7 -0.319367234441E+03 -0.80286E-06 -0.34794E-05 2709 0.170E-02 1852 T= 6959. E= 0.67474270E+03 F= 0.63690175E+03 E0= 0.66573827E+03 EK= 0.56671E+02 SP= -.20E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319489575687E+03 -0.12234E+00 -0.16451E-01 8456 0.248E+01 0.265E-01 RMM: 2 -0.319515489790E+03 -0.25914E-01 -0.18896E-01 5139 0.937E-01 0.116E+00 RMM: 3 -0.319505168296E+03 0.10321E-01 -0.19447E-02 5638 0.291E-01 0.216E-01 RMM: 4 -0.319504800611E+03 0.36768E-03 -0.15043E-03 5137 0.763E-02 0.108E-01 RMM: 5 -0.319504758127E+03 0.42484E-04 -0.17226E-04 3999 0.308E-02 0.102E-01 RMM: 6 -0.319504695704E+03 0.62424E-04 -0.36905E-05 2934 0.179E-02 0.488E-02 RMM: 7 -0.319504697067E+03 -0.13629E-05 -0.24424E-05 2583 0.156E-02 1853 T= 7073. E= 0.67473915E+03 F= 0.63676429E+03 E0= 0.66561642E+03 EK= 0.57596E+02 SP= -.21E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319629578088E+03 -0.12488E+00 -0.17462E-01 8872 0.249E+01 0.223E-01 RMM: 2 -0.319656865235E+03 -0.27287E-01 -0.21387E-01 5376 0.929E-01 0.105E+00 RMM: 3 -0.319647137847E+03 0.97274E-02 -0.16351E-02 5775 0.252E-01 0.238E-01 RMM: 4 -0.319646649365E+03 0.48848E-03 -0.12427E-03 4816 0.758E-02 0.133E-01 RMM: 5 -0.319646554935E+03 0.94430E-04 -0.18422E-04 3899 0.336E-02 0.985E-02 RMM: 6 -0.319646497412E+03 0.57523E-04 -0.46396E-05 3148 0.201E-02 0.538E-02 RMM: 7 -0.319646497043E+03 0.36910E-06 -0.34854E-05 2696 0.166E-02 1854 T= 7185. E= 0.67473539E+03 F= 0.63662249E+03 E0= 0.66548776E+03 EK= 0.58513E+02 SP= -.21E+02 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319720678192E+03 -0.74181E-01 -0.20220E-01 8800 0.250E+01 0.235E-01 RMM: 2 -0.319748942248E+03 -0.28264E-01 -0.23552E-01 5487 0.985E-01 0.975E-01 RMM: 3 -0.319740200501E+03 0.87417E-02 -0.17868E-02 5992 0.264E-01 0.236E-01 RMM: 4 -0.319739745316E+03 0.45519E-03 -0.12289E-03 4872 0.741E-02 0.121E-01 RMM: 5 -0.319739673970E+03 0.71345E-04 -0.17837E-04 3922 0.310E-02 0.100E-01 RMM: 6 -0.319739619217E+03 0.54753E-04 -0.43195E-05 3081 0.197E-02 0.524E-02 RMM: 7 -0.319739630374E+03 -0.11157E-04 -0.30728E-05 2695 0.161E-02 1855 T= 7290. E= 0.67473200E+03 F= 0.63652936E+03 E0= 0.66540281E+03 EK= 0.59365E+02 SP= -.22E+02 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319716893404E+03 0.22726E-01 -0.22986E-01 8832 0.251E+01 0.242E-01 RMM: 2 -0.319750711761E+03 -0.33818E-01 -0.26988E-01 5669 0.103E+00 0.112E+00 RMM: 3 -0.319739329468E+03 0.11382E-01 -0.17321E-02 5701 0.268E-01 0.236E-01 RMM: 4 -0.319738872549E+03 0.45692E-03 -0.13881E-03 4881 0.793E-02 0.141E-01 RMM: 5 -0.319738768528E+03 0.10402E-03 -0.19858E-04 3914 0.350E-02 0.101E-01 RMM: 6 -0.319738711085E+03 0.57443E-04 -0.49863E-05 3191 0.206E-02 0.564E-02 RMM: 7 -0.319738720636E+03 -0.95516E-05 -0.33101E-05 2728 0.167E-02 1856 T= 7380. E= 0.67472975E+03 F= 0.63653027E+03 E0= 0.66540436E+03 EK= 0.60100E+02 SP= -.23E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319589415064E+03 0.14930E+00 -0.26895E-01 8848 0.252E+01 0.273E-01 RMM: 2 -0.319625400517E+03 -0.35985E-01 -0.29052E-01 5730 0.107E+00 0.115E+00 RMM: 3 -0.319613366008E+03 0.12035E-01 -0.18530E-02 5655 0.285E-01 0.232E-01 RMM: 4 -0.319612996298E+03 0.36971E-03 -0.14977E-03 5033 0.793E-02 0.146E-01 RMM: 5 -0.319612902117E+03 0.94182E-04 -0.19964E-04 4006 0.332E-02 0.122E-01 RMM: 6 -0.319612812338E+03 0.89778E-04 -0.65128E-05 3377 0.233E-02 0.522E-02 RMM: 7 -0.319612826974E+03 -0.14636E-04 -0.42073E-05 3016 0.186E-02 1857 T= 7451. E= 0.67472837E+03 F= 0.63665616E+03 E0= 0.66552035E+03 EK= 0.60680E+02 SP= -.23E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319324934287E+03 0.28788E+00 -0.30898E-01 8920 0.253E+01 0.281E-01 RMM: 2 -0.319365204887E+03 -0.40271E-01 -0.30455E-01 5957 0.109E+00 0.132E+00 RMM: 3 -0.319350586424E+03 0.14618E-01 -0.17103E-02 5584 0.283E-01 0.279E-01 RMM: 4 -0.319350042159E+03 0.54427E-03 -0.16386E-03 5023 0.860E-02 0.146E-01 RMM: 5 -0.319349959759E+03 0.82400E-04 -0.24042E-04 3903 0.374E-02 0.123E-01 RMM: 6 -0.319349865639E+03 0.94120E-04 -0.71377E-05 3456 0.242E-02 0.554E-02 RMM: 7 -0.319349878748E+03 -0.13109E-04 -0.35614E-05 2862 0.171E-02 1858 T= 7502. E= 0.67472812E+03 F= 0.63691911E+03 E0= 0.66576110E+03 EK= 0.61089E+02 SP= -.24E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318930650932E+03 0.41921E+00 -0.34819E-01 8888 0.253E+01 0.278E-01 RMM: 2 -0.318971116443E+03 -0.40466E-01 -0.32535E-01 5994 0.113E+00 0.121E+00 RMM: 3 -0.318958435303E+03 0.12681E-01 -0.18458E-02 5573 0.291E-01 0.268E-01 RMM: 4 -0.318957959702E+03 0.47560E-03 -0.15736E-03 5091 0.814E-02 0.137E-01 RMM: 5 -0.318957871688E+03 0.88014E-04 -0.21795E-04 4026 0.342E-02 0.120E-01 RMM: 6 -0.318957787081E+03 0.84607E-04 -0.70215E-05 3434 0.240E-02 0.531E-02 RMM: 7 -0.318957810799E+03 -0.23718E-04 -0.52060E-05 3191 0.201E-02 0.858E-02 RMM: 8 -0.318957774501E+03 0.36298E-04 -0.58138E-05 3272 0.197E-02 0.493E-02 RMM: 9 -0.318957761102E+03 0.13399E-04 -0.18825E-05 2514 0.124E-02 1859 T= 7531. E= 0.67472858E+03 F= 0.63731123E+03 E0= 0.66611861E+03 EK= 0.61328E+02 SP= -.24E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318431448730E+03 0.52633E+00 -0.38179E-01 8856 0.253E+01 0.250E-01 RMM: 2 -0.318470186011E+03 -0.38737E-01 -0.32572E-01 6224 0.113E+00 0.107E+00 RMM: 3 -0.318459875404E+03 0.10311E-01 -0.16662E-02 5603 0.273E-01 0.192E-01 RMM: 4 -0.318459744832E+03 0.13057E-03 -0.13871E-03 4977 0.809E-02 0.212E-01 RMM: 5 -0.318459483302E+03 0.26153E-03 -0.23337E-04 3908 0.386E-02 0.108E-01 RMM: 6 -0.318459409557E+03 0.73745E-04 -0.73124E-05 3464 0.245E-02 0.481E-02 RMM: 7 -0.318459422267E+03 -0.12710E-04 -0.36228E-05 2869 0.172E-02 1860 T= 7542. E= 0.67472967E+03 F= 0.63780957E+03 E0= 0.66657149E+03 EK= 0.61418E+02 SP= -.25E+02 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317860980241E+03 0.59843E+00 -0.39524E-01 8880 0.254E+01 0.229E-01 RMM: 2 -0.317897493943E+03 -0.36514E-01 -0.32840E-01 5947 0.116E+00 0.884E-01 RMM: 3 -0.317889787994E+03 0.77059E-02 -0.19108E-02 5942 0.273E-01 0.187E-01 RMM: 4 -0.317889406275E+03 0.38172E-03 -0.10762E-03 5019 0.695E-02 0.131E-01 RMM: 5 -0.317889303587E+03 0.10269E-03 -0.15215E-04 4185 0.304E-02 0.889E-02 RMM: 6 -0.317889273792E+03 0.29795E-04 -0.41866E-05 3013 0.191E-02 0.646E-02 RMM: 7 -0.317889310024E+03 -0.36232E-04 -0.85811E-05 3779 0.236E-02 0.103E-01 RMM: 8 -0.317889245732E+03 0.64292E-04 -0.48359E-05 3148 0.191E-02 0.350E-02 RMM: 9 -0.317889242335E+03 0.33966E-05 -0.16198E-05 2497 0.116E-02 1861 T= 7539. E= 0.67473147E+03 F= 0.63837975E+03 E0= 0.66709025E+03 EK= 0.61391E+02 SP= -.25E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317263110328E+03 0.62614E+00 -0.38749E-01 8840 0.255E+01 0.231E-01 RMM: 2 -0.317298564180E+03 -0.35454E-01 -0.32556E-01 5749 0.116E+00 0.831E-01 RMM: 3 -0.317291465401E+03 0.70988E-02 -0.19993E-02 6199 0.271E-01 0.195E-01 RMM: 4 -0.317291075916E+03 0.38948E-03 -0.11755E-03 4939 0.789E-02 0.172E-01 RMM: 5 -0.317290893171E+03 0.18274E-03 -0.20663E-04 3955 0.347E-02 0.104E-01 RMM: 6 -0.317290833475E+03 0.59696E-04 -0.51011E-05 3186 0.210E-02 0.519E-02 RMM: 7 -0.317290841466E+03 -0.79907E-05 -0.36405E-05 2796 0.176E-02 1862 T= 7526. E= 0.67473378E+03 F= 0.63897815E+03 E0= 0.66763460E+03 EK= 0.61289E+02 SP= -.26E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316688292983E+03 0.60254E+00 -0.35539E-01 8904 0.256E+01 0.232E-01 RMM: 2 -0.316723990029E+03 -0.35697E-01 -0.31058E-01 5594 0.117E+00 0.968E-01 RMM: 3 -0.316715593747E+03 0.83963E-02 -0.21491E-02 6061 0.283E-01 0.220E-01 RMM: 4 -0.316715012824E+03 0.58092E-03 -0.11544E-03 4969 0.739E-02 0.118E-01 RMM: 5 -0.316714938041E+03 0.74783E-04 -0.15881E-04 4462 0.301E-02 0.924E-02 RMM: 6 -0.316714910819E+03 0.27221E-04 -0.36204E-05 2869 0.180E-02 0.745E-02 RMM: 7 -0.316714949158E+03 -0.38339E-04 -0.10870E-04 3884 0.268E-02 0.111E-01 RMM: 8 -0.316714869662E+03 0.79496E-04 -0.72985E-05 3569 0.225E-02 0.324E-02 RMM: 9 -0.316714869124E+03 0.53843E-06 -0.15643E-05 2514 0.115E-02 1863 T= 7511. E= 0.67473624E+03 F= 0.63955412E+03 E0= 0.66815845E+03 EK= 0.61164E+02 SP= -.26E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316184123063E+03 0.53075E+00 -0.30950E-01 8936 0.257E+01 0.274E-01 RMM: 2 -0.316220671498E+03 -0.36548E-01 -0.30776E-01 5288 0.119E+00 0.109E+00 RMM: 3 -0.316210699139E+03 0.99724E-02 -0.25403E-02 6009 0.302E-01 0.254E-01 RMM: 4 -0.316210004827E+03 0.69431E-03 -0.15558E-03 5050 0.880E-02 0.165E-01 RMM: 5 -0.316209867538E+03 0.13729E-03 -0.24238E-04 3924 0.366E-02 0.116E-01 RMM: 6 -0.316209788740E+03 0.78797E-04 -0.69443E-05 3431 0.241E-02 0.513E-02 RMM: 7 -0.316209800059E+03 -0.11319E-04 -0.33358E-05 2745 0.163E-02 1864 T= 7498. E= 0.67473786E+03 F= 0.64005919E+03 E0= 0.66861730E+03 EK= 0.61063E+02 SP= -.27E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315787038520E+03 0.42275E+00 -0.24003E-01 8920 0.259E+01 0.244E-01 RMM: 2 -0.315818608428E+03 -0.31570E-01 -0.25229E-01 5256 0.108E+00 0.109E+00 RMM: 3 -0.315808811667E+03 0.97968E-02 -0.21571E-02 5964 0.285E-01 0.248E-01 RMM: 4 -0.315808131876E+03 0.67979E-03 -0.12377E-03 4977 0.759E-02 0.115E-01 RMM: 5 -0.315808065950E+03 0.65927E-04 -0.16351E-04 4474 0.298E-02 0.934E-02 RMM: 6 -0.315808036986E+03 0.28963E-04 -0.33456E-05 2784 0.173E-02 0.760E-02 RMM: 7 -0.315808069621E+03 -0.32635E-04 -0.10290E-04 3876 0.256E-02 0.112E-01 RMM: 8 -0.315807987861E+03 0.81760E-04 -0.90290E-05 3829 0.245E-02 0.341E-02 RMM: 9 -0.315807988762E+03 -0.90051E-06 -0.17336E-05 2542 0.121E-02 1865 T= 7493. E= 0.67473722E+03 F= 0.64046100E+03 E0= 0.66898118E+03 EK= 0.61019E+02 SP= -.27E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315488106251E+03 0.31988E+00 -0.20585E-01 8352 0.261E+01 0.276E-01 RMM: 2 -0.315519061510E+03 -0.30955E-01 -0.25443E-01 4998 0.113E+00 0.109E+00 RMM: 3 -0.315509936362E+03 0.91251E-02 -0.24808E-02 6041 0.300E-01 0.248E-01 RMM: 4 -0.315509268353E+03 0.66801E-03 -0.15022E-03 5124 0.888E-02 0.175E-01 RMM: 5 -0.315509117825E+03 0.15053E-03 -0.24672E-04 3909 0.375E-02 0.122E-01 RMM: 6 -0.315509023278E+03 0.94547E-04 -0.73295E-05 3474 0.249E-02 0.437E-02 RMM: 7 -0.315509027475E+03 -0.41976E-05 -0.33085E-05 2682 0.160E-02 1866 T= 7495. E= 0.67473459E+03 F= 0.64075996E+03 E0= 0.66925290E+03 EK= 0.61031E+02 SP= -.27E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315260214259E+03 0.24881E+00 -0.16831E-01 8040 0.262E+01 0.236E-01 RMM: 2 -0.315286525381E+03 -0.26311E-01 -0.20159E-01 5000 0.101E+00 0.108E+00 RMM: 3 -0.315277779923E+03 0.87455E-02 -0.20596E-02 6018 0.273E-01 0.245E-01 RMM: 4 -0.315277083654E+03 0.69627E-03 -0.11017E-03 4865 0.745E-02 0.108E-01 RMM: 5 -0.315277025715E+03 0.57939E-04 -0.15152E-04 4270 0.294E-02 0.913E-02 RMM: 6 -0.315276993266E+03 0.32449E-04 -0.33179E-05 2760 0.176E-02 0.696E-02 RMM: 7 -0.315277016352E+03 -0.23087E-04 -0.83430E-05 3764 0.239E-02 0.101E-01 RMM: 8 -0.315276945906E+03 0.70447E-04 -0.84601E-05 3857 0.226E-02 0.356E-02 RMM: 9 -0.315276944330E+03 0.15754E-05 -0.19954E-05 2566 0.130E-02 1867 T= 7499. E= 0.67473119E+03 F= 0.64099204E+03 E0= 0.66946853E+03 EK= 0.61066E+02 SP= -.27E+02 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315047196827E+03 0.22975E+00 -0.15784E-01 7936 0.263E+01 0.254E-01 RMM: 2 -0.315070879123E+03 -0.23682E-01 -0.18507E-01 4970 0.986E-01 0.106E+00 RMM: 3 -0.315062892088E+03 0.79870E-02 -0.19553E-02 5985 0.261E-01 0.194E-01 RMM: 4 -0.315062503326E+03 0.38876E-03 -0.11769E-03 4884 0.808E-02 0.199E-01 RMM: 5 -0.315062277260E+03 0.22607E-03 -0.22322E-04 3917 0.392E-02 0.998E-02 RMM: 6 -0.315062213908E+03 0.63352E-04 -0.59323E-05 3320 0.230E-02 0.414E-02 RMM: 7 -0.315062217459E+03 -0.35515E-05 -0.25459E-05 2564 0.148E-02 1868 T= 7500. E= 0.67472888E+03 F= 0.64120677E+03 E0= 0.66967759E+03 EK= 0.61075E+02 SP= -.28E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314811399569E+03 0.25081E+00 -0.15099E-01 7856 0.263E+01 0.203E-01 RMM: 2 -0.314832299897E+03 -0.20900E-01 -0.17663E-01 5068 0.947E-01 0.835E-01 RMM: 3 -0.314826828681E+03 0.54712E-02 -0.17859E-02 6107 0.247E-01 0.203E-01 RMM: 4 -0.314826295547E+03 0.53313E-03 -0.82047E-04 4778 0.667E-02 0.116E-01 RMM: 5 -0.314826223053E+03 0.72495E-04 -0.11564E-04 3840 0.290E-02 0.828E-02 RMM: 6 -0.314826204330E+03 0.18723E-04 -0.29516E-05 2612 0.163E-02 1869 T= 7493. E= 0.67472803E+03 F= 0.64144278E+03 E0= 0.66991801E+03 EK= 0.61021E+02 SP= -.28E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314529454366E+03 0.29677E+00 -0.17161E-01 8256 0.262E+01 0.330E-01 RMM: 2 -0.314571303882E+03 -0.41850E-01 -0.20699E-01 5032 0.102E+00 0.184E+00 RMM: 3 -0.314546745759E+03 0.24558E-01 -0.23342E-02 5474 0.330E-01 0.310E-01 RMM: 4 -0.314546002854E+03 0.74290E-03 -0.20921E-03 5146 0.899E-02 0.130E-01 RMM: 5 -0.314545915921E+03 0.86933E-04 -0.21752E-04 4160 0.351E-02 0.978E-02 RMM: 6 -0.314545877046E+03 0.38875E-04 -0.37549E-05 2907 0.179E-02 0.801E-02 RMM: 7 -0.314545918759E+03 -0.41713E-04 -0.10077E-04 3865 0.263E-02 0.118E-01 RMM: 8 -0.314545831132E+03 0.87627E-04 -0.12406E-04 3884 0.252E-02 0.475E-02 RMM: 9 -0.314545820950E+03 0.10182E-04 -0.23889E-05 2619 0.143E-02 1870 T= 7476. E= 0.67472776E+03 F= 0.64172317E+03 E0= 0.67021202E+03 EK= 0.60878E+02 SP= -.28E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314186532784E+03 0.35930E+00 -0.20379E-01 8776 0.261E+01 0.365E-01 RMM: 2 -0.314226139428E+03 -0.39607E-01 -0.22036E-01 4933 0.105E+00 0.172E+00 RMM: 3 -0.314204665559E+03 0.21474E-01 -0.24902E-02 5430 0.351E-01 0.366E-01 RMM: 4 -0.314203810104E+03 0.85545E-03 -0.28215E-03 5310 0.113E-01 0.187E-01 RMM: 5 -0.314203696652E+03 0.11345E-03 -0.37669E-04 3942 0.447E-02 0.160E-01 RMM: 6 -0.314203535650E+03 0.16100E-03 -0.11213E-04 3803 0.292E-02 0.596E-02 RMM: 7 -0.314203544139E+03 -0.84887E-05 -0.44562E-05 3116 0.182E-02 1871 T= 7445. E= 0.67472643E+03 F= 0.64206545E+03 E0= 0.67057460E+03 EK= 0.60630E+02 SP= -.28E+02 SK= 0.84E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.313751882886E+03 0.45165E+00 -0.25341E-01 8936 0.259E+01 0.258E-01 RMM: 2 -0.313786472958E+03 -0.34590E-01 -0.23019E-01 5347 0.101E+00 0.140E+00 RMM: 3 -0.313771260097E+03 0.15213E-01 -0.19341E-02 5516 0.293E-01 0.233E-01 RMM: 4 -0.313770844296E+03 0.41580E-03 -0.15278E-03 5157 0.767E-02 0.132E-01 RMM: 5 -0.313770763973E+03 0.80323E-04 -0.15545E-04 4096 0.325E-02 0.103E-01 RMM: 6 -0.313770733748E+03 0.30225E-04 -0.33495E-05 2743 0.171E-02 0.895E-02 RMM: 7 -0.313770782344E+03 -0.48596E-04 -0.14666E-04 3890 0.307E-02 0.129E-01 RMM: 8 -0.313770679257E+03 0.10309E-03 -0.13189E-04 3885 0.275E-02 0.417E-02 RMM: 9 -0.313770676075E+03 0.31821E-05 -0.22397E-05 2614 0.136E-02 1872 T= 7398. E= 0.67472446E+03 F= 0.64249831E+03 E0= 0.67103279E+03 EK= 0.60248E+02 SP= -.28E+02 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.313187079974E+03 0.58360E+00 -0.33717E-01 9024 0.258E+01 0.251E-01 RMM: 2 -0.313219872093E+03 -0.32792E-01 -0.27676E-01 5300 0.111E+00 0.102E+00 RMM: 3 -0.313210959070E+03 0.89130E-02 -0.21856E-02 5747 0.291E-01 0.216E-01 RMM: 4 -0.313210629450E+03 0.32962E-03 -0.15282E-03 5087 0.869E-02 0.205E-01 RMM: 5 -0.313210367736E+03 0.26171E-03 -0.24955E-04 3908 0.384E-02 0.102E-01 RMM: 6 -0.313210322370E+03 0.45365E-04 -0.65740E-05 3411 0.227E-02 0.727E-02 RMM: 7 -0.313210339832E+03 -0.17461E-04 -0.56096E-05 3264 0.206E-02 1873 T= 7331. E= 0.67472195E+03 F= 0.64305865E+03 E0= 0.67161974E+03 EK= 0.59699E+02 SP= -.28E+02 SK= 0.30E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.312463191803E+03 0.74713E+00 -0.41272E-01 8992 0.257E+01 0.288E-01 RMM: 2 -0.312500826740E+03 -0.37635E-01 -0.27954E-01 5789 0.110E+00 0.130E+00 RMM: 3 -0.312487808733E+03 0.13018E-01 -0.18536E-02 5546 0.286E-01 0.293E-01 RMM: 4 -0.312487221501E+03 0.58723E-03 -0.15272E-03 4983 0.806E-02 0.144E-01 RMM: 5 -0.312487152663E+03 0.68838E-04 -0.19773E-04 4428 0.318E-02 0.118E-01 RMM: 6 -0.312487133191E+03 0.19472E-04 -0.50348E-05 3156 0.204E-02 1874 T= 7239. E= 0.67471945E+03 F= 0.64378186E+03 E0= 0.67236824E+03 EK= 0.58951E+02 SP= -.28E+02 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.311553060743E+03 0.93409E+00 -0.49928E-01 8936 0.257E+01 0.472E-01 RMM: 2 -0.311619641008E+03 -0.66580E-01 -0.30662E-01 5750 0.115E+00 0.241E+00 RMM: 3 -0.311579420745E+03 0.40220E-01 -0.28719E-02 5362 0.403E-01 0.484E-01 RMM: 4 -0.311577859822E+03 0.15609E-02 -0.35112E-03 5410 0.117E-01 0.185E-01 RMM: 5 -0.311577798010E+03 0.61812E-04 -0.40347E-04 3981 0.422E-02 0.164E-01 RMM: 6 -0.311577710178E+03 0.87832E-04 -0.12831E-04 3872 0.305E-02 0.114E-01 RMM: 7 -0.311577866030E+03 -0.15585E-03 -0.16400E-04 3895 0.338E-02 0.170E-01 RMM: 8 -0.311577777991E+03 0.88038E-04 -0.21613E-04 3901 0.330E-02 0.982E-02 RMM: 9 -0.311577718939E+03 0.59052E-04 -0.48244E-05 3209 0.194E-02 0.275E-02 RMM: 10 -0.311577731286E+03 -0.12347E-04 -0.17079E-05 2529 0.129E-02 1875 T= 7121. E= 0.67471801E+03 F= 0.64469126E+03 E0= 0.67329876E+03 EK= 0.57987E+02 SP= -.28E+02 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.310463234381E+03 0.11145E+01 -0.60419E-01 8928 0.257E+01 0.532E-01 RMM: 2 -0.310536298795E+03 -0.73064E-01 -0.35274E-01 5404 0.126E+00 0.249E+00 RMM: 3 -0.310492941315E+03 0.43357E-01 -0.35610E-02 5387 0.435E-01 0.570E-01 RMM: 4 -0.310490790693E+03 0.21506E-02 -0.47691E-03 5360 0.146E-01 0.213E-01 RMM: 5 -0.310490970630E+03 -0.17994E-03 -0.77366E-04 4594 0.625E-02 0.257E-01 RMM: 6 -0.310490603698E+03 0.36693E-03 -0.27298E-04 3886 0.419E-02 0.966E-02 RMM: 7 -0.310490737771E+03 -0.13407E-03 -0.15683E-04 3876 0.319E-02 0.154E-01 RMM: 8 -0.310490689516E+03 0.48256E-04 -0.14101E-04 3880 0.318E-02 0.949E-02 RMM: 9 -0.310490635517E+03 0.53998E-04 -0.40480E-05 3103 0.184E-02 0.264E-02 RMM: 10 -0.310490643862E+03 -0.83442E-05 -0.13990E-05 2504 0.115E-02 1876 T= 6978. E= 0.67472317E+03 F= 0.64577835E+03 E0= 0.67440039E+03 EK= 0.56828E+02 SP= -.28E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.309304104063E+03 0.11865E+01 -0.71581E-01 8896 0.256E+01 0.328E-01 RMM: 2 -0.309350345015E+03 -0.46241E-01 -0.34589E-01 5528 0.127E+00 0.144E+00 RMM: 3 -0.309334328722E+03 0.16016E-01 -0.27237E-02 5747 0.327E-01 0.284E-01 RMM: 4 -0.309333606665E+03 0.72206E-03 -0.21235E-03 5038 0.988E-02 0.191E-01 RMM: 5 -0.309333443887E+03 0.16278E-03 -0.34077E-04 3935 0.421E-02 0.132E-01 RMM: 6 -0.309333374407E+03 0.69480E-04 -0.11206E-04 3838 0.287E-02 0.873E-02 RMM: 7 -0.309333473934E+03 -0.99527E-04 -0.11688E-04 3875 0.275E-02 0.143E-01 RMM: 8 -0.309333361118E+03 0.11282E-03 -0.11479E-04 3878 0.281E-02 0.490E-02 RMM: 9 -0.309333363875E+03 -0.27570E-05 -0.34355E-05 2957 0.166E-02 1877 T= 6827. E= 0.67474043E+03 F= 0.64693563E+03 E0= 0.67556879E+03 EK= 0.55592E+02 SP= -.28E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.308354696811E+03 0.97866E+00 -0.75165E-01 8880 0.253E+01 0.417E-01 RMM: 2 -0.308408383573E+03 -0.53687E-01 -0.37384E-01 5409 0.138E+00 0.168E+00 RMM: 3 -0.308387009975E+03 0.21374E-01 -0.34688E-02 5727 0.374E-01 0.425E-01 RMM: 4 -0.308385597584E+03 0.14124E-02 -0.30327E-03 5206 0.119E-01 0.213E-01 RMM: 5 -0.308385436670E+03 0.16091E-03 -0.49362E-04 4151 0.496E-02 0.166E-01 RMM: 6 -0.308385323804E+03 0.11287E-03 -0.15192E-04 3875 0.331E-02 0.104E-01 RMM: 7 -0.308385477001E+03 -0.15320E-03 -0.15134E-04 3879 0.310E-02 0.175E-01 RMM: 8 -0.308385323290E+03 0.15371E-03 -0.14367E-04 3879 0.323E-02 0.617E-02 RMM: 9 -0.308385332000E+03 -0.87101E-05 -0.67099E-05 3440 0.222E-02 1878 T= 6700. E= 0.67476589E+03 F= 0.64788366E+03 E0= 0.67652632E+03 EK= 0.54563E+02 SP= -.28E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.308005807353E+03 0.37952E+00 -0.56827E-01 8912 0.249E+01 0.500E-01 RMM: 2 -0.308069496257E+03 -0.63689E-01 -0.36223E-01 5234 0.140E+00 0.210E+00 RMM: 3 -0.308036255254E+03 0.33241E-01 -0.38239E-02 5511 0.429E-01 0.512E-01 RMM: 4 -0.308034530739E+03 0.17245E-02 -0.42024E-03 5318 0.135E-01 0.218E-01 RMM: 5 -0.308034386787E+03 0.14395E-03 -0.61186E-04 4359 0.524E-02 0.181E-01 RMM: 6 -0.308034224745E+03 0.16204E-03 -0.15010E-04 3872 0.327E-02 0.950E-02 RMM: 7 -0.308034287320E+03 -0.62575E-04 -0.90367E-05 3663 0.244E-02 0.131E-01 RMM: 8 -0.308034229928E+03 0.57392E-04 -0.13102E-04 3884 0.299E-02 0.660E-02 RMM: 9 -0.308034232224E+03 -0.22957E-05 -0.55315E-05 3297 0.207E-02 1879 T= 6645. E= 0.67478283E+03 F= 0.64823476E+03 E0= 0.67688928E+03 EK= 0.54115E+02 SP= -.28E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.308503448981E+03 -0.46922E+00 -0.29764E-01 9024 0.248E+01 0.385E-01 RMM: 2 -0.308554915791E+03 -0.51467E-01 -0.28114E-01 5100 0.122E+00 0.191E+00 RMM: 3 -0.308527895149E+03 0.27021E-01 -0.28897E-02 5513 0.369E-01 0.407E-01 RMM: 4 -0.308526706948E+03 0.11882E-02 -0.30075E-03 5319 0.114E-01 0.165E-01 RMM: 5 -0.308526634071E+03 0.72877E-04 -0.41704E-04 4196 0.401E-02 0.139E-01 RMM: 6 -0.308526529339E+03 0.10473E-03 -0.80661E-05 3551 0.251E-02 0.763E-02 RMM: 7 -0.308526565345E+03 -0.36006E-04 -0.50245E-05 3203 0.192E-02 0.106E-01 RMM: 8 -0.308526528046E+03 0.37299E-04 -0.10855E-04 3884 0.253E-02 0.582E-02 RMM: 9 -0.308526513121E+03 0.14925E-04 -0.27484E-05 2800 0.154E-02 1880 T= 6690. E= 0.67477401E+03 F= 0.64774248E+03 E0= 0.67641274E+03 EK= 0.54480E+02 SP= -.27E+02 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.309718602506E+03 -0.11921E+01 -0.16293E-01 7864 0.251E+01 0.227E-01 RMM: 2 -0.309747752902E+03 -0.29150E-01 -0.21871E-01 5066 0.103E+00 0.113E+00 RMM: 3 -0.309737815637E+03 0.99373E-02 -0.21353E-02 5792 0.283E-01 0.217E-01 RMM: 4 -0.309737284272E+03 0.53137E-03 -0.12881E-03 4945 0.784E-02 0.117E-01 RMM: 5 -0.309737228413E+03 0.55859E-04 -0.18726E-04 4304 0.311E-02 0.101E-01 RMM: 6 -0.309737177602E+03 0.50811E-04 -0.36512E-05 2931 0.180E-02 0.573E-02 RMM: 7 -0.309737184426E+03 -0.68233E-05 -0.37286E-05 2844 0.183E-02 1881 T= 6819. E= 0.67474429E+03 F= 0.64653180E+03 E0= 0.67522105E+03 EK= 0.55533E+02 SP= -.27E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.311216130109E+03 -0.14790E+01 -0.19041E-01 8928 0.257E+01 0.382E-01 RMM: 2 -0.311257825483E+03 -0.41695E-01 -0.23156E-01 5149 0.110E+00 0.176E+00 RMM: 3 -0.311235521289E+03 0.22304E-01 -0.26365E-02 5532 0.345E-01 0.405E-01 RMM: 4 -0.311234279785E+03 0.12415E-02 -0.25689E-03 5126 0.103E-01 0.145E-01 RMM: 5 -0.311234193897E+03 0.85888E-04 -0.32981E-04 3969 0.409E-02 0.123E-01 RMM: 6 -0.311234123907E+03 0.69991E-04 -0.68558E-05 3496 0.230E-02 0.791E-02 RMM: 7 -0.311234162114E+03 -0.38207E-04 -0.78747E-05 3673 0.238E-02 0.110E-01 RMM: 8 -0.311234092784E+03 0.69330E-04 -0.73744E-05 3686 0.224E-02 0.484E-02 RMM: 9 -0.311234103031E+03 -0.10247E-04 -0.35590E-05 2941 0.169E-02 1882 T= 6982. E= 0.67471518E+03 F= 0.64503489E+03 E0= 0.67374542E+03 EK= 0.56857E+02 SP= -.27E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312549702654E+03 -0.13156E+01 -0.25615E-01 9000 0.262E+01 0.497E-01 RMM: 2 -0.312609620739E+03 -0.59918E-01 -0.31346E-01 5301 0.128E+00 0.225E+00 RMM: 3 -0.312574734420E+03 0.34886E-01 -0.37242E-02 5521 0.418E-01 0.412E-01 RMM: 4 -0.312573613997E+03 0.11204E-02 -0.37228E-03 5388 0.122E-01 0.232E-01 RMM: 5 -0.312573355656E+03 0.25834E-03 -0.51521E-04 4301 0.536E-02 0.169E-01 RMM: 6 -0.312573198338E+03 0.15732E-03 -0.14458E-04 3877 0.317E-02 0.821E-02 RMM: 7 -0.312573215621E+03 -0.17283E-04 -0.58909E-05 3353 0.207E-02 1883 T= 7124. E= 0.67470124E+03 F= 0.64369577E+03 E0= 0.67242614E+03 EK= 0.58015E+02 SP= -.27E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313494766279E+03 -0.92157E+00 -0.28496E-01 9048 0.264E+01 0.388E-01 RMM: 2 -0.313542467683E+03 -0.47701E-01 -0.31628E-01 5533 0.124E+00 0.174E+00 RMM: 3 -0.313521550431E+03 0.20917E-01 -0.28539E-02 5667 0.349E-01 0.365E-01 RMM: 4 -0.313520569572E+03 0.98086E-03 -0.23755E-03 5067 0.965E-02 0.184E-01 RMM: 5 -0.313520404989E+03 0.16458E-03 -0.26311E-04 4070 0.405E-02 0.139E-01 RMM: 6 -0.313520412390E+03 -0.74010E-05 -0.79052E-05 3572 0.239E-02 1884 T= 7217. E= 0.67470300E+03 F= 0.64274858E+03 E0= 0.67149618E+03 EK= 0.58768E+02 SP= -.27E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314044699459E+03 -0.52429E+00 -0.29262E-01 9024 0.262E+01 0.484E-01 RMM: 2 -0.314127739323E+03 -0.83040E-01 -0.29858E-01 5472 0.116E+00 0.286E+00 RMM: 3 -0.314069278415E+03 0.58461E-01 -0.32732E-02 5374 0.423E-01 0.476E-01 RMM: 4 -0.314067792391E+03 0.14860E-02 -0.40719E-03 5610 0.121E-01 0.175E-01 RMM: 5 -0.314067674898E+03 0.11749E-03 -0.36056E-04 4178 0.375E-02 0.149E-01 RMM: 6 -0.314067613856E+03 0.61042E-04 -0.71044E-05 3521 0.231E-02 0.122E-01 RMM: 7 -0.314067726484E+03 -0.11263E-03 -0.15684E-04 3891 0.329E-02 0.169E-01 RMM: 8 -0.314067595732E+03 0.13075E-03 -0.24879E-04 3900 0.339E-02 0.771E-02 RMM: 9 -0.314067575562E+03 0.20170E-04 -0.70620E-05 3501 0.224E-02 0.542E-02 RMM: 10 -0.314067562918E+03 0.12644E-04 -0.17837E-05 2563 0.146E-02 1885 T= 7257. E= 0.67471197E+03 F= 0.64220143E+03 E0= 0.67096594E+03 EK= 0.59096E+02 SP= -.27E+02 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314305608051E+03 -0.23803E+00 -0.31318E-01 9000 0.259E+01 0.503E-01 RMM: 2 -0.314380074813E+03 -0.74467E-01 -0.32214E-01 4962 0.122E+00 0.257E+00 RMM: 3 -0.314332229532E+03 0.47845E-01 -0.36430E-02 5406 0.438E-01 0.513E-01 RMM: 4 -0.314330569334E+03 0.16602E-02 -0.46909E-03 5414 0.144E-01 0.238E-01 RMM: 5 -0.314330558525E+03 0.10809E-04 -0.73678E-04 4566 0.642E-02 0.229E-01 RMM: 6 -0.314330275964E+03 0.28256E-03 -0.25243E-04 3883 0.409E-02 0.969E-02 RMM: 7 -0.314330393871E+03 -0.11791E-03 -0.14767E-04 3876 0.304E-02 0.155E-01 RMM: 8 -0.314330304115E+03 0.89755E-04 -0.13322E-04 3868 0.319E-02 0.640E-02 RMM: 9 -0.314330296577E+03 0.75381E-05 -0.40850E-05 3121 0.181E-02 1886 T= 7258. E= 0.67472320E+03 F= 0.64193869E+03 E0= 0.67071440E+03 EK= 0.59109E+02 SP= -.26E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314441565049E+03 -0.11126E+00 -0.32873E-01 8864 0.254E+01 0.262E-01 RMM: 2 -0.314479487286E+03 -0.37922E-01 -0.29467E-01 5153 0.116E+00 0.122E+00 RMM: 3 -0.314467489598E+03 0.11998E-01 -0.25340E-02 5857 0.314E-01 0.257E-01 RMM: 4 -0.314466752047E+03 0.73755E-03 -0.16125E-03 5079 0.894E-02 0.137E-01 RMM: 5 -0.314466654317E+03 0.97730E-04 -0.22966E-04 4103 0.345E-02 0.936E-02 RMM: 6 -0.314466611977E+03 0.42340E-04 -0.46742E-05 3133 0.195E-02 0.659E-02 RMM: 7 -0.314466640792E+03 -0.28815E-04 -0.74309E-05 3618 0.226E-02 0.100E-01 RMM: 8 -0.314466579069E+03 0.61723E-04 -0.91600E-05 3863 0.224E-02 0.411E-02 RMM: 9 -0.314466570498E+03 0.85711E-05 -0.18737E-05 2538 0.126E-02 1887 T= 7240. E= 0.67473406E+03 F= 0.64180242E+03 E0= 0.67058653E+03 EK= 0.58962E+02 SP= -.26E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314612454730E+03 -0.14588E+00 -0.32671E-01 8904 0.251E+01 0.253E-01 RMM: 2 -0.314649863325E+03 -0.37409E-01 -0.29253E-01 5241 0.115E+00 0.119E+00 RMM: 3 -0.314638336302E+03 0.11527E-01 -0.23896E-02 5820 0.307E-01 0.237E-01 RMM: 4 -0.314637774357E+03 0.56195E-03 -0.14964E-03 5082 0.866E-02 0.144E-01 RMM: 5 -0.314637655756E+03 0.11860E-03 -0.22823E-04 4142 0.330E-02 0.101E-01 RMM: 6 -0.314637606871E+03 0.48885E-04 -0.57990E-05 3274 0.218E-02 0.611E-02 RMM: 7 -0.314637644899E+03 -0.38028E-04 -0.72520E-05 3607 0.214E-02 0.102E-01 RMM: 8 -0.314637586059E+03 0.58840E-04 -0.76072E-05 3783 0.228E-02 0.378E-02 RMM: 9 -0.314637580332E+03 0.57270E-05 -0.15502E-05 2516 0.114E-02 1888 T= 7223. E= 0.67474274E+03 F= 0.64163141E+03 E0= 0.67042144E+03 EK= 0.58818E+02 SP= -.26E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314954570829E+03 -0.31698E+00 -0.30604E-01 8896 0.249E+01 0.239E-01 RMM: 2 -0.314987685157E+03 -0.33114E-01 -0.28699E-01 5161 0.115E+00 0.936E-01 RMM: 3 -0.314980059823E+03 0.76253E-02 -0.24448E-02 6009 0.299E-01 0.213E-01 RMM: 4 -0.314979494398E+03 0.56542E-03 -0.12997E-03 5026 0.824E-02 0.156E-01 RMM: 5 -0.314979385976E+03 0.10842E-03 -0.21772E-04 3957 0.361E-02 0.107E-01 RMM: 6 -0.314979325256E+03 0.60720E-04 -0.61921E-05 3337 0.224E-02 0.575E-02 RMM: 7 -0.314979362578E+03 -0.37322E-04 -0.66804E-05 3554 0.220E-02 0.931E-02 RMM: 8 -0.314979316898E+03 0.45680E-04 -0.50107E-05 3134 0.193E-02 0.412E-02 RMM: 9 -0.314979309148E+03 0.77500E-05 -0.17805E-05 2499 0.123E-02 1889 T= 7222. E= 0.67474822E+03 F= 0.64128968E+03 E0= 0.67008353E+03 EK= 0.58811E+02 SP= -.26E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315560840266E+03 -0.58152E+00 -0.27049E-01 8896 0.248E+01 0.248E-01 RMM: 2 -0.315594483832E+03 -0.33644E-01 -0.26566E-01 5142 0.111E+00 0.113E+00 RMM: 3 -0.315584141671E+03 0.10342E-01 -0.23083E-02 5922 0.296E-01 0.206E-01 RMM: 4 -0.315583666196E+03 0.47548E-03 -0.13501E-03 5003 0.827E-02 0.148E-01 RMM: 5 -0.315583567220E+03 0.98977E-04 -0.20882E-04 3993 0.330E-02 0.111E-01 RMM: 6 -0.315583496285E+03 0.70935E-04 -0.57210E-05 3285 0.216E-02 0.527E-02 RMM: 7 -0.315583518298E+03 -0.22013E-04 -0.49864E-05 3198 0.196E-02 0.823E-02 RMM: 8 -0.315583481269E+03 0.37029E-04 -0.56547E-05 3371 0.209E-02 0.354E-02 RMM: 9 -0.315583477160E+03 0.41084E-05 -0.15036E-05 2491 0.113E-02 1890 T= 7249. E= 0.67474978E+03 F= 0.64068551E+03 E0= 0.66948144E+03 EK= 0.59031E+02 SP= -.25E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316463924434E+03 -0.88044E+00 -0.24065E-01 8848 0.249E+01 0.223E-01 RMM: 2 -0.316493012437E+03 -0.29088E-01 -0.24912E-01 5076 0.108E+00 0.919E-01 RMM: 3 -0.316485974526E+03 0.70379E-02 -0.22785E-02 6106 0.285E-01 0.194E-01 RMM: 4 -0.316485438755E+03 0.53577E-03 -0.11424E-03 4905 0.781E-02 0.142E-01 RMM: 5 -0.316485342817E+03 0.95938E-04 -0.19506E-04 3932 0.349E-02 0.969E-02 RMM: 6 -0.316485291704E+03 0.51113E-04 -0.45656E-05 3121 0.196E-02 0.523E-02 RMM: 7 -0.316485307872E+03 -0.16168E-04 -0.42727E-05 3024 0.192E-02 1891 T= 7308. E= 0.67474620E+03 F= 0.63978368E+03 E0= 0.66857948E+03 EK= 0.59508E+02 SP= -.25E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317628284247E+03 -0.11430E+01 -0.22224E-01 8896 0.251E+01 0.241E-01 RMM: 2 -0.317658685210E+03 -0.30401E-01 -0.24081E-01 4982 0.107E+00 0.109E+00 RMM: 3 -0.317649585885E+03 0.90993E-02 -0.23602E-02 6003 0.295E-01 0.242E-01 RMM: 4 -0.317648904316E+03 0.68157E-03 -0.12993E-03 4928 0.802E-02 0.116E-01 RMM: 5 -0.317648844068E+03 0.60248E-04 -0.19144E-04 4035 0.340E-02 0.956E-02 RMM: 6 -0.317648800048E+03 0.44020E-04 -0.45056E-05 3082 0.193E-02 0.596E-02 RMM: 7 -0.317648824734E+03 -0.24686E-04 -0.59064E-05 3421 0.212E-02 0.898E-02 RMM: 8 -0.317648777863E+03 0.46871E-04 -0.56088E-05 3324 0.211E-02 0.382E-02 RMM: 9 -0.317648775396E+03 0.24672E-05 -0.19264E-05 2537 0.129E-02 1892 T= 7393. E= 0.67473862E+03 F= 0.63862021E+03 E0= 0.66741345E+03 EK= 0.60205E+02 SP= -.24E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318952024170E+03 -0.13032E+01 -0.23326E-01 8856 0.254E+01 0.219E-01 RMM: 2 -0.318979693621E+03 -0.27669E-01 -0.24755E-01 4924 0.110E+00 0.825E-01 RMM: 3 -0.318973903780E+03 0.57898E-02 -0.24112E-02 6155 0.288E-01 0.168E-01 RMM: 4 -0.318973498613E+03 0.40517E-03 -0.11432E-03 4960 0.807E-02 0.196E-01 RMM: 5 -0.318973264027E+03 0.23459E-03 -0.23159E-04 3936 0.390E-02 0.889E-02 RMM: 6 -0.318973218982E+03 0.45045E-04 -0.52501E-05 3203 0.210E-02 0.481E-02 RMM: 7 -0.318973221211E+03 -0.22289E-05 -0.27900E-05 2587 0.159E-02 1893 T= 7492. E= 0.67472773E+03 F= 0.63729577E+03 E0= 0.66608193E+03 EK= 0.61014E+02 SP= -.24E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320290672662E+03 -0.13175E+01 -0.22815E-01 8832 0.258E+01 0.215E-01 RMM: 2 -0.320318553756E+03 -0.27881E-01 -0.24054E-01 4915 0.110E+00 0.908E-01 RMM: 3 -0.320312168975E+03 0.63848E-02 -0.24718E-02 6182 0.290E-01 0.216E-01 RMM: 4 -0.320311443518E+03 0.72546E-03 -0.10717E-03 4899 0.766E-02 0.120E-01 RMM: 5 -0.320311349397E+03 0.94121E-04 -0.16124E-04 4051 0.335E-02 0.812E-02 RMM: 6 -0.320311337653E+03 0.11745E-04 -0.37994E-05 2803 0.180E-02 1894 T= 7587. E= 0.67471612E+03 F= 0.63595765E+03 E0= 0.66473145E+03 EK= 0.61785E+02 SP= -.24E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321480863570E+03 -0.11695E+01 -0.22768E-01 8912 0.261E+01 0.294E-01 RMM: 2 -0.321517944731E+03 -0.37081E-01 -0.23783E-01 5009 0.108E+00 0.151E+00 RMM: 3 -0.321501216645E+03 0.16728E-01 -0.23446E-02 5571 0.325E-01 0.276E-01 RMM: 4 -0.321500599415E+03 0.61723E-03 -0.19282E-03 5196 0.881E-02 0.128E-01 RMM: 5 -0.321500504634E+03 0.94781E-04 -0.22924E-04 4086 0.359E-02 0.974E-02 RMM: 6 -0.321500464525E+03 0.40109E-04 -0.41737E-05 2966 0.188E-02 0.708E-02 RMM: 7 -0.321500479738E+03 -0.15214E-04 -0.58844E-05 3371 0.216E-02 1895 T= 7657. E= 0.67470510E+03 F= 0.63476851E+03 E0= 0.66352437E+03 EK= 0.62354E+02 SP= -.23E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322375576725E+03 -0.87511E+00 -0.23281E-01 8872 0.264E+01 0.320E-01 RMM: 2 -0.322414328964E+03 -0.38752E-01 -0.24819E-01 4836 0.113E+00 0.156E+00 RMM: 3 -0.322397175280E+03 0.17154E-01 -0.27238E-02 5672 0.343E-01 0.340E-01 RMM: 4 -0.322396178021E+03 0.99726E-03 -0.23267E-03 5346 0.104E-01 0.146E-01 RMM: 5 -0.322396126508E+03 0.51512E-04 -0.34615E-04 3916 0.422E-02 0.133E-01 RMM: 6 -0.322396018656E+03 0.10785E-03 -0.84739E-05 3629 0.251E-02 0.543E-02 RMM: 7 -0.322396026890E+03 -0.82338E-05 -0.32670E-05 2814 0.162E-02 1896 T= 7684. E= 0.67469731E+03 F= 0.63387296E+03 E0= 0.66260422E+03 EK= 0.62575E+02 SP= -.22E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322878325170E+03 -0.48231E+00 -0.25043E-01 8688 0.265E+01 0.290E-01 RMM: 2 -0.322919244083E+03 -0.40919E-01 -0.27194E-01 4889 0.119E+00 0.153E+00 RMM: 3 -0.322901946859E+03 0.17297E-01 -0.28235E-02 5780 0.338E-01 0.281E-01 RMM: 4 -0.322901088529E+03 0.85833E-03 -0.18730E-03 5279 0.908E-02 0.118E-01 RMM: 5 -0.322901026903E+03 0.61626E-04 -0.24744E-04 4054 0.359E-02 0.103E-01 RMM: 6 -0.322900974528E+03 0.52375E-04 -0.56405E-05 3270 0.211E-02 0.661E-02 RMM: 7 -0.322900989781E+03 -0.15253E-04 -0.39258E-05 2927 0.178E-02 1897 T= 7657. E= 0.67469355E+03 F= 0.63336800E+03 E0= 0.66206599E+03 EK= 0.62357E+02 SP= -.22E+02 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322959892094E+03 -0.58918E-01 -0.22035E-01 8728 0.265E+01 0.233E-01 RMM: 2 -0.322988475344E+03 -0.28583E-01 -0.22542E-01 4979 0.106E+00 0.106E+00 RMM: 3 -0.322979770625E+03 0.87047E-02 -0.22596E-02 5901 0.297E-01 0.245E-01 RMM: 4 -0.322979108460E+03 0.66217E-03 -0.13029E-03 5020 0.785E-02 0.107E-01 RMM: 5 -0.322979058003E+03 0.50456E-04 -0.18861E-04 4008 0.340E-02 0.894E-02 RMM: 6 -0.322979014490E+03 0.43513E-04 -0.42695E-05 3052 0.189E-02 0.512E-02 RMM: 7 -0.322979022583E+03 -0.80931E-05 -0.31025E-05 2642 0.169E-02 1898 T= 7573. E= 0.67469487E+03 F= 0.63328997E+03 E0= 0.66194967E+03 EK= 0.61671E+02 SP= -.21E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322639808035E+03 0.33921E+00 -0.21889E-01 8320 0.263E+01 0.247E-01 RMM: 2 -0.322674952089E+03 -0.35144E-01 -0.26661E-01 4958 0.119E+00 0.125E+00 RMM: 3 -0.322663570503E+03 0.11382E-01 -0.27010E-02 5910 0.318E-01 0.224E-01 RMM: 4 -0.322662873710E+03 0.69679E-03 -0.14457E-03 5183 0.826E-02 0.117E-01 RMM: 5 -0.322662807667E+03 0.66044E-04 -0.19766E-04 4102 0.340E-02 0.958E-02 RMM: 6 -0.322662758273E+03 0.49393E-04 -0.49152E-05 3153 0.201E-02 0.579E-02 RMM: 7 -0.322662773792E+03 -0.15519E-04 -0.38366E-05 2829 0.177E-02 1899 T= 7436. E= 0.67470020E+03 F= 0.63360622E+03 E0= 0.66222271E+03 EK= 0.60558E+02 SP= -.20E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322022771771E+03 0.63999E+00 -0.18557E-01 8368 0.260E+01 0.240E-01 RMM: 2 -0.322051081426E+03 -0.28310E-01 -0.21738E-01 4977 0.107E+00 0.110E+00 RMM: 3 -0.322042024379E+03 0.90570E-02 -0.22179E-02 5744 0.299E-01 0.241E-01 RMM: 4 -0.322041438359E+03 0.58602E-03 -0.13382E-03 5098 0.777E-02 0.107E-01 RMM: 5 -0.322041385197E+03 0.53161E-04 -0.17734E-04 4120 0.331E-02 0.946E-02 RMM: 6 -0.322041336001E+03 0.49197E-04 -0.41881E-05 3051 0.190E-02 0.545E-02 RMM: 7 -0.322041345566E+03 -0.95658E-05 -0.38973E-05 2884 0.184E-02 1900 T= 7260. E= 0.67470830E+03 F= 0.63422764E+03 E0= 0.66279989E+03 EK= 0.59118E+02 SP= -.20E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321226135380E+03 0.81520E+00 -0.16173E-01 8288 0.256E+01 0.230E-01 RMM: 2 -0.321251162444E+03 -0.25027E-01 -0.18333E-01 5037 0.977E-01 0.112E+00 RMM: 3 -0.321242112450E+03 0.90500E-02 -0.18653E-02 5760 0.275E-01 0.215E-01 RMM: 4 -0.321241636837E+03 0.47561E-03 -0.11533E-03 4893 0.744E-02 0.116E-01 RMM: 5 -0.321241565915E+03 0.70922E-04 -0.16160E-04 4007 0.318E-02 0.915E-02 RMM: 6 -0.321241521580E+03 0.44335E-04 -0.39575E-05 3004 0.185E-02 0.536E-02 RMM: 7 -0.321241527851E+03 -0.62705E-05 -0.28211E-05 2603 0.159E-02 1901 T= 7060. E= 0.67471770E+03 F= 0.63502746E+03 E0= 0.66355626E+03 EK= 0.57491E+02 SP= -.19E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320387602131E+03 0.85392E+00 -0.14271E-01 7704 0.251E+01 0.223E-01 RMM: 2 -0.320410874120E+03 -0.23272E-01 -0.17554E-01 4924 0.965E-01 0.103E+00 RMM: 3 -0.320403015158E+03 0.78590E-02 -0.19493E-02 5726 0.276E-01 0.219E-01 RMM: 4 -0.320402525430E+03 0.48973E-03 -0.11544E-03 5063 0.714E-02 0.101E-01 RMM: 5 -0.320402467934E+03 0.57496E-04 -0.14780E-04 4001 0.315E-02 0.888E-02 RMM: 6 -0.320402425682E+03 0.42252E-04 -0.35353E-05 2916 0.177E-02 0.539E-02 RMM: 7 -0.320402427115E+03 -0.14330E-05 -0.38519E-05 2803 0.184E-02 1902 T= 6855. E= 0.67472638E+03 F= 0.63586656E+03 E0= 0.66435558E+03 EK= 0.55825E+02 SP= -.18E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319642216183E+03 0.76021E+00 -0.12253E-01 7784 0.247E+01 0.188E-01 RMM: 2 -0.319657703527E+03 -0.15487E-01 -0.11859E-01 4942 0.808E-01 0.855E-01 RMM: 3 -0.319652440991E+03 0.52625E-02 -0.13085E-02 5814 0.228E-01 0.174E-01 RMM: 4 -0.319652145649E+03 0.29534E-03 -0.75400E-04 4753 0.623E-02 0.111E-01 RMM: 5 -0.319652069137E+03 0.76512E-04 -0.11513E-04 3754 0.287E-02 0.771E-02 RMM: 6 -0.319652037576E+03 0.31560E-04 -0.30241E-05 2748 0.166E-02 0.454E-02 RMM: 7 -0.319652038372E+03 -0.79517E-06 -0.22023E-05 2546 0.143E-02 1903 T= 6662. E= 0.67473341E+03 F= 0.63661695E+03 E0= 0.66507193E+03 EK= 0.54255E+02 SP= -.17E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319082638266E+03 0.56940E+00 -0.11927E-01 7592 0.244E+01 0.208E-01 RMM: 2 -0.319101483128E+03 -0.18845E-01 -0.13438E-01 4746 0.877E-01 0.995E-01 RMM: 3 -0.319094365139E+03 0.71180E-02 -0.16143E-02 5717 0.253E-01 0.190E-01 RMM: 4 -0.319093995542E+03 0.36960E-03 -0.93422E-04 4916 0.664E-02 0.922E-02 RMM: 5 -0.319093947816E+03 0.47726E-04 -0.12593E-04 3960 0.290E-02 0.775E-02 RMM: 6 -0.319093914050E+03 0.33766E-04 -0.30857E-05 2674 0.167E-02 0.426E-02 RMM: 7 -0.319093915229E+03 -0.11792E-05 -0.19030E-05 2520 0.136E-02 1904 T= 6495. E= 0.67473853E+03 F= 0.63717507E+03 E0= 0.66560423E+03 EK= 0.52891E+02 SP= -.17E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318793236588E+03 0.30068E+00 -0.11371E-01 7496 0.241E+01 0.193E-01 RMM: 2 -0.318806877532E+03 -0.13641E-01 -0.93250E-02 4926 0.731E-01 0.907E-01 RMM: 3 -0.318801133787E+03 0.57437E-02 -0.10721E-02 5582 0.213E-01 0.188E-01 RMM: 4 -0.318800861949E+03 0.27184E-03 -0.71733E-04 4729 0.586E-02 0.917E-02 RMM: 5 -0.318800817004E+03 0.44945E-04 -0.10517E-04 3731 0.272E-02 0.763E-02 RMM: 6 -0.318800782716E+03 0.34289E-04 -0.28954E-05 2726 0.164E-02 0.384E-02 RMM: 7 -0.318800783774E+03 -0.10587E-05 -0.17365E-05 2498 0.130E-02 1905 T= 6362. E= 0.67474149E+03 F= 0.63746821E+03 E0= 0.66588062E+03 EK= 0.51809E+02 SP= -.16E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318807609985E+03 -0.68273E-02 -0.11725E-01 7664 0.238E+01 0.196E-01 RMM: 2 -0.318821553116E+03 -0.13943E-01 -0.97890E-02 4855 0.750E-01 0.897E-01 RMM: 3 -0.318815867620E+03 0.56855E-02 -0.11568E-02 5636 0.222E-01 0.176E-01 RMM: 4 -0.318815618282E+03 0.24934E-03 -0.74832E-04 4844 0.576E-02 0.899E-02 RMM: 5 -0.318815580066E+03 0.38216E-04 -0.10314E-04 3731 0.269E-02 0.809E-02 RMM: 6 -0.318815541291E+03 0.38775E-04 -0.29727E-05 2717 0.165E-02 0.383E-02 RMM: 7 -0.318815541629E+03 -0.33847E-06 -0.19765E-05 2507 0.138E-02 1906 T= 6269. E= 0.67474243E+03 F= 0.63745345E+03 E0= 0.66585922E+03 EK= 0.51052E+02 SP= -.15E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319145965580E+03 -0.33042E+00 -0.11391E-01 7864 0.236E+01 0.194E-01 RMM: 2 -0.319158744991E+03 -0.12779E-01 -0.84094E-02 5075 0.688E-01 0.908E-01 RMM: 3 -0.319152919198E+03 0.58258E-02 -0.90663E-03 5648 0.195E-01 0.191E-01 RMM: 4 -0.319152627398E+03 0.29180E-03 -0.66100E-04 4670 0.565E-02 0.882E-02 RMM: 5 -0.319152594395E+03 0.33003E-04 -0.98288E-05 3689 0.255E-02 0.786E-02 RMM: 6 -0.319152557230E+03 0.37164E-04 -0.26637E-05 2697 0.162E-02 0.371E-02 RMM: 7 -0.319152557980E+03 -0.74991E-06 -0.15013E-05 2492 0.119E-02 1907 T= 6218. E= 0.67474141E+03 F= 0.63711643E+03 E0= 0.66552576E+03 EK= 0.50632E+02 SP= -.14E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319790552506E+03 -0.63800E+00 -0.11416E-01 7752 0.235E+01 0.187E-01 RMM: 2 -0.319802846933E+03 -0.12294E-01 -0.91100E-02 5039 0.708E-01 0.817E-01 RMM: 3 -0.319798079132E+03 0.47678E-02 -0.98150E-03 5751 0.200E-01 0.164E-01 RMM: 4 -0.319797844581E+03 0.23455E-03 -0.64434E-04 4766 0.546E-02 0.963E-02 RMM: 5 -0.319797793949E+03 0.50632E-04 -0.91236E-05 3658 0.244E-02 0.764E-02 RMM: 6 -0.319797760910E+03 0.33039E-04 -0.25016E-05 2598 0.155E-02 0.387E-02 RMM: 7 -0.319797761183E+03 -0.27230E-06 -0.17138E-05 2509 0.125E-02 1908 T= 6205. E= 0.67473882E+03 F= 0.63647123E+03 E0= 0.66489386E+03 EK= 0.50533E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320704344886E+03 -0.90658E+00 -0.11424E-01 7936 0.235E+01 0.189E-01 RMM: 2 -0.320718317493E+03 -0.13973E-01 -0.98332E-02 5052 0.726E-01 0.889E-01 RMM: 3 -0.320712660049E+03 0.56574E-02 -0.10722E-02 5771 0.203E-01 0.193E-01 RMM: 4 -0.320712317854E+03 0.34219E-03 -0.70312E-04 4676 0.591E-02 0.922E-02 RMM: 5 -0.320712280576E+03 0.37278E-04 -0.10747E-04 3719 0.262E-02 0.785E-02 RMM: 6 -0.320712244309E+03 0.36267E-04 -0.25806E-05 2659 0.159E-02 0.395E-02 RMM: 7 -0.320712244245E+03 0.63927E-07 -0.14696E-05 2497 0.117E-02 1909 T= 6227. E= 0.67473412E+03 F= 0.63555675E+03 E0= 0.66400055E+03 EK= 0.50712E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321824619420E+03 -0.11124E+01 -0.11328E-01 7936 0.235E+01 0.199E-01 RMM: 2 -0.321838289309E+03 -0.13670E-01 -0.10073E-01 5157 0.731E-01 0.869E-01 RMM: 3 -0.321832890182E+03 0.53991E-02 -0.10664E-02 5767 0.204E-01 0.166E-01 RMM: 4 -0.321832627529E+03 0.26265E-03 -0.72721E-04 4746 0.574E-02 0.106E-01 RMM: 5 -0.321832568228E+03 0.59301E-04 -0.10523E-04 3750 0.260E-02 0.766E-02 RMM: 6 -0.321832533305E+03 0.34923E-04 -0.25873E-05 2641 0.158E-02 0.403E-02 RMM: 7 -0.321832531908E+03 0.13973E-05 -0.16896E-05 2516 0.124E-02 1910 T= 6275. E= 0.67472831E+03 F= 0.63443646E+03 E0= 0.66290843E+03 EK= 0.51101E+02 SP= -.12E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323070170253E+03 -0.12376E+01 -0.11124E-01 7984 0.236E+01 0.199E-01 RMM: 2 -0.323085287666E+03 -0.15117E-01 -0.10125E-01 5129 0.728E-01 0.965E-01 RMM: 3 -0.323078729221E+03 0.65584E-02 -0.10954E-02 5744 0.207E-01 0.191E-01 RMM: 4 -0.323078409447E+03 0.31977E-03 -0.76431E-04 4677 0.605E-02 0.105E-01 RMM: 5 -0.323078354787E+03 0.54661E-04 -0.11706E-04 3748 0.273E-02 0.789E-02 RMM: 6 -0.323078318251E+03 0.36536E-04 -0.26277E-05 2668 0.159E-02 0.423E-02 RMM: 7 -0.323078316412E+03 0.18391E-05 -0.14781E-05 2496 0.116E-02 1911 T= 6338. E= 0.67472195E+03 F= 0.63319067E+03 E0= 0.66169633E+03 EK= 0.51617E+02 SP= -.11E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324355074302E+03 -0.12768E+01 -0.11561E-01 8040 0.238E+01 0.213E-01 RMM: 2 -0.324370597157E+03 -0.15523E-01 -0.10812E-01 5123 0.757E-01 0.968E-01 RMM: 3 -0.324364068262E+03 0.65289E-02 -0.11837E-02 5736 0.217E-01 0.195E-01 RMM: 4 -0.324363713281E+03 0.35498E-03 -0.82832E-04 4789 0.610E-02 0.101E-01 RMM: 5 -0.324363666877E+03 0.46404E-04 -0.12300E-04 3825 0.285E-02 0.839E-02 RMM: 6 -0.324363624209E+03 0.42668E-04 -0.30379E-05 2785 0.170E-02 0.422E-02 RMM: 7 -0.324363622572E+03 0.16369E-05 -0.15856E-05 2503 0.121E-02 1912 T= 6407. E= 0.67471577E+03 F= 0.63190537E+03 E0= 0.66044878E+03 EK= 0.52171E+02 SP= -.10E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325600159127E+03 -0.12365E+01 -0.11351E-01 8152 0.239E+01 0.206E-01 RMM: 2 -0.325615998195E+03 -0.15839E-01 -0.10314E-01 5182 0.734E-01 0.101E+00 RMM: 3 -0.325608821421E+03 0.71768E-02 -0.11133E-02 5752 0.209E-01 0.186E-01 RMM: 4 -0.325608517247E+03 0.30417E-03 -0.77794E-04 4691 0.606E-02 0.112E-01 RMM: 5 -0.325608448946E+03 0.68302E-04 -0.11630E-04 3765 0.278E-02 0.771E-02 RMM: 6 -0.325608415096E+03 0.33850E-04 -0.26716E-05 2643 0.158E-02 0.428E-02 RMM: 7 -0.325608413315E+03 0.17803E-05 -0.15990E-05 2506 0.120E-02 1913 T= 6469. E= 0.67471043E+03 F= 0.63066058E+03 E0= 0.65924434E+03 EK= 0.52682E+02 SP= -.97E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326740268452E+03 -0.11319E+01 -0.11487E-01 7968 0.241E+01 0.208E-01 RMM: 2 -0.326755484773E+03 -0.15216E-01 -0.10983E-01 5127 0.758E-01 0.929E-01 RMM: 3 -0.326749313593E+03 0.61712E-02 -0.11537E-02 5772 0.214E-01 0.195E-01 RMM: 4 -0.326748953243E+03 0.36035E-03 -0.78678E-04 4779 0.602E-02 0.995E-02 RMM: 5 -0.326748911889E+03 0.41354E-04 -0.12111E-04 3814 0.287E-02 0.872E-02 RMM: 6 -0.326748865228E+03 0.46661E-04 -0.32608E-05 2863 0.177E-02 0.412E-02 RMM: 7 -0.326748863841E+03 0.13868E-05 -0.17506E-05 2509 0.126E-02 1914 T= 6519. E= 0.67470703E+03 F= 0.62952013E+03 E0= 0.65814433E+03 EK= 0.53085E+02 SP= -.90E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327738874505E+03 -0.99001E+00 -0.11824E-01 7848 0.242E+01 0.198E-01 RMM: 2 -0.327754122551E+03 -0.15248E-01 -0.10671E-01 5083 0.749E-01 0.946E-01 RMM: 3 -0.327747772325E+03 0.63502E-02 -0.11416E-02 5851 0.209E-01 0.163E-01 RMM: 4 -0.327747500894E+03 0.27143E-03 -0.70187E-04 4690 0.589E-02 0.114E-01 RMM: 5 -0.327747426586E+03 0.74308E-04 -0.10640E-04 3686 0.274E-02 0.723E-02 RMM: 6 -0.327747397797E+03 0.28788E-04 -0.25307E-05 2602 0.153E-02 0.408E-02 RMM: 7 -0.327747397626E+03 0.17093E-06 -0.18267E-05 2515 0.127E-02 1915 T= 6550. E= 0.67470541E+03 F= 0.62852159E+03 E0= 0.65718442E+03 EK= 0.53342E+02 SP= -.82E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328588202063E+03 -0.84080E+00 -0.11997E-01 7752 0.242E+01 0.177E-01 RMM: 2 -0.328601232733E+03 -0.13031E-01 -0.10616E-01 5120 0.736E-01 0.746E-01 RMM: 3 -0.328596910147E+03 0.43226E-02 -0.10359E-02 5931 0.199E-01 0.171E-01 RMM: 4 -0.328596627009E+03 0.28314E-03 -0.58851E-04 4742 0.539E-02 0.969E-02 RMM: 5 -0.328596576861E+03 0.50148E-04 -0.94168E-05 3643 0.260E-02 0.781E-02 RMM: 6 -0.328596541605E+03 0.35256E-04 -0.28265E-05 2727 0.166E-02 0.410E-02 RMM: 7 -0.328596539381E+03 0.22241E-05 -0.23211E-05 2518 0.145E-02 1916 T= 6563. E= 0.67470544E+03 F= 0.62767245E+03 E0= 0.65636872E+03 EK= 0.53448E+02 SP= -.75E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329308213244E+03 -0.71167E+00 -0.12261E-01 7776 0.242E+01 0.163E-01 RMM: 2 -0.329321232379E+03 -0.13019E-01 -0.11143E-01 4974 0.765E-01 0.670E-01 RMM: 3 -0.329317782165E+03 0.34502E-02 -0.12123E-02 6079 0.203E-01 0.147E-01 RMM: 4 -0.329317488190E+03 0.29397E-03 -0.55413E-04 4624 0.556E-02 0.104E-01 RMM: 5 -0.329317417965E+03 0.70225E-04 -0.88067E-05 3525 0.266E-02 0.635E-02 RMM: 6 -0.329317398575E+03 0.19390E-04 -0.24028E-05 2567 0.149E-02 1917 T= 6560. E= 0.67470757E+03 F= 0.62695159E+03 E0= 0.65567496E+03 EK= 0.53424E+02 SP= -.68E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329942240959E+03 -0.62482E+00 -0.12564E-01 7672 0.242E+01 0.194E-01 RMM: 2 -0.329961341772E+03 -0.19101E-01 -0.12497E-01 4971 0.811E-01 0.107E+00 RMM: 3 -0.329952997036E+03 0.83447E-02 -0.13849E-02 5717 0.230E-01 0.179E-01 RMM: 4 -0.329952639729E+03 0.35731E-03 -0.79707E-04 4847 0.600E-02 0.792E-02 RMM: 5 -0.329952597096E+03 0.42633E-04 -0.93215E-05 3915 0.251E-02 0.648E-02 RMM: 6 -0.329952586604E+03 0.10492E-04 -0.22381E-05 2544 0.140E-02 1918 T= 6547. E= 0.67471080E+03 F= 0.62631640E+03 E0= 0.65505875E+03 EK= 0.53314E+02 SP= -.60E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330545675515E+03 -0.59308E+00 -0.12057E-01 7512 0.242E+01 0.260E-01 RMM: 2 -0.330570333111E+03 -0.24658E-01 -0.11617E-01 4888 0.808E-01 0.145E+00 RMM: 3 -0.330555372309E+03 0.14961E-01 -0.14609E-02 5443 0.269E-01 0.263E-01 RMM: 4 -0.330554864510E+03 0.50780E-03 -0.13686E-03 4769 0.766E-02 0.820E-02 RMM: 5 -0.330554837269E+03 0.27242E-04 -0.16238E-04 4205 0.291E-02 0.789E-02 RMM: 6 -0.330554803755E+03 0.33514E-04 -0.27788E-05 2655 0.160E-02 0.462E-02 RMM: 7 -0.330554819477E+03 -0.15722E-04 -0.24568E-05 2574 0.152E-02 1919 T= 6529. E= 0.67471318E+03 F= 0.62571417E+03 E0= 0.65446701E+03 EK= 0.53170E+02 SP= -.53E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331164819895E+03 -0.61002E+00 -0.11869E-01 7544 0.242E+01 0.266E-01 RMM: 2 -0.331185248534E+03 -0.20429E-01 -0.98426E-02 4920 0.753E-01 0.135E+00 RMM: 3 -0.331172700280E+03 0.12548E-01 -0.12516E-02 5405 0.259E-01 0.299E-01 RMM: 4 -0.331172128027E+03 0.57225E-03 -0.13816E-03 4796 0.798E-02 0.109E-01 RMM: 5 -0.331172151486E+03 -0.23459E-04 -0.22176E-04 3897 0.384E-02 0.130E-01 RMM: 6 -0.331172035785E+03 0.11570E-03 -0.66286E-05 3400 0.240E-02 0.335E-02 RMM: 7 -0.331172037419E+03 -0.16339E-05 -0.17468E-05 2526 0.128E-02 1920 T= 6513. E= 0.67471461E+03 F= 0.62509695E+03 E0= 0.65385092E+03 EK= 0.53042E+02 SP= -.45E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331827029845E+03 -0.65499E+00 -0.12131E-01 7600 0.242E+01 0.196E-01 RMM: 2 -0.331842996889E+03 -0.15967E-01 -0.10919E-01 4806 0.799E-01 0.975E-01 RMM: 3 -0.331836412270E+03 0.65846E-02 -0.13072E-02 5591 0.235E-01 0.165E-01 RMM: 4 -0.331836168930E+03 0.24334E-03 -0.81414E-04 4940 0.597E-02 0.879E-02 RMM: 5 -0.331836118926E+03 0.50004E-04 -0.10553E-04 3807 0.283E-02 0.723E-02 RMM: 6 -0.331836089918E+03 0.29007E-04 -0.27959E-05 2605 0.159E-02 0.415E-02 RMM: 7 -0.331836084733E+03 0.51852E-05 -0.30040E-05 2604 0.157E-02 1921 T= 6503. E= 0.67471453E+03 F= 0.62443290E+03 E0= 0.65317997E+03 EK= 0.52959E+02 SP= -.38E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332545846757E+03 -0.70976E+00 -0.11429E-01 7504 0.243E+01 0.173E-01 RMM: 2 -0.332560733095E+03 -0.14886E-01 -0.11303E-01 4734 0.822E-01 0.840E-01 RMM: 3 -0.332555836895E+03 0.48962E-02 -0.13611E-02 5879 0.219E-01 0.155E-01 RMM: 4 -0.332555530583E+03 0.30631E-03 -0.68337E-04 4698 0.621E-02 0.927E-02 RMM: 5 -0.332555484830E+03 0.45753E-04 -0.10225E-04 3684 0.290E-02 0.668E-02 RMM: 6 -0.332555460662E+03 0.24169E-04 -0.26383E-05 2563 0.153E-02 0.381E-02 RMM: 7 -0.332555461875E+03 -0.12135E-05 -0.18215E-05 2501 0.136E-02 1922 T= 6500. E= 0.67471273E+03 F= 0.62371353E+03 E0= 0.65244512E+03 EK= 0.52931E+02 SP= -.30E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333305834987E+03 -0.75037E+00 -0.11380E-01 7632 0.243E+01 0.163E-01 RMM: 2 -0.333319191873E+03 -0.13357E-01 -0.11747E-01 4766 0.829E-01 0.655E-01 RMM: 3 -0.333316153369E+03 0.30385E-02 -0.13879E-02 5929 0.216E-01 0.114E-01 RMM: 4 -0.333315933246E+03 0.22012E-03 -0.62669E-04 4769 0.591E-02 0.118E-01 RMM: 5 -0.333315839317E+03 0.93930E-04 -0.98192E-05 3640 0.283E-02 0.617E-02 RMM: 6 -0.333315820560E+03 0.18757E-04 -0.26561E-05 2553 0.152E-02 1923 T= 6501. E= 0.67471010E+03 F= 0.62295317E+03 E0= 0.65166174E+03 EK= 0.52943E+02 SP= -.23E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334079395368E+03 -0.76356E+00 -0.10753E-01 7248 0.244E+01 0.175E-01 RMM: 2 -0.334090420275E+03 -0.11025E-01 -0.80161E-02 5037 0.693E-01 0.801E-01 RMM: 3 -0.334086119039E+03 0.43012E-02 -0.85741E-03 5630 0.186E-01 0.142E-01 RMM: 4 -0.334085952856E+03 0.16618E-03 -0.52482E-04 4638 0.511E-02 0.972E-02 RMM: 5 -0.334085884685E+03 0.68171E-04 -0.77571E-05 3601 0.242E-02 0.595E-02 RMM: 6 -0.334085870932E+03 0.13754E-04 -0.22426E-05 2545 0.141E-02 1924 T= 6504. E= 0.67470748E+03 F= 0.62218312E+03 E0= 0.65086176E+03 EK= 0.52964E+02 SP= -.16E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334824724085E+03 -0.73884E+00 -0.11134E-01 7056 0.244E+01 0.254E-01 RMM: 2 -0.334842135620E+03 -0.17412E-01 -0.68351E-02 5268 0.664E-01 0.134E+00 RMM: 3 -0.334829825198E+03 0.12310E-01 -0.82042E-03 5357 0.214E-01 0.240E-01 RMM: 4 -0.334829429979E+03 0.39522E-03 -0.94076E-04 4608 0.665E-02 0.903E-02 RMM: 5 -0.334829393432E+03 0.36547E-04 -0.12465E-04 3868 0.287E-02 0.882E-02 RMM: 6 -0.334829346863E+03 0.46569E-04 -0.30981E-05 2838 0.175E-02 0.420E-02 RMM: 7 -0.334829348766E+03 -0.19030E-05 -0.18487E-05 2509 0.134E-02 1925 T= 6503. E= 0.67470497E+03 F= 0.62143964E+03 E0= 0.65008314E+03 EK= 0.52959E+02 SP= -.81E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335510985290E+03 -0.68164E+00 -0.11027E-01 7104 0.244E+01 0.260E-01 RMM: 2 -0.335526194817E+03 -0.15210E-01 -0.69907E-02 5316 0.669E-01 0.125E+00 RMM: 3 -0.335516009727E+03 0.10185E-01 -0.79923E-03 5368 0.209E-01 0.242E-01 RMM: 4 -0.335515631687E+03 0.37804E-03 -0.97017E-04 4607 0.688E-02 0.105E-01 RMM: 5 -0.335515587895E+03 0.43792E-04 -0.12947E-04 3859 0.289E-02 0.966E-02 RMM: 6 -0.335515528665E+03 0.59230E-04 -0.30978E-05 2827 0.178E-02 0.296E-02 RMM: 7 -0.335515529019E+03 -0.35380E-06 -0.18093E-05 2489 0.132E-02 1926 T= 6496. E= 0.67470329E+03 F= 0.62075346E+03 E0= 0.64935827E+03 EK= 0.52898E+02 SP= -.66E-01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336122539715E+03 -0.60701E+00 -0.10645E-01 7240 0.243E+01 0.187E-01 RMM: 2 -0.336132526047E+03 -0.99863E-02 -0.70521E-02 5225 0.659E-01 0.811E-01 RMM: 3 -0.336128169413E+03 0.43566E-02 -0.71122E-03 5619 0.172E-01 0.138E-01 RMM: 4 -0.336128048162E+03 0.12125E-03 -0.51275E-04 4570 0.509E-02 0.116E-01 RMM: 5 -0.336127956661E+03 0.91501E-04 -0.84509E-05 3625 0.242E-02 0.692E-02 RMM: 6 -0.336127928426E+03 0.28236E-04 -0.26059E-05 2669 0.157E-02 0.373E-02 RMM: 7 -0.336127920028E+03 0.83982E-05 -0.25847E-05 2532 0.149E-02 1927 T= 6479. E= 0.67470225E+03 F= 0.62014107E+03 E0= 0.64870584E+03 EK= 0.52765E+02 SP= 0.68E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336659908610E+03 -0.53198E+00 -0.10739E-01 7408 0.242E+01 0.197E-01 RMM: 2 -0.336670798457E+03 -0.10890E-01 -0.67224E-02 5107 0.659E-01 0.921E-01 RMM: 3 -0.336665215134E+03 0.55833E-02 -0.74453E-03 5567 0.184E-01 0.160E-01 RMM: 4 -0.336665038390E+03 0.17674E-03 -0.58288E-04 4592 0.543E-02 0.977E-02 RMM: 5 -0.336664967857E+03 0.70533E-04 -0.79747E-05 3599 0.237E-02 0.558E-02 RMM: 6 -0.336664953017E+03 0.14840E-04 -0.19350E-05 2536 0.134E-02 1928 T= 6454. E= 0.67470268E+03 F= 0.61960404E+03 E0= 0.64812924E+03 EK= 0.52561E+02 SP= 0.14E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337130708265E+03 -0.46574E+00 -0.10908E-01 7520 0.241E+01 0.185E-01 RMM: 2 -0.337142801213E+03 -0.12093E-01 -0.78320E-02 4905 0.695E-01 0.904E-01 RMM: 3 -0.337137354678E+03 0.54465E-02 -0.94222E-03 5539 0.203E-01 0.142E-01 RMM: 4 -0.337137194369E+03 0.16031E-03 -0.60213E-04 4809 0.516E-02 0.868E-02 RMM: 5 -0.337137132652E+03 0.61717E-04 -0.72394E-05 3537 0.248E-02 0.547E-02 RMM: 6 -0.337137119456E+03 0.13197E-04 -0.20780E-05 2530 0.135E-02 1929 T= 6422. E= 0.67470370E+03 F= 0.61913187E+03 E0= 0.64762015E+03 EK= 0.52298E+02 SP= 0.22E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337552396406E+03 -0.41526E+00 -0.10537E-01 7328 0.240E+01 0.238E-01 RMM: 2 -0.337569644443E+03 -0.17248E-01 -0.72354E-02 4866 0.690E-01 0.129E+00 RMM: 3 -0.337558255719E+03 0.11389E-01 -0.10184E-02 5358 0.236E-01 0.222E-01 RMM: 4 -0.337557905153E+03 0.35057E-03 -0.95823E-04 4639 0.653E-02 0.708E-02 RMM: 5 -0.337557882301E+03 0.22853E-04 -0.10781E-04 3976 0.260E-02 0.733E-02 RMM: 6 -0.337557850145E+03 0.32156E-04 -0.22635E-05 2550 0.143E-02 0.395E-02 RMM: 7 -0.337557850628E+03 -0.48389E-06 -0.21681E-05 2508 0.150E-02 1930 T= 6384. E= 0.67470403E+03 F= 0.61871114E+03 E0= 0.64716715E+03 EK= 0.51990E+02 SP= 0.29E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337929765272E+03 -0.37192E+00 -0.10272E-01 7328 0.239E+01 0.235E-01 RMM: 2 -0.337944999255E+03 -0.15234E-01 -0.74712E-02 4795 0.696E-01 0.115E+00 RMM: 3 -0.337935878538E+03 0.91207E-02 -0.10171E-02 5377 0.230E-01 0.242E-01 RMM: 4 -0.337935497797E+03 0.38074E-03 -0.10408E-03 4636 0.708E-02 0.103E-01 RMM: 5 -0.337935507822E+03 -0.10025E-04 -0.16028E-04 3874 0.336E-02 1931 T= 6342. E= 0.67470537E+03 F= 0.61833348E+03 E0= 0.64676339E+03 EK= 0.51648E+02 SP= 0.36E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338259613708E+03 -0.32412E+00 -0.10321E-01 7496 0.238E+01 0.157E-01 RMM: 2 -0.338272220812E+03 -0.12607E-01 -0.85131E-02 4800 0.708E-01 0.847E-01 RMM: 3 -0.338267227847E+03 0.49930E-02 -0.10502E-02 5605 0.205E-01 0.138E-01 RMM: 4 -0.338267033084E+03 0.19476E-03 -0.56795E-04 4760 0.519E-02 0.789E-02 RMM: 5 -0.338266981862E+03 0.51222E-04 -0.70347E-05 3394 0.245E-02 0.554E-02 RMM: 6 -0.338266969431E+03 0.12431E-04 -0.21948E-05 2511 0.141E-02 1932 T= 6296. E= 0.67470683E+03 F= 0.61800202E+03 E0= 0.64641122E+03 EK= 0.51272E+02 SP= 0.44E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338535156975E+03 -0.26818E+00 -0.10931E-01 7280 0.238E+01 0.231E-01 RMM: 2 -0.338555437680E+03 -0.20281E-01 -0.89304E-02 4689 0.752E-01 0.134E+00 RMM: 3 -0.338542694780E+03 0.12743E-01 -0.12105E-02 5372 0.248E-01 0.212E-01 RMM: 4 -0.338542383228E+03 0.31155E-03 -0.10607E-03 4742 0.663E-02 0.688E-02 RMM: 5 -0.338542369755E+03 0.13473E-04 -0.12350E-04 3958 0.289E-02 1933 T= 6244. E= 0.67470679E+03 F= 0.61772662E+03 E0= 0.64612102E+03 EK= 0.50851E+02 SP= 0.51E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338742430711E+03 -0.20005E+00 -0.10889E-01 7424 0.237E+01 0.252E-01 RMM: 2 -0.338767277821E+03 -0.24847E-01 -0.86486E-02 4819 0.733E-01 0.159E+00 RMM: 3 -0.338749366461E+03 0.17911E-01 -0.12003E-02 5351 0.256E-01 0.198E-01 RMM: 4 -0.338749108795E+03 0.25767E-03 -0.11211E-03 4705 0.675E-02 0.970E-02 RMM: 5 -0.338749063430E+03 0.45364E-04 -0.12726E-04 3870 0.305E-02 0.807E-02 RMM: 6 -0.338749023894E+03 0.39536E-04 -0.30936E-05 2689 0.166E-02 0.421E-02 RMM: 7 -0.338749025873E+03 -0.19786E-05 -0.21245E-05 2529 0.144E-02 1934 T= 6186. E= 0.67470708E+03 F= 0.61751996E+03 E0= 0.64590327E+03 EK= 0.50377E+02 SP= 0.58E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338870491306E+03 -0.12147E+00 -0.10907E-01 7392 0.236E+01 0.180E-01 RMM: 2 -0.338880725728E+03 -0.10234E-01 -0.75533E-02 4694 0.682E-01 0.751E-01 RMM: 3 -0.338876863290E+03 0.38624E-02 -0.93471E-03 5667 0.193E-01 0.148E-01 RMM: 4 -0.338876749049E+03 0.11424E-03 -0.63502E-04 4626 0.598E-02 0.134E-01 RMM: 5 -0.338876650841E+03 0.98208E-04 -0.11160E-04 3640 0.289E-02 0.669E-02 RMM: 6 -0.338876623952E+03 0.26889E-04 -0.29821E-05 2827 0.170E-02 0.198E-02 RMM: 7 -0.338876631295E+03 -0.73437E-05 -0.13074E-05 2481 0.119E-02 1935 T= 6120. E= 0.67470732E+03 F= 0.61739236E+03 E0= 0.64576588E+03 EK= 0.49842E+02 SP= 0.65E+01 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338914227799E+03 -0.37604E-01 -0.10948E-01 7504 0.235E+01 0.158E-01 RMM: 2 -0.338925125221E+03 -0.10897E-01 -0.84505E-02 4797 0.716E-01 0.725E-01 RMM: 3 -0.338921539682E+03 0.35855E-02 -0.99704E-03 5837 0.188E-01 0.125E-01 RMM: 4 -0.338921360792E+03 0.17889E-03 -0.51228E-04 4588 0.553E-02 0.110E-01 RMM: 5 -0.338921278227E+03 0.82565E-04 -0.85927E-05 3544 0.270E-02 0.562E-02 RMM: 6 -0.338921261627E+03 0.16600E-04 -0.24454E-05 2543 0.146E-02 1936 T= 6047. E= 0.67470797E+03 F= 0.61734773E+03 E0= 0.64571026E+03 EK= 0.49245E+02 SP= 0.72E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338879095737E+03 0.42182E-01 -0.10375E-01 7496 0.233E+01 0.178E-01 RMM: 2 -0.338891732310E+03 -0.12637E-01 -0.79172E-02 4812 0.693E-01 0.928E-01 RMM: 3 -0.338885806135E+03 0.59262E-02 -0.95698E-03 5470 0.204E-01 0.139E-01 RMM: 4 -0.338885654934E+03 0.15120E-03 -0.64740E-04 4939 0.518E-02 0.764E-02 RMM: 5 -0.338885618161E+03 0.36773E-04 -0.76592E-05 3522 0.260E-02 0.599E-02 RMM: 6 -0.338885600621E+03 0.17540E-04 -0.24349E-05 2552 0.148E-02 1937 T= 5967. E= 0.67470946E+03 F= 0.61738339E+03 E0= 0.64573304E+03 EK= 0.48593E+02 SP= 0.79E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338773788888E+03 0.11183E+00 -0.10209E-01 7456 0.232E+01 0.313E-01 RMM: 2 -0.338800437391E+03 -0.26649E-01 -0.82028E-02 4858 0.733E-01 0.174E+00 RMM: 3 -0.338779786649E+03 0.20651E-01 -0.13018E-02 5335 0.278E-01 0.266E-01 RMM: 4 -0.338779301875E+03 0.48477E-03 -0.14101E-03 4711 0.762E-02 0.909E-02 RMM: 5 -0.338779315603E+03 -0.13728E-04 -0.17187E-04 3888 0.329E-02 1938 T= 5882. E= 0.67471293E+03 F= 0.61748967E+03 E0= 0.64582346E+03 EK= 0.47900E+02 SP= 0.85E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338612524209E+03 0.16678E+00 -0.10479E-01 7432 0.230E+01 0.180E-01 RMM: 2 -0.338627052876E+03 -0.14529E-01 -0.87331E-02 4855 0.710E-01 0.974E-01 RMM: 3 -0.338620160062E+03 0.68928E-02 -0.10510E-02 5417 0.219E-01 0.199E-01 RMM: 4 -0.338619892308E+03 0.26775E-03 -0.82650E-04 4730 0.593E-02 0.841E-02 RMM: 5 -0.338619860875E+03 0.31433E-04 -0.10956E-04 3814 0.286E-02 0.737E-02 RMM: 6 -0.338619827873E+03 0.33002E-04 -0.26485E-05 2565 0.151E-02 0.404E-02 RMM: 7 -0.338619835563E+03 -0.76906E-05 -0.25447E-05 2594 0.148E-02 1939 T= 5794. E= 0.67471671E+03 F= 0.61764915E+03 E0= 0.64596468E+03 EK= 0.47183E+02 SP= 0.91E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338425298855E+03 0.19453E+00 -0.95740E-02 7672 0.228E+01 0.225E-01 RMM: 2 -0.338437833274E+03 -0.12534E-01 -0.75863E-02 4732 0.699E-01 0.982E-01 RMM: 3 -0.338431304692E+03 0.65286E-02 -0.93997E-03 5414 0.211E-01 0.146E-01 RMM: 4 -0.338431264069E+03 0.40623E-04 -0.79181E-04 4685 0.600E-02 0.143E-01 RMM: 5 -0.338431166949E+03 0.97119E-04 -0.12422E-04 3803 0.290E-02 0.853E-02 RMM: 6 -0.338431119475E+03 0.47475E-04 -0.38960E-05 3053 0.187E-02 0.187E-02 RMM: 7 -0.338431125323E+03 -0.58486E-05 -0.11811E-05 2484 0.112E-02 1940 T= 5706. E= 0.67471953E+03 F= 0.61783786E+03 E0= 0.64613591E+03 EK= 0.46469E+02 SP= 0.97E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338231879315E+03 0.19924E+00 -0.93685E-02 7744 0.225E+01 0.150E-01 RMM: 2 -0.338242774585E+03 -0.10895E-01 -0.89296E-02 4793 0.744E-01 0.682E-01 RMM: 3 -0.338239766979E+03 0.30076E-02 -0.10313E-02 5837 0.186E-01 0.129E-01 RMM: 4 -0.338239564094E+03 0.20289E-03 -0.56176E-04 4565 0.603E-02 0.938E-02 RMM: 5 -0.338239498674E+03 0.65420E-04 -0.80993E-05 3548 0.265E-02 0.509E-02 RMM: 6 -0.338239486577E+03 0.12097E-04 -0.22104E-05 2531 0.135E-02 1941 T= 5622. E= 0.67472202E+03 F= 0.61802950E+03 E0= 0.64631232E+03 EK= 0.45786E+02 SP= 0.10E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338058965961E+03 0.18053E+00 -0.95634E-02 7576 0.223E+01 0.143E-01 RMM: 2 -0.338071432576E+03 -0.12467E-01 -0.95727E-02 4704 0.748E-01 0.742E-01 RMM: 3 -0.338067512710E+03 0.39199E-02 -0.11525E-02 5791 0.200E-01 0.135E-01 RMM: 4 -0.338067254987E+03 0.25772E-03 -0.55801E-04 5048 0.510E-02 0.579E-02 RMM: 5 -0.338067230686E+03 0.24301E-04 -0.65412E-05 3109 0.249E-02 0.528E-02 RMM: 6 -0.338067221505E+03 0.91806E-05 -0.23993E-05 2546 0.151E-02 1942 T= 5545. E= 0.67472396E+03 F= 0.61820177E+03 E0= 0.64647495E+03 EK= 0.45157E+02 SP= 0.11E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337925742701E+03 0.14149E+00 -0.87319E-02 7472 0.222E+01 0.305E-01 RMM: 2 -0.337951838968E+03 -0.26096E-01 -0.80694E-02 4770 0.722E-01 0.170E+00 RMM: 3 -0.337931824988E+03 0.20014E-01 -0.12729E-02 5348 0.273E-01 0.281E-01 RMM: 4 -0.337931279238E+03 0.54575E-03 -0.14610E-03 4772 0.785E-02 0.828E-02 RMM: 5 -0.337931298655E+03 -0.19417E-04 -0.17797E-04 3893 0.315E-02 1943 T= 5477. E= 0.67472604E+03 F= 0.61833769E+03 E0= 0.64660851E+03 EK= 0.44602E+02 SP= 0.11E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337836251997E+03 0.95027E-01 -0.84255E-02 7416 0.221E+01 0.209E-01 RMM: 2 -0.337851521233E+03 -0.15269E-01 -0.57601E-02 4986 0.579E-01 0.123E+00 RMM: 3 -0.337841019303E+03 0.10502E-01 -0.79059E-03 5356 0.209E-01 0.230E-01 RMM: 4 -0.337840663986E+03 0.35532E-03 -0.81783E-04 4656 0.594E-02 0.758E-02 RMM: 5 -0.337840640684E+03 0.23302E-04 -0.99239E-05 3764 0.271E-02 0.674E-02 RMM: 6 -0.337840611079E+03 0.29605E-04 -0.22736E-05 2560 0.144E-02 0.368E-02 RMM: 7 -0.337840613806E+03 -0.27273E-05 -0.16148E-05 2510 0.125E-02 1944 T= 5419. E= 0.67472742E+03 F= 0.61842838E+03 E0= 0.64670558E+03 EK= 0.44129E+02 SP= 0.12E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337786303423E+03 0.54308E-01 -0.90817E-02 7688 0.220E+01 0.188E-01 RMM: 2 -0.337798959371E+03 -0.12656E-01 -0.82391E-02 4677 0.711E-01 0.910E-01 RMM: 3 -0.337793327228E+03 0.56321E-02 -0.10120E-02 5583 0.205E-01 0.167E-01 RMM: 4 -0.337793097060E+03 0.23017E-03 -0.70901E-04 4836 0.562E-02 0.747E-02 RMM: 5 -0.337793092250E+03 0.48096E-05 -0.98594E-05 3685 0.265E-02 1945 T= 5371. E= 0.67472790E+03 F= 0.61847590E+03 E0= 0.64676974E+03 EK= 0.43736E+02 SP= 0.12E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337770423010E+03 0.22674E-01 -0.86334E-02 7600 0.220E+01 0.109E-01 RMM: 2 -0.337777989633E+03 -0.75666E-02 -0.63811E-02 5012 0.606E-01 0.521E-01 RMM: 3 -0.337776079523E+03 0.19101E-02 -0.68170E-03 5901 0.149E-01 0.100E-01 RMM: 4 -0.337775940167E+03 0.13936E-03 -0.31351E-04 4253 0.438E-02 0.717E-02 RMM: 5 -0.337775899762E+03 0.40405E-04 -0.42993E-05 3021 0.210E-02 0.450E-02 RMM: 6 -0.337775893394E+03 0.63679E-05 -0.17615E-05 2502 0.122E-02 1946 T= 5331. E= 0.67472795E+03 F= 0.61849310E+03 E0= 0.64681321E+03 EK= 0.43412E+02 SP= 0.13E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337765468740E+03 0.10431E-01 -0.89516E-02 7632 0.219E+01 0.168E-01 RMM: 2 -0.337777777932E+03 -0.12309E-01 -0.70631E-02 4765 0.640E-01 0.947E-01 RMM: 3 -0.337771601445E+03 0.61765E-02 -0.86773E-03 5549 0.189E-01 0.156E-01 RMM: 4 -0.337771378181E+03 0.22326E-03 -0.59918E-04 4681 0.522E-02 0.610E-02 RMM: 5 -0.337771359598E+03 0.18583E-04 -0.69780E-05 3490 0.229E-02 1947 T= 5297. E= 0.67472759E+03 F= 0.61849763E+03 E0= 0.64685381E+03 EK= 0.43139E+02 SP= 0.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337757250412E+03 0.14128E-01 -0.85532E-02 7600 0.219E+01 0.155E-01 RMM: 2 -0.337767481130E+03 -0.10231E-01 -0.63412E-02 4981 0.614E-01 0.843E-01 RMM: 3 -0.337762677210E+03 0.48039E-02 -0.72593E-03 5618 0.172E-01 0.165E-01 RMM: 4 -0.337762435952E+03 0.24126E-03 -0.51838E-04 4525 0.515E-02 0.671E-02 RMM: 5 -0.337762406156E+03 0.29796E-04 -0.65820E-05 3443 0.223E-02 0.537E-02 RMM: 6 -0.337762393118E+03 0.13038E-04 -0.17727E-05 2511 0.128E-02 1948 T= 5268. E= 0.67472787E+03 F= 0.61850660E+03 E0= 0.64690661E+03 EK= 0.42901E+02 SP= 0.13E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337733595829E+03 0.28810E-01 -0.85332E-02 7576 0.219E+01 0.187E-01 RMM: 2 -0.337746697212E+03 -0.13101E-01 -0.66389E-02 4885 0.629E-01 0.106E+00 RMM: 3 -0.337739172755E+03 0.75245E-02 -0.80627E-03 5482 0.191E-01 0.175E-01 RMM: 4 -0.337738925622E+03 0.24713E-03 -0.66658E-04 4676 0.546E-02 0.679E-02 RMM: 5 -0.337738907050E+03 0.18571E-04 -0.85095E-05 3676 0.239E-02 1949 T= 5242. E= 0.67472888E+03 F= 0.61853008E+03 E0= 0.64698017E+03 EK= 0.42688E+02 SP= 0.13E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337694749241E+03 0.44176E-01 -0.84077E-02 7576 0.219E+01 0.153E-01 RMM: 2 -0.337703760097E+03 -0.90109E-02 -0.60844E-02 5055 0.593E-01 0.746E-01 RMM: 3 -0.337700006740E+03 0.37534E-02 -0.68342E-03 5601 0.166E-01 0.159E-01 RMM: 4 -0.337699802151E+03 0.20459E-03 -0.47240E-04 4401 0.479E-02 0.772E-02 RMM: 5 -0.337699762866E+03 0.39285E-04 -0.63658E-05 3351 0.226E-02 0.586E-02 RMM: 6 -0.337699745687E+03 0.17179E-04 -0.23184E-05 2538 0.150E-02 1950 T= 5219. E= 0.67473046E+03 F= 0.61856924E+03 E0= 0.64707279E+03 EK= 0.42500E+02 SP= 0.14E+02 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337647758242E+03 0.52005E-01 -0.87558E-02 7608 0.219E+01 0.162E-01 RMM: 2 -0.337658535178E+03 -0.10777E-01 -0.64057E-02 4860 0.614E-01 0.878E-01 RMM: 3 -0.337653218089E+03 0.53171E-02 -0.75257E-03 5513 0.182E-01 0.157E-01 RMM: 4 -0.337653034756E+03 0.18333E-03 -0.55844E-04 4612 0.505E-02 0.668E-02 RMM: 5 -0.337653006893E+03 0.27863E-04 -0.70080E-05 3524 0.221E-02 0.548E-02 RMM: 6 -0.337652990476E+03 0.16417E-04 -0.18363E-05 2517 0.131E-02 1951 T= 5200. E= 0.67473218E+03 F= 0.61861600E+03 E0= 0.64717455E+03 EK= 0.42344E+02 SP= 0.14E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337609990834E+03 0.43016E-01 -0.87396E-02 7536 0.218E+01 0.244E-01 RMM: 2 -0.337630310022E+03 -0.20319E-01 -0.70079E-02 4942 0.662E-01 0.148E+00 RMM: 3 -0.337615450297E+03 0.14860E-01 -0.95878E-03 5400 0.228E-01 0.202E-01 RMM: 4 -0.337615144830E+03 0.30547E-03 -0.97470E-04 4672 0.638E-02 0.732E-02 RMM: 5 -0.337615129611E+03 0.15218E-04 -0.11589E-04 3882 0.267E-02 1952 T= 5187. E= 0.67473493E+03 F= 0.61865386E+03 E0= 0.64726600E+03 EK= 0.42239E+02 SP= 0.14E+02 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337603316005E+03 0.11829E-01 -0.86185E-02 7544 0.218E+01 0.113E-01 RMM: 2 -0.337610894958E+03 -0.75790E-02 -0.59330E-02 5015 0.576E-01 0.567E-01 RMM: 3 -0.337608590840E+03 0.23041E-02 -0.61974E-03 5668 0.152E-01 0.140E-01 RMM: 4 -0.337608419400E+03 0.17144E-03 -0.33516E-04 4311 0.412E-02 0.564E-02 RMM: 5 -0.337608390353E+03 0.29047E-04 -0.36978E-05 2812 0.183E-02 0.480E-02 RMM: 6 -0.337608384933E+03 0.54201E-05 -0.16603E-05 2490 0.123E-02 1953 T= 5183. E= 0.67473778E+03 F= 0.61866060E+03 E0= 0.64732376E+03 EK= 0.42205E+02 SP= 0.14E+02 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.337650784156E+03 -0.42394E-01 -0.88388E-02 7664 0.218E+01 0.240E-01 RMM: 2 -0.337666728244E+03 -0.15944E-01 -0.75989E-02 4781 0.689E-01 0.122E+00 RMM: 3 -0.337656829913E+03 0.98983E-02 -0.10018E-02 5424 0.226E-01 0.201E-01 RMM: 4 -0.337656544140E+03 0.28577E-03 -0.94181E-04 4742 0.620E-02 0.804E-02 RMM: 5 -0.337656542655E+03 0.14845E-05 -0.12338E-04 3828 0.278E-02 1954 T= 5190. E= 0.67474001E+03 F= 0.61861245E+03 E0= 0.64732078E+03 EK= 0.42265E+02 SP= 0.14E+02 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337773099172E+03 -0.11656E+00 -0.85040E-02 7584 0.218E+01 0.165E-01 RMM: 2 -0.337782918782E+03 -0.98196E-02 -0.57827E-02 5109 0.582E-01 0.851E-01 RMM: 3 -0.337777978237E+03 0.49405E-02 -0.64223E-03 5447 0.175E-01 0.172E-01 RMM: 4 -0.337777775047E+03 0.20319E-03 -0.54111E-04 4611 0.487E-02 0.768E-02 RMM: 5 -0.337777729917E+03 0.45130E-04 -0.64915E-05 3405 0.229E-02 0.533E-02 RMM: 6 -0.337777714560E+03 0.15357E-04 -0.18941E-05 2524 0.132E-02 1955 T= 5211. E= 0.67474158E+03 F= 0.61849127E+03 E0= 0.64723800E+03 EK= 0.42438E+02 SP= 0.14E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337973356113E+03 -0.19563E+00 -0.93506E-02 7528 0.218E+01 0.184E-01 RMM: 2 -0.337988813674E+03 -0.15458E-01 -0.78744E-02 4738 0.689E-01 0.113E+00 RMM: 3 -0.337980004715E+03 0.88090E-02 -0.94740E-03 5443 0.211E-01 0.167E-01 RMM: 4 -0.337979785195E+03 0.21952E-03 -0.76301E-04 4924 0.546E-02 0.523E-02 RMM: 5 -0.337979766586E+03 0.18609E-04 -0.78069E-05 3621 0.237E-02 1956 T= 5247. E= 0.67474188E+03 F= 0.61828922E+03 E0= 0.64706547E+03 EK= 0.42731E+02 SP= 0.14E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338252224966E+03 -0.27244E+00 -0.89380E-02 7592 0.219E+01 0.166E-01 RMM: 2 -0.338263507160E+03 -0.11282E-01 -0.58374E-02 5003 0.590E-01 0.959E-01 RMM: 3 -0.338257157680E+03 0.63495E-02 -0.68330E-03 5434 0.180E-01 0.182E-01 RMM: 4 -0.338256929613E+03 0.22807E-03 -0.59515E-04 4624 0.526E-02 0.657E-02 RMM: 5 -0.338256901327E+03 0.28286E-04 -0.69253E-05 3489 0.219E-02 0.571E-02 RMM: 6 -0.338256886971E+03 0.14356E-04 -0.21868E-05 2542 0.145E-02 1957 T= 5297. E= 0.67474111E+03 F= 0.61801210E+03 E0= 0.64680781E+03 EK= 0.43137E+02 SP= 0.14E+02 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338583061210E+03 -0.32616E+00 -0.94310E-02 7576 0.220E+01 0.197E-01 RMM: 2 -0.338598182758E+03 -0.15122E-01 -0.74927E-02 4815 0.661E-01 0.113E+00 RMM: 3 -0.338589347114E+03 0.88356E-02 -0.93404E-03 5446 0.209E-01 0.186E-01 RMM: 4 -0.338589087749E+03 0.25936E-03 -0.80663E-04 4681 0.586E-02 0.656E-02 RMM: 5 -0.338589077783E+03 0.99667E-05 -0.98293E-05 3858 0.246E-02 1958 T= 5358. E= 0.67473948E+03 F= 0.61767991E+03 E0= 0.64648436E+03 EK= 0.43636E+02 SP= 0.13E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338940974570E+03 -0.35189E+00 -0.93516E-02 7600 0.221E+01 0.174E-01 RMM: 2 -0.338953573998E+03 -0.12599E-01 -0.68307E-02 4946 0.630E-01 0.987E-01 RMM: 3 -0.338946842034E+03 0.67320E-02 -0.81887E-03 5475 0.193E-01 0.180E-01 RMM: 4 -0.338946592912E+03 0.24912E-03 -0.65089E-04 4638 0.542E-02 0.687E-02 RMM: 5 -0.338946564875E+03 0.28036E-04 -0.76613E-05 3596 0.236E-02 0.569E-02 RMM: 6 -0.338946551189E+03 0.13686E-04 -0.20599E-05 2529 0.137E-02 1959 T= 5428. E= 0.67473804E+03 F= 0.61732244E+03 E0= 0.64612465E+03 EK= 0.44200E+02 SP= 0.13E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339292323732E+03 -0.34576E+00 -0.97347E-02 7464 0.222E+01 0.156E-01 RMM: 2 -0.339304031550E+03 -0.11708E-01 -0.79191E-02 4838 0.664E-01 0.831E-01 RMM: 3 -0.339299255881E+03 0.47757E-02 -0.93024E-03 5625 0.191E-01 0.149E-01 RMM: 4 -0.339299024816E+03 0.23106E-03 -0.58472E-04 4691 0.516E-02 0.671E-02 RMM: 5 -0.339298995666E+03 0.29151E-04 -0.63228E-05 3331 0.221E-02 0.496E-02 RMM: 6 -0.339298987171E+03 0.84952E-05 -0.19302E-05 2507 0.136E-02 1960 T= 5501. E= 0.67473623E+03 F= 0.61697000E+03 E0= 0.64575971E+03 EK= 0.44795E+02 SP= 0.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339611115761E+03 -0.31212E+00 -0.99349E-02 7512 0.223E+01 0.257E-01 RMM: 2 -0.339631483712E+03 -0.20368E-01 -0.83867E-02 4901 0.701E-01 0.140E+00 RMM: 3 -0.339618046236E+03 0.13437E-01 -0.11584E-02 5412 0.244E-01 0.286E-01 RMM: 4 -0.339617424337E+03 0.62190E-03 -0.12325E-03 4710 0.745E-02 0.700E-02 RMM: 5 -0.339617416846E+03 0.74912E-05 -0.15338E-04 4001 0.290E-02 1961 T= 5574. E= 0.67473590E+03 F= 0.61665157E+03 E0= 0.64541886E+03 EK= 0.45393E+02 SP= 0.12E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339874620851E+03 -0.25720E+00 -0.10337E-01 7592 0.224E+01 0.165E-01 RMM: 2 -0.339890116854E+03 -0.15496E-01 -0.92940E-02 4986 0.693E-01 0.100E+00 RMM: 3 -0.339882797977E+03 0.73189E-02 -0.10598E-02 5575 0.202E-01 0.166E-01 RMM: 4 -0.339882510819E+03 0.28716E-03 -0.68418E-04 4735 0.554E-02 0.741E-02 RMM: 5 -0.339882475820E+03 0.34998E-04 -0.71725E-05 3490 0.231E-02 0.602E-02 RMM: 6 -0.339882464313E+03 0.11507E-04 -0.20791E-05 2520 0.140E-02 1962 T= 5645. E= 0.67473666E+03 F= 0.61638652E+03 E0= 0.64512450E+03 EK= 0.45974E+02 SP= 0.12E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340081033443E+03 -0.19856E+00 -0.10842E-01 7640 0.224E+01 0.258E-01 RMM: 2 -0.340102781840E+03 -0.21748E-01 -0.10184E-01 4796 0.749E-01 0.138E+00 RMM: 3 -0.340089472442E+03 0.13309E-01 -0.13730E-02 5416 0.260E-01 0.251E-01 RMM: 4 -0.340088983634E+03 0.48881E-03 -0.12625E-03 4866 0.707E-02 0.757E-02 RMM: 5 -0.340088974532E+03 0.91017E-05 -0.14839E-04 3927 0.305E-02 1963 T= 5714. E= 0.67473764E+03 F= 0.61618001E+03 E0= 0.64488284E+03 EK= 0.46528E+02 SP= 0.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340234383610E+03 -0.14540E+00 -0.10436E-01 7840 0.225E+01 0.234E-01 RMM: 2 -0.340254514939E+03 -0.20131E-01 -0.92779E-02 4934 0.709E-01 0.133E+00 RMM: 3 -0.340242109609E+03 0.12405E-01 -0.11590E-02 5432 0.240E-01 0.224E-01 RMM: 4 -0.340241721807E+03 0.38780E-03 -0.10360E-03 4783 0.652E-02 0.896E-02 RMM: 5 -0.340241674908E+03 0.46898E-04 -0.11042E-04 3909 0.281E-02 0.680E-02 RMM: 6 -0.340241653482E+03 0.21426E-04 -0.23560E-05 2557 0.142E-02 0.512E-02 RMM: 7 -0.340241663021E+03 -0.95389E-05 -0.30002E-05 2680 0.159E-02 1964 T= 5779. E= 0.67473894E+03 F= 0.61602733E+03 E0= 0.64469186E+03 EK= 0.47060E+02 SP= 0.11E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340343178890E+03 -0.10153E+00 -0.10861E-01 7896 0.225E+01 0.216E-01 RMM: 2 -0.340359215816E+03 -0.16037E-01 -0.10067E-01 4745 0.748E-01 0.104E+00 RMM: 3 -0.340351638095E+03 0.75777E-02 -0.11932E-02 5595 0.225E-01 0.171E-01 RMM: 4 -0.340351417677E+03 0.22042E-03 -0.87653E-04 4774 0.637E-02 0.117E-01 RMM: 5 -0.340351379883E+03 0.37794E-04 -0.14329E-04 3829 0.308E-02 0.943E-02 RMM: 6 -0.340351320786E+03 0.59097E-04 -0.43458E-05 3120 0.198E-02 0.201E-02 RMM: 7 -0.340351323291E+03 -0.25050E-05 -0.10795E-05 2485 0.105E-02 1965 T= 5842. E= 0.67473968E+03 F= 0.61591767E+03 E0= 0.64454333E+03 EK= 0.47577E+02 SP= 0.11E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340417164028E+03 -0.65843E-01 -0.10909E-01 7896 0.226E+01 0.180E-01 RMM: 2 -0.340430904432E+03 -0.13740E-01 -0.98950E-02 4887 0.737E-01 0.863E-01 RMM: 3 -0.340425660651E+03 0.52438E-02 -0.11295E-02 5774 0.211E-01 0.160E-01 RMM: 4 -0.340425364029E+03 0.29662E-03 -0.63715E-04 4843 0.547E-02 0.806E-02 RMM: 5 -0.340425313752E+03 0.50278E-04 -0.79418E-05 3574 0.251E-02 0.613E-02 RMM: 6 -0.340425295997E+03 0.17755E-04 -0.21416E-05 2533 0.138E-02 1966 T= 5905. E= 0.67473985E+03 F= 0.61584369E+03 E0= 0.64443177E+03 EK= 0.48085E+02 SP= 0.10E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340451934384E+03 -0.26621E-01 -0.10807E-01 7760 0.227E+01 0.175E-01 RMM: 2 -0.340466619589E+03 -0.14685E-01 -0.10637E-01 4828 0.745E-01 0.858E-01 RMM: 3 -0.340461274685E+03 0.53449E-02 -0.11941E-02 5743 0.212E-01 0.180E-01 RMM: 4 -0.340460917128E+03 0.35756E-03 -0.67581E-04 4803 0.563E-02 0.759E-02 RMM: 5 -0.340460886397E+03 0.30731E-04 -0.84930E-05 3633 0.250E-02 0.703E-02 RMM: 6 -0.340460862165E+03 0.24233E-04 -0.28988E-05 2604 0.161E-02 0.580E-02 RMM: 7 -0.340460905795E+03 -0.43630E-04 -0.85879E-05 3841 0.240E-02 0.107E-01 RMM: 8 -0.340460826302E+03 0.79493E-04 -0.58544E-05 3257 0.189E-02 0.299E-02 RMM: 9 -0.340460822449E+03 0.38528E-05 -0.12784E-05 2483 0.104E-02 1967 T= 5965. E= 0.67473877E+03 F= 0.61580817E+03 E0= 0.64436236E+03 EK= 0.48578E+02 SP= 0.98E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340436239589E+03 0.24587E-01 -0.10370E-01 7976 0.228E+01 0.248E-01 RMM: 2 -0.340452986893E+03 -0.16747E-01 -0.10207E-01 4856 0.741E-01 0.110E+00 RMM: 3 -0.340444310420E+03 0.86765E-02 -0.11614E-02 5605 0.226E-01 0.202E-01 RMM: 4 -0.340444110054E+03 0.20037E-03 -0.11411E-03 4729 0.766E-02 0.168E-01 RMM: 5 -0.340444024335E+03 0.85719E-04 -0.21181E-04 3885 0.363E-02 0.134E-01 RMM: 6 -0.340443903128E+03 0.12121E-03 -0.67166E-05 3448 0.246E-02 0.311E-02 RMM: 7 -0.340443905923E+03 -0.27952E-05 -0.18928E-05 2519 0.133E-02 1968 T= 6022. E= 0.67473714E+03 F= 0.61582508E+03 E0= 0.64434933E+03 EK= 0.49042E+02 SP= 0.93E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340343680136E+03 0.10022E+00 -0.10520E-01 8200 0.229E+01 0.170E-01 RMM: 2 -0.340356445657E+03 -0.12766E-01 -0.94402E-02 5022 0.693E-01 0.813E-01 RMM: 3 -0.340351585287E+03 0.48604E-02 -0.96009E-03 5817 0.195E-01 0.166E-01 RMM: 4 -0.340351300284E+03 0.28500E-03 -0.56798E-04 4813 0.502E-02 0.634E-02 RMM: 5 -0.340351272577E+03 0.27706E-04 -0.63058E-05 3349 0.219E-02 0.577E-02 RMM: 6 -0.340351261274E+03 0.11303E-04 -0.18520E-05 2517 0.130E-02 1969 T= 6073. E= 0.67473512E+03 F= 0.61591773E+03 E0= 0.64441642E+03 EK= 0.49452E+02 SP= 0.88E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340146952095E+03 0.20432E+00 -0.11250E-01 8136 0.231E+01 0.218E-01 RMM: 2 -0.340163863387E+03 -0.16911E-01 -0.10080E-01 4962 0.706E-01 0.110E+00 RMM: 3 -0.340155206346E+03 0.86570E-02 -0.10789E-02 5530 0.223E-01 0.206E-01 RMM: 4 -0.340154862189E+03 0.34416E-03 -0.90027E-04 4971 0.590E-02 0.787E-02 RMM: 5 -0.340154823330E+03 0.38860E-04 -0.86737E-05 3680 0.246E-02 0.678E-02 RMM: 6 -0.340154805212E+03 0.18118E-04 -0.19549E-05 2528 0.131E-02 1970 T= 6113. E= 0.67473382E+03 F= 0.61611418E+03 E0= 0.64459194E+03 EK= 0.49777E+02 SP= 0.82E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339825381175E+03 0.32944E+00 -0.11796E-01 8392 0.232E+01 0.337E-01 RMM: 2 -0.339857731033E+03 -0.32350E-01 -0.11684E-01 4897 0.796E-01 0.183E+00 RMM: 3 -0.339834597961E+03 0.23133E-01 -0.16713E-02 5377 0.303E-01 0.364E-01 RMM: 4 -0.339833604620E+03 0.99334E-03 -0.19095E-03 4938 0.908E-02 0.808E-02 RMM: 5 -0.339833590682E+03 0.13937E-04 -0.23979E-04 4592 0.300E-02 0.887E-02 RMM: 6 -0.339833543933E+03 0.46749E-04 -0.24197E-05 2590 0.152E-02 0.534E-02 RMM: 7 -0.339833547622E+03 -0.36886E-05 -0.24243E-05 2584 0.151E-02 1971 T= 6139. E= 0.67473371E+03 F= 0.61643544E+03 E0= 0.64489644E+03 EK= 0.49995E+02 SP= 0.76E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339368271859E+03 0.46527E+00 -0.11946E-01 8328 0.233E+01 0.311E-01 RMM: 2 -0.339397929057E+03 -0.29657E-01 -0.12623E-01 4809 0.804E-01 0.166E+00 RMM: 3 -0.339378568041E+03 0.19361E-01 -0.16186E-02 5395 0.288E-01 0.335E-01 RMM: 4 -0.339377782098E+03 0.78594E-03 -0.19225E-03 4983 0.922E-02 0.114E-01 RMM: 5 -0.339377871950E+03 -0.89853E-04 -0.30212E-04 3918 0.409E-02 0.162E-01 RMM: 6 -0.339377703371E+03 0.16858E-03 -0.92516E-05 3601 0.275E-02 0.439E-02 RMM: 7 -0.339377699707E+03 0.36634E-05 -0.21252E-05 2555 0.139E-02 1972 T= 6152. E= 0.67473455E+03 F= 0.61689129E+03 E0= 0.64534018E+03 EK= 0.50095E+02 SP= 0.70E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338777818641E+03 0.59988E+00 -0.12558E-01 8232 0.233E+01 0.265E-01 RMM: 2 -0.338803691593E+03 -0.25873E-01 -0.13508E-01 4908 0.829E-01 0.144E+00 RMM: 3 -0.338789015346E+03 0.14676E-01 -0.15721E-02 5521 0.267E-01 0.252E-01 RMM: 4 -0.338788494037E+03 0.52131E-03 -0.13630E-03 4902 0.749E-02 0.869E-02 RMM: 5 -0.338788459949E+03 0.34088E-04 -0.16697E-04 3957 0.307E-02 0.805E-02 RMM: 6 -0.338788419221E+03 0.40728E-04 -0.28816E-05 2699 0.162E-02 0.440E-02 RMM: 7 -0.338788417307E+03 0.19133E-05 -0.14997E-05 2500 0.123E-02 1973 T= 6149. E= 0.67473609E+03 F= 0.61748057E+03 E0= 0.64591991E+03 EK= 0.50075E+02 SP= 0.64E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338067212219E+03 0.72121E+00 -0.12550E-01 8296 0.233E+01 0.200E-01 RMM: 2 -0.338084873831E+03 -0.17662E-01 -0.12380E-01 4960 0.772E-01 0.974E-01 RMM: 3 -0.338077611227E+03 0.72626E-02 -0.12616E-02 5639 0.229E-01 0.172E-01 RMM: 4 -0.338077305100E+03 0.30613E-03 -0.88764E-04 5200 0.588E-02 0.807E-02 RMM: 5 -0.338077275329E+03 0.29771E-04 -0.10002E-04 3676 0.280E-02 0.699E-02 RMM: 6 -0.338077246853E+03 0.28477E-04 -0.25209E-05 2603 0.152E-02 0.383E-02 RMM: 7 -0.338077250002E+03 -0.31495E-05 -0.16756E-05 2505 0.129E-02 1974 T= 6133. E= 0.67473858E+03 F= 0.61819174E+03 E0= 0.64662560E+03 EK= 0.49945E+02 SP= 0.58E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337256303529E+03 0.82094E+00 -0.12870E-01 8336 0.233E+01 0.192E-01 RMM: 2 -0.337273135235E+03 -0.16832E-01 -0.12817E-01 5014 0.782E-01 0.880E-01 RMM: 3 -0.337267077233E+03 0.60580E-02 -0.12438E-02 5843 0.216E-01 0.172E-01 RMM: 4 -0.337266762035E+03 0.31520E-03 -0.77910E-04 4749 0.620E-02 0.108E-01 RMM: 5 -0.337266707170E+03 0.54865E-04 -0.12158E-04 3789 0.286E-02 0.780E-02 RMM: 6 -0.337266668238E+03 0.38932E-04 -0.29233E-05 2817 0.167E-02 0.348E-02 RMM: 7 -0.337266668286E+03 -0.47581E-07 -0.13888E-05 2493 0.114E-02 1975 T= 6107. E= 0.67474161E+03 F= 0.61900232E+03 E0= 0.64743281E+03 EK= 0.49728E+02 SP= 0.52E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336378381413E+03 0.88829E+00 -0.12801E-01 8496 0.233E+01 0.187E-01 RMM: 2 -0.336394633952E+03 -0.16253E-01 -0.12085E-01 5055 0.756E-01 0.887E-01 RMM: 3 -0.336388452163E+03 0.61818E-02 -0.11129E-02 5803 0.213E-01 0.162E-01 RMM: 4 -0.336388185702E+03 0.26646E-03 -0.69706E-04 4852 0.562E-02 0.904E-02 RMM: 5 -0.336388146675E+03 0.39026E-04 -0.95309E-05 3644 0.265E-02 0.700E-02 RMM: 6 -0.336388118901E+03 0.27774E-04 -0.26426E-05 2629 0.158E-02 0.387E-02 RMM: 7 -0.336388122873E+03 -0.39721E-05 -0.16903E-05 2514 0.124E-02 1976 T= 6073. E= 0.67474519E+03 F= 0.61988087E+03 E0= 0.64831066E+03 EK= 0.49455E+02 SP= 0.46E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335475715963E+03 0.91240E+00 -0.12540E-01 8784 0.232E+01 0.184E-01 RMM: 2 -0.335490484847E+03 -0.14769E-01 -0.11452E-01 5250 0.722E-01 0.811E-01 RMM: 3 -0.335485058035E+03 0.54268E-02 -0.96952E-03 5888 0.194E-01 0.171E-01 RMM: 4 -0.335484785460E+03 0.27258E-03 -0.65898E-04 4690 0.566E-02 0.974E-02 RMM: 5 -0.335484743787E+03 0.41673E-04 -0.10224E-04 3692 0.267E-02 0.740E-02 RMM: 6 -0.335484709707E+03 0.34080E-04 -0.25744E-05 2698 0.159E-02 0.334E-02 RMM: 7 -0.335484710172E+03 -0.46521E-06 -0.12709E-05 2486 0.108E-02 1977 T= 6038. E= 0.67474914E+03 F= 0.62078428E+03 E0= 0.64921571E+03 EK= 0.49170E+02 SP= 0.39E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334599662913E+03 0.88505E+00 -0.12491E-01 8688 0.231E+01 0.178E-01 RMM: 2 -0.334614663692E+03 -0.15001E-01 -0.11615E-01 5183 0.728E-01 0.814E-01 RMM: 3 -0.334609262085E+03 0.54016E-02 -0.99973E-03 5877 0.199E-01 0.159E-01 RMM: 4 -0.334609014755E+03 0.24733E-03 -0.62637E-04 4717 0.541E-02 0.941E-02 RMM: 5 -0.334608969106E+03 0.45649E-04 -0.89839E-05 3588 0.258E-02 0.700E-02 RMM: 6 -0.334608940128E+03 0.28978E-04 -0.26069E-05 2649 0.158E-02 0.377E-02 RMM: 7 -0.334608941205E+03 -0.10766E-05 -0.16817E-05 2505 0.122E-02 1978 T= 6008. E= 0.67475355E+03 F= 0.62166005E+03 E0= 0.65009578E+03 EK= 0.48925E+02 SP= 0.32E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333810048000E+03 0.79889E+00 -0.11873E-01 8896 0.231E+01 0.184E-01 RMM: 2 -0.333824282426E+03 -0.14234E-01 -0.10920E-01 5221 0.709E-01 0.809E-01 RMM: 3 -0.333818879282E+03 0.54031E-02 -0.91268E-03 5803 0.196E-01 0.170E-01 RMM: 4 -0.333818634093E+03 0.24519E-03 -0.63745E-04 4727 0.544E-02 0.900E-02 RMM: 5 -0.333818599445E+03 0.34648E-04 -0.93633E-05 3631 0.257E-02 0.759E-02 RMM: 6 -0.333818563874E+03 0.35572E-04 -0.25827E-05 2686 0.158E-02 0.355E-02 RMM: 7 -0.333818564551E+03 -0.67685E-06 -0.14209E-05 2489 0.115E-02 1979 T= 5990. E= 0.67475790E+03 F= 0.62245042E+03 E0= 0.65089322E+03 EK= 0.48781E+02 SP= 0.25E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333163138110E+03 0.65543E+00 -0.11509E-01 8712 0.230E+01 0.177E-01 RMM: 2 -0.333177155651E+03 -0.14018E-01 -0.11017E-01 5258 0.714E-01 0.783E-01 RMM: 3 -0.333172120442E+03 0.50352E-02 -0.91261E-03 5907 0.192E-01 0.168E-01 RMM: 4 -0.333171864778E+03 0.25566E-03 -0.59734E-04 4692 0.535E-02 0.901E-02 RMM: 5 -0.333171822538E+03 0.42241E-04 -0.85238E-05 3568 0.246E-02 0.731E-02 RMM: 6 -0.333171791733E+03 0.30804E-04 -0.25580E-05 2638 0.159E-02 0.385E-02 RMM: 7 -0.333171792486E+03 -0.75251E-06 -0.18451E-05 2510 0.128E-02 1980 T= 5992. E= 0.67476168E+03 F= 0.62309720E+03 E0= 0.65154995E+03 EK= 0.48796E+02 SP= 0.18E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332711362655E+03 0.46043E+00 -0.10986E-01 8688 0.230E+01 0.185E-01 RMM: 2 -0.332725291996E+03 -0.13929E-01 -0.10831E-01 5221 0.716E-01 0.803E-01 RMM: 3 -0.332720143458E+03 0.51485E-02 -0.95490E-03 5905 0.195E-01 0.160E-01 RMM: 4 -0.332719897186E+03 0.24627E-03 -0.61019E-04 4764 0.527E-02 0.889E-02 RMM: 5 -0.332719859788E+03 0.37398E-04 -0.84132E-05 3563 0.245E-02 0.758E-02 RMM: 6 -0.332719825609E+03 0.34179E-04 -0.25078E-05 2618 0.156E-02 0.379E-02 RMM: 7 -0.332719825821E+03 -0.21241E-06 -0.17751E-05 2506 0.127E-02 1981 T= 6020. E= 0.67476369E+03 F= 0.62354916E+03 E0= 0.65201484E+03 EK= 0.49025E+02 SP= 0.11E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332486670806E+03 0.23315E+00 -0.10854E-01 8536 0.231E+01 0.173E-01 RMM: 2 -0.332499535782E+03 -0.12865E-01 -0.10384E-01 5311 0.700E-01 0.739E-01 RMM: 3 -0.332495057680E+03 0.44781E-02 -0.87217E-03 5995 0.184E-01 0.163E-01 RMM: 4 -0.332494807901E+03 0.24978E-03 -0.54253E-04 4611 0.512E-02 0.868E-02 RMM: 5 -0.332494764393E+03 0.43508E-04 -0.75816E-05 3500 0.231E-02 0.734E-02 RMM: 6 -0.332494735545E+03 0.28849E-04 -0.23859E-05 2579 0.155E-02 0.403E-02 RMM: 7 -0.332494734019E+03 0.15253E-05 -0.20864E-05 2536 0.134E-02 1982 T= 6079. E= 0.67476414E+03 F= 0.62377426E+03 E0= 0.65225543E+03 EK= 0.49501E+02 SP= 0.33E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332498142214E+03 -0.34067E-02 -0.10875E-01 8448 0.232E+01 0.183E-01 RMM: 2 -0.332510529523E+03 -0.12387E-01 -0.96185E-02 5271 0.693E-01 0.790E-01 RMM: 3 -0.332505891945E+03 0.46376E-02 -0.86736E-03 5975 0.187E-01 0.160E-01 RMM: 4 -0.332505643845E+03 0.24810E-03 -0.54934E-04 4626 0.508E-02 0.891E-02 RMM: 5 -0.332505600903E+03 0.42942E-04 -0.77568E-05 3528 0.238E-02 0.743E-02 RMM: 6 -0.332505570017E+03 0.30886E-04 -0.23417E-05 2592 0.151E-02 0.401E-02 RMM: 7 -0.332505568276E+03 0.17407E-05 -0.19206E-05 2514 0.131E-02 1983 T= 6169. E= 0.67476269E+03 F= 0.62376342E+03 E0= 0.65226251E+03 EK= 0.50234E+02 SP= -.44E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332726638605E+03 -0.22107E+00 -0.10985E-01 8160 0.234E+01 0.170E-01 RMM: 2 -0.332738523939E+03 -0.11885E-01 -0.98434E-02 5261 0.703E-01 0.707E-01 RMM: 3 -0.332734624698E+03 0.38992E-02 -0.88852E-03 6014 0.184E-01 0.144E-01 RMM: 4 -0.332734414021E+03 0.21068E-03 -0.52547E-04 4559 0.504E-02 0.983E-02 RMM: 5 -0.332734351144E+03 0.62877E-04 -0.73798E-05 3489 0.230E-02 0.707E-02 RMM: 6 -0.332734327012E+03 0.24132E-04 -0.22266E-05 2560 0.147E-02 0.424E-02 RMM: 7 -0.332734323004E+03 0.40078E-05 -0.20805E-05 2557 0.132E-02 1984 T= 6288. E= 0.67475943E+03 F= 0.62353467E+03 E0= 0.65205368E+03 EK= 0.51208E+02 SP= -.12E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333127853673E+03 -0.39353E+00 -0.10970E-01 8152 0.236E+01 0.183E-01 RMM: 2 -0.333140425615E+03 -0.12572E-01 -0.99067E-02 5237 0.721E-01 0.795E-01 RMM: 3 -0.333135975001E+03 0.44506E-02 -0.94551E-03 5996 0.191E-01 0.167E-01 RMM: 4 -0.333135683583E+03 0.29142E-03 -0.56703E-04 4665 0.531E-02 0.941E-02 RMM: 5 -0.333135630816E+03 0.52768E-04 -0.85278E-05 3594 0.248E-02 0.728E-02 RMM: 6 -0.333135603997E+03 0.26819E-04 -0.22732E-05 2580 0.147E-02 0.436E-02 RMM: 7 -0.333135601132E+03 0.28647E-05 -0.19813E-05 2527 0.132E-02 1985 T= 6432. E= 0.67475513E+03 F= 0.62313339E+03 E0= 0.65167407E+03 EK= 0.52378E+02 SP= -.20E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333635987981E+03 -0.50038E+00 -0.10836E-01 7976 0.239E+01 0.176E-01 RMM: 2 -0.333648336861E+03 -0.12349E-01 -0.10149E-01 5245 0.731E-01 0.735E-01 RMM: 3 -0.333644262574E+03 0.40743E-02 -0.94198E-03 6015 0.189E-01 0.137E-01 RMM: 4 -0.333644062191E+03 0.20038E-03 -0.53638E-04 4626 0.525E-02 0.116E-01 RMM: 5 -0.333643975221E+03 0.86970E-04 -0.88628E-05 3610 0.256E-02 0.667E-02 RMM: 6 -0.333643955332E+03 0.19889E-04 -0.22871E-05 2565 0.145E-02 1986 T= 6591. E= 0.67474990E+03 F= 0.62262503E+03 E0= 0.65118876E+03 EK= 0.53674E+02 SP= -.28E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334175146816E+03 -0.53117E+00 -0.11010E-01 7864 0.241E+01 0.194E-01 RMM: 2 -0.334190442425E+03 -0.15296E-01 -0.10693E-01 5296 0.748E-01 0.950E-01 RMM: 3 -0.334183950623E+03 0.64918E-02 -0.95895E-03 5809 0.201E-01 0.204E-01 RMM: 4 -0.334183614957E+03 0.33567E-03 -0.68364E-04 4703 0.563E-02 0.911E-02 RMM: 5 -0.334183557139E+03 0.57818E-04 -0.92427E-05 3684 0.251E-02 0.717E-02 RMM: 6 -0.334183534817E+03 0.22322E-04 -0.22938E-05 2571 0.145E-02 0.566E-02 RMM: 7 -0.334183530629E+03 0.41886E-05 -0.38808E-05 2795 0.184E-02 1987 T= 6756. E= 0.67474429E+03 F= 0.62208546E+03 E0= 0.65067297E+03 EK= 0.55018E+02 SP= -.36E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334672990881E+03 -0.48946E+00 -0.10925E-01 7792 0.244E+01 0.252E-01 RMM: 2 -0.334691015552E+03 -0.18025E-01 -0.10639E-01 5243 0.787E-01 0.120E+00 RMM: 3 -0.334681435229E+03 0.95803E-02 -0.10998E-02 5726 0.223E-01 0.233E-01 RMM: 4 -0.334681024520E+03 0.41071E-03 -0.10371E-03 4665 0.729E-02 0.122E-01 RMM: 5 -0.334680967722E+03 0.56798E-04 -0.16051E-04 3854 0.322E-02 0.992E-02 RMM: 6 -0.334680905277E+03 0.62445E-04 -0.38392E-05 3006 0.195E-02 0.350E-02 RMM: 7 -0.334680906292E+03 -0.10153E-05 -0.17635E-05 2502 0.129E-02 1988 T= 6917. E= 0.67473967E+03 F= 0.62158808E+03 E0= 0.65019992E+03 EK= 0.56330E+02 SP= -.44E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335064090764E+03 -0.38319E+00 -0.11225E-01 7808 0.247E+01 0.195E-01 RMM: 2 -0.335080343036E+03 -0.16252E-01 -0.12263E-01 5133 0.822E-01 0.909E-01 RMM: 3 -0.335074563133E+03 0.57799E-02 -0.12429E-02 5931 0.215E-01 0.163E-01 RMM: 4 -0.335074252364E+03 0.31077E-03 -0.67373E-04 4710 0.599E-02 0.119E-01 RMM: 5 -0.335074155644E+03 0.96720E-04 -0.11187E-04 3751 0.287E-02 0.709E-02 RMM: 6 -0.335074132919E+03 0.22725E-04 -0.27143E-05 2636 0.156E-02 0.519E-02 RMM: 7 -0.335074124273E+03 0.86456E-05 -0.24895E-05 2549 0.149E-02 1989 T= 7066. E= 0.67473679E+03 F= 0.62119487E+03 E0= 0.64982845E+03 EK= 0.57540E+02 SP= -.51E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335307497493E+03 -0.23336E+00 -0.11517E-01 7824 0.249E+01 0.188E-01 RMM: 2 -0.335322045482E+03 -0.14548E-01 -0.11682E-01 5150 0.817E-01 0.818E-01 RMM: 3 -0.335317425789E+03 0.46197E-02 -0.11690E-02 5971 0.208E-01 0.153E-01 RMM: 4 -0.335317134915E+03 0.29087E-03 -0.60494E-04 4767 0.574E-02 0.114E-01 RMM: 5 -0.335317057102E+03 0.77814E-04 -0.96663E-05 3684 0.281E-02 0.686E-02 RMM: 6 -0.335317035015E+03 0.22087E-04 -0.24662E-05 2560 0.151E-02 0.458E-02 RMM: 7 -0.335317032361E+03 0.26536E-05 -0.22839E-05 2527 0.144E-02 1990 T= 7195. E= 0.67473504E+03 F= 0.62095196E+03 E0= 0.64960415E+03 EK= 0.58594E+02 SP= -.59E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335370359541E+03 -0.53325E-01 -0.11888E-01 7736 0.250E+01 0.188E-01 RMM: 2 -0.335385378115E+03 -0.15019E-01 -0.12782E-01 5014 0.861E-01 0.753E-01 RMM: 3 -0.335381481234E+03 0.38969E-02 -0.13603E-02 6037 0.219E-01 0.153E-01 RMM: 4 -0.335381186834E+03 0.29440E-03 -0.67630E-04 4670 0.647E-02 0.141E-01 RMM: 5 -0.335381051017E+03 0.13582E-03 -0.12614E-04 3804 0.321E-02 0.638E-02 RMM: 6 -0.335381033211E+03 0.17806E-04 -0.26506E-05 2631 0.155E-02 1991 T= 7301. E= 0.67473506E+03 F= 0.62088796E+03 E0= 0.64955270E+03 EK= 0.59455E+02 SP= -.66E+01 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335245083427E+03 0.13597E+00 -0.11749E-01 7712 0.251E+01 0.203E-01 RMM: 2 -0.335263065025E+03 -0.17982E-01 -0.11698E-01 5207 0.809E-01 0.108E+00 RMM: 3 -0.335254968360E+03 0.80967E-02 -0.10984E-02 5705 0.219E-01 0.198E-01 RMM: 4 -0.335254646292E+03 0.32207E-03 -0.73810E-04 4733 0.601E-02 0.970E-02 RMM: 5 -0.335254576386E+03 0.69906E-04 -0.10015E-04 3737 0.270E-02 0.738E-02 RMM: 6 -0.335254555613E+03 0.20773E-04 -0.27188E-05 2606 0.158E-02 0.615E-02 RMM: 7 -0.335254548756E+03 0.68562E-05 -0.57003E-05 3357 0.211E-02 1992 T= 7380. E= 0.67473602E+03 F= 0.62101444E+03 E0= 0.64968515E+03 EK= 0.60102E+02 SP= -.73E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334931056541E+03 0.32350E+00 -0.12070E-01 7512 0.252E+01 0.241E-01 RMM: 2 -0.334948658050E+03 -0.17602E-01 -0.12784E-01 4981 0.883E-01 0.101E+00 RMM: 3 -0.334941839939E+03 0.68181E-02 -0.14659E-02 5757 0.256E-01 0.235E-01 RMM: 4 -0.334941428627E+03 0.41131E-03 -0.10472E-03 4791 0.742E-02 0.131E-01 RMM: 5 -0.334941330940E+03 0.97687E-04 -0.15990E-04 3890 0.327E-02 0.884E-02 RMM: 6 -0.334941286175E+03 0.44765E-04 -0.37131E-05 2973 0.188E-02 0.387E-02 RMM: 7 -0.334941286274E+03 -0.98995E-07 -0.17951E-05 2511 0.132E-02 1993 T= 7433. E= 0.67473837E+03 F= 0.62132770E+03 E0= 0.64999672E+03 EK= 0.60532E+02 SP= -.79E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334450990364E+03 0.49030E+00 -0.12178E-01 7800 0.252E+01 0.192E-01 RMM: 2 -0.334469022928E+03 -0.18033E-01 -0.13126E-01 5078 0.854E-01 0.961E-01 RMM: 3 -0.334462200177E+03 0.68228E-02 -0.13207E-02 5775 0.239E-01 0.163E-01 RMM: 4 -0.334461990243E+03 0.20993E-03 -0.74657E-04 4727 0.628E-02 0.121E-01 RMM: 5 -0.334461884444E+03 0.10580E-03 -0.11327E-04 3745 0.297E-02 0.737E-02 RMM: 6 -0.334461862165E+03 0.22279E-04 -0.30929E-05 2706 0.169E-02 0.579E-02 RMM: 7 -0.334461853337E+03 0.88284E-05 -0.27379E-05 2564 0.156E-02 1994 T= 7461. E= 0.67474134E+03 F= 0.62180714E+03 E0= 0.65046630E+03 EK= 0.60759E+02 SP= -.85E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333834042539E+03 0.62782E+00 -0.12360E-01 7768 0.252E+01 0.193E-01 RMM: 2 -0.333850804343E+03 -0.16762E-01 -0.13893E-01 4875 0.901E-01 0.795E-01 RMM: 3 -0.333846158174E+03 0.46462E-02 -0.16123E-02 5967 0.261E-01 0.147E-01 RMM: 4 -0.333845913812E+03 0.24436E-03 -0.73556E-04 4843 0.620E-02 0.117E-01 RMM: 5 -0.333845827127E+03 0.86685E-04 -0.10666E-04 3741 0.312E-02 0.708E-02 RMM: 6 -0.333845807063E+03 0.20064E-04 -0.28602E-05 2578 0.161E-02 0.533E-02 RMM: 7 -0.333845800781E+03 0.62824E-05 -0.28534E-05 2595 0.162E-02 1995 T= 7467. E= 0.67474400E+03 F= 0.62242319E+03 E0= 0.65106469E+03 EK= 0.60809E+02 SP= -.91E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333112490853E+03 0.73332E+00 -0.13439E-01 7896 0.252E+01 0.171E-01 RMM: 2 -0.333130372270E+03 -0.17881E-01 -0.15613E-01 4906 0.942E-01 0.704E-01 RMM: 3 -0.333126347868E+03 0.40244E-02 -0.17144E-02 5909 0.264E-01 0.146E-01 RMM: 4 -0.333126139881E+03 0.20799E-03 -0.80942E-04 4764 0.686E-02 0.136E-01 RMM: 5 -0.333126015116E+03 0.12477E-03 -0.13102E-04 3821 0.335E-02 0.707E-02 RMM: 6 -0.333125994304E+03 0.20812E-04 -0.31689E-05 2659 0.165E-02 0.500E-02 RMM: 7 -0.333125987031E+03 0.72726E-05 -0.22558E-05 2535 0.147E-02 1996 T= 7456. E= 0.67474714E+03 F= 0.62314300E+03 E0= 0.65175948E+03 EK= 0.60713E+02 SP= -.97E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332322293586E+03 0.80370E+00 -0.13820E-01 7976 0.252E+01 0.180E-01 RMM: 2 -0.332340940136E+03 -0.18647E-01 -0.15974E-01 4991 0.948E-01 0.753E-01 RMM: 3 -0.332336343347E+03 0.45968E-02 -0.17573E-02 5941 0.268E-01 0.159E-01 RMM: 4 -0.332336052821E+03 0.29053E-03 -0.77749E-04 4818 0.647E-02 0.109E-01 RMM: 5 -0.332335980829E+03 0.71992E-04 -0.11491E-04 3759 0.317E-02 0.767E-02 RMM: 6 -0.332335955183E+03 0.25647E-04 -0.31812E-05 2661 0.171E-02 0.541E-02 RMM: 7 -0.332335946486E+03 0.86964E-05 -0.34446E-05 2663 0.171E-02 1997 T= 7430. E= 0.67474985E+03 F= 0.62393304E+03 E0= 0.65251717E+03 EK= 0.60503E+02 SP= -.10E+02 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331488441548E+03 0.84751E+00 -0.14419E-01 8304 0.252E+01 0.173E-01 RMM: 2 -0.331507286843E+03 -0.18845E-01 -0.16112E-01 5064 0.937E-01 0.743E-01 RMM: 3 -0.331502647676E+03 0.46392E-02 -0.17292E-02 5953 0.261E-01 0.144E-01 RMM: 4 -0.331502429796E+03 0.21788E-03 -0.82577E-04 4753 0.686E-02 0.127E-01 RMM: 5 -0.331502323666E+03 0.10613E-03 -0.13341E-04 3797 0.331E-02 0.607E-02 RMM: 6 -0.331502310313E+03 0.13353E-04 -0.26633E-05 2589 0.153E-02 1998 T= 7393. E= 0.67475187E+03 F= 0.62476668E+03 E0= 0.65331330E+03 EK= 0.60206E+02 SP= -.11E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330628026161E+03 0.87430E+00 -0.14811E-01 8592 0.252E+01 0.187E-01 RMM: 2 -0.330647900582E+03 -0.19874E-01 -0.15359E-01 5301 0.886E-01 0.903E-01 RMM: 3 -0.330641125913E+03 0.67747E-02 -0.14058E-02 5627 0.253E-01 0.201E-01 RMM: 4 -0.330640806794E+03 0.31912E-03 -0.84158E-04 4786 0.644E-02 0.958E-02 RMM: 5 -0.330640750311E+03 0.56483E-04 -0.11061E-04 3851 0.288E-02 0.763E-02 RMM: 6 -0.330640726432E+03 0.23879E-04 -0.29028E-05 2638 0.165E-02 0.588E-02 RMM: 7 -0.330640729279E+03 -0.28463E-05 -0.31470E-05 2632 0.169E-02 1999 T= 7348. E= 0.67475345E+03 F= 0.62562826E+03 E0= 0.65413301E+03 EK= 0.59839E+02 SP= -.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329745933826E+03 0.89479E+00 -0.15250E-01 8264 0.252E+01 0.233E-01 RMM: 2 -0.329768073505E+03 -0.22140E-01 -0.15016E-01 5146 0.876E-01 0.112E+00 RMM: 3 -0.329758237916E+03 0.98356E-02 -0.14375E-02 5671 0.259E-01 0.202E-01 RMM: 4 -0.329758022858E+03 0.21506E-03 -0.11007E-03 4812 0.754E-02 0.147E-01 RMM: 5 -0.329757929700E+03 0.93158E-04 -0.17631E-04 3860 0.348E-02 0.977E-02 RMM: 6 -0.329757871794E+03 0.57906E-04 -0.39696E-05 3023 0.195E-02 0.328E-02 RMM: 7 -0.329757874406E+03 -0.26120E-05 -0.15838E-05 2500 0.126E-02 2000 T= 7295. E= 0.67475465E+03 F= 0.62651111E+03 E0= 0.65497179E+03 EK= 0.59410E+02 SP= -.11E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328841629127E+03 0.91624E+00 -0.16054E-01 8520 0.252E+01 0.198E-01 RMM: 2 -0.328862096959E+03 -0.20468E-01 -0.16289E-01 5561 0.867E-01 0.885E-01 RMM: 3 -0.328854856700E+03 0.72403E-02 -0.11730E-02 5756 0.227E-01 0.173E-01 RMM: 4 -0.328854624735E+03 0.23197E-03 -0.79508E-04 4769 0.629E-02 0.120E-01 RMM: 5 -0.328854532827E+03 0.91908E-04 -0.11973E-04 3814 0.290E-02 0.802E-02 RMM: 6 -0.328854498853E+03 0.33974E-04 -0.32751E-05 2871 0.178E-02 0.455E-02 RMM: 7 -0.328854499927E+03 -0.10739E-05 -0.22277E-05 2539 0.136E-02 2001 T= 7236. E= 0.67475516E+03 F= 0.62741449E+03 E0= 0.65583220E+03 EK= 0.58922E+02 SP= -.12E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327910794645E+03 0.94370E+00 -0.16731E-01 8528 0.251E+01 0.200E-01 RMM: 2 -0.327931208908E+03 -0.20414E-01 -0.16827E-01 5480 0.884E-01 0.845E-01 RMM: 3 -0.327924725524E+03 0.64834E-02 -0.12876E-02 5921 0.229E-01 0.177E-01 RMM: 4 -0.327924433212E+03 0.29231E-03 -0.75769E-04 4784 0.614E-02 0.110E-01 RMM: 5 -0.327924371640E+03 0.61572E-04 -0.10742E-04 3707 0.283E-02 0.767E-02 RMM: 6 -0.327924341721E+03 0.29919E-04 -0.27052E-05 2654 0.161E-02 0.400E-02 RMM: 7 -0.327924345071E+03 -0.33497E-05 -0.18307E-05 2511 0.130E-02 2002 T= 7168. E= 0.67475573E+03 F= 0.62834464E+03 E0= 0.65672302E+03 EK= 0.58373E+02 SP= -.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326948462571E+03 0.97588E+00 -0.17473E-01 8712 0.251E+01 0.190E-01 RMM: 2 -0.326968333070E+03 -0.19870E-01 -0.17598E-01 5376 0.900E-01 0.728E-01 RMM: 3 -0.326963060923E+03 0.52721E-02 -0.13421E-02 6136 0.227E-01 0.146E-01 RMM: 4 -0.326962838627E+03 0.22230E-03 -0.74604E-04 4747 0.636E-02 0.142E-01 RMM: 5 -0.326962712604E+03 0.12602E-03 -0.13430E-04 3862 0.319E-02 0.707E-02 RMM: 6 -0.326962684649E+03 0.27954E-04 -0.29591E-05 2777 0.168E-02 0.372E-02 RMM: 7 -0.326962684432E+03 0.21784E-06 -0.21094E-05 2514 0.139E-02 2003 T= 7093. E= 0.67475640E+03 F= 0.62930630E+03 E0= 0.65765240E+03 EK= 0.57761E+02 SP= -.12E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325954951655E+03 0.10077E+01 -0.17913E-01 8904 0.250E+01 0.207E-01 RMM: 2 -0.325976014476E+03 -0.21063E-01 -0.16838E-01 5279 0.896E-01 0.920E-01 RMM: 3 -0.325969023070E+03 0.69914E-02 -0.13570E-02 5997 0.236E-01 0.188E-01 RMM: 4 -0.325968680217E+03 0.34285E-03 -0.79311E-04 4783 0.631E-02 0.108E-01 RMM: 5 -0.325968618173E+03 0.62044E-04 -0.12176E-04 3806 0.294E-02 0.825E-02 RMM: 6 -0.325968582817E+03 0.35356E-04 -0.33883E-05 2911 0.178E-02 0.446E-02 RMM: 7 -0.325968586013E+03 -0.31966E-05 -0.23847E-05 2548 0.146E-02 2004 T= 7010. E= 0.67475756E+03 F= 0.63030040E+03 E0= 0.65862265E+03 EK= 0.57088E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324933457208E+03 0.10351E+01 -0.17834E-01 8832 0.249E+01 0.201E-01 RMM: 2 -0.324953147602E+03 -0.19690E-01 -0.16523E-01 5405 0.876E-01 0.829E-01 RMM: 3 -0.324947112502E+03 0.60351E-02 -0.12170E-02 6101 0.222E-01 0.162E-01 RMM: 4 -0.324946871739E+03 0.24076E-03 -0.72435E-04 4755 0.607E-02 0.125E-01 RMM: 5 -0.324946778697E+03 0.93042E-04 -0.11754E-04 3751 0.288E-02 0.750E-02 RMM: 6 -0.324946748668E+03 0.30029E-04 -0.28528E-05 2738 0.166E-02 0.379E-02 RMM: 7 -0.324946751488E+03 -0.28205E-05 -0.19843E-05 2519 0.133E-02 2005 T= 6921. E= 0.67475969E+03 F= 0.63132224E+03 E0= 0.65963110E+03 EK= 0.56364E+02 SP= -.13E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323900263823E+03 0.10465E+01 -0.17297E-01 8912 0.247E+01 0.210E-01 RMM: 2 -0.323920064535E+03 -0.19801E-01 -0.15960E-01 5319 0.869E-01 0.896E-01 RMM: 3 -0.323913481365E+03 0.65832E-02 -0.12407E-02 6102 0.222E-01 0.175E-01 RMM: 4 -0.323913195682E+03 0.28568E-03 -0.74449E-04 4766 0.620E-02 0.127E-01 RMM: 5 -0.323913106627E+03 0.89055E-04 -0.12564E-04 3793 0.297E-02 0.857E-02 RMM: 6 -0.323913064906E+03 0.41721E-04 -0.37064E-05 2976 0.187E-02 0.421E-02 RMM: 7 -0.323913066477E+03 -0.15712E-05 -0.25172E-05 2555 0.149E-02 2006 T= 6829. E= 0.67476297E+03 F= 0.63235592E+03 E0= 0.66066150E+03 EK= 0.55608E+02 SP= -.13E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322885186376E+03 0.10279E+01 -0.16960E-01 8800 0.245E+01 0.214E-01 RMM: 2 -0.322904823234E+03 -0.19637E-01 -0.15361E-01 5311 0.857E-01 0.937E-01 RMM: 3 -0.322897883455E+03 0.69398E-02 -0.12360E-02 6074 0.222E-01 0.182E-01 RMM: 4 -0.322897584297E+03 0.29916E-03 -0.76595E-04 4757 0.624E-02 0.121E-01 RMM: 5 -0.322897499644E+03 0.84654E-04 -0.12202E-04 3768 0.285E-02 0.809E-02 RMM: 6 -0.322897464292E+03 0.35352E-04 -0.31774E-05 2866 0.175E-02 0.412E-02 RMM: 7 -0.322897467824E+03 -0.35318E-05 -0.24853E-05 2549 0.148E-02 2007 T= 6736. E= 0.67476631E+03 F= 0.63337152E+03 E0= 0.66168367E+03 EK= 0.54853E+02 SP= -.14E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321926145487E+03 0.97132E+00 -0.16544E-01 8712 0.243E+01 0.217E-01 RMM: 2 -0.321944946062E+03 -0.18801E-01 -0.14381E-01 5341 0.832E-01 0.952E-01 RMM: 3 -0.321937964937E+03 0.69811E-02 -0.11374E-02 6058 0.213E-01 0.187E-01 RMM: 4 -0.321937672234E+03 0.29270E-03 -0.76449E-04 4710 0.629E-02 0.126E-01 RMM: 5 -0.321937580633E+03 0.91601E-04 -0.12815E-04 3804 0.289E-02 0.850E-02 RMM: 6 -0.321937538424E+03 0.42210E-04 -0.37227E-05 3006 0.189E-02 0.399E-02 RMM: 7 -0.321937541920E+03 -0.34969E-05 -0.25299E-05 2560 0.148E-02 2008 T= 6649. E= 0.67477049E+03 F= 0.63433145E+03 E0= 0.66265829E+03 EK= 0.54142E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321067943103E+03 0.86960E+00 -0.15971E-01 8464 0.241E+01 0.227E-01 RMM: 2 -0.321087846359E+03 -0.19903E-01 -0.14242E-01 5253 0.843E-01 0.105E+00 RMM: 3 -0.321079735249E+03 0.81111E-02 -0.12855E-02 5930 0.226E-01 0.203E-01 RMM: 4 -0.321079375429E+03 0.35982E-03 -0.86267E-04 4730 0.660E-02 0.117E-01 RMM: 5 -0.321079298944E+03 0.76485E-04 -0.13676E-04 3814 0.290E-02 0.855E-02 RMM: 6 -0.321079257128E+03 0.41815E-04 -0.35574E-05 2969 0.183E-02 0.405E-02 RMM: 7 -0.321079261132E+03 -0.40039E-05 -0.25456E-05 2546 0.151E-02 2009 T= 6573. E= 0.67477393E+03 F= 0.63518973E+03 E0= 0.66353664E+03 EK= 0.53524E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320355986768E+03 0.72327E+00 -0.15208E-01 8288 0.239E+01 0.214E-01 RMM: 2 -0.320373886671E+03 -0.17900E-01 -0.13414E-01 5216 0.823E-01 0.952E-01 RMM: 3 -0.320367234102E+03 0.66526E-02 -0.12423E-02 5967 0.217E-01 0.190E-01 RMM: 4 -0.320366896601E+03 0.33750E-03 -0.78808E-04 4703 0.641E-02 0.119E-01 RMM: 5 -0.320366814647E+03 0.81953E-04 -0.12932E-04 3797 0.288E-02 0.817E-02 RMM: 6 -0.320366774830E+03 0.39818E-04 -0.34348E-05 2942 0.182E-02 0.379E-02 RMM: 7 -0.320366778396E+03 -0.35661E-05 -0.23125E-05 2532 0.144E-02 2010 T= 6514. E= 0.67477664E+03 F= 0.63590221E+03 E0= 0.66427149E+03 EK= 0.53045E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319824093301E+03 0.54268E+00 -0.14734E-01 8336 0.238E+01 0.217E-01 RMM: 2 -0.319842019902E+03 -0.17927E-01 -0.12658E-01 5156 0.806E-01 0.101E+00 RMM: 3 -0.319834604849E+03 0.74151E-02 -0.12123E-02 5877 0.221E-01 0.198E-01 RMM: 4 -0.319834263968E+03 0.34088E-03 -0.82288E-04 4685 0.645E-02 0.113E-01 RMM: 5 -0.319834197182E+03 0.66786E-04 -0.13153E-04 3801 0.288E-02 0.850E-02 RMM: 6 -0.319834154375E+03 0.42807E-04 -0.33983E-05 2941 0.179E-02 0.385E-02 RMM: 7 -0.319834157024E+03 -0.26489E-05 -0.22233E-05 2520 0.143E-02 2011 T= 6477. E= 0.67477819E+03 F= 0.63643483E+03 E0= 0.66482532E+03 EK= 0.52742E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319492566731E+03 0.34159E+00 -0.13533E-01 8368 0.238E+01 0.205E-01 RMM: 2 -0.319507525835E+03 -0.14959E-01 -0.10736E-01 5382 0.729E-01 0.925E-01 RMM: 3 -0.319501118323E+03 0.64075E-02 -0.88749E-03 5904 0.192E-01 0.185E-01 RMM: 4 -0.319500854758E+03 0.26357E-03 -0.69366E-04 4670 0.584E-02 0.108E-01 RMM: 5 -0.319500785284E+03 0.69474E-04 -0.10799E-04 3724 0.264E-02 0.776E-02 RMM: 6 -0.319500749597E+03 0.35687E-04 -0.29093E-05 2843 0.169E-02 0.389E-02 RMM: 7 -0.319500751606E+03 -0.20087E-05 -0.20841E-05 2523 0.134E-02 2012 T= 6464. E= 0.67477800E+03 F= 0.63676824E+03 E0= 0.66517639E+03 EK= 0.52637E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319361279482E+03 0.13947E+00 -0.13228E-01 8120 0.238E+01 0.206E-01 RMM: 2 -0.319377084101E+03 -0.15805E-01 -0.11093E-01 5220 0.748E-01 0.963E-01 RMM: 3 -0.319370260490E+03 0.68236E-02 -0.10242E-02 5848 0.205E-01 0.189E-01 RMM: 4 -0.319369965481E+03 0.29501E-03 -0.73423E-04 4672 0.599E-02 0.107E-01 RMM: 5 -0.319369904194E+03 0.61287E-04 -0.11336E-04 3705 0.270E-02 0.825E-02 RMM: 6 -0.319369864607E+03 0.39588E-04 -0.30892E-05 2865 0.174E-02 0.405E-02 RMM: 7 -0.319369865166E+03 -0.55896E-06 -0.21312E-05 2522 0.136E-02 2013 T= 6476. E= 0.67477670E+03 F= 0.63689912E+03 E0= 0.66531971E+03 EK= 0.52735E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319429532912E+03 -0.59668E-01 -0.13201E-01 8192 0.240E+01 0.207E-01 RMM: 2 -0.319444807804E+03 -0.15275E-01 -0.10390E-01 5361 0.718E-01 0.971E-01 RMM: 3 -0.319437697465E+03 0.71103E-02 -0.87559E-03 5843 0.195E-01 0.189E-01 RMM: 4 -0.319437429288E+03 0.26818E-03 -0.69984E-04 4670 0.580E-02 0.105E-01 RMM: 5 -0.319437363528E+03 0.65760E-04 -0.10156E-04 3662 0.262E-02 0.786E-02 RMM: 6 -0.319437327870E+03 0.35658E-04 -0.27253E-05 2718 0.164E-02 0.442E-02 RMM: 7 -0.319437327458E+03 0.41154E-06 -0.22002E-05 2558 0.135E-02 2014 T= 6512. E= 0.67477594E+03 F= 0.63683166E+03 E0= 0.66525950E+03 EK= 0.53034E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319698072006E+03 -0.26074E+00 -0.13495E-01 8104 0.242E+01 0.215E-01 RMM: 2 -0.319715689116E+03 -0.17617E-01 -0.12263E-01 5105 0.792E-01 0.101E+00 RMM: 3 -0.319708141506E+03 0.75476E-02 -0.12304E-02 5829 0.224E-01 0.200E-01 RMM: 4 -0.319707776538E+03 0.36497E-03 -0.81236E-04 4712 0.629E-02 0.106E-01 RMM: 5 -0.319707716490E+03 0.60047E-04 -0.11606E-04 3712 0.277E-02 0.856E-02 RMM: 6 -0.319707676062E+03 0.40429E-04 -0.31743E-05 2838 0.175E-02 0.482E-02 RMM: 7 -0.319707675101E+03 0.96071E-06 -0.24172E-05 2568 0.144E-02 2015 T= 6574. E= 0.67477669E+03 F= 0.63656131E+03 E0= 0.66499257E+03 EK= 0.53538E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320197550231E+03 -0.48987E+00 -0.13238E-01 8192 0.244E+01 0.244E-01 RMM: 2 -0.320217558624E+03 -0.20008E-01 -0.12009E-01 5287 0.784E-01 0.119E+00 RMM: 3 -0.320207099845E+03 0.10459E-01 -0.11609E-02 5780 0.227E-01 0.225E-01 RMM: 4 -0.320206707492E+03 0.39235E-03 -0.96020E-04 4712 0.672E-02 0.117E-01 RMM: 5 -0.320206636133E+03 0.71360E-04 -0.13137E-04 3796 0.298E-02 0.886E-02 RMM: 6 -0.320206590624E+03 0.45509E-04 -0.32503E-05 2888 0.175E-02 0.521E-02 RMM: 7 -0.320206591757E+03 -0.11335E-05 -0.26227E-05 2601 0.149E-02 2016 T= 6665. E= 0.67477906E+03 F= 0.63606240E+03 E0= 0.66449525E+03 EK= 0.54272E+02 SP= -.16E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320972096149E+03 -0.76551E+00 -0.13387E-01 8096 0.245E+01 0.274E-01 RMM: 2 -0.320994191145E+03 -0.22095E-01 -0.13355E-01 5139 0.857E-01 0.126E+00 RMM: 3 -0.320983025848E+03 0.11165E-01 -0.15164E-02 5645 0.259E-01 0.265E-01 RMM: 4 -0.320982468593E+03 0.55725E-03 -0.12630E-03 4747 0.764E-02 0.118E-01 RMM: 5 -0.320982416610E+03 0.51983E-04 -0.17709E-04 3900 0.326E-02 0.106E-01 RMM: 6 -0.320982348953E+03 0.67657E-04 -0.47348E-05 3154 0.206E-02 0.516E-02 RMM: 7 -0.320982349605E+03 -0.65175E-06 -0.23257E-05 2575 0.144E-02 2017 T= 6788. E= 0.67478193E+03 F= 0.63528664E+03 E0= 0.66372253E+03 EK= 0.55281E+02 SP= -.16E+02 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322076420746E+03 -0.10941E+01 -0.12585E-01 7864 0.248E+01 0.286E-01 RMM: 2 -0.322100280171E+03 -0.23859E-01 -0.11917E-01 5161 0.828E-01 0.143E+00 RMM: 3 -0.322086017261E+03 0.14263E-01 -0.13853E-02 5531 0.258E-01 0.275E-01 RMM: 4 -0.322085455249E+03 0.56201E-03 -0.13332E-03 4698 0.779E-02 0.118E-01 RMM: 5 -0.322085402353E+03 0.52896E-04 -0.17829E-04 3892 0.340E-02 0.996E-02 RMM: 6 -0.322085340566E+03 0.61787E-04 -0.41858E-05 3053 0.193E-02 0.515E-02 RMM: 7 -0.322085343216E+03 -0.26501E-05 -0.23914E-05 2574 0.147E-02 2018 T= 6951. E= 0.67478215E+03 F= 0.63418365E+03 E0= 0.66262625E+03 EK= 0.56607E+02 SP= -.16E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323514059219E+03 -0.14287E+01 -0.12141E-01 7688 0.251E+01 0.264E-01 RMM: 2 -0.323533314540E+03 -0.19255E-01 -0.10712E-01 5029 0.808E-01 0.124E+00 RMM: 3 -0.323522830440E+03 0.10484E-01 -0.13063E-02 5440 0.252E-01 0.255E-01 RMM: 4 -0.323522396238E+03 0.43420E-03 -0.11884E-03 4711 0.733E-02 0.109E-01 RMM: 5 -0.323522371082E+03 0.25156E-04 -0.17902E-04 3889 0.342E-02 0.109E-01 RMM: 6 -0.323522293720E+03 0.77362E-04 -0.54022E-05 3263 0.218E-02 0.373E-02 RMM: 7 -0.323522293674E+03 0.45351E-07 -0.17521E-05 2512 0.130E-02 2019 T= 7153. E= 0.67477636E+03 F= 0.63274670E+03 E0= 0.66120249E+03 EK= 0.58249E+02 SP= -.16E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325203427747E+03 -0.16811E+01 -0.11747E-01 7560 0.256E+01 0.225E-01 RMM: 2 -0.325219204663E+03 -0.15777E-01 -0.87908E-02 5165 0.733E-01 0.113E+00 RMM: 3 -0.325210548258E+03 0.86564E-02 -0.92839E-03 5474 0.208E-01 0.208E-01 RMM: 4 -0.325210253565E+03 0.29469E-03 -0.86101E-04 4625 0.645E-02 0.109E-01 RMM: 5 -0.325210192144E+03 0.61421E-04 -0.13468E-04 3846 0.310E-02 0.824E-02 RMM: 6 -0.325210148970E+03 0.43174E-04 -0.33460E-05 2898 0.177E-02 0.406E-02 RMM: 7 -0.325210148452E+03 0.51756E-06 -0.19652E-05 2522 0.133E-02 2020 T= 7382. E= 0.67476394E+03 F= 0.63105884E+03 E0= 0.65953515E+03 EK= 0.60113E+02 SP= -.16E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326959137090E+03 -0.17490E+01 -0.12844E-01 7824 0.262E+01 0.198E-01 RMM: 2 -0.326972926010E+03 -0.13789E-01 -0.11014E-01 5110 0.796E-01 0.806E-01 RMM: 3 -0.326968482107E+03 0.44439E-02 -0.11825E-02 5776 0.213E-01 0.177E-01 RMM: 4 -0.326968216296E+03 0.26581E-03 -0.74385E-04 4700 0.611E-02 0.136E-01 RMM: 5 -0.326968092392E+03 0.12390E-03 -0.13539E-04 3871 0.319E-02 0.781E-02 RMM: 6 -0.326968062204E+03 0.30188E-04 -0.32888E-05 2812 0.173E-02 0.501E-02 RMM: 7 -0.326968051598E+03 0.10606E-04 -0.27502E-05 2581 0.158E-02 2021 T= 7615. E= 0.67474752E+03 F= 0.62930094E+03 E0= 0.65780546E+03 EK= 0.62010E+02 SP= -.17E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328545798681E+03 -0.15777E+01 -0.14153E-01 8392 0.268E+01 0.218E-01 RMM: 2 -0.328562859514E+03 -0.17061E-01 -0.13123E-01 5274 0.853E-01 0.919E-01 RMM: 3 -0.328556960352E+03 0.58992E-02 -0.12872E-02 5808 0.218E-01 0.209E-01 RMM: 4 -0.328556573019E+03 0.38733E-03 -0.90216E-04 4692 0.697E-02 0.154E-01 RMM: 5 -0.328556409677E+03 0.16334E-03 -0.17169E-04 3888 0.352E-02 0.853E-02 RMM: 6 -0.328556384858E+03 0.24819E-04 -0.29529E-05 2645 0.164E-02 0.688E-02 RMM: 7 -0.328556362750E+03 0.22108E-04 -0.42599E-05 2676 0.184E-02 0.694E-02 RMM: 8 -0.328556330631E+03 0.32119E-04 -0.39268E-05 2825 0.172E-02 0.381E-02 RMM: 9 -0.328556341110E+03 -0.10479E-04 -0.34542E-05 2614 0.161E-02 2022 T= 7821. E= 0.67473122E+03 F= 0.62771265E+03 E0= 0.65625288E+03 EK= 0.63692E+02 SP= -.17E+02 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329728831659E+03 -0.11725E+01 -0.15432E-01 8760 0.272E+01 0.251E-01 RMM: 2 -0.329746261756E+03 -0.17430E-01 -0.15950E-01 5268 0.936E-01 0.766E-01 RMM: 3 -0.329742220040E+03 0.40417E-02 -0.15578E-02 5874 0.236E-01 0.195E-01 RMM: 4 -0.329742012464E+03 0.20758E-03 -0.10339E-03 4748 0.744E-02 0.243E-01 RMM: 5 -0.329741608078E+03 0.40439E-03 -0.25381E-04 3931 0.427E-02 0.781E-02 RMM: 6 -0.329741580046E+03 0.28032E-04 -0.48435E-05 3158 0.200E-02 0.613E-02 RMM: 7 -0.329741556588E+03 0.23458E-04 -0.30849E-05 2608 0.168E-02 0.497E-02 RMM: 8 -0.329741543101E+03 0.13487E-04 -0.17928E-05 2533 0.123E-02 2023 T= 7972. E= 0.67471970E+03 F= 0.62652745E+03 E0= 0.65510499E+03 EK= 0.64917E+02 SP= -.17E+02 SK= 0.39E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330340930033E+03 -0.59937E+00 -0.16354E-01 8768 0.275E+01 0.220E-01 RMM: 2 -0.330361562038E+03 -0.20632E-01 -0.17021E-01 5270 0.935E-01 0.899E-01 RMM: 3 -0.330355608841E+03 0.59532E-02 -0.15884E-02 5860 0.240E-01 0.217E-01 RMM: 4 -0.330355143955E+03 0.46489E-03 -0.95179E-04 4742 0.693E-02 0.152E-01 RMM: 5 -0.330354990624E+03 0.15333E-03 -0.15683E-04 3892 0.333E-02 0.957E-02 RMM: 6 -0.330354962112E+03 0.28512E-04 -0.32273E-05 2708 0.170E-02 0.831E-02 RMM: 7 -0.330354922364E+03 0.39748E-04 -0.65094E-05 3371 0.214E-02 0.778E-02 RMM: 8 -0.330354881128E+03 0.41237E-04 -0.48005E-05 2892 0.184E-02 0.474E-02 RMM: 9 -0.330354882212E+03 -0.10844E-05 -0.59500E-05 3371 0.193E-02 2024 T= 8044. E= 0.67471460E+03 F= 0.62591411E+03 E0= 0.65453049E+03 EK= 0.65507E+02 SP= -.17E+02 SK= 0.38E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330305986407E+03 0.48895E-01 -0.17538E-01 8720 0.275E+01 0.258E-01 RMM: 2 -0.330327048430E+03 -0.21062E-01 -0.16152E-01 5236 0.914E-01 0.104E+00 RMM: 3 -0.330319405998E+03 0.76424E-02 -0.15932E-02 5836 0.245E-01 0.203E-01 RMM: 4 -0.330319156892E+03 0.24911E-03 -0.11972E-03 4780 0.796E-02 0.222E-01 RMM: 5 -0.330318808875E+03 0.34802E-03 -0.25878E-04 3911 0.428E-02 0.712E-02 RMM: 6 -0.330318788712E+03 0.20163E-04 -0.40105E-05 3012 0.183E-02 0.635E-02 RMM: 7 -0.330318767705E+03 0.21007E-04 -0.31529E-05 2606 0.166E-02 0.531E-02 RMM: 8 -0.330318750111E+03 0.17595E-04 -0.20887E-05 2548 0.129E-02 2025 T= 8029. E= 0.67471548E+03 F= 0.62595024E+03 E0= 0.65460006E+03 EK= 0.65382E+02 SP= -.17E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329631748396E+03 0.68702E+00 -0.17603E-01 8592 0.273E+01 0.225E-01 RMM: 2 -0.329654281953E+03 -0.22534E-01 -0.15936E-01 5250 0.856E-01 0.110E+00 RMM: 3 -0.329644929303E+03 0.93526E-02 -0.14056E-02 5804 0.236E-01 0.232E-01 RMM: 4 -0.329644445089E+03 0.48421E-03 -0.94604E-04 4784 0.673E-02 0.112E-01 RMM: 5 -0.329644375347E+03 0.69742E-04 -0.12656E-04 3866 0.284E-02 0.858E-02 RMM: 6 -0.329644346284E+03 0.29063E-04 -0.29072E-05 2659 0.162E-02 0.696E-02 RMM: 7 -0.329644355789E+03 -0.95058E-05 -0.81859E-05 3714 0.223E-02 2026 T= 7927. E= 0.67472087E+03 F= 0.62662463E+03 E0= 0.65530215E+03 EK= 0.64551E+02 SP= -.17E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328401869943E+03 0.12425E+01 -0.17496E-01 8520 0.269E+01 0.203E-01 RMM: 2 -0.328420725611E+03 -0.18856E-01 -0.14974E-01 5325 0.829E-01 0.879E-01 RMM: 3 -0.328414245114E+03 0.64805E-02 -0.11866E-02 5676 0.228E-01 0.195E-01 RMM: 4 -0.328413978989E+03 0.26613E-03 -0.88532E-04 4736 0.660E-02 0.133E-01 RMM: 5 -0.328413881973E+03 0.97016E-04 -0.13675E-04 3828 0.305E-02 0.840E-02 RMM: 6 -0.328413849093E+03 0.32880E-04 -0.33576E-05 2906 0.178E-02 0.498E-02 RMM: 7 -0.328413859520E+03 -0.10427E-04 -0.26773E-05 2593 0.155E-02 2027 T= 7749. E= 0.67473012E+03 F= 0.62785513E+03 E0= 0.65655192E+03 EK= 0.63105E+02 SP= -.16E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326745559549E+03 0.16683E+01 -0.17845E-01 8392 0.263E+01 0.280E-01 RMM: 2 -0.326773024023E+03 -0.27464E-01 -0.15892E-01 5126 0.888E-01 0.141E+00 RMM: 3 -0.326758633867E+03 0.14390E-01 -0.16001E-02 5604 0.270E-01 0.246E-01 RMM: 4 -0.326758164751E+03 0.46912E-03 -0.13070E-03 4847 0.773E-02 0.128E-01 RMM: 5 -0.326758104821E+03 0.59930E-04 -0.19491E-04 3901 0.357E-02 0.102E-01 RMM: 6 -0.326758043231E+03 0.61590E-04 -0.55384E-05 3247 0.216E-02 0.521E-02 RMM: 7 -0.326758053079E+03 -0.98480E-05 -0.27370E-05 2591 0.158E-02 2028 T= 7514. E= 0.67474151E+03 F= 0.62951094E+03 E0= 0.65821821E+03 EK= 0.61186E+02 SP= -.16E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324815583996E+03 0.19425E+01 -0.17295E-01 8560 0.257E+01 0.224E-01 RMM: 2 -0.324837394583E+03 -0.21811E-01 -0.15775E-01 5081 0.878E-01 0.105E+00 RMM: 3 -0.324828961040E+03 0.84335E-02 -0.14801E-02 5551 0.261E-01 0.228E-01 RMM: 4 -0.324828570949E+03 0.39009E-03 -0.11268E-03 4862 0.711E-02 0.108E-01 RMM: 5 -0.324828522438E+03 0.48511E-04 -0.15556E-04 3900 0.329E-02 0.926E-02 RMM: 6 -0.324828475572E+03 0.46866E-04 -0.40223E-05 3000 0.190E-02 0.496E-02 RMM: 7 -0.324828480646E+03 -0.50739E-05 -0.23231E-05 2550 0.149E-02 2029 T= 7240. E= 0.67475295E+03 F= 0.63144051E+03 E0= 0.66015109E+03 EK= 0.58959E+02 SP= -.16E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322759860955E+03 0.20686E+01 -0.16465E-01 8240 0.251E+01 0.246E-01 RMM: 2 -0.322784360607E+03 -0.24500E-01 -0.15835E-01 5000 0.896E-01 0.124E+00 RMM: 3 -0.322773325019E+03 0.11036E-01 -0.16323E-02 5639 0.265E-01 0.216E-01 RMM: 4 -0.322772909270E+03 0.41575E-03 -0.11471E-03 4873 0.717E-02 0.114E-01 RMM: 5 -0.322772855641E+03 0.53629E-04 -0.16750E-04 3918 0.345E-02 0.907E-02 RMM: 6 -0.322772805345E+03 0.50296E-04 -0.45477E-05 3083 0.199E-02 0.456E-02 RMM: 7 -0.322772811536E+03 -0.61908E-05 -0.23223E-05 2551 0.147E-02 2030 T= 6949. E= 0.67476357E+03 F= 0.63349618E+03 E0= 0.66220347E+03 EK= 0.56585E+02 SP= -.16E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320711406195E+03 0.20614E+01 -0.15820E-01 8264 0.245E+01 0.207E-01 RMM: 2 -0.320730450749E+03 -0.19045E-01 -0.14000E-01 5142 0.823E-01 0.961E-01 RMM: 3 -0.320723176975E+03 0.72738E-02 -0.12749E-02 5546 0.239E-01 0.224E-01 RMM: 4 -0.320722803505E+03 0.37347E-03 -0.98049E-04 4783 0.671E-02 0.101E-01 RMM: 5 -0.320722761152E+03 0.42352E-04 -0.14588E-04 3885 0.323E-02 0.857E-02 RMM: 6 -0.320722716295E+03 0.44857E-04 -0.37567E-05 2987 0.185E-02 0.434E-02 RMM: 7 -0.320722719468E+03 -0.31730E-05 -0.20866E-05 2526 0.142E-02 2031 T= 6657. E= 0.67477303E+03 F= 0.63554627E+03 E0= 0.66424634E+03 EK= 0.54212E+02 SP= -.15E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318780099958E+03 0.19426E+01 -0.14705E-01 8128 0.240E+01 0.211E-01 RMM: 2 -0.318798124773E+03 -0.18025E-01 -0.12553E-01 5107 0.799E-01 0.101E+00 RMM: 3 -0.318790602650E+03 0.75221E-02 -0.12182E-02 5769 0.227E-01 0.190E-01 RMM: 4 -0.318790300382E+03 0.30227E-03 -0.81956E-04 4795 0.620E-02 0.107E-01 RMM: 5 -0.318790248435E+03 0.51947E-04 -0.12473E-04 3790 0.299E-02 0.838E-02 RMM: 6 -0.318790205532E+03 0.42903E-04 -0.36024E-05 2965 0.182E-02 0.420E-02 RMM: 7 -0.318790210729E+03 -0.51968E-05 -0.22713E-05 2538 0.144E-02 2032 T= 6381. E= 0.67478119E+03 F= 0.63747878E+03 E0= 0.66616905E+03 EK= 0.51962E+02 SP= -.15E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317060272882E+03 0.17299E+01 -0.12949E-01 8208 0.235E+01 0.199E-01 RMM: 2 -0.317075345162E+03 -0.15072E-01 -0.10634E-01 5293 0.723E-01 0.917E-01 RMM: 3 -0.317068966497E+03 0.63787E-02 -0.92188E-03 5601 0.204E-01 0.219E-01 RMM: 4 -0.317068622935E+03 0.34356E-03 -0.76709E-04 4709 0.600E-02 0.931E-02 RMM: 5 -0.317068584439E+03 0.38496E-04 -0.11797E-04 3796 0.286E-02 0.805E-02 RMM: 6 -0.317068544211E+03 0.40228E-04 -0.30900E-05 2883 0.173E-02 0.413E-02 RMM: 7 -0.317068545551E+03 -0.13402E-05 -0.19874E-05 2515 0.136E-02 2033 T= 6132. E= 0.67478793E+03 F= 0.63920044E+03 E0= 0.66788086E+03 EK= 0.49939E+02 SP= -.15E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315625880867E+03 0.14427E+01 -0.12655E-01 8216 0.232E+01 0.199E-01 RMM: 2 -0.315641170621E+03 -0.15290E-01 -0.10725E-01 5202 0.741E-01 0.937E-01 RMM: 3 -0.315634691181E+03 0.64794E-02 -0.10270E-02 5823 0.204E-01 0.189E-01 RMM: 4 -0.315634372459E+03 0.31872E-03 -0.71233E-04 4742 0.586E-02 0.972E-02 RMM: 5 -0.315634329710E+03 0.42749E-04 -0.10721E-04 3703 0.270E-02 0.813E-02 RMM: 6 -0.315634291107E+03 0.38603E-04 -0.29781E-05 2800 0.171E-02 0.419E-02 RMM: 7 -0.315634293198E+03 -0.20903E-05 -0.18383E-05 2519 0.128E-02 2034 T= 5922. E= 0.67479335E+03 F= 0.64063470E+03 E0= 0.66930673E+03 EK= 0.48226E+02 SP= -.14E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314538304064E+03 0.10960E+01 -0.11672E-01 8208 0.229E+01 0.196E-01 RMM: 2 -0.314551602709E+03 -0.13299E-01 -0.90136E-02 5337 0.678E-01 0.916E-01 RMM: 3 -0.314545557134E+03 0.60456E-02 -0.81578E-03 5648 0.193E-01 0.209E-01 RMM: 4 -0.314545241485E+03 0.31565E-03 -0.67939E-04 4793 0.552E-02 0.865E-02 RMM: 5 -0.314545204285E+03 0.37201E-04 -0.97180E-05 3672 0.258E-02 0.743E-02 RMM: 6 -0.314545171827E+03 0.32457E-04 -0.25858E-05 2737 0.159E-02 0.426E-02 RMM: 7 -0.314545171797E+03 0.29946E-07 -0.23071E-05 2543 0.144E-02 2035 T= 5758. E= 0.67479691E+03 F= 0.64172382E+03 E0= 0.67039107E+03 EK= 0.46886E+02 SP= -.14E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313824323528E+03 0.72085E+00 -0.11423E-01 7984 0.227E+01 0.185E-01 RMM: 2 -0.313839241937E+03 -0.14918E-01 -0.10575E-01 5008 0.753E-01 0.907E-01 RMM: 3 -0.313833351875E+03 0.58901E-02 -0.11531E-02 5767 0.210E-01 0.182E-01 RMM: 4 -0.313833001582E+03 0.35029E-03 -0.73119E-04 4719 0.602E-02 0.902E-02 RMM: 5 -0.313832962835E+03 0.38747E-04 -0.11095E-04 3756 0.268E-02 0.770E-02 RMM: 6 -0.313832928912E+03 0.33923E-04 -0.28951E-05 2770 0.168E-02 0.392E-02 RMM: 7 -0.313832931498E+03 -0.25865E-05 -0.19479E-05 2532 0.132E-02 2036 T= 5643. E= 0.67479820E+03 F= 0.64243606E+03 E0= 0.67110321E+03 EK= 0.45951E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313492488257E+03 0.34044E+00 -0.10558E-01 8024 0.226E+01 0.187E-01 RMM: 2 -0.313504067691E+03 -0.11579E-01 -0.76330E-02 5312 0.644E-01 0.882E-01 RMM: 3 -0.313498618426E+03 0.54493E-02 -0.72341E-03 5624 0.178E-01 0.198E-01 RMM: 4 -0.313498308557E+03 0.30987E-03 -0.60830E-04 4700 0.535E-02 0.786E-02 RMM: 5 -0.313498275874E+03 0.32683E-04 -0.87153E-05 3637 0.239E-02 0.692E-02 RMM: 6 -0.313498248172E+03 0.27702E-04 -0.22364E-05 2608 0.150E-02 0.392E-02 RMM: 7 -0.313498248681E+03 -0.50874E-06 -0.18078E-05 2510 0.126E-02 2037 T= 5578. E= 0.67479695E+03 F= 0.64277074E+03 E0= 0.67144359E+03 EK= 0.45423E+02 SP= -.13E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313504167381E+03 -0.59192E-02 -0.10899E-01 7856 0.227E+01 0.162E-01 RMM: 2 -0.313514297200E+03 -0.10130E-01 -0.77235E-02 5118 0.661E-01 0.725E-01 RMM: 3 -0.313510623151E+03 0.36740E-02 -0.78270E-03 5771 0.174E-01 0.160E-01 RMM: 4 -0.313510391611E+03 0.23154E-03 -0.51388E-04 4513 0.511E-02 0.883E-02 RMM: 5 -0.313510349224E+03 0.42387E-04 -0.84371E-05 3559 0.242E-02 0.697E-02 RMM: 6 -0.313510321103E+03 0.28121E-04 -0.25384E-05 2632 0.159E-02 0.344E-02 RMM: 7 -0.313510320762E+03 0.34037E-06 -0.17289E-05 2498 0.126E-02 2038 T= 5559. E= 0.67479345E+03 F= 0.64275867E+03 E0= 0.67144241E+03 EK= 0.45271E+02 SP= -.13E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313808010058E+03 -0.29769E+00 -0.10443E-01 7752 0.228E+01 0.194E-01 RMM: 2 -0.313818724212E+03 -0.10714E-01 -0.63883E-02 5266 0.614E-01 0.928E-01 RMM: 3 -0.313813019545E+03 0.57047E-02 -0.64743E-03 5541 0.172E-01 0.187E-01 RMM: 4 -0.313812761485E+03 0.25806E-03 -0.57786E-04 4611 0.529E-02 0.839E-02 RMM: 5 -0.313812727379E+03 0.34106E-04 -0.89335E-05 3662 0.246E-02 0.707E-02 RMM: 6 -0.313812696428E+03 0.30951E-04 -0.24036E-05 2680 0.156E-02 0.345E-02 RMM: 7 -0.313812696190E+03 0.23724E-06 -0.13608E-05 2486 0.110E-02 2039 T= 5580. E= 0.67478947E+03 F= 0.64245629E+03 E0= 0.67115588E+03 EK= 0.45440E+02 SP= -.13E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314335772508E+03 -0.52308E+00 -0.10346E-01 7568 0.229E+01 0.168E-01 RMM: 2 -0.314344557578E+03 -0.87851E-02 -0.62616E-02 5224 0.599E-01 0.746E-01 RMM: 3 -0.314340807668E+03 0.37499E-02 -0.60991E-03 5612 0.159E-01 0.155E-01 RMM: 4 -0.314340630950E+03 0.17672E-03 -0.45674E-04 4430 0.477E-02 0.933E-02 RMM: 5 -0.314340577088E+03 0.53862E-04 -0.75609E-05 3516 0.239E-02 0.643E-02 RMM: 6 -0.314340554432E+03 0.22656E-04 -0.23340E-05 2578 0.153E-02 0.344E-02 RMM: 7 -0.314340553342E+03 0.10907E-05 -0.15210E-05 2485 0.119E-02 2040 T= 5632. E= 0.67478584E+03 F= 0.64192844E+03 E0= 0.67064725E+03 EK= 0.45864E+02 SP= -.13E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315030364442E+03 -0.68981E+00 -0.10521E-01 7512 0.231E+01 0.186E-01 RMM: 2 -0.315040315728E+03 -0.99513E-02 -0.65672E-02 5230 0.621E-01 0.845E-01 RMM: 3 -0.315035588384E+03 0.47273E-02 -0.68727E-03 5671 0.168E-01 0.163E-01 RMM: 4 -0.315035389187E+03 0.19920E-03 -0.53481E-04 4585 0.511E-02 0.999E-02 RMM: 5 -0.315035334342E+03 0.54845E-04 -0.87702E-05 3617 0.248E-02 0.705E-02 RMM: 6 -0.315035304428E+03 0.29914E-04 -0.24108E-05 2654 0.156E-02 0.361E-02 RMM: 7 -0.315035303180E+03 0.12480E-05 -0.15249E-05 2490 0.117E-02 2041 T= 5708. E= 0.67478283E+03 F= 0.64123369E+03 E0= 0.66997380E+03 EK= 0.46484E+02 SP= -.13E+02 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315850385899E+03 -0.81508E+00 -0.10312E-01 7432 0.233E+01 0.161E-01 RMM: 2 -0.315858775350E+03 -0.83895E-02 -0.62585E-02 5265 0.590E-01 0.704E-01 RMM: 3 -0.315855393577E+03 0.33818E-02 -0.59313E-03 5670 0.153E-01 0.144E-01 RMM: 4 -0.315855246025E+03 0.14755E-03 -0.42621E-04 4315 0.464E-02 0.972E-02 RMM: 5 -0.315855180448E+03 0.65577E-04 -0.69423E-05 3445 0.232E-02 0.621E-02 RMM: 6 -0.315855161018E+03 0.19430E-04 -0.21666E-05 2543 0.145E-02 2042 T= 5803. E= 0.67478120E+03 F= 0.64041383E+03 E0= 0.66917518E+03 EK= 0.47256E+02 SP= -.13E+02 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316774609990E+03 -0.91943E+00 -0.10472E-01 7464 0.234E+01 0.181E-01 RMM: 2 -0.316785691296E+03 -0.11081E-01 -0.75180E-02 5127 0.643E-01 0.839E-01 RMM: 3 -0.316780809971E+03 0.48813E-02 -0.80483E-03 5559 0.184E-01 0.172E-01 RMM: 4 -0.316780574965E+03 0.23501E-03 -0.59759E-04 4700 0.508E-02 0.763E-02 RMM: 5 -0.316780532529E+03 0.42436E-04 -0.69523E-05 3478 0.221E-02 0.657E-02 RMM: 6 -0.316780511088E+03 0.21440E-04 -0.20698E-05 2526 0.141E-02 0.482E-02 RMM: 7 -0.316780510857E+03 0.23096E-06 -0.27714E-05 2572 0.155E-02 2043 T= 5914. E= 0.67478060E+03 F= 0.63948848E+03 E0= 0.66826964E+03 EK= 0.48157E+02 SP= -.13E+02 SK= 0.42E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.317802592149E+03 -0.10221E+01 -0.10598E-01 7320 0.236E+01 0.204E-01 RMM: 2 -0.317814370022E+03 -0.11778E-01 -0.71953E-02 5143 0.641E-01 0.954E-01 RMM: 3 -0.317808325992E+03 0.60440E-02 -0.78654E-03 5558 0.182E-01 0.199E-01 RMM: 4 -0.317808063577E+03 0.26241E-03 -0.77348E-04 4625 0.632E-02 0.116E-01 RMM: 5 -0.317808018063E+03 0.45515E-04 -0.12808E-04 3787 0.295E-02 0.891E-02 RMM: 6 -0.317807964904E+03 0.53159E-04 -0.30694E-05 2851 0.177E-02 0.263E-02 RMM: 7 -0.317807964991E+03 -0.87102E-07 -0.13418E-05 2479 0.112E-02 2044 T= 6039. E= 0.67478014E+03 F= 0.63846102E+03 E0= 0.66725847E+03 EK= 0.49181E+02 SP= -.13E+02 SK= 0.61E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.318934055996E+03 -0.11261E+01 -0.10702E-01 7432 0.238E+01 0.173E-01 RMM: 2 -0.318944447678E+03 -0.10392E-01 -0.72107E-02 5215 0.627E-01 0.808E-01 RMM: 3 -0.318939853531E+03 0.45941E-02 -0.71083E-03 5588 0.171E-01 0.134E-01 RMM: 4 -0.318939716953E+03 0.13658E-03 -0.50445E-04 4527 0.485E-02 0.989E-02 RMM: 5 -0.318939645736E+03 0.71218E-04 -0.72516E-05 3528 0.227E-02 0.652E-02 RMM: 6 -0.318939620847E+03 0.24889E-04 -0.23606E-05 2578 0.149E-02 0.392E-02 RMM: 7 -0.318939614257E+03 0.65894E-05 -0.22233E-05 2538 0.133E-02 2045 T= 6180. E= 0.67477889E+03 F= 0.63732938E+03 E0= 0.66613793E+03 EK= 0.50325E+02 SP= -.13E+02 SK= 0.84E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.320165300832E+03 -0.12257E+01 -0.10930E-01 7768 0.240E+01 0.146E-01 RMM: 2 -0.320174171912E+03 -0.88711E-02 -0.72142E-02 5074 0.638E-01 0.633E-01 RMM: 3 -0.320171410812E+03 0.27611E-02 -0.75622E-03 5819 0.164E-01 0.139E-01 RMM: 4 -0.320171208697E+03 0.20211E-03 -0.40430E-04 4343 0.461E-02 0.828E-02 RMM: 5 -0.320171163387E+03 0.45310E-04 -0.63553E-05 3370 0.238E-02 0.527E-02 RMM: 6 -0.320171150473E+03 0.12915E-04 -0.20129E-05 2531 0.135E-02 2046 T= 6334. E= 0.67477646E+03 F= 0.63609784E+03 E0= 0.66491164E+03 EK= 0.51580E+02 SP= -.13E+02 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321475328210E+03 -0.13042E+01 -0.11164E-01 7712 0.243E+01 0.174E-01 RMM: 2 -0.321487239995E+03 -0.11912E-01 -0.80606E-02 5090 0.665E-01 0.853E-01 RMM: 3 -0.321482110515E+03 0.51295E-02 -0.84749E-03 5573 0.184E-01 0.166E-01 RMM: 4 -0.321481884766E+03 0.22575E-03 -0.60802E-04 4598 0.540E-02 0.920E-02 RMM: 5 -0.321481826765E+03 0.58001E-04 -0.90047E-05 3675 0.255E-02 0.590E-02 RMM: 6 -0.321481807649E+03 0.19116E-04 -0.21143E-05 2550 0.140E-02 2047 T= 6498. E= 0.67477286E+03 F= 0.63478718E+03 E0= 0.66359902E+03 EK= 0.52920E+02 SP= -.13E+02 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322821409231E+03 -0.13396E+01 -0.11496E-01 7504 0.246E+01 0.233E-01 RMM: 2 -0.322840546928E+03 -0.19138E-01 -0.90403E-02 5129 0.726E-01 0.131E+00 RMM: 3 -0.322828757707E+03 0.11789E-01 -0.10508E-02 5449 0.224E-01 0.249E-01 RMM: 4 -0.322828274133E+03 0.48357E-03 -0.10218E-03 4698 0.684E-02 0.750E-02 RMM: 5 -0.322828240304E+03 0.33829E-04 -0.12933E-04 4069 0.269E-02 0.720E-02 RMM: 6 -0.322828213203E+03 0.27101E-04 -0.22329E-05 2557 0.143E-02 0.492E-02 RMM: 7 -0.322828215493E+03 -0.22906E-05 -0.29797E-05 2608 0.165E-02 2048 T= 6667. E= 0.67476747E+03 F= 0.63344077E+03 E0= 0.66224328E+03 EK= 0.54294E+02 SP= -.13E+02 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324142022999E+03 -0.13138E+01 -0.11801E-01 7672 0.249E+01 0.212E-01 RMM: 2 -0.324155668529E+03 -0.13646E-01 -0.84813E-02 5028 0.708E-01 0.987E-01 RMM: 3 -0.324148952307E+03 0.67162E-02 -0.95222E-03 5487 0.207E-01 0.216E-01 RMM: 4 -0.324148659385E+03 0.29292E-03 -0.90691E-04 4657 0.670E-02 0.115E-01 RMM: 5 -0.324148601374E+03 0.58011E-04 -0.14662E-04 3866 0.316E-02 0.849E-02 RMM: 6 -0.324148556123E+03 0.45251E-04 -0.33465E-05 2921 0.180E-02 0.305E-02 RMM: 7 -0.324148558431E+03 -0.23082E-05 -0.15076E-05 2497 0.120E-02 2049 T= 6832. E= 0.67476139E+03 F= 0.63212043E+03 E0= 0.66090780E+03 EK= 0.55636E+02 SP= -.13E+02 SK= 0.82E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325363746523E+03 -0.12152E+01 -0.12659E-01 7560 0.252E+01 0.180E-01 RMM: 2 -0.325376712705E+03 -0.12966E-01 -0.97831E-02 5101 0.737E-01 0.823E-01 RMM: 3 -0.325372026806E+03 0.46859E-02 -0.10292E-02 5769 0.194E-01 0.163E-01 RMM: 4 -0.325371764506E+03 0.26230E-03 -0.60850E-04 4718 0.558E-02 0.111E-01 RMM: 5 -0.325371681395E+03 0.83110E-04 -0.10755E-04 3780 0.283E-02 0.679E-02 RMM: 6 -0.325371656112E+03 0.25283E-04 -0.28962E-05 2735 0.163E-02 0.445E-02 RMM: 7 -0.325371644040E+03 0.12072E-04 -0.29587E-05 2569 0.156E-02 2050 T= 6983. E= 0.67475538E+03 F= 0.63089735E+03 E0= 0.65966251E+03 EK= 0.56868E+02 SP= -.13E+02 SK= 0.43E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.326417615895E+03 -0.10460E+01 -0.13260E-01 7528 0.255E+01 0.181E-01 RMM: 2 -0.326431694251E+03 -0.14078E-01 -0.10903E-01 5025 0.783E-01 0.823E-01 RMM: 3 -0.326426946638E+03 0.47476E-02 -0.12082E-02 5913 0.201E-01 0.166E-01 RMM: 4 -0.326426593169E+03 0.35347E-03 -0.62413E-04 4688 0.585E-02 0.934E-02 RMM: 5 -0.326426539987E+03 0.53181E-04 -0.94996E-05 3642 0.272E-02 0.638E-02 RMM: 6 -0.326426520843E+03 0.19144E-04 -0.24375E-05 2568 0.150E-02 2051 T= 7112. E= 0.67475019E+03 F= 0.62984247E+03 E0= 0.65858218E+03 EK= 0.57912E+02 SP= -.13E+02 SK= 0.53E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327244218337E+03 -0.81768E+00 -0.13324E-01 7624 0.257E+01 0.183E-01 RMM: 2 -0.327260846029E+03 -0.16628E-01 -0.11998E-01 4998 0.807E-01 0.936E-01 RMM: 3 -0.327254689485E+03 0.61565E-02 -0.13093E-02 5753 0.217E-01 0.180E-01 RMM: 4 -0.327254359615E+03 0.32987E-03 -0.75014E-04 4748 0.610E-02 0.105E-01 RMM: 5 -0.327254279093E+03 0.80521E-04 -0.10744E-04 3766 0.281E-02 0.600E-02 RMM: 6 -0.327254265478E+03 0.13616E-04 -0.23877E-05 2558 0.141E-02 2052 T= 7209. E= 0.67474711E+03 F= 0.62901472E+03 E0= 0.65772736E+03 EK= 0.58706E+02 SP= -.13E+02 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327808255765E+03 -0.55398E+00 -0.12910E-01 7520 0.258E+01 0.311E-01 RMM: 2 -0.327837742219E+03 -0.29486E-01 -0.11006E-01 5047 0.814E-01 0.175E+00 RMM: 3 -0.327816788686E+03 0.20954E-01 -0.14376E-02 5396 0.281E-01 0.283E-01 RMM: 4 -0.327816197838E+03 0.59085E-03 -0.15426E-03 4785 0.816E-02 0.885E-02 RMM: 5 -0.327816190306E+03 0.75320E-05 -0.18452E-04 3964 0.321E-02 2053 T= 7270. E= 0.67474702E+03 F= 0.62845280E+03 E0= 0.65713968E+03 EK= 0.59206E+02 SP= -.13E+02 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328090739611E+03 -0.27454E+00 -0.12820E-01 7504 0.259E+01 0.235E-01 RMM: 2 -0.328109849597E+03 -0.19110E-01 -0.11141E-01 5060 0.793E-01 0.118E+00 RMM: 3 -0.328100206226E+03 0.96434E-02 -0.12360E-02 5472 0.243E-01 0.266E-01 RMM: 4 -0.328099709576E+03 0.49665E-03 -0.10883E-03 4730 0.692E-02 0.946E-02 RMM: 5 -0.328099650104E+03 0.59472E-04 -0.13604E-04 4019 0.299E-02 0.768E-02 RMM: 6 -0.328099625977E+03 0.24127E-04 -0.29005E-05 2639 0.156E-02 0.659E-02 RMM: 7 -0.328099647479E+03 -0.21503E-04 -0.82963E-05 3840 0.237E-02 0.101E-01 RMM: 8 -0.328099575879E+03 0.71600E-04 -0.10831E-04 3884 0.249E-02 0.315E-02 RMM: 9 -0.328099574801E+03 0.10785E-05 -0.18194E-05 2528 0.126E-02 2054 T= 7294. E= 0.67474843E+03 F= 0.62816941E+03 E0= 0.65683506E+03 EK= 0.59396E+02 SP= -.13E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328110155453E+03 -0.10580E-01 -0.12899E-01 7528 0.258E+01 0.250E-01 RMM: 2 -0.328125858065E+03 -0.15703E-01 -0.12113E-01 4834 0.839E-01 0.931E-01 RMM: 3 -0.328119928211E+03 0.59299E-02 -0.13733E-02 5839 0.231E-01 0.174E-01 RMM: 4 -0.328119937422E+03 -0.92116E-05 -0.10756E-03 4809 0.790E-02 0.245E-01 RMM: 5 -0.328119584222E+03 0.35320E-03 -0.26046E-04 3926 0.431E-02 0.101E-01 RMM: 6 -0.328119520116E+03 0.64106E-04 -0.61593E-05 3364 0.234E-02 0.327E-02 RMM: 7 -0.328119532007E+03 -0.11891E-04 -0.21065E-05 2539 0.138E-02 2055 T= 7281. E= 0.67475024E+03 F= 0.62814946E+03 E0= 0.65679973E+03 EK= 0.59289E+02 SP= -.13E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327902369925E+03 0.21715E+00 -0.12605E-01 7816 0.256E+01 0.189E-01 RMM: 2 -0.327917436490E+03 -0.15067E-01 -0.11490E-01 5039 0.807E-01 0.869E-01 RMM: 3 -0.327912196507E+03 0.52400E-02 -0.12475E-02 5903 0.217E-01 0.157E-01 RMM: 4 -0.327911892634E+03 0.30387E-03 -0.63455E-04 4852 0.565E-02 0.916E-02 RMM: 5 -0.327911833543E+03 0.59090E-04 -0.88770E-05 3758 0.261E-02 0.645E-02 RMM: 6 -0.327911817178E+03 0.16366E-04 -0.23690E-05 2551 0.144E-02 2056 T= 7236. E= 0.67475473E+03 F= 0.62835717E+03 E0= 0.65700008E+03 EK= 0.58924E+02 SP= -.13E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327522069297E+03 0.38976E+00 -0.14109E-01 7648 0.254E+01 0.230E-01 RMM: 2 -0.327547662341E+03 -0.25593E-01 -0.16418E-01 4732 0.975E-01 0.123E+00 RMM: 3 -0.327536572812E+03 0.11090E-01 -0.19450E-02 5609 0.286E-01 0.211E-01 RMM: 4 -0.327536131395E+03 0.44142E-03 -0.12106E-03 5111 0.721E-02 0.938E-02 RMM: 5 -0.327536074003E+03 0.57392E-04 -0.14848E-04 4289 0.335E-02 0.724E-02 RMM: 6 -0.327536053322E+03 0.20681E-04 -0.30564E-05 2596 0.164E-02 0.628E-02 RMM: 7 -0.327536073042E+03 -0.19721E-04 -0.90583E-05 3863 0.246E-02 2057 T= 7167. E= 0.67475920E+03 F= 0.62873292E+03 E0= 0.65737708E+03 EK= 0.58361E+02 SP= -.12E+02 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327058420230E+03 0.47763E+00 -0.12954E-01 7672 0.252E+01 0.303E-01 RMM: 2 -0.327083588020E+03 -0.25168E-01 -0.13352E-01 4800 0.910E-01 0.144E+00 RMM: 3 -0.327069235384E+03 0.14353E-01 -0.17149E-02 5447 0.294E-01 0.283E-01 RMM: 4 -0.327068728833E+03 0.50655E-03 -0.16842E-03 5100 0.892E-02 0.145E-01 RMM: 5 -0.327068720283E+03 0.85499E-05 -0.24912E-04 3901 0.374E-02 0.147E-01 RMM: 6 -0.327068575052E+03 0.14523E-03 -0.80370E-05 3537 0.258E-02 0.336E-02 RMM: 7 -0.327068580634E+03 -0.55824E-05 -0.20851E-05 2553 0.132E-02 2058 T= 7083. E= 0.67476530E+03 F= 0.62920041E+03 E0= 0.65785561E+03 EK= 0.57682E+02 SP= -.12E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326582443619E+03 0.48613E+00 -0.13869E-01 7608 0.249E+01 0.220E-01 RMM: 2 -0.326606875730E+03 -0.24432E-01 -0.17462E-01 4732 0.100E+00 0.111E+00 RMM: 3 -0.326597908171E+03 0.89676E-02 -0.20704E-02 5761 0.286E-01 0.209E-01 RMM: 4 -0.326597398797E+03 0.50937E-03 -0.11018E-03 4995 0.736E-02 0.983E-02 RMM: 5 -0.326597344510E+03 0.54287E-04 -0.15618E-04 4165 0.332E-02 0.807E-02 RMM: 6 -0.326597310686E+03 0.33824E-04 -0.36237E-05 2861 0.180E-02 0.550E-02 RMM: 7 -0.326597318040E+03 -0.73532E-05 -0.40782E-05 2816 0.182E-02 2059 T= 6997. E= 0.67477184E+03 F= 0.62967167E+03 E0= 0.65834553E+03 EK= 0.56979E+02 SP= -.12E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326197862894E+03 0.39945E+00 -0.12718E-01 7760 0.247E+01 0.193E-01 RMM: 2 -0.326215157336E+03 -0.17294E-01 -0.12896E-01 4863 0.854E-01 0.916E-01 RMM: 3 -0.326209069294E+03 0.60880E-02 -0.14486E-02 5814 0.246E-01 0.190E-01 RMM: 4 -0.326208732071E+03 0.33722E-03 -0.80447E-04 4728 0.652E-02 0.102E-01 RMM: 5 -0.326208674207E+03 0.57863E-04 -0.11917E-04 3802 0.302E-02 0.710E-02 RMM: 6 -0.326208648115E+03 0.26092E-04 -0.30269E-05 2703 0.168E-02 0.442E-02 RMM: 7 -0.326208653301E+03 -0.51863E-05 -0.22592E-05 2536 0.149E-02 2060 T= 6918. E= 0.67477679E+03 F= 0.63006034E+03 E0= 0.65875960E+03 EK= 0.56338E+02 SP= -.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325958598569E+03 0.25005E+00 -0.13588E-01 8064 0.244E+01 0.196E-01 RMM: 2 -0.325976829449E+03 -0.18231E-01 -0.14422E-01 4908 0.879E-01 0.869E-01 RMM: 3 -0.325971090944E+03 0.57385E-02 -0.15786E-02 5859 0.251E-01 0.175E-01 RMM: 4 -0.325970768031E+03 0.32291E-03 -0.81929E-04 4793 0.649E-02 0.113E-01 RMM: 5 -0.325970700630E+03 0.67400E-04 -0.12220E-04 3818 0.304E-02 0.819E-02 RMM: 6 -0.325970664150E+03 0.36480E-04 -0.34120E-05 2827 0.178E-02 0.474E-02 RMM: 7 -0.325970665175E+03 -0.10251E-05 -0.31662E-05 2617 0.167E-02 2061 T= 6856. E= 0.67477948E+03 F= 0.63029832E+03 E0= 0.65902691E+03 EK= 0.55832E+02 SP= -.11E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325905264827E+03 0.65399E-01 -0.14335E-01 8336 0.243E+01 0.182E-01 RMM: 2 -0.325922738989E+03 -0.17474E-01 -0.13672E-01 5063 0.837E-01 0.854E-01 RMM: 3 -0.325916964980E+03 0.57740E-02 -0.13288E-02 5823 0.233E-01 0.177E-01 RMM: 4 -0.325916668212E+03 0.29677E-03 -0.73805E-04 4745 0.613E-02 0.103E-01 RMM: 5 -0.325916608188E+03 0.60024E-04 -0.10543E-04 3729 0.290E-02 0.720E-02 RMM: 6 -0.325916583918E+03 0.24270E-04 -0.28433E-05 2660 0.162E-02 0.493E-02 RMM: 7 -0.325916588737E+03 -0.48194E-05 -0.26942E-05 2592 0.157E-02 2062 T= 6815. E= 0.67477894E+03 F= 0.63035240E+03 E0= 0.65911139E+03 EK= 0.55494E+02 SP= -.11E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326023763749E+03 -0.10718E+00 -0.15517E-01 8624 0.243E+01 0.182E-01 RMM: 2 -0.326040978514E+03 -0.17215E-01 -0.14485E-01 5091 0.844E-01 0.758E-01 RMM: 3 -0.326036103897E+03 0.48746E-02 -0.13630E-02 5866 0.233E-01 0.155E-01 RMM: 4 -0.326035850775E+03 0.25312E-03 -0.72488E-04 4837 0.598E-02 0.111E-01 RMM: 5 -0.326035781917E+03 0.68858E-04 -0.10000E-04 3702 0.277E-02 0.764E-02 RMM: 6 -0.326035753858E+03 0.28059E-04 -0.28424E-05 2615 0.164E-02 0.472E-02 RMM: 7 -0.326035757102E+03 -0.32439E-05 -0.29820E-05 2630 0.161E-02 2063 T= 6793. E= 0.67477516E+03 F= 0.63023323E+03 E0= 0.65902005E+03 EK= 0.55314E+02 SP= -.11E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326263807133E+03 -0.22805E+00 -0.16484E-01 8880 0.243E+01 0.184E-01 RMM: 2 -0.326282105984E+03 -0.18299E-01 -0.14686E-01 5220 0.823E-01 0.841E-01 RMM: 3 -0.326276196728E+03 0.59093E-02 -0.12756E-02 5897 0.222E-01 0.170E-01 RMM: 4 -0.326275901924E+03 0.29480E-03 -0.72495E-04 4740 0.601E-02 0.109E-01 RMM: 5 -0.326275831212E+03 0.70712E-04 -0.10669E-04 3739 0.284E-02 0.736E-02 RMM: 6 -0.326275806373E+03 0.24839E-04 -0.27561E-05 2640 0.158E-02 0.510E-02 RMM: 7 -0.326275809130E+03 -0.27577E-05 -0.26850E-05 2603 0.153E-02 2064 T= 6784. E= 0.67476924E+03 F= 0.62999318E+03 E0= 0.65880115E+03 EK= 0.55243E+02 SP= -.11E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326542248115E+03 -0.26644E+00 -0.18737E-01 8776 0.244E+01 0.179E-01 RMM: 2 -0.326561013485E+03 -0.18765E-01 -0.16286E-01 5293 0.863E-01 0.737E-01 RMM: 3 -0.326556158671E+03 0.48548E-02 -0.13292E-02 5960 0.227E-01 0.139E-01 RMM: 4 -0.326555929598E+03 0.22907E-03 -0.68788E-04 4865 0.574E-02 0.118E-01 RMM: 5 -0.326555846925E+03 0.82673E-04 -0.98851E-05 3676 0.278E-02 0.706E-02 RMM: 6 -0.326555827764E+03 0.19161E-04 -0.26961E-05 2583 0.156E-02 2065 T= 6778. E= 0.67476227E+03 F= 0.62971316E+03 E0= 0.65853242E+03 EK= 0.55199E+02 SP= -.10E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326771378662E+03 -0.21553E+00 -0.20065E-01 8944 0.246E+01 0.224E-01 RMM: 2 -0.326795372153E+03 -0.23993E-01 -0.16400E-01 5372 0.846E-01 0.114E+00 RMM: 3 -0.326785161529E+03 0.10211E-01 -0.13119E-02 5525 0.244E-01 0.218E-01 RMM: 4 -0.326784791239E+03 0.37029E-03 -0.10516E-03 5025 0.651E-02 0.102E-01 RMM: 5 -0.326784729436E+03 0.61803E-04 -0.11850E-04 3847 0.290E-02 0.788E-02 RMM: 6 -0.326784709250E+03 0.20186E-04 -0.30556E-05 2671 0.162E-02 0.702E-02 RMM: 7 -0.326784736385E+03 -0.27135E-04 -0.73140E-05 3609 0.225E-02 0.102E-01 RMM: 8 -0.326784674350E+03 0.62035E-04 -0.10468E-04 3880 0.222E-02 0.431E-02 RMM: 9 -0.326784667906E+03 0.64438E-05 -0.21507E-05 2592 0.131E-02 2066 T= 6765. E= 0.67475613E+03 F= 0.62948432E+03 E0= 0.65830380E+03 EK= 0.55094E+02 SP= -.10E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326872179951E+03 -0.87506E-01 -0.20546E-01 8952 0.247E+01 0.273E-01 RMM: 2 -0.326899053937E+03 -0.26874E-01 -0.16525E-01 5353 0.853E-01 0.134E+00 RMM: 3 -0.326885519288E+03 0.13535E-01 -0.13052E-02 5634 0.242E-01 0.233E-01 RMM: 4 -0.326885198168E+03 0.32112E-03 -0.14183E-03 4760 0.851E-02 0.168E-01 RMM: 5 -0.326885082398E+03 0.11577E-03 -0.23655E-04 3906 0.377E-02 0.123E-01 RMM: 6 -0.326884988126E+03 0.94272E-04 -0.63641E-05 3401 0.237E-02 0.389E-02 RMM: 7 -0.326885001611E+03 -0.13485E-04 -0.27597E-05 2619 0.152E-02 2067 T= 6736. E= 0.67475212E+03 F= 0.62938399E+03 E0= 0.65819085E+03 EK= 0.54854E+02 SP= -.97E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326805375515E+03 0.79613E-01 -0.21286E-01 9000 0.248E+01 0.185E-01 RMM: 2 -0.326824562269E+03 -0.19187E-01 -0.16069E-01 5626 0.828E-01 0.807E-01 RMM: 3 -0.326818974885E+03 0.55874E-02 -0.11345E-02 5950 0.208E-01 0.180E-01 RMM: 4 -0.326818654499E+03 0.32039E-03 -0.68478E-04 4919 0.548E-02 0.968E-02 RMM: 5 -0.326818595196E+03 0.59302E-04 -0.90516E-05 3675 0.239E-02 0.741E-02 RMM: 6 -0.326818576057E+03 0.19139E-04 -0.27861E-05 2646 0.158E-02 2068 T= 6685. E= 0.67475181E+03 F= 0.62945041E+03 E0= 0.65823500E+03 EK= 0.54443E+02 SP= -.94E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326593988288E+03 0.22461E+00 -0.20995E-01 8864 0.248E+01 0.279E-01 RMM: 2 -0.326624446096E+03 -0.30458E-01 -0.16867E-01 5322 0.878E-01 0.150E+00 RMM: 3 -0.326607996813E+03 0.16449E-01 -0.16104E-02 5455 0.272E-01 0.271E-01 RMM: 4 -0.326607407809E+03 0.58900E-03 -0.15220E-03 4902 0.780E-02 0.108E-01 RMM: 5 -0.326607339290E+03 0.68518E-04 -0.18147E-04 4462 0.296E-02 0.890E-02 RMM: 6 -0.326607303630E+03 0.35660E-04 -0.27691E-05 2649 0.157E-02 0.702E-02 RMM: 7 -0.326607318740E+03 -0.15109E-04 -0.49173E-05 3137 0.199E-02 2069 T= 6617. E= 0.67475560E+03 F= 0.62966167E+03 E0= 0.65841743E+03 EK= 0.53887E+02 SP= -.90E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326325816958E+03 0.28149E+00 -0.19653E-01 8976 0.247E+01 0.399E-01 RMM: 2 -0.326369613639E+03 -0.43797E-01 -0.17831E-01 5054 0.960E-01 0.202E+00 RMM: 3 -0.326340617790E+03 0.28996E-01 -0.24364E-02 5398 0.349E-01 0.484E-01 RMM: 4 -0.326338901855E+03 0.17159E-02 -0.30448E-03 5276 0.116E-01 0.124E-01 RMM: 5 -0.326338965601E+03 -0.63747E-04 -0.43495E-04 3936 0.455E-02 0.162E-01 RMM: 6 -0.326338791682E+03 0.17392E-03 -0.10134E-04 3733 0.277E-02 0.594E-02 RMM: 7 -0.326338785016E+03 0.66654E-05 -0.27713E-05 2763 0.151E-02 2070 T= 6542. E= 0.67476405E+03 F= 0.62993020E+03 E0= 0.65865435E+03 EK= 0.53278E+02 SP= -.87E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326139655466E+03 0.19914E+00 -0.18944E-01 8480 0.245E+01 0.360E-01 RMM: 2 -0.326183607110E+03 -0.43952E-01 -0.18310E-01 4972 0.989E-01 0.206E+00 RMM: 3 -0.326154764711E+03 0.28842E-01 -0.24328E-02 5425 0.351E-01 0.338E-01 RMM: 4 -0.326153940644E+03 0.82407E-03 -0.26127E-03 5534 0.928E-02 0.123E-01 RMM: 5 -0.326153836617E+03 0.10403E-03 -0.22297E-04 3921 0.362E-02 0.105E-01 RMM: 6 -0.326153774199E+03 0.62418E-04 -0.51933E-05 3219 0.203E-02 0.730E-02 RMM: 7 -0.326153792766E+03 -0.18567E-04 -0.54709E-05 3248 0.205E-02 2071 T= 6478. E= 0.67477343E+03 F= 0.63011520E+03 E0= 0.65880848E+03 EK= 0.52755E+02 SP= -.83E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326189862042E+03 -0.36088E-01 -0.14849E-01 8128 0.243E+01 0.374E-01 RMM: 2 -0.326225453022E+03 -0.35591E-01 -0.14710E-01 4945 0.917E-01 0.186E+00 RMM: 3 -0.326201769852E+03 0.23683E-01 -0.21997E-02 5412 0.342E-01 0.422E-01 RMM: 4 -0.326200458499E+03 0.13114E-02 -0.24486E-03 5257 0.993E-02 0.107E-01 RMM: 5 -0.326200452695E+03 0.58044E-05 -0.31717E-04 3930 0.395E-02 0.119E-01 RMM: 6 -0.326200357621E+03 0.95074E-04 -0.62789E-05 3389 0.227E-02 0.481E-02 RMM: 7 -0.326200353569E+03 0.40521E-05 -0.18244E-05 2536 0.128E-02 2072 T= 6442. E= 0.67477948E+03 F= 0.63006864E+03 E0= 0.65873559E+03 EK= 0.52464E+02 SP= -.80E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326563479958E+03 -0.36312E+00 -0.13011E-01 7648 0.242E+01 0.255E-01 RMM: 2 -0.326586974327E+03 -0.23494E-01 -0.11950E-01 4853 0.819E-01 0.139E+00 RMM: 3 -0.326573465530E+03 0.13509E-01 -0.15000E-02 5439 0.271E-01 0.238E-01 RMM: 4 -0.326573060003E+03 0.40553E-03 -0.13948E-03 5153 0.709E-02 0.983E-02 RMM: 5 -0.326573004863E+03 0.55140E-04 -0.14845E-04 3840 0.328E-02 0.858E-02 RMM: 6 -0.326572957522E+03 0.47341E-04 -0.34100E-05 2843 0.172E-02 0.497E-02 RMM: 7 -0.326572957202E+03 0.32059E-06 -0.23309E-05 2563 0.149E-02 2073 T= 6446. E= 0.67477979E+03 F= 0.62969603E+03 E0= 0.65834261E+03 EK= 0.52496E+02 SP= -.76E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327265373346E+03 -0.69242E+00 -0.11865E-01 7632 0.243E+01 0.273E-01 RMM: 2 -0.327285257901E+03 -0.19885E-01 -0.10924E-01 4868 0.804E-01 0.129E+00 RMM: 3 -0.327273954456E+03 0.11303E-01 -0.13951E-02 5431 0.266E-01 0.257E-01 RMM: 4 -0.327273451944E+03 0.50251E-03 -0.12811E-03 4975 0.694E-02 0.739E-02 RMM: 5 -0.327273474900E+03 -0.22956E-04 -0.16883E-04 3885 0.345E-02 0.108E-01 RMM: 6 -0.327273397148E+03 0.77751E-04 -0.45169E-05 3144 0.199E-02 0.327E-02 RMM: 7 -0.327273398025E+03 -0.87649E-06 -0.15690E-05 2502 0.127E-02 2074 T= 6490. E= 0.67477371E+03 F= 0.62899559E+03 E0= 0.65762876E+03 EK= 0.52850E+02 SP= -.73E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328201134743E+03 -0.92774E+00 -0.12230E-01 7888 0.244E+01 0.210E-01 RMM: 2 -0.328217992069E+03 -0.16857E-01 -0.10251E-01 5005 0.741E-01 0.107E+00 RMM: 3 -0.328209699103E+03 0.82930E-02 -0.11277E-02 5551 0.225E-01 0.211E-01 RMM: 4 -0.328209379923E+03 0.31918E-03 -0.94413E-04 4750 0.642E-02 0.103E-01 RMM: 5 -0.328209311881E+03 0.68041E-04 -0.12296E-04 3847 0.282E-02 0.746E-02 RMM: 6 -0.328209281264E+03 0.30617E-04 -0.25646E-05 2607 0.151E-02 0.481E-02 RMM: 7 -0.328209279165E+03 0.20988E-05 -0.22993E-05 2572 0.145E-02 2075 T= 6562. E= 0.67476375E+03 F= 0.62805971E+03 E0= 0.65668690E+03 EK= 0.53434E+02 SP= -.70E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329222838208E+03 -0.10136E+01 -0.14212E-01 8504 0.246E+01 0.227E-01 RMM: 2 -0.329243112866E+03 -0.20275E-01 -0.14524E-01 4928 0.873E-01 0.106E+00 RMM: 3 -0.329235164257E+03 0.79486E-02 -0.16424E-02 5734 0.255E-01 0.199E-01 RMM: 4 -0.329234762840E+03 0.40142E-03 -0.10681E-03 5058 0.678E-02 0.114E-01 RMM: 5 -0.329234688944E+03 0.73896E-04 -0.13777E-04 3857 0.311E-02 0.858E-02 RMM: 6 -0.329234656387E+03 0.32556E-04 -0.32332E-05 2754 0.169E-02 0.608E-02 RMM: 7 -0.329234648343E+03 0.80442E-05 -0.30596E-05 2641 0.165E-02 2076 T= 6643. E= 0.67475378E+03 F= 0.62703434E+03 E0= 0.65566174E+03 EK= 0.54100E+02 SP= -.66E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330194061288E+03 -0.95940E+00 -0.15544E-01 8720 0.247E+01 0.229E-01 RMM: 2 -0.330217495802E+03 -0.23435E-01 -0.15903E-01 5058 0.882E-01 0.116E+00 RMM: 3 -0.330207676435E+03 0.98194E-02 -0.16954E-02 5753 0.253E-01 0.225E-01 RMM: 4 -0.330207182287E+03 0.49415E-03 -0.11140E-03 4798 0.721E-02 0.120E-01 RMM: 5 -0.330207086143E+03 0.96144E-04 -0.14916E-04 4028 0.302E-02 0.859E-02 RMM: 6 -0.330207064586E+03 0.21557E-04 -0.27573E-05 2593 0.155E-02 0.737E-02 RMM: 7 -0.330207049645E+03 0.14941E-04 -0.46418E-05 2940 0.188E-02 2077 T= 6718. E= 0.67474612E+03 F= 0.62606194E+03 E0= 0.65469298E+03 EK= 0.54706E+02 SP= -.63E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331011530699E+03 -0.80447E+00 -0.15978E-01 9112 0.247E+01 0.217E-01 RMM: 2 -0.331031973092E+03 -0.20442E-01 -0.15582E-01 5278 0.835E-01 0.989E-01 RMM: 3 -0.331024437403E+03 0.75357E-02 -0.14173E-02 5821 0.229E-01 0.190E-01 RMM: 4 -0.331024100974E+03 0.33643E-03 -0.91371E-04 4828 0.652E-02 0.135E-01 RMM: 5 -0.331023985229E+03 0.11575E-03 -0.13149E-04 3838 0.292E-02 0.861E-02 RMM: 6 -0.331023958211E+03 0.27018E-04 -0.30418E-05 2760 0.167E-02 0.684E-02 RMM: 7 -0.331023940589E+03 0.17622E-04 -0.49413E-05 2864 0.188E-02 2078 T= 6772. E= 0.67474172E+03 F= 0.62524505E+03 E0= 0.65388128E+03 EK= 0.55148E+02 SP= -.59E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331620351392E+03 -0.59639E+00 -0.17232E-01 8952 0.247E+01 0.208E-01 RMM: 2 -0.331643046573E+03 -0.22695E-01 -0.17068E-01 5273 0.860E-01 0.103E+00 RMM: 3 -0.331634519495E+03 0.85271E-02 -0.14921E-02 5843 0.234E-01 0.196E-01 RMM: 4 -0.331634159029E+03 0.36047E-03 -0.97216E-04 4790 0.673E-02 0.124E-01 RMM: 5 -0.331634058092E+03 0.10094E-03 -0.13803E-04 3829 0.293E-02 0.823E-02 RMM: 6 -0.331634034289E+03 0.23803E-04 -0.28264E-05 2690 0.158E-02 0.671E-02 RMM: 7 -0.331634024341E+03 0.99475E-05 -0.42747E-05 2818 0.179E-02 2079 T= 6800. E= 0.67474020E+03 F= 0.62463496E+03 E0= 0.65327491E+03 EK= 0.55372E+02 SP= -.55E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332016869179E+03 -0.38283E+00 -0.17601E-01 8808 0.246E+01 0.180E-01 RMM: 2 -0.332035909485E+03 -0.19040E-01 -0.15911E-01 5557 0.803E-01 0.803E-01 RMM: 3 -0.332029929490E+03 0.59800E-02 -0.10463E-02 5740 0.207E-01 0.160E-01 RMM: 4 -0.332029752479E+03 0.17701E-03 -0.81109E-04 4848 0.581E-02 0.115E-01 RMM: 5 -0.332029661770E+03 0.90709E-04 -0.10136E-04 3693 0.257E-02 0.738E-02 RMM: 6 -0.332029641914E+03 0.19857E-04 -0.27082E-05 2630 0.154E-02 2080 T= 6800. E= 0.67474072E+03 F= 0.62423935E+03 E0= 0.65288093E+03 EK= 0.55372E+02 SP= -.52E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332216085020E+03 -0.18642E+00 -0.18774E-01 8616 0.245E+01 0.207E-01 RMM: 2 -0.332239674585E+03 -0.23590E-01 -0.16500E-01 5578 0.826E-01 0.109E+00 RMM: 3 -0.332229890694E+03 0.97839E-02 -0.10876E-02 5477 0.228E-01 0.221E-01 RMM: 4 -0.332229543831E+03 0.34686E-03 -0.99119E-04 4949 0.635E-02 0.872E-02 RMM: 5 -0.332229491202E+03 0.52630E-04 -0.97258E-05 3947 0.249E-02 0.768E-02 RMM: 6 -0.332229474002E+03 0.17200E-04 -0.22421E-05 2549 0.143E-02 2081 T= 6774. E= 0.67474217E+03 F= 0.62403952E+03 E0= 0.65267959E+03 EK= 0.55165E+02 SP= -.48E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332252717937E+03 -0.23227E-01 -0.18701E-01 8624 0.244E+01 0.361E-01 RMM: 2 -0.332297725581E+03 -0.45008E-01 -0.16566E-01 5240 0.875E-01 0.210E+00 RMM: 3 -0.332265771655E+03 0.31954E-01 -0.18216E-02 5356 0.319E-01 0.355E-01 RMM: 4 -0.332264847794E+03 0.92386E-03 -0.21802E-03 5106 0.943E-02 0.953E-02 RMM: 5 -0.332264808409E+03 0.39385E-04 -0.23922E-04 4531 0.310E-02 0.918E-02 RMM: 6 -0.332264761326E+03 0.47083E-04 -0.29772E-05 2672 0.165E-02 0.603E-02 RMM: 7 -0.332264788751E+03 -0.27425E-04 -0.48978E-05 3195 0.190E-02 0.965E-02 RMM: 8 -0.332264737421E+03 0.51331E-04 -0.12073E-04 3882 0.244E-02 0.488E-02 RMM: 9 -0.332264725818E+03 0.11602E-04 -0.20581E-05 2598 0.121E-02 2082 T= 6728. E= 0.67474412E+03 F= 0.62400426E+03 E0= 0.65264045E+03 EK= 0.54786E+02 SP= -.44E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332159285893E+03 0.10545E+00 -0.18082E-01 8656 0.242E+01 0.292E-01 RMM: 2 -0.332188860006E+03 -0.29574E-01 -0.16238E-01 5284 0.831E-01 0.148E+00 RMM: 3 -0.332172250630E+03 0.16609E-01 -0.13635E-02 5389 0.269E-01 0.272E-01 RMM: 4 -0.332171937768E+03 0.31286E-03 -0.18337E-03 5089 0.944E-02 0.201E-01 RMM: 5 -0.332171827760E+03 0.11001E-03 -0.31414E-04 3930 0.451E-02 0.154E-01 RMM: 6 -0.332171666509E+03 0.16125E-03 -0.92841E-05 3644 0.279E-02 0.414E-02 RMM: 7 -0.332171679881E+03 -0.13372E-04 -0.33315E-05 2856 0.169E-02 2083 T= 6665. E= 0.67474649E+03 F= 0.62409731E+03 E0= 0.65272742E+03 EK= 0.54273E+02 SP= -.40E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331974302486E+03 0.19736E+00 -0.17108E-01 8728 0.241E+01 0.212E-01 RMM: 2 -0.331998529961E+03 -0.24227E-01 -0.15323E-01 5356 0.829E-01 0.122E+00 RMM: 3 -0.331987111419E+03 0.11419E-01 -0.12762E-02 5522 0.241E-01 0.184E-01 RMM: 4 -0.331986834210E+03 0.27721E-03 -0.10110E-03 5053 0.630E-02 0.794E-02 RMM: 5 -0.331986793396E+03 0.40814E-04 -0.99249E-05 3889 0.262E-02 0.749E-02 RMM: 6 -0.331986762936E+03 0.30461E-04 -0.25554E-05 2567 0.152E-02 0.445E-02 RMM: 7 -0.331986765432E+03 -0.24961E-05 -0.43460E-05 2994 0.182E-02 2084 T= 6590. E= 0.67474882E+03 F= 0.62428222E+03 E0= 0.65290513E+03 EK= 0.53666E+02 SP= -.36E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331737831347E+03 0.24893E+00 -0.15580E-01 8760 0.240E+01 0.163E-01 RMM: 2 -0.331754769460E+03 -0.16938E-01 -0.14361E-01 5168 0.812E-01 0.729E-01 RMM: 3 -0.331750068314E+03 0.47011E-02 -0.12493E-02 6031 0.214E-01 0.152E-01 RMM: 4 -0.331749768509E+03 0.29981E-03 -0.62819E-04 4718 0.568E-02 0.961E-02 RMM: 5 -0.331749706817E+03 0.61692E-04 -0.84766E-05 3542 0.257E-02 0.603E-02 RMM: 6 -0.331749692352E+03 0.14464E-04 -0.22831E-05 2555 0.144E-02 2085 T= 6509. E= 0.67475109E+03 F= 0.62451930E+03 E0= 0.65313478E+03 EK= 0.53008E+02 SP= -.31E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331492260217E+03 0.25745E+00 -0.14187E-01 8632 0.239E+01 0.205E-01 RMM: 2 -0.331512263994E+03 -0.20004E-01 -0.13047E-01 5280 0.788E-01 0.108E+00 RMM: 3 -0.331503204422E+03 0.90596E-02 -0.11850E-02 5532 0.228E-01 0.191E-01 RMM: 4 -0.331502892037E+03 0.31238E-03 -0.89741E-04 5035 0.600E-02 0.887E-02 RMM: 5 -0.331502845799E+03 0.46238E-04 -0.90425E-05 3727 0.252E-02 0.738E-02 RMM: 6 -0.331502826909E+03 0.18891E-04 -0.22035E-05 2548 0.140E-02 2086 T= 6428. E= 0.67475401E+03 F= 0.62476616E+03 E0= 0.65337479E+03 EK= 0.52346E+02 SP= -.27E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331280997767E+03 0.22185E+00 -0.11927E-01 8432 0.238E+01 0.359E-01 RMM: 2 -0.331313356024E+03 -0.32358E-01 -0.11340E-01 5140 0.785E-01 0.185E+00 RMM: 3 -0.331289643571E+03 0.23712E-01 -0.16337E-02 5351 0.309E-01 0.384E-01 RMM: 4 -0.331288572616E+03 0.10710E-02 -0.19090E-03 4903 0.906E-02 0.865E-02 RMM: 5 -0.331288556956E+03 0.15660E-04 -0.21549E-04 4215 0.311E-02 0.906E-02 RMM: 6 -0.331288514837E+03 0.42119E-04 -0.26739E-05 2637 0.157E-02 0.586E-02 RMM: 7 -0.331288533448E+03 -0.18610E-04 -0.30027E-05 2749 0.167E-02 2087 T= 6352. E= 0.67475639E+03 F= 0.62498046E+03 E0= 0.65358405E+03 EK= 0.51724E+02 SP= -.23E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331135720989E+03 0.15279E+00 -0.11218E-01 8144 0.237E+01 0.340E-01 RMM: 2 -0.331168109637E+03 -0.32389E-01 -0.10347E-01 5166 0.734E-01 0.190E+00 RMM: 3 -0.331143617214E+03 0.24492E-01 -0.14851E-02 5357 0.291E-01 0.349E-01 RMM: 4 -0.331142857893E+03 0.75932E-03 -0.19462E-03 4919 0.937E-02 0.139E-01 RMM: 5 -0.331142942993E+03 -0.85100E-04 -0.31566E-04 3905 0.431E-02 0.178E-01 RMM: 6 -0.331142728869E+03 0.21412E-03 -0.10737E-04 3750 0.302E-02 0.409E-02 RMM: 7 -0.331142723713E+03 0.51558E-05 -0.20426E-05 2562 0.134E-02 2088 T= 6285. E= 0.67475848E+03 F= 0.62512627E+03 E0= 0.65372672E+03 EK= 0.51180E+02 SP= -.19E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331080897909E+03 0.61831E-01 -0.11018E-01 7720 0.236E+01 0.254E-01 RMM: 2 -0.331102449932E+03 -0.21552E-01 -0.10555E-01 5080 0.750E-01 0.136E+00 RMM: 3 -0.331089546688E+03 0.12903E-01 -0.12174E-02 5405 0.247E-01 0.268E-01 RMM: 4 -0.331089046221E+03 0.50047E-03 -0.11536E-03 4783 0.690E-02 0.780E-02 RMM: 5 -0.331089013192E+03 0.33029E-04 -0.14155E-04 3864 0.303E-02 0.785E-02 RMM: 6 -0.331088973845E+03 0.39347E-04 -0.28815E-05 2685 0.159E-02 0.453E-02 RMM: 7 -0.331088972801E+03 0.10445E-05 -0.18654E-05 2520 0.134E-02 2089 T= 6231. E= 0.67475968E+03 F= 0.62518002E+03 E0= 0.65377946E+03 EK= 0.50739E+02 SP= -.15E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331129028425E+03 -0.40055E-01 -0.10513E-01 7784 0.235E+01 0.181E-01 RMM: 2 -0.331141090727E+03 -0.12062E-01 -0.80713E-02 5151 0.650E-01 0.873E-01 RMM: 3 -0.331135636390E+03 0.54543E-02 -0.78245E-03 5546 0.186E-01 0.169E-01 RMM: 4 -0.331135428163E+03 0.20823E-03 -0.61017E-04 4759 0.515E-02 0.790E-02 RMM: 5 -0.331135402413E+03 0.25750E-04 -0.83742E-05 3613 0.245E-02 0.680E-02 RMM: 6 -0.331135376373E+03 0.26040E-04 -0.23219E-05 2608 0.147E-02 0.355E-02 RMM: 7 -0.331135380927E+03 -0.45543E-05 -0.16911E-05 2508 0.127E-02 2090 T= 6190. E= 0.67475983E+03 F= 0.62513361E+03 E0= 0.65373359E+03 EK= 0.50410E+02 SP= -.11E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331270050641E+03 -0.13467E+00 -0.11414E-01 7592 0.234E+01 0.213E-01 RMM: 2 -0.331285302034E+03 -0.15251E-01 -0.10640E-01 4981 0.754E-01 0.951E-01 RMM: 3 -0.331278806369E+03 0.64957E-02 -0.11589E-02 5685 0.219E-01 0.169E-01 RMM: 4 -0.331278563858E+03 0.24251E-03 -0.81800E-04 4744 0.615E-02 0.110E-01 RMM: 5 -0.331278501350E+03 0.62508E-04 -0.12050E-04 3795 0.276E-02 0.840E-02 RMM: 6 -0.331278458101E+03 0.43249E-04 -0.31660E-05 2858 0.172E-02 0.361E-02 RMM: 7 -0.331278457304E+03 0.79768E-06 -0.15886E-05 2499 0.123E-02 2091 T= 6163. E= 0.67475974E+03 F= 0.62499053E+03 E0= 0.65359202E+03 EK= 0.50191E+02 SP= -.70E+00 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331504279927E+03 -0.22582E+00 -0.11284E-01 8144 0.233E+01 0.182E-01 RMM: 2 -0.331517424192E+03 -0.13144E-01 -0.91037E-02 5325 0.669E-01 0.877E-01 RMM: 3 -0.331511652058E+03 0.57721E-02 -0.82976E-03 5700 0.186E-01 0.184E-01 RMM: 4 -0.331511395492E+03 0.25657E-03 -0.62303E-04 4770 0.529E-02 0.850E-02 RMM: 5 -0.331511353538E+03 0.41953E-04 -0.80654E-05 3578 0.229E-02 0.702E-02 RMM: 6 -0.331511333064E+03 0.20474E-04 -0.20725E-05 2556 0.140E-02 0.496E-02 RMM: 7 -0.331511335079E+03 -0.20151E-05 -0.25110E-05 2589 0.147E-02 2092 T= 6149. E= 0.67475966E+03 F= 0.62475765E+03 E0= 0.65336082E+03 EK= 0.50075E+02 SP= -.34E+00 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331825243710E+03 -0.31391E+00 -0.11351E-01 8416 0.233E+01 0.197E-01 RMM: 2 -0.331838940721E+03 -0.13697E-01 -0.99799E-02 5278 0.695E-01 0.870E-01 RMM: 3 -0.331833246387E+03 0.56943E-02 -0.92211E-03 5799 0.194E-01 0.183E-01 RMM: 4 -0.331833006207E+03 0.24018E-03 -0.70251E-04 4686 0.574E-02 0.109E-01 RMM: 5 -0.331832940868E+03 0.65339E-04 -0.10296E-04 3671 0.251E-02 0.813E-02 RMM: 6 -0.331832904255E+03 0.36613E-04 -0.27332E-05 2791 0.165E-02 0.407E-02 RMM: 7 -0.331832904384E+03 -0.12968E-06 -0.14218E-05 2499 0.114E-02 2093 T= 6147. E= 0.67476006E+03 F= 0.62443608E+03 E0= 0.65304051E+03 EK= 0.50061E+02 SP= 0.19E-01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332240627100E+03 -0.40772E+00 -0.11905E-01 8824 0.232E+01 0.178E-01 RMM: 2 -0.332255106711E+03 -0.14480E-01 -0.11051E-01 5262 0.723E-01 0.829E-01 RMM: 3 -0.332249804628E+03 0.53021E-02 -0.10633E-02 5845 0.199E-01 0.171E-01 RMM: 4 -0.332249540082E+03 0.26455E-03 -0.66539E-04 4786 0.549E-02 0.959E-02 RMM: 5 -0.332249480931E+03 0.59151E-04 -0.91355E-05 3614 0.240E-02 0.699E-02 RMM: 6 -0.332249460339E+03 0.20592E-04 -0.20611E-05 2553 0.138E-02 0.503E-02 RMM: 7 -0.332249456924E+03 0.34148E-05 -0.22866E-05 2575 0.139E-02 2094 T= 6159. E= 0.67476049E+03 F= 0.62401953E+03 E0= 0.65262398E+03 EK= 0.50155E+02 SP= 0.36E+00 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332759647477E+03 -0.51019E+00 -0.12609E-01 8872 0.231E+01 0.173E-01 RMM: 2 -0.332773583958E+03 -0.13936E-01 -0.11336E-01 5303 0.720E-01 0.751E-01 RMM: 3 -0.332768906526E+03 0.46774E-02 -0.10264E-02 5915 0.197E-01 0.162E-01 RMM: 4 -0.332768690669E+03 0.21586E-03 -0.66331E-04 4696 0.547E-02 0.995E-02 RMM: 5 -0.332768632937E+03 0.57731E-04 -0.91643E-05 3555 0.241E-02 0.743E-02 RMM: 6 -0.332768605844E+03 0.27094E-04 -0.25060E-05 2603 0.155E-02 0.435E-02 RMM: 7 -0.332768605822E+03 0.22106E-07 -0.16860E-05 2518 0.124E-02 2095 T= 6184. E= 0.67476040E+03 F= 0.62350038E+03 E0= 0.65210355E+03 EK= 0.50363E+02 SP= 0.69E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333383462251E+03 -0.61486E+00 -0.13249E-01 8976 0.231E+01 0.164E-01 RMM: 2 -0.333397478262E+03 -0.14016E-01 -0.11531E-01 5478 0.699E-01 0.728E-01 RMM: 3 -0.333392692425E+03 0.47858E-02 -0.91792E-03 5892 0.185E-01 0.139E-01 RMM: 4 -0.333392557070E+03 0.13536E-03 -0.63448E-04 4591 0.520E-02 0.110E-01 RMM: 5 -0.333392478001E+03 0.79069E-04 -0.89968E-05 3557 0.249E-02 0.620E-02 RMM: 6 -0.333392461084E+03 0.16917E-04 -0.22278E-05 2557 0.138E-02 2096 T= 6224. E= 0.67475975E+03 F= 0.62287653E+03 E0= 0.65147659E+03 EK= 0.50684E+02 SP= 0.10E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334100839788E+03 -0.70836E+00 -0.13939E-01 8848 0.231E+01 0.178E-01 RMM: 2 -0.334118007360E+03 -0.17168E-01 -0.12454E-01 5421 0.734E-01 0.927E-01 RMM: 3 -0.334111200647E+03 0.68067E-02 -0.11149E-02 5667 0.211E-01 0.197E-01 RMM: 4 -0.334110916419E+03 0.28423E-03 -0.83391E-04 4856 0.575E-02 0.776E-02 RMM: 5 -0.334110882253E+03 0.34165E-04 -0.91115E-05 3662 0.227E-02 0.672E-02 RMM: 6 -0.334110868940E+03 0.13313E-04 -0.20974E-05 2530 0.129E-02 2097 T= 6276. E= 0.67475725E+03 F= 0.62215812E+03 E0= 0.65075339E+03 EK= 0.51106E+02 SP= 0.13E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334884839755E+03 -0.77396E+00 -0.14272E-01 8864 0.232E+01 0.267E-01 RMM: 2 -0.334913216598E+03 -0.28377E-01 -0.12815E-01 5210 0.778E-01 0.158E+00 RMM: 3 -0.334895329903E+03 0.17887E-01 -0.14909E-02 5426 0.267E-01 0.261E-01 RMM: 4 -0.334894844769E+03 0.48513E-03 -0.14676E-03 4799 0.769E-02 0.829E-02 RMM: 5 -0.334894807307E+03 0.37462E-04 -0.16980E-04 4388 0.282E-02 0.749E-02 RMM: 6 -0.334894785112E+03 0.22195E-04 -0.24963E-05 2560 0.150E-02 0.559E-02 RMM: 7 -0.334894804273E+03 -0.19161E-04 -0.42505E-05 2995 0.186E-02 2098 T= 6336. E= 0.67475387E+03 F= 0.62137419E+03 E0= 0.64996296E+03 EK= 0.51598E+02 SP= 0.16E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335689789349E+03 -0.79500E+00 -0.14710E-01 8976 0.233E+01 0.247E-01 RMM: 2 -0.335711685243E+03 -0.21896E-01 -0.13796E-01 5168 0.793E-01 0.118E+00 RMM: 3 -0.335701112235E+03 0.10573E-01 -0.13424E-02 5505 0.246E-01 0.242E-01 RMM: 4 -0.335700755109E+03 0.35713E-03 -0.13832E-03 4738 0.806E-02 0.141E-01 RMM: 5 -0.335700730274E+03 0.24835E-04 -0.24325E-04 3887 0.399E-02 0.126E-01 RMM: 6 -0.335700625043E+03 0.10523E-03 -0.70698E-05 3445 0.247E-02 0.343E-02 RMM: 7 -0.335700632199E+03 -0.71556E-05 -0.19470E-05 2543 0.135E-02 2099 T= 6400. E= 0.67475027E+03 F= 0.62056836E+03 E0= 0.64915059E+03 EK= 0.52116E+02 SP= 0.19E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336461298464E+03 -0.76067E+00 -0.15020E-01 8840 0.234E+01 0.195E-01 RMM: 2 -0.336480614285E+03 -0.19316E-01 -0.15217E-01 5182 0.830E-01 0.896E-01 RMM: 3 -0.336474157647E+03 0.64566E-02 -0.13024E-02 5852 0.225E-01 0.136E-01 RMM: 4 -0.336473919216E+03 0.23843E-03 -0.77609E-04 4943 0.591E-02 0.118E-01 RMM: 5 -0.336473829624E+03 0.89591E-04 -0.10864E-04 3754 0.281E-02 0.668E-02 RMM: 6 -0.336473804221E+03 0.25403E-04 -0.26854E-05 2579 0.154E-02 0.378E-02 RMM: 7 -0.336473802164E+03 0.20571E-05 -0.20907E-05 2534 0.135E-02 2100 T= 6459. E= 0.67474619E+03 F= 0.61979519E+03 E0= 0.64836878E+03 EK= 0.52601E+02 SP= 0.22E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337143894900E+03 -0.67009E+00 -0.14607E-01 8888 0.236E+01 0.148E-01 RMM: 2 -0.337159489524E+03 -0.15595E-01 -0.13689E-01 5165 0.797E-01 0.652E-01 RMM: 3 -0.337155723665E+03 0.37659E-02 -0.11621E-02 6169 0.203E-01 0.128E-01 RMM: 4 -0.337155442252E+03 0.28141E-03 -0.52525E-04 4597 0.523E-02 0.878E-02 RMM: 5 -0.337155392096E+03 0.50155E-04 -0.76718E-05 3464 0.262E-02 0.531E-02 RMM: 6 -0.337155381309E+03 0.10787E-04 -0.22285E-05 2544 0.139E-02 2101 T= 6507. E= 0.67474186E+03 F= 0.61911361E+03 E0= 0.64767835E+03 EK= 0.52993E+02 SP= 0.25E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337677902871E+03 -0.52251E+00 -0.14315E-01 8568 0.237E+01 0.200E-01 RMM: 2 -0.337700452651E+03 -0.22550E-01 -0.15286E-01 5015 0.853E-01 0.112E+00 RMM: 3 -0.337691215453E+03 0.92372E-02 -0.14966E-02 5736 0.240E-01 0.213E-01 RMM: 4 -0.337690736703E+03 0.47875E-03 -0.95280E-04 4801 0.672E-02 0.880E-02 RMM: 5 -0.337690687197E+03 0.49506E-04 -0.12959E-04 4020 0.284E-02 0.647E-02 RMM: 6 -0.337690665886E+03 0.21311E-04 -0.23969E-05 2561 0.144E-02 0.468E-02 RMM: 7 -0.337690665177E+03 0.70911E-06 -0.21487E-05 2529 0.146E-02 2102 T= 6538. E= 0.67473785E+03 F= 0.61857832E+03 E0= 0.64713381E+03 EK= 0.53238E+02 SP= 0.28E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338026003833E+03 -0.33534E+00 -0.13306E-01 8680 0.238E+01 0.208E-01 RMM: 2 -0.338044421307E+03 -0.18417E-01 -0.12329E-01 4993 0.780E-01 0.105E+00 RMM: 3 -0.338036404071E+03 0.80172E-02 -0.12295E-02 5779 0.224E-01 0.203E-01 RMM: 4 -0.338036042560E+03 0.36151E-03 -0.92496E-04 4673 0.681E-02 0.990E-02 RMM: 5 -0.338036013170E+03 0.29390E-04 -0.13788E-04 3826 0.292E-02 0.894E-02 RMM: 6 -0.338035964730E+03 0.48440E-04 -0.31810E-05 2875 0.175E-02 0.318E-02 RMM: 7 -0.338035967484E+03 -0.27542E-05 -0.16811E-05 2500 0.129E-02 2103 T= 6544. E= 0.67473591E+03 F= 0.61823302E+03 E0= 0.64677952E+03 EK= 0.53292E+02 SP= 0.30E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338152431587E+03 -0.11647E+00 -0.14022E-01 8080 0.239E+01 0.169E-01 RMM: 2 -0.338170806131E+03 -0.18375E-01 -0.15467E-01 4843 0.902E-01 0.770E-01 RMM: 3 -0.338166164611E+03 0.46415E-02 -0.16513E-02 6078 0.233E-01 0.138E-01 RMM: 4 -0.338165788579E+03 0.37603E-03 -0.69213E-04 4893 0.612E-02 0.106E-01 RMM: 5 -0.338165715728E+03 0.72851E-04 -0.99201E-05 3644 0.287E-02 0.601E-02 RMM: 6 -0.338165698029E+03 0.17700E-04 -0.26391E-05 2568 0.154E-02 2104 T= 6524. E= 0.67473531E+03 F= 0.61810329E+03 E0= 0.64664159E+03 EK= 0.53131E+02 SP= 0.33E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338063147063E+03 0.10257E+00 -0.12432E-01 8328 0.239E+01 0.171E-01 RMM: 2 -0.338077466087E+03 -0.14319E-01 -0.98276E-02 5175 0.685E-01 0.896E-01 RMM: 3 -0.338071228621E+03 0.62375E-02 -0.91000E-03 5619 0.196E-01 0.164E-01 RMM: 4 -0.338070993709E+03 0.23491E-03 -0.64704E-04 4936 0.512E-02 0.726E-02 RMM: 5 -0.338070953126E+03 0.40583E-04 -0.59382E-05 3325 0.217E-02 0.610E-02 RMM: 6 -0.338070939642E+03 0.13484E-04 -0.18924E-05 2520 0.133E-02 2105 T= 6477. E= 0.67473620E+03 F= 0.61819805E+03 E0= 0.64672949E+03 EK= 0.52747E+02 SP= 0.36E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337754036581E+03 0.31692E+00 -0.12121E-01 8016 0.238E+01 0.302E-01 RMM: 2 -0.337781282792E+03 -0.27246E-01 -0.11202E-01 4827 0.791E-01 0.162E+00 RMM: 3 -0.337763055023E+03 0.18228E-01 -0.15399E-02 5402 0.284E-01 0.298E-01 RMM: 4 -0.337762373965E+03 0.68106E-03 -0.15848E-03 4874 0.797E-02 0.755E-02 RMM: 5 -0.337762349876E+03 0.24089E-04 -0.17237E-04 4149 0.299E-02 0.784E-02 RMM: 6 -0.337762312231E+03 0.37645E-04 -0.24896E-05 2592 0.148E-02 0.470E-02 RMM: 7 -0.337762312654E+03 -0.42254E-06 -0.17735E-05 2511 0.136E-02 2106 T= 6405. E= 0.67473850E+03 F= 0.61850668E+03 E0= 0.64703314E+03 EK= 0.52155E+02 SP= 0.39E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337261758541E+03 0.50055E+00 -0.11607E-01 7928 0.237E+01 0.258E-01 RMM: 2 -0.337282078557E+03 -0.20320E-01 -0.84732E-02 5008 0.667E-01 0.139E+00 RMM: 3 -0.337268584716E+03 0.13494E-01 -0.10731E-02 5388 0.235E-01 0.275E-01 RMM: 4 -0.337268099946E+03 0.48477E-03 -0.13116E-03 4728 0.783E-02 0.123E-01 RMM: 5 -0.337268116819E+03 -0.16873E-04 -0.21213E-04 3888 0.379E-02 0.132E-01 RMM: 6 -0.337267993254E+03 0.12357E-03 -0.61485E-05 3340 0.235E-02 0.301E-02 RMM: 7 -0.337267993668E+03 -0.41462E-06 -0.17430E-05 2520 0.128E-02 2107 T= 6310. E= 0.67474216E+03 F= 0.61900100E+03 E0= 0.64752295E+03 EK= 0.51385E+02 SP= 0.42E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336624476297E+03 0.64352E+00 -0.11566E-01 7744 0.236E+01 0.218E-01 RMM: 2 -0.336641858689E+03 -0.17382E-01 -0.90574E-02 4968 0.707E-01 0.120E+00 RMM: 3 -0.336631901066E+03 0.99576E-02 -0.10599E-02 5473 0.221E-01 0.199E-01 RMM: 4 -0.336631596473E+03 0.30459E-03 -0.88331E-04 4831 0.608E-02 0.774E-02 RMM: 5 -0.336631561795E+03 0.34677E-04 -0.10566E-04 3773 0.264E-02 0.741E-02 RMM: 6 -0.336631528745E+03 0.33051E-04 -0.24734E-05 2588 0.151E-02 0.402E-02 RMM: 7 -0.336631527353E+03 0.13919E-05 -0.14325E-05 2493 0.119E-02 2108 T= 6200. E= 0.67474699E+03 F= 0.61963746E+03 E0= 0.64815476E+03 EK= 0.50486E+02 SP= 0.45E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335905825532E+03 0.72570E+00 -0.10928E-01 7712 0.234E+01 0.140E-01 RMM: 2 -0.335914299362E+03 -0.84738E-02 -0.64924E-02 5076 0.587E-01 0.657E-01 RMM: 3 -0.335911263218E+03 0.30361E-02 -0.64665E-03 5769 0.157E-01 0.137E-01 RMM: 4 -0.335911100423E+03 0.16279E-03 -0.39549E-04 4312 0.447E-02 0.797E-02 RMM: 5 -0.335911059210E+03 0.41213E-04 -0.52982E-05 3228 0.217E-02 0.520E-02 RMM: 6 -0.335911046638E+03 0.12572E-04 -0.18524E-05 2516 0.132E-02 2109 T= 6081. E= 0.67475252E+03 F= 0.62035794E+03 E0= 0.64886807E+03 EK= 0.49519E+02 SP= 0.47E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335171326129E+03 0.73973E+00 -0.10762E-01 7456 0.232E+01 0.201E-01 RMM: 2 -0.335185429091E+03 -0.14103E-01 -0.72850E-02 5041 0.638E-01 0.108E+00 RMM: 3 -0.335177191653E+03 0.82374E-02 -0.84152E-03 5452 0.200E-01 0.174E-01 RMM: 4 -0.335176972526E+03 0.21913E-03 -0.73231E-04 4727 0.557E-02 0.847E-02 RMM: 5 -0.335176930523E+03 0.42003E-04 -0.85267E-05 3744 0.241E-02 0.687E-02 RMM: 6 -0.335176904506E+03 0.26017E-04 -0.20736E-05 2543 0.137E-02 0.470E-02 RMM: 7 -0.335176903057E+03 0.14493E-05 -0.18748E-05 2511 0.134E-02 2110 T= 5963. E= 0.67475817E+03 F= 0.62109209E+03 E0= 0.64959115E+03 EK= 0.48558E+02 SP= 0.50E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334502175058E+03 0.67473E+00 -0.10458E-01 7416 0.229E+01 0.190E-01 RMM: 2 -0.334512430569E+03 -0.10256E-01 -0.58362E-02 5085 0.584E-01 0.898E-01 RMM: 3 -0.334506805758E+03 0.56248E-02 -0.65017E-03 5452 0.175E-01 0.178E-01 RMM: 4 -0.334506626281E+03 0.17948E-03 -0.66688E-04 4617 0.568E-02 0.104E-01 RMM: 5 -0.334506598703E+03 0.27578E-04 -0.10425E-04 3752 0.268E-02 0.874E-02 RMM: 6 -0.334506547291E+03 0.51412E-04 -0.25746E-05 2698 0.162E-02 0.238E-02 RMM: 7 -0.334506550969E+03 -0.36780E-05 -0.12317E-05 2484 0.107E-02 2111 T= 5856. E= 0.67476390E+03 F= 0.62176244E+03 E0= 0.65024519E+03 EK= 0.47685E+02 SP= 0.52E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333969390997E+03 0.53716E+00 -0.10676E-01 7616 0.227E+01 0.196E-01 RMM: 2 -0.333983422760E+03 -0.14032E-01 -0.83462E-02 4923 0.704E-01 0.104E+00 RMM: 3 -0.333976316708E+03 0.71061E-02 -0.97839E-03 5633 0.200E-01 0.168E-01 RMM: 4 -0.333976068277E+03 0.24843E-03 -0.69631E-04 4708 0.576E-02 0.931E-02 RMM: 5 -0.333976018491E+03 0.49787E-04 -0.99869E-05 3735 0.266E-02 0.685E-02 RMM: 6 -0.333975990270E+03 0.28220E-04 -0.24992E-05 2561 0.149E-02 0.394E-02 RMM: 7 -0.333975988565E+03 0.17052E-05 -0.16084E-05 2487 0.124E-02 2112 T= 5769. E= 0.67476874E+03 F= 0.62229300E+03 E0= 0.65075463E+03 EK= 0.46975E+02 SP= 0.54E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333641457382E+03 0.33453E+00 -0.10185E-01 7616 0.225E+01 0.132E-01 RMM: 2 -0.333648950312E+03 -0.74929E-02 -0.59687E-02 5025 0.586E-01 0.592E-01 RMM: 3 -0.333646495121E+03 0.24552E-02 -0.63955E-03 5737 0.154E-01 0.125E-01 RMM: 4 -0.333646347034E+03 0.14809E-03 -0.35509E-04 4336 0.434E-02 0.727E-02 RMM: 5 -0.333646316536E+03 0.30499E-04 -0.49538E-05 3182 0.209E-02 0.536E-02 RMM: 6 -0.333646302887E+03 0.13649E-04 -0.18971E-05 2512 0.133E-02 2113 T= 5709. E= 0.67477158E+03 F= 0.62262269E+03 E0= 0.65105862E+03 EK= 0.46492E+02 SP= 0.56E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333542993247E+03 0.10332E+00 -0.10717E-01 7696 0.224E+01 0.176E-01 RMM: 2 -0.333556420427E+03 -0.13427E-01 -0.94625E-02 4773 0.741E-01 0.869E-01 RMM: 3 -0.333551144137E+03 0.52763E-02 -0.11241E-02 5659 0.209E-01 0.142E-01 RMM: 4 -0.333550907052E+03 0.23709E-03 -0.69339E-04 4909 0.561E-02 0.805E-02 RMM: 5 -0.333550865412E+03 0.41640E-04 -0.85808E-05 3734 0.249E-02 0.572E-02 RMM: 6 -0.333550849750E+03 0.15662E-04 -0.21084E-05 2528 0.136E-02 2114 T= 5682. E= 0.67477197E+03 F= 0.62271814E+03 E0= 0.65112643E+03 EK= 0.46268E+02 SP= 0.58E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333681583358E+03 -0.13072E+00 -0.10559E-01 7744 0.224E+01 0.221E-01 RMM: 2 -0.333699377808E+03 -0.17794E-01 -0.79003E-02 4981 0.669E-01 0.127E+00 RMM: 3 -0.333688007485E+03 0.11370E-01 -0.94498E-03 5400 0.218E-01 0.222E-01 RMM: 4 -0.333687644298E+03 0.36319E-03 -0.95451E-04 4695 0.637E-02 0.771E-02 RMM: 5 -0.333687622809E+03 0.21489E-04 -0.11309E-04 3925 0.264E-02 0.696E-02 RMM: 6 -0.333687593315E+03 0.29494E-04 -0.21082E-05 2552 0.134E-02 0.450E-02 RMM: 7 -0.333687598783E+03 -0.54677E-05 -0.27931E-05 2670 0.163E-02 2115 T= 5686. E= 0.67476964E+03 F= 0.62258139E+03 E0= 0.65096262E+03 EK= 0.46301E+02 SP= 0.59E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334015283432E+03 -0.32769E+00 -0.10710E-01 8192 0.224E+01 0.240E-01 RMM: 2 -0.334032769452E+03 -0.17486E-01 -0.84673E-02 4977 0.679E-01 0.125E+00 RMM: 3 -0.334022003397E+03 0.10766E-01 -0.10236E-02 5437 0.223E-01 0.237E-01 RMM: 4 -0.334021628466E+03 0.37493E-03 -0.11219E-03 4682 0.733E-02 0.102E-01 RMM: 5 -0.334021649363E+03 -0.20897E-04 -0.17229E-04 3888 0.321E-02 0.124E-01 RMM: 6 -0.334021544805E+03 0.10456E-03 -0.49491E-05 3217 0.215E-02 0.286E-02 RMM: 7 -0.334021547643E+03 -0.28381E-05 -0.17098E-05 2516 0.128E-02 2116 T= 5717. E= 0.67476569E+03 F= 0.62224744E+03 E0= 0.65060549E+03 EK= 0.46557E+02 SP= 0.60E+01 SK= 0.97E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334487375660E+03 -0.46583E+00 -0.11067E-01 8352 0.226E+01 0.181E-01 RMM: 2 -0.334502937285E+03 -0.15562E-01 -0.95307E-02 5058 0.682E-01 0.103E+00 RMM: 3 -0.334495285952E+03 0.76513E-02 -0.93320E-03 5535 0.200E-01 0.172E-01 RMM: 4 -0.334495052380E+03 0.23357E-03 -0.73204E-04 4741 0.568E-02 0.887E-02 RMM: 5 -0.334494998106E+03 0.54274E-04 -0.92285E-05 3745 0.248E-02 0.652E-02 RMM: 6 -0.334494975043E+03 0.23063E-04 -0.21581E-05 2554 0.139E-02 0.478E-02 RMM: 7 -0.334494969282E+03 0.57611E-05 -0.24166E-05 2592 0.147E-02 2117 T= 5769. E= 0.67476099E+03 F= 0.62177402E+03 E0= 0.65011506E+03 EK= 0.46978E+02 SP= 0.60E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335032068122E+03 -0.53709E+00 -0.11421E-01 8752 0.227E+01 0.154E-01 RMM: 2 -0.335043423445E+03 -0.11355E-01 -0.91842E-02 5129 0.659E-01 0.688E-01 RMM: 3 -0.335039877986E+03 0.35455E-02 -0.90081E-03 5872 0.182E-01 0.170E-01 RMM: 4 -0.335039607784E+03 0.27020E-03 -0.53475E-04 4502 0.498E-02 0.723E-02 RMM: 5 -0.335039577740E+03 0.30044E-04 -0.71358E-05 3448 0.224E-02 0.613E-02 RMM: 6 -0.335039561543E+03 0.16197E-04 -0.19806E-05 2537 0.138E-02 2118 T= 5832. E= 0.67475612E+03 F= 0.62122943E+03 E0= 0.64956200E+03 EK= 0.47494E+02 SP= 0.60E+01 SK= 0.38E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335576922048E+03 -0.53734E+00 -0.13332E-01 8560 0.229E+01 0.187E-01 RMM: 2 -0.335595103583E+03 -0.18182E-01 -0.13379E-01 4957 0.805E-01 0.934E-01 RMM: 3 -0.335588445543E+03 0.66580E-02 -0.13796E-02 5776 0.225E-01 0.168E-01 RMM: 4 -0.335588092517E+03 0.35303E-03 -0.80445E-04 4992 0.588E-02 0.887E-02 RMM: 5 -0.335588041778E+03 0.50739E-04 -0.91193E-05 3820 0.245E-02 0.704E-02 RMM: 6 -0.335588027835E+03 0.13943E-04 -0.19903E-05 2532 0.132E-02 2119 T= 5899. E= 0.67475260E+03 F= 0.62068096E+03 E0= 0.64901412E+03 EK= 0.48038E+02 SP= 0.60E+01 SK= 0.22E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336077207482E+03 -0.48917E+00 -0.13726E-01 8800 0.230E+01 0.299E-01 RMM: 2 -0.336104659504E+03 -0.27452E-01 -0.12296E-01 5073 0.772E-01 0.156E+00 RMM: 3 -0.336087272094E+03 0.17387E-01 -0.15714E-02 5407 0.280E-01 0.321E-01 RMM: 4 -0.336086481078E+03 0.79102E-03 -0.16245E-03 4796 0.833E-02 0.870E-02 RMM: 5 -0.336086455518E+03 0.25560E-04 -0.20229E-04 4289 0.307E-02 0.849E-02 RMM: 6 -0.336086414523E+03 0.40995E-04 -0.25144E-05 2599 0.151E-02 0.550E-02 RMM: 7 -0.336086423486E+03 -0.89627E-05 -0.26411E-05 2648 0.159E-02 2120 T= 5962. E= 0.67475002E+03 F= 0.62018257E+03 E0= 0.64852559E+03 EK= 0.48554E+02 SP= 0.60E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336485896214E+03 -0.39948E+00 -0.15772E-01 8840 0.232E+01 0.273E-01 RMM: 2 -0.336511315787E+03 -0.25420E-01 -0.14639E-01 4995 0.810E-01 0.134E+00 RMM: 3 -0.336497880088E+03 0.13436E-01 -0.14766E-02 5452 0.262E-01 0.251E-01 RMM: 4 -0.336497483155E+03 0.39693E-03 -0.15564E-03 4814 0.847E-02 0.144E-01 RMM: 5 -0.336497466652E+03 0.16503E-04 -0.24665E-04 3911 0.376E-02 0.142E-01 RMM: 6 -0.336497333270E+03 0.13338E-03 -0.85015E-05 3583 0.268E-02 0.365E-02 RMM: 7 -0.336497338444E+03 -0.51741E-05 -0.21700E-05 2571 0.141E-02 2121 T= 6017. E= 0.67474845E+03 F= 0.61977165E+03 E0= 0.64813100E+03 EK= 0.49003E+02 SP= 0.60E+01 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336786209868E+03 -0.28888E+00 -0.17556E-01 8840 0.232E+01 0.212E-01 RMM: 2 -0.336807534092E+03 -0.21324E-01 -0.15583E-01 5172 0.812E-01 0.103E+00 RMM: 3 -0.336799282392E+03 0.82517E-02 -0.13165E-02 5758 0.229E-01 0.201E-01 RMM: 4 -0.336798898511E+03 0.38388E-03 -0.91912E-04 4881 0.633E-02 0.945E-02 RMM: 5 -0.336798851357E+03 0.47154E-04 -0.12816E-04 3830 0.293E-02 0.766E-02 RMM: 6 -0.336798815054E+03 0.36303E-04 -0.32829E-05 2892 0.169E-02 0.442E-02 RMM: 7 -0.336798820958E+03 -0.59042E-05 -0.37390E-05 2719 0.178E-02 2122 T= 6061. E= 0.67474763E+03 F= 0.61947017E+03 E0= 0.64784854E+03 EK= 0.49360E+02 SP= 0.59E+01 SK= 0.97E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336968485181E+03 -0.16967E+00 -0.18725E-01 8816 0.233E+01 0.169E-01 RMM: 2 -0.336987060921E+03 -0.18576E-01 -0.15823E-01 5386 0.803E-01 0.734E-01 RMM: 3 -0.336981968138E+03 0.50928E-02 -0.11158E-02 5968 0.203E-01 0.139E-01 RMM: 4 -0.336981760418E+03 0.20772E-03 -0.64669E-04 4709 0.562E-02 0.117E-01 RMM: 5 -0.336981675316E+03 0.85102E-04 -0.10188E-04 3658 0.273E-02 0.602E-02 RMM: 6 -0.336981658054E+03 0.17262E-04 -0.26944E-05 2693 0.157E-02 2123 T= 6093. E= 0.67474709E+03 F= 0.61928733E+03 E0= 0.64768608E+03 EK= 0.49615E+02 SP= 0.58E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337028965048E+03 -0.47290E-01 -0.19543E-01 8744 0.233E+01 0.206E-01 RMM: 2 -0.337053091547E+03 -0.24126E-01 -0.17056E-01 5583 0.810E-01 0.107E+00 RMM: 3 -0.337043441330E+03 0.96502E-02 -0.12386E-02 5506 0.230E-01 0.211E-01 RMM: 4 -0.337043090314E+03 0.35102E-03 -0.10370E-03 4868 0.669E-02 0.954E-02 RMM: 5 -0.337043034688E+03 0.55626E-04 -0.13496E-04 4077 0.281E-02 0.739E-02 RMM: 6 -0.337043007469E+03 0.27219E-04 -0.32429E-05 2871 0.172E-02 0.478E-02 RMM: 7 -0.337043027635E+03 -0.20167E-04 -0.32587E-05 2679 0.163E-02 0.805E-02 RMM: 8 -0.337042985051E+03 0.42585E-04 -0.48461E-05 3056 0.184E-02 0.267E-02 RMM: 9 -0.337042984867E+03 0.18351E-06 -0.14641E-05 2477 0.108E-02 2124 T= 6111. E= 0.67474716E+03 F= 0.61922600E+03 E0= 0.64764279E+03 EK= 0.49765E+02 SP= 0.57E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336970189834E+03 0.72795E-01 -0.20538E-01 8760 0.233E+01 0.258E-01 RMM: 2 -0.336997893385E+03 -0.27704E-01 -0.17541E-01 5217 0.844E-01 0.131E+00 RMM: 3 -0.336984645518E+03 0.13248E-01 -0.13644E-02 5623 0.241E-01 0.212E-01 RMM: 4 -0.336984343728E+03 0.30179E-03 -0.13564E-03 4746 0.822E-02 0.149E-01 RMM: 5 -0.336984238458E+03 0.10527E-03 -0.21241E-04 3893 0.358E-02 0.929E-02 RMM: 6 -0.336984183678E+03 0.54780E-04 -0.45653E-05 3125 0.202E-02 0.322E-02 RMM: 7 -0.336984195111E+03 -0.11433E-04 -0.23524E-05 2549 0.146E-02 2125 T= 6116. E= 0.67474719E+03 F= 0.61928479E+03 E0= 0.64771526E+03 EK= 0.49808E+02 SP= 0.56E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336792897200E+03 0.19129E+00 -0.21935E-01 8832 0.233E+01 0.157E-01 RMM: 2 -0.336812808633E+03 -0.19911E-01 -0.18131E-01 5617 0.851E-01 0.607E-01 RMM: 3 -0.336808739460E+03 0.40692E-02 -0.12730E-02 6061 0.207E-01 0.138E-01 RMM: 4 -0.336808460132E+03 0.27933E-03 -0.63499E-04 4653 0.571E-02 0.109E-01 RMM: 5 -0.336808380464E+03 0.79668E-04 -0.97329E-05 3648 0.277E-02 0.542E-02 RMM: 6 -0.336808376373E+03 0.40907E-05 -0.26531E-05 2590 0.151E-02 2126 T= 6109. E= 0.67474720E+03 F= 0.61946061E+03 E0= 0.64789929E+03 EK= 0.49748E+02 SP= 0.55E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336503285305E+03 0.30510E+00 -0.22615E-01 8704 0.232E+01 0.246E-01 RMM: 2 -0.336530965259E+03 -0.27680E-01 -0.18923E-01 5309 0.881E-01 0.121E+00 RMM: 3 -0.336519259947E+03 0.11705E-01 -0.15067E-02 5541 0.258E-01 0.236E-01 RMM: 4 -0.336518791130E+03 0.46882E-03 -0.12651E-03 4889 0.726E-02 0.947E-02 RMM: 5 -0.336518756505E+03 0.34626E-04 -0.16163E-04 4179 0.306E-02 0.828E-02 RMM: 6 -0.336518719318E+03 0.37186E-04 -0.34485E-05 2890 0.176E-02 0.476E-02 RMM: 7 -0.336518733692E+03 -0.14374E-04 -0.26851E-05 2595 0.157E-02 2127 T= 6089. E= 0.67474759E+03 F= 0.61975026E+03 E0= 0.64819154E+03 EK= 0.49588E+02 SP= 0.54E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336105623744E+03 0.41310E+00 -0.21754E-01 8808 0.232E+01 0.258E-01 RMM: 2 -0.336133801916E+03 -0.28178E-01 -0.18209E-01 5265 0.868E-01 0.129E+00 RMM: 3 -0.336120820309E+03 0.12982E-01 -0.14736E-02 5485 0.258E-01 0.257E-01 RMM: 4 -0.336120328771E+03 0.49154E-03 -0.14457E-03 4825 0.809E-02 0.119E-01 RMM: 5 -0.336120310383E+03 0.18388E-04 -0.21362E-04 3903 0.363E-02 0.112E-01 RMM: 6 -0.336120227271E+03 0.83112E-04 -0.60050E-05 3325 0.224E-02 0.342E-02 RMM: 7 -0.336120236126E+03 -0.88553E-05 -0.20104E-05 2540 0.137E-02 2128 T= 6058. E= 0.67474834E+03 F= 0.62014875E+03 E0= 0.64858741E+03 EK= 0.49334E+02 SP= 0.52E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335609612675E+03 0.51061E+00 -0.21712E-01 8888 0.231E+01 0.226E-01 RMM: 2 -0.335634088255E+03 -0.24476E-01 -0.18144E-01 5268 0.876E-01 0.107E+00 RMM: 3 -0.335624904202E+03 0.91841E-02 -0.15062E-02 5697 0.247E-01 0.183E-01 RMM: 4 -0.335624564257E+03 0.33994E-03 -0.10415E-03 5002 0.656E-02 0.104E-01 RMM: 5 -0.335624511934E+03 0.52323E-04 -0.13703E-04 3887 0.298E-02 0.827E-02 RMM: 6 -0.335624471953E+03 0.39981E-04 -0.37753E-05 2980 0.181E-02 0.432E-02 RMM: 7 -0.335624491560E+03 -0.19607E-04 -0.35307E-05 2673 0.169E-02 2129 T= 6017. E= 0.67474964E+03 F= 0.62064450E+03 E0= 0.64907543E+03 EK= 0.48998E+02 SP= 0.50E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335039030055E+03 0.58544E+00 -0.20891E-01 8880 0.230E+01 0.170E-01 RMM: 2 -0.335059543032E+03 -0.20513E-01 -0.18166E-01 5277 0.898E-01 0.699E-01 RMM: 3 -0.335055128159E+03 0.44149E-02 -0.15815E-02 6113 0.226E-01 0.155E-01 RMM: 4 -0.335054745252E+03 0.38291E-03 -0.75058E-04 4777 0.613E-02 0.104E-01 RMM: 5 -0.335054680412E+03 0.64840E-04 -0.10973E-04 3712 0.277E-02 0.661E-02 RMM: 6 -0.335054659162E+03 0.21250E-04 -0.27777E-05 2650 0.158E-02 0.411E-02 RMM: 7 -0.335054667061E+03 -0.78982E-05 -0.25082E-05 2578 0.151E-02 2130 T= 5969. E= 0.67475215E+03 F= 0.62121432E+03 E0= 0.64963315E+03 EK= 0.48605E+02 SP= 0.49E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334429776814E+03 0.62488E+00 -0.20164E-01 8720 0.229E+01 0.168E-01 RMM: 2 -0.334452502800E+03 -0.22726E-01 -0.20545E-01 5027 0.993E-01 0.692E-01 RMM: 3 -0.334448221548E+03 0.42813E-02 -0.19700E-02 6323 0.243E-01 0.140E-01 RMM: 4 -0.334447748783E+03 0.47277E-03 -0.79185E-04 4848 0.651E-02 0.102E-01 RMM: 5 -0.334447688491E+03 0.60291E-04 -0.10956E-04 3771 0.275E-02 0.680E-02 RMM: 6 -0.334447668492E+03 0.19999E-04 -0.28774E-05 2601 0.162E-02 2131 T= 5918. E= 0.67475571E+03 F= 0.62182132E+03 E0= 0.65022640E+03 EK= 0.48193E+02 SP= 0.46E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333838607669E+03 0.60908E+00 -0.16999E-01 8696 0.228E+01 0.242E-01 RMM: 2 -0.333866098216E+03 -0.27491E-01 -0.17218E-01 4969 0.918E-01 0.130E+00 RMM: 3 -0.333853496817E+03 0.12601E-01 -0.17307E-02 5636 0.267E-01 0.212E-01 RMM: 4 -0.333853048870E+03 0.44795E-03 -0.12842E-03 5088 0.717E-02 0.902E-02 RMM: 5 -0.333853006811E+03 0.42059E-04 -0.14572E-04 4173 0.288E-02 0.748E-02 RMM: 6 -0.333852980740E+03 0.26071E-04 -0.26860E-05 2611 0.151E-02 0.567E-02 RMM: 7 -0.333852999302E+03 -0.18563E-04 -0.40622E-05 3034 0.188E-02 2132 T= 5871. E= 0.67475910E+03 F= 0.62241599E+03 E0= 0.65080560E+03 EK= 0.47812E+02 SP= 0.44E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333310759191E+03 0.54222E+00 -0.14053E-01 8760 0.227E+01 0.259E-01 RMM: 2 -0.333336146996E+03 -0.25388E-01 -0.13474E-01 4968 0.807E-01 0.140E+00 RMM: 3 -0.333322028405E+03 0.14119E-01 -0.14313E-02 5480 0.257E-01 0.243E-01 RMM: 4 -0.333321580336E+03 0.44807E-03 -0.13749E-03 4774 0.765E-02 0.936E-02 RMM: 5 -0.333321586927E+03 -0.65912E-05 -0.17982E-04 4007 0.315E-02 2133 T= 5835. E= 0.67476266E+03 F= 0.62294740E+03 E0= 0.65132166E+03 EK= 0.47514E+02 SP= 0.42E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332877644411E+03 0.44394E+00 -0.12517E-01 8672 0.227E+01 0.183E-01 RMM: 2 -0.332894944834E+03 -0.17300E-01 -0.11528E-01 5127 0.750E-01 0.100E+00 RMM: 3 -0.332887585110E+03 0.73597E-02 -0.10951E-02 5696 0.211E-01 0.173E-01 RMM: 4 -0.332887306824E+03 0.27829E-03 -0.72268E-04 5265 0.526E-02 0.907E-02 RMM: 5 -0.332887256334E+03 0.50491E-04 -0.69499E-05 3401 0.233E-02 0.777E-02 RMM: 6 -0.332887247875E+03 0.84583E-05 -0.36084E-05 2854 0.173E-02 2134 T= 5812. E= 0.67476432E+03 F= 0.62338174E+03 E0= 0.65174080E+03 EK= 0.47333E+02 SP= 0.39E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332543959848E+03 0.34330E+00 -0.11175E-01 8016 0.227E+01 0.379E-01 RMM: 2 -0.332587972323E+03 -0.44012E-01 -0.11820E-01 4843 0.817E-01 0.225E+00 RMM: 3 -0.332552662111E+03 0.35310E-01 -0.19698E-02 5361 0.339E-01 0.294E-01 RMM: 4 -0.332552034518E+03 0.62759E-03 -0.22343E-03 5167 0.871E-02 0.907E-02 RMM: 5 -0.332552023606E+03 0.10912E-04 -0.21156E-04 3918 0.348E-02 0.104E-01 RMM: 6 -0.332551952360E+03 0.71246E-04 -0.41715E-05 3085 0.190E-02 0.401E-02 RMM: 7 -0.332551949414E+03 0.29451E-05 -0.16983E-05 2520 0.130E-02 2135 T= 5805. E= 0.67476264E+03 F= 0.62371704E+03 E0= 0.65206254E+03 EK= 0.47271E+02 SP= 0.36E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332276833294E+03 0.27512E+00 -0.10290E-01 8088 0.228E+01 0.376E-01 RMM: 2 -0.332316297761E+03 -0.39464E-01 -0.95547E-02 5128 0.741E-01 0.218E+00 RMM: 3 -0.332283345199E+03 0.32953E-01 -0.17123E-02 5345 0.328E-01 0.333E-01 RMM: 4 -0.332282543683E+03 0.80152E-03 -0.19053E-03 4834 0.878E-02 0.948E-02 RMM: 5 -0.332282542942E+03 0.74081E-06 -0.22539E-04 3902 0.364E-02 0.115E-01 RMM: 6 -0.332282451602E+03 0.91340E-04 -0.55643E-05 3275 0.219E-02 0.422E-02 RMM: 7 -0.332282447642E+03 0.39596E-05 -0.18680E-05 2529 0.132E-02 2136 T= 5808. E= 0.67475959E+03 F= 0.62398654E+03 E0= 0.65232078E+03 EK= 0.47297E+02 SP= 0.32E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332015576979E+03 0.26687E+00 -0.10164E-01 8128 0.229E+01 0.246E-01 RMM: 2 -0.332036152784E+03 -0.20576E-01 -0.81347E-02 4977 0.683E-01 0.143E+00 RMM: 3 -0.332022035873E+03 0.14117E-01 -0.10384E-02 5386 0.234E-01 0.239E-01 RMM: 4 -0.332021620890E+03 0.41498E-03 -0.10804E-03 4732 0.661E-02 0.788E-02 RMM: 5 -0.332021609176E+03 0.11714E-04 -0.13235E-04 3847 0.300E-02 2137 T= 5815. E= 0.67475632E+03 F= 0.62424738E+03 E0= 0.65257378E+03 EK= 0.47356E+02 SP= 0.29E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331702259391E+03 0.31936E+00 -0.98024E-02 8024 0.230E+01 0.132E-01 RMM: 2 -0.331711079907E+03 -0.88205E-02 -0.66810E-02 5166 0.595E-01 0.647E-01 RMM: 3 -0.331707954145E+03 0.31258E-02 -0.64083E-03 5605 0.158E-01 0.129E-01 RMM: 4 -0.331707823748E+03 0.13040E-03 -0.38581E-04 4427 0.406E-02 0.817E-02 RMM: 5 -0.331707777222E+03 0.46527E-04 -0.39559E-05 2812 0.189E-02 0.642E-02 RMM: 6 -0.331707769828E+03 0.73939E-05 -0.26011E-05 2594 0.152E-02 2138 T= 5819. E= 0.67475424E+03 F= 0.62456122E+03 E0= 0.65288265E+03 EK= 0.47386E+02 SP= 0.25E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331291989492E+03 0.41579E+00 -0.10316E-01 7832 0.230E+01 0.295E-01 RMM: 2 -0.331318732364E+03 -0.26743E-01 -0.82844E-02 4964 0.687E-01 0.171E+00 RMM: 3 -0.331298227672E+03 0.20505E-01 -0.12301E-02 5358 0.263E-01 0.257E-01 RMM: 4 -0.331297773091E+03 0.45458E-03 -0.13674E-03 4827 0.715E-02 0.876E-02 RMM: 5 -0.331297784183E+03 -0.11092E-04 -0.16836E-04 3872 0.331E-02 2139 T= 5814. E= 0.67475481E+03 F= 0.62497121E+03 E0= 0.65329176E+03 EK= 0.47346E+02 SP= 0.21E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330772938863E+03 0.52483E+00 -0.10349E-01 7624 0.230E+01 0.258E-01 RMM: 2 -0.330797903903E+03 -0.24965E-01 -0.81156E-02 5135 0.665E-01 0.163E+00 RMM: 3 -0.330779266561E+03 0.18637E-01 -0.10847E-02 5361 0.244E-01 0.231E-01 RMM: 4 -0.330778894588E+03 0.37197E-03 -0.11624E-03 4797 0.665E-02 0.105E-01 RMM: 5 -0.330778828798E+03 0.65789E-04 -0.12879E-04 3855 0.303E-02 0.799E-02 RMM: 6 -0.330778790171E+03 0.38627E-04 -0.31963E-05 2802 0.168E-02 0.528E-02 RMM: 7 -0.330778797872E+03 -0.77008E-05 -0.38062E-05 2900 0.172E-02 2140 T= 5799. E= 0.67475781E+03 F= 0.62549019E+03 E0= 0.65381364E+03 EK= 0.47222E+02 SP= 0.16E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330168778352E+03 0.61001E+00 -0.10226E-01 7752 0.229E+01 0.234E-01 RMM: 2 -0.330185595585E+03 -0.16817E-01 -0.73741E-02 5022 0.638E-01 0.126E+00 RMM: 3 -0.330174494380E+03 0.11101E-01 -0.89665E-03 5423 0.211E-01 0.204E-01 RMM: 4 -0.330174243477E+03 0.25090E-03 -0.91442E-04 4680 0.623E-02 0.103E-01 RMM: 5 -0.330174218720E+03 0.24757E-04 -0.12684E-04 3838 0.284E-02 0.905E-02 RMM: 6 -0.330174164200E+03 0.54520E-04 -0.33943E-05 2978 0.179E-02 0.215E-02 RMM: 7 -0.330174164188E+03 0.11683E-07 -0.98165E-06 2479 0.976E-03 2141 T= 5776. E= 0.67476250E+03 F= 0.62609483E+03 E0= 0.65442423E+03 EK= 0.47037E+02 SP= 0.12E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329534879329E+03 0.63928E+00 -0.10245E-01 7664 0.228E+01 0.148E-01 RMM: 2 -0.329545414598E+03 -0.10535E-01 -0.83095E-02 5053 0.657E-01 0.682E-01 RMM: 3 -0.329541968945E+03 0.34457E-02 -0.83984E-03 5720 0.178E-01 0.138E-01 RMM: 4 -0.329541797157E+03 0.17179E-03 -0.48492E-04 4430 0.490E-02 0.974E-02 RMM: 5 -0.329541713751E+03 0.83406E-04 -0.70083E-05 3443 0.232E-02 0.563E-02 RMM: 6 -0.329541698280E+03 0.15471E-04 -0.19978E-05 2526 0.132E-02 2142 T= 5753. E= 0.67476897E+03 F= 0.62672729E+03 E0= 0.65506579E+03 EK= 0.46849E+02 SP= 0.67E+00 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328957053092E+03 0.58466E+00 -0.10208E-01 7584 0.226E+01 0.205E-01 RMM: 2 -0.328972325905E+03 -0.15273E-01 -0.92963E-02 4963 0.710E-01 0.102E+00 RMM: 3 -0.328964929324E+03 0.73966E-02 -0.10885E-02 5543 0.214E-01 0.209E-01 RMM: 4 -0.328964551612E+03 0.37771E-03 -0.80854E-04 4754 0.599E-02 0.761E-02 RMM: 5 -0.328964521167E+03 0.30445E-04 -0.10092E-04 3902 0.249E-02 0.747E-02 RMM: 6 -0.328964491396E+03 0.29771E-04 -0.27136E-05 2584 0.156E-02 0.533E-02 RMM: 7 -0.328964519992E+03 -0.28596E-04 -0.49503E-05 3192 0.196E-02 0.941E-02 RMM: 8 -0.328964460187E+03 0.59805E-04 -0.84711E-05 3879 0.208E-02 0.346E-02 RMM: 9 -0.328964453685E+03 0.65015E-05 -0.11133E-05 2495 0.956E-03 2143 T= 5740. E= 0.67477556E+03 F= 0.62730454E+03 E0= 0.65565587E+03 EK= 0.46740E+02 SP= 0.15E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328529524728E+03 0.43494E+00 -0.10170E-01 7696 0.225E+01 0.241E-01 RMM: 2 -0.328545297750E+03 -0.15773E-01 -0.87576E-02 5034 0.676E-01 0.114E+00 RMM: 3 -0.328536171942E+03 0.91258E-02 -0.92843E-03 5514 0.206E-01 0.182E-01 RMM: 4 -0.328536200895E+03 -0.28952E-04 -0.11259E-03 4679 0.772E-02 0.214E-01 RMM: 5 -0.328535993331E+03 0.20756E-03 -0.21953E-04 3883 0.382E-02 0.130E-01 RMM: 6 -0.328535873708E+03 0.11962E-03 -0.70242E-05 3459 0.252E-02 0.279E-02 RMM: 7 -0.328535875914E+03 -0.22060E-05 -0.17192E-05 2514 0.125E-02 2144 T= 5748. E= 0.67478197E+03 F= 0.62773311E+03 E0= 0.65610127E+03 EK= 0.46805E+02 SP= -.40E+00 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328335954568E+03 0.19992E+00 -0.10460E-01 7960 0.224E+01 0.175E-01 RMM: 2 -0.328349038605E+03 -0.13084E-01 -0.93850E-02 5053 0.698E-01 0.842E-01 RMM: 3 -0.328343922107E+03 0.51165E-02 -0.97954E-03 5736 0.198E-01 0.173E-01 RMM: 4 -0.328343640552E+03 0.28156E-03 -0.59894E-04 4829 0.520E-02 0.658E-02 RMM: 5 -0.328343613776E+03 0.26776E-04 -0.68954E-05 3497 0.222E-02 0.634E-02 RMM: 6 -0.328343595897E+03 0.17879E-04 -0.20467E-05 2531 0.137E-02 2145 T= 5788. E= 0.67478674E+03 F= 0.62792539E+03 E0= 0.65631496E+03 EK= 0.47133E+02 SP= -.98E+00 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328443782599E+03 -0.10017E+00 -0.10855E-01 7944 0.225E+01 0.198E-01 RMM: 2 -0.328459040902E+03 -0.15258E-01 -0.95006E-02 5235 0.679E-01 0.100E+00 RMM: 3 -0.328451664397E+03 0.73765E-02 -0.97251E-03 5475 0.208E-01 0.182E-01 RMM: 4 -0.328451419380E+03 0.24502E-03 -0.77891E-04 5003 0.545E-02 0.821E-02 RMM: 5 -0.328451374910E+03 0.44470E-04 -0.68323E-05 3407 0.222E-02 0.697E-02 RMM: 6 -0.328451360508E+03 0.14402E-04 -0.22238E-05 2537 0.143E-02 2146 T= 5868. E= 0.67478867E+03 F= 0.62781763E+03 E0= 0.65623318E+03 EK= 0.47787E+02 SP= -.16E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328878738322E+03 -0.42736E+00 -0.11826E-01 8336 0.226E+01 0.361E-01 RMM: 2 -0.328914562575E+03 -0.35824E-01 -0.11562E-01 5008 0.794E-01 0.198E+00 RMM: 3 -0.328887912523E+03 0.26650E-01 -0.17757E-02 5392 0.319E-01 0.405E-01 RMM: 4 -0.328886696195E+03 0.12163E-02 -0.20912E-03 5002 0.967E-02 0.921E-02 RMM: 5 -0.328886685695E+03 0.10500E-04 -0.24741E-04 4189 0.326E-02 0.100E-01 RMM: 6 -0.328886620828E+03 0.64867E-04 -0.30952E-05 2725 0.170E-02 0.511E-02 RMM: 7 -0.328886623441E+03 -0.26133E-05 -0.22994E-05 2547 0.147E-02 2147 T= 5992. E= 0.67478738E+03 F= 0.62738237E+03 E0= 0.65582871E+03 EK= 0.48798E+02 SP= -.22E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329623347454E+03 -0.73673E+00 -0.12563E-01 8520 0.229E+01 0.336E-01 RMM: 2 -0.329656914085E+03 -0.33567E-01 -0.12784E-01 5076 0.799E-01 0.183E+00 RMM: 3 -0.329633569659E+03 0.23344E-01 -0.16223E-02 5394 0.295E-01 0.359E-01 RMM: 4 -0.329632688775E+03 0.88088E-03 -0.20604E-03 4978 0.973E-02 0.131E-01 RMM: 5 -0.329632745012E+03 -0.56237E-04 -0.31719E-04 3931 0.418E-02 0.161E-01 RMM: 6 -0.329632567943E+03 0.17707E-03 -0.97313E-05 3702 0.284E-02 0.433E-02 RMM: 7 -0.329632563300E+03 0.46440E-05 -0.21198E-05 2582 0.137E-02 2148 T= 6158. E= 0.67478279E+03 F= 0.62663643E+03 E0= 0.65511779E+03 EK= 0.50148E+02 SP= -.29E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330612602833E+03 -0.98003E+00 -0.13859E-01 8648 0.233E+01 0.242E-01 RMM: 2 -0.330637310669E+03 -0.24708E-01 -0.14899E-01 5175 0.840E-01 0.129E+00 RMM: 3 -0.330625084758E+03 0.12226E-01 -0.14969E-02 5519 0.256E-01 0.238E-01 RMM: 4 -0.330624647194E+03 0.43756E-03 -0.12480E-03 4865 0.727E-02 0.104E-01 RMM: 5 -0.330624586822E+03 0.60372E-04 -0.16322E-04 3943 0.315E-02 0.885E-02 RMM: 6 -0.330624540647E+03 0.46175E-04 -0.35365E-05 2916 0.179E-02 0.479E-02 RMM: 7 -0.330624539021E+03 0.16260E-05 -0.19574E-05 2523 0.137E-02 2149 T= 6357. E= 0.67477519E+03 F= 0.62564445E+03 E0= 0.65416215E+03 EK= 0.51771E+02 SP= -.35E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331740602753E+03 -0.11161E+01 -0.15936E-01 8840 0.237E+01 0.211E-01 RMM: 2 -0.331763847497E+03 -0.23245E-01 -0.17258E-01 5086 0.907E-01 0.103E+00 RMM: 3 -0.331755573782E+03 0.82737E-02 -0.16542E-02 5885 0.248E-01 0.205E-01 RMM: 4 -0.331755094774E+03 0.47901E-03 -0.96373E-04 4841 0.678E-02 0.105E-01 RMM: 5 -0.331755034778E+03 0.59996E-04 -0.14282E-04 3877 0.312E-02 0.738E-02 RMM: 6 -0.331755007453E+03 0.27326E-04 -0.29973E-05 2759 0.162E-02 0.513E-02 RMM: 7 -0.331755008686E+03 -0.12338E-05 -0.27935E-05 2598 0.164E-02 2150 T= 6577. E= 0.67476545E+03 F= 0.62451398E+03 E0= 0.65307038E+03 EK= 0.53558E+02 SP= -.42E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332871212354E+03 -0.11162E+01 -0.18423E-01 8680 0.242E+01 0.204E-01 RMM: 2 -0.332895464864E+03 -0.24253E-01 -0.20842E-01 5214 0.989E-01 0.857E-01 RMM: 3 -0.332889226884E+03 0.62380E-02 -0.19233E-02 5986 0.257E-01 0.171E-01 RMM: 4 -0.332888879559E+03 0.34733E-03 -0.10183E-03 4870 0.713E-02 0.154E-01 RMM: 5 -0.332888718603E+03 0.16096E-03 -0.16888E-04 3896 0.324E-02 0.787E-02 RMM: 6 -0.332888689624E+03 0.28980E-04 -0.35146E-05 2936 0.174E-02 0.497E-02 RMM: 7 -0.332888682732E+03 0.68913E-05 -0.23297E-05 2566 0.146E-02 2151 T= 6799. E= 0.67475469E+03 F= 0.62338031E+03 E0= 0.65197443E+03 EK= 0.55367E+02 SP= -.49E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333865783272E+03 -0.97709E+00 -0.18625E-01 8984 0.246E+01 0.199E-01 RMM: 2 -0.333888522639E+03 -0.22739E-01 -0.18894E-01 5370 0.914E-01 0.884E-01 RMM: 3 -0.333881864050E+03 0.66586E-02 -0.16198E-02 6081 0.236E-01 0.181E-01 RMM: 4 -0.333881483352E+03 0.38070E-03 -0.85978E-04 4779 0.646E-02 0.130E-01 RMM: 5 -0.333881380037E+03 0.10331E-03 -0.14420E-04 3839 0.300E-02 0.812E-02 RMM: 6 -0.333881356346E+03 0.23691E-04 -0.31825E-05 2836 0.168E-02 0.629E-02 RMM: 7 -0.333881354499E+03 0.18468E-05 -0.36818E-05 2685 0.177E-02 2152 T= 7005. E= 0.67474414E+03 F= 0.62238763E+03 E0= 0.65101723E+03 EK= 0.57045E+02 SP= -.55E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334583344164E+03 -0.70199E+00 -0.19956E-01 8976 0.250E+01 0.199E-01 RMM: 2 -0.334605621307E+03 -0.22277E-01 -0.19713E-01 5514 0.928E-01 0.791E-01 RMM: 3 -0.334599980563E+03 0.56407E-02 -0.15286E-02 6039 0.232E-01 0.173E-01 RMM: 4 -0.334599716214E+03 0.26435E-03 -0.89095E-04 4799 0.646E-02 0.149E-01 RMM: 5 -0.334599564107E+03 0.15211E-03 -0.15289E-04 3866 0.300E-02 0.752E-02 RMM: 6 -0.334599544373E+03 0.19734E-04 -0.29058E-05 2702 0.160E-02 2153 T= 7177. E= 0.67473621E+03 F= 0.62166944E+03 E0= 0.65032925E+03 EK= 0.58449E+02 SP= -.62E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334923916263E+03 -0.32435E+00 -0.20864E-01 8896 0.253E+01 0.224E-01 RMM: 2 -0.334952627229E+03 -0.28711E-01 -0.21445E-01 5420 0.965E-01 0.114E+00 RMM: 3 -0.334941901887E+03 0.10725E-01 -0.17018E-02 5697 0.263E-01 0.217E-01 RMM: 4 -0.334941472879E+03 0.42901E-03 -0.11895E-03 4992 0.710E-02 0.109E-01 RMM: 5 -0.334941391902E+03 0.80977E-04 -0.14584E-04 4410 0.282E-02 0.874E-02 RMM: 6 -0.334941371060E+03 0.20841E-04 -0.27987E-05 2603 0.161E-02 0.732E-02 RMM: 7 -0.334941375115E+03 -0.40549E-05 -0.58539E-05 3300 0.201E-02 2154 T= 7302. E= 0.67473120E+03 F= 0.62132761E+03 E0= 0.65001117E+03 EK= 0.59465E+02 SP= -.68E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334831233833E+03 0.11014E+00 -0.20099E-01 8904 0.256E+01 0.250E-01 RMM: 2 -0.334859414489E+03 -0.28181E-01 -0.20306E-01 5364 0.939E-01 0.120E+00 RMM: 3 -0.334847670151E+03 0.11744E-01 -0.15732E-02 5849 0.256E-01 0.247E-01 RMM: 4 -0.334847202188E+03 0.46796E-03 -0.13054E-03 4776 0.806E-02 0.139E-01 RMM: 5 -0.334847107006E+03 0.95182E-04 -0.19423E-04 3905 0.339E-02 0.962E-02 RMM: 6 -0.334847055919E+03 0.51087E-04 -0.39372E-05 3035 0.189E-02 0.469E-02 RMM: 7 -0.334847058550E+03 -0.26313E-05 -0.23947E-05 2530 0.149E-02 2155 T= 7371. E= 0.67472977E+03 F= 0.62142193E+03 E0= 0.65012042E+03 EK= 0.60023E+02 SP= -.74E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334293192812E+03 0.55386E+00 -0.20012E-01 8888 0.257E+01 0.226E-01 RMM: 2 -0.334321461252E+03 -0.28268E-01 -0.20805E-01 5460 0.939E-01 0.117E+00 RMM: 3 -0.334309998786E+03 0.11462E-01 -0.14893E-02 5801 0.253E-01 0.208E-01 RMM: 4 -0.334309652957E+03 0.34583E-03 -0.10785E-03 4881 0.686E-02 0.120E-01 RMM: 5 -0.334309548918E+03 0.10404E-03 -0.14390E-04 3978 0.297E-02 0.847E-02 RMM: 6 -0.334309518115E+03 0.30803E-04 -0.35767E-05 2919 0.177E-02 0.614E-02 RMM: 7 -0.334309514721E+03 0.33939E-05 -0.43236E-05 2735 0.183E-02 2156 T= 7381. E= 0.67473240E+03 F= 0.62195947E+03 E0= 0.65066156E+03 EK= 0.60108E+02 SP= -.79E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333361724777E+03 0.94779E+00 -0.20173E-01 8840 0.256E+01 0.215E-01 RMM: 2 -0.333387786072E+03 -0.26061E-01 -0.21021E-01 5216 0.983E-01 0.993E-01 RMM: 3 -0.333379318642E+03 0.84674E-02 -0.17460E-02 5954 0.265E-01 0.200E-01 RMM: 4 -0.333378887953E+03 0.43069E-03 -0.10076E-03 4909 0.687E-02 0.109E-01 RMM: 5 -0.333378810964E+03 0.76989E-04 -0.12804E-04 4067 0.292E-02 0.798E-02 RMM: 6 -0.333378783397E+03 0.27567E-04 -0.27611E-05 2588 0.157E-02 0.569E-02 RMM: 7 -0.333378783511E+03 -0.11401E-06 -0.35783E-05 2797 0.173E-02 2157 T= 7339. E= 0.67473838E+03 F= 0.62289021E+03 E0= 0.65158568E+03 EK= 0.59763E+02 SP= -.84E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332138285678E+03 0.12405E+01 -0.19076E-01 8680 0.255E+01 0.206E-01 RMM: 2 -0.332162565765E+03 -0.24280E-01 -0.20252E-01 5283 0.965E-01 0.910E-01 RMM: 3 -0.332155329029E+03 0.72367E-02 -0.16630E-02 5995 0.256E-01 0.198E-01 RMM: 4 -0.332154924746E+03 0.40428E-03 -0.93336E-04 4829 0.688E-02 0.127E-01 RMM: 5 -0.332154827548E+03 0.97198E-04 -0.13502E-04 3845 0.311E-02 0.850E-02 RMM: 6 -0.332154791488E+03 0.36060E-04 -0.36577E-05 2960 0.181E-02 0.550E-02 RMM: 7 -0.332154791299E+03 0.18900E-06 -0.42561E-05 2772 0.186E-02 2158 T= 7256. E= 0.67474751E+03 F= 0.62411420E+03 E0= 0.65279238E+03 EK= 0.59087E+02 SP= -.89E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330760235836E+03 0.13946E+01 -0.17714E-01 8536 0.254E+01 0.229E-01 RMM: 2 -0.330785268715E+03 -0.25033E-01 -0.20492E-01 5139 0.100E+00 0.961E-01 RMM: 3 -0.330777839413E+03 0.74293E-02 -0.19681E-02 5903 0.278E-01 0.210E-01 RMM: 4 -0.330777379882E+03 0.45953E-03 -0.10825E-03 5075 0.702E-02 0.122E-01 RMM: 5 -0.330777286380E+03 0.93502E-04 -0.14342E-04 3942 0.310E-02 0.905E-02 RMM: 6 -0.330777249652E+03 0.36729E-04 -0.35276E-05 2885 0.177E-02 0.639E-02 RMM: 7 -0.330777250187E+03 -0.53496E-06 -0.56863E-05 3253 0.205E-02 2159 T= 7150. E= 0.67475931E+03 F= 0.62549174E+03 E0= 0.65414652E+03 EK= 0.58222E+02 SP= -.93E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329388857939E+03 0.13884E+01 -0.17622E-01 8024 0.252E+01 0.229E-01 RMM: 2 -0.329417706692E+03 -0.28849E-01 -0.22742E-01 4946 0.111E+00 0.107E+00 RMM: 3 -0.329409112726E+03 0.85940E-02 -0.24258E-02 5928 0.299E-01 0.232E-01 RMM: 4 -0.329408444711E+03 0.66801E-03 -0.12567E-03 5017 0.813E-02 0.121E-01 RMM: 5 -0.329408368867E+03 0.75844E-04 -0.17003E-04 4027 0.328E-02 0.887E-02 RMM: 6 -0.329408331217E+03 0.37650E-04 -0.37306E-05 2967 0.181E-02 0.581E-02 RMM: 7 -0.329408338737E+03 -0.75197E-05 -0.35335E-05 2711 0.178E-02 2160 T= 7040. E= 0.67477015E+03 F= 0.62686065E+03 E0= 0.65548862E+03 EK= 0.57329E+02 SP= -.98E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328179899341E+03 0.12284E+01 -0.14168E-01 7952 0.250E+01 0.227E-01 RMM: 2 -0.328201585118E+03 -0.21686E-01 -0.16571E-01 5001 0.944E-01 0.101E+00 RMM: 3 -0.328194131026E+03 0.74541E-02 -0.18176E-02 5815 0.269E-01 0.196E-01 RMM: 4 -0.328193746022E+03 0.38500E-03 -0.10424E-03 4999 0.691E-02 0.121E-01 RMM: 5 -0.328193657155E+03 0.88868E-04 -0.13742E-04 3958 0.307E-02 0.895E-02 RMM: 6 -0.328193618135E+03 0.39019E-04 -0.35126E-05 2873 0.180E-02 0.569E-02 RMM: 7 -0.328193621566E+03 -0.34306E-05 -0.37452E-05 2790 0.178E-02 2161 T= 6945. E= 0.67477749E+03 F= 0.62807537E+03 E0= 0.65667794E+03 EK= 0.56558E+02 SP= -.10E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327212695576E+03 0.98092E+00 -0.12927E-01 7624 0.250E+01 0.208E-01 RMM: 2 -0.327231707602E+03 -0.19012E-01 -0.13569E-01 4811 0.880E-01 0.100E+00 RMM: 3 -0.327224479486E+03 0.72281E-02 -0.15948E-02 5797 0.253E-01 0.190E-01 RMM: 4 -0.327224102994E+03 0.37649E-03 -0.89283E-04 4811 0.678E-02 0.104E-01 RMM: 5 -0.327224055728E+03 0.47265E-04 -0.13118E-04 3877 0.312E-02 0.814E-02 RMM: 6 -0.327224019359E+03 0.36369E-04 -0.32293E-05 2813 0.170E-02 0.444E-02 RMM: 7 -0.327224023944E+03 -0.45843E-05 -0.20019E-05 2517 0.143E-02 2162 T= 6877. E= 0.67477948E+03 F= 0.62904497E+03 E0= 0.65762700E+03 EK= 0.56004E+02 SP= -.11E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326500902353E+03 0.72312E+00 -0.12607E-01 7584 0.250E+01 0.190E-01 RMM: 2 -0.326517851587E+03 -0.16949E-01 -0.12928E-01 4815 0.870E-01 0.888E-01 RMM: 3 -0.326512146926E+03 0.57047E-02 -0.15087E-02 5753 0.243E-01 0.146E-01 RMM: 4 -0.326511922034E+03 0.22489E-03 -0.78616E-04 4869 0.620E-02 0.113E-01 RMM: 5 -0.326511836440E+03 0.85594E-04 -0.10995E-04 3851 0.289E-02 0.689E-02 RMM: 6 -0.326511812851E+03 0.23589E-04 -0.28518E-05 2587 0.162E-02 0.413E-02 RMM: 7 -0.326511814478E+03 -0.16264E-05 -0.23366E-05 2520 0.149E-02 2163 T= 6838. E= 0.67477640E+03 F= 0.62975717E+03 E0= 0.65832668E+03 EK= 0.55684E+02 SP= -.11E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325991921475E+03 0.51989E+00 -0.11431E-01 7784 0.251E+01 0.185E-01 RMM: 2 -0.326004618067E+03 -0.12697E-01 -0.99913E-02 5038 0.756E-01 0.774E-01 RMM: 3 -0.326000327652E+03 0.42904E-02 -0.10814E-02 5824 0.206E-01 0.168E-01 RMM: 4 -0.326000058367E+03 0.26928E-03 -0.62671E-04 4714 0.580E-02 0.110E-01 RMM: 5 -0.325999986955E+03 0.71412E-04 -0.97768E-05 3663 0.270E-02 0.727E-02 RMM: 6 -0.325999961397E+03 0.25558E-04 -0.25862E-05 2592 0.158E-02 0.447E-02 RMM: 7 -0.325999961978E+03 -0.58118E-06 -0.20537E-05 2514 0.139E-02 2164 T= 6821. E= 0.67477090E+03 F= 0.63026903E+03 E0= 0.65883506E+03 EK= 0.55546E+02 SP= -.11E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325588510854E+03 0.41145E+00 -0.11592E-01 8096 0.252E+01 0.206E-01 RMM: 2 -0.325604070591E+03 -0.15560E-01 -0.10972E-01 5118 0.777E-01 0.954E-01 RMM: 3 -0.325597622699E+03 0.64479E-02 -0.11506E-02 5770 0.218E-01 0.193E-01 RMM: 4 -0.325597320110E+03 0.30259E-03 -0.76878E-04 4729 0.615E-02 0.113E-01 RMM: 5 -0.325597235530E+03 0.84580E-04 -0.10705E-04 3766 0.271E-02 0.746E-02 RMM: 6 -0.325597213176E+03 0.22354E-04 -0.25641E-05 2578 0.155E-02 0.515E-02 RMM: 7 -0.325597211883E+03 0.12929E-05 -0.25519E-05 2583 0.147E-02 2165 T= 6816. E= 0.67476607E+03 F= 0.63067178E+03 E0= 0.65924431E+03 EK= 0.55504E+02 SP= -.12E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325209502345E+03 0.38771E+00 -0.12121E-01 8168 0.253E+01 0.202E-01 RMM: 2 -0.325224858875E+03 -0.15357E-01 -0.11930E-01 5190 0.799E-01 0.853E-01 RMM: 3 -0.325219501410E+03 0.53575E-02 -0.12230E-02 5901 0.214E-01 0.183E-01 RMM: 4 -0.325219183492E+03 0.31792E-03 -0.71672E-04 4725 0.611E-02 0.125E-01 RMM: 5 -0.325219082644E+03 0.10085E-03 -0.11442E-04 3782 0.284E-02 0.783E-02 RMM: 6 -0.325219057236E+03 0.25408E-04 -0.27536E-05 2656 0.161E-02 0.564E-02 RMM: 7 -0.325219053190E+03 0.40455E-05 -0.28716E-05 2608 0.156E-02 2166 T= 6812. E= 0.67476287E+03 F= 0.63104994E+03 E0= 0.65963762E+03 EK= 0.55476E+02 SP= -.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324800133591E+03 0.41892E+00 -0.12585E-01 8024 0.253E+01 0.213E-01 RMM: 2 -0.324817795708E+03 -0.17662E-01 -0.12979E-01 5113 0.825E-01 0.975E-01 RMM: 3 -0.324811014400E+03 0.67813E-02 -0.13819E-02 5879 0.230E-01 0.205E-01 RMM: 4 -0.324810616698E+03 0.39770E-03 -0.83102E-04 4764 0.644E-02 0.110E-01 RMM: 5 -0.324810535130E+03 0.81568E-04 -0.11702E-04 3811 0.273E-02 0.793E-02 RMM: 6 -0.324810509782E+03 0.25348E-04 -0.27587E-05 2620 0.161E-02 0.563E-02 RMM: 7 -0.324810506679E+03 0.31035E-05 -0.34273E-05 2651 0.166E-02 2167 T= 6804. E= 0.67476248E+03 F= 0.63145848E+03 E0= 0.66006875E+03 EK= 0.55408E+02 SP= -.12E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324346407899E+03 0.46410E+00 -0.13060E-01 7992 0.252E+01 0.191E-01 RMM: 2 -0.324362129013E+03 -0.15721E-01 -0.13001E-01 5129 0.812E-01 0.789E-01 RMM: 3 -0.324357320942E+03 0.48081E-02 -0.13235E-02 6024 0.214E-01 0.163E-01 RMM: 4 -0.324357012996E+03 0.30795E-03 -0.66081E-04 4747 0.592E-02 0.130E-01 RMM: 5 -0.324356900142E+03 0.11285E-03 -0.10988E-04 3719 0.278E-02 0.763E-02 RMM: 6 -0.324356873089E+03 0.27053E-04 -0.28444E-05 2699 0.162E-02 0.522E-02 RMM: 7 -0.324356865774E+03 0.73152E-05 -0.34793E-05 2649 0.166E-02 2168 T= 6789. E= 0.67476477E+03 F= 0.63191212E+03 E0= 0.66055007E+03 EK= 0.55284E+02 SP= -.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323869990628E+03 0.48688E+00 -0.12801E-01 8056 0.251E+01 0.203E-01 RMM: 2 -0.323886756880E+03 -0.16766E-01 -0.12605E-01 5168 0.793E-01 0.924E-01 RMM: 3 -0.323880311411E+03 0.64455E-02 -0.12107E-02 5984 0.213E-01 0.191E-01 RMM: 4 -0.323879940635E+03 0.37078E-03 -0.71718E-04 4725 0.599E-02 0.105E-01 RMM: 5 -0.323879872385E+03 0.68251E-04 -0.10274E-04 3718 0.258E-02 0.802E-02 RMM: 6 -0.323879840962E+03 0.31422E-04 -0.27269E-05 2675 0.162E-02 0.495E-02 RMM: 7 -0.323879840335E+03 0.62752E-06 -0.31630E-05 2636 0.157E-02 2169 T= 6769. E= 0.67476831E+03 F= 0.63238915E+03 E0= 0.66105735E+03 EK= 0.55126E+02 SP= -.13E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323414393592E+03 0.46545E+00 -0.13022E-01 8056 0.250E+01 0.179E-01 RMM: 2 -0.323429526817E+03 -0.15133E-01 -0.13058E-01 5138 0.796E-01 0.718E-01 RMM: 3 -0.323425159444E+03 0.43674E-02 -0.12310E-02 6123 0.208E-01 0.144E-01 RMM: 4 -0.323424906831E+03 0.25261E-03 -0.59373E-04 4743 0.551E-02 0.127E-01 RMM: 5 -0.323424799859E+03 0.10697E-03 -0.96421E-05 3625 0.264E-02 0.700E-02 RMM: 6 -0.323424775676E+03 0.24183E-04 -0.25490E-05 2615 0.155E-02 0.461E-02 RMM: 7 -0.323424773255E+03 0.24206E-05 -0.29248E-05 2623 0.156E-02 2170 T= 6751. E= 0.67477296E+03 F= 0.63284422E+03 E0= 0.66154246E+03 EK= 0.54979E+02 SP= -.13E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323042249502E+03 0.38253E+00 -0.13369E-01 8040 0.249E+01 0.213E-01 RMM: 2 -0.323061268219E+03 -0.19019E-01 -0.13677E-01 5143 0.825E-01 0.998E-01 RMM: 3 -0.323053618310E+03 0.76499E-02 -0.13477E-02 5946 0.223E-01 0.203E-01 RMM: 4 -0.323053181723E+03 0.43659E-03 -0.81839E-04 4722 0.642E-02 0.106E-01 RMM: 5 -0.323053128024E+03 0.53699E-04 -0.12196E-04 3779 0.276E-02 0.891E-02 RMM: 6 -0.323053084520E+03 0.43504E-04 -0.32904E-05 2917 0.177E-02 0.467E-02 RMM: 7 -0.323053085891E+03 -0.13706E-05 -0.21966E-05 2564 0.138E-02 2171 T= 6742. E= 0.67477754E+03 F= 0.63321590E+03 E0= 0.66194030E+03 EK= 0.54905E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322816070073E+03 0.23701E+00 -0.13638E-01 8016 0.248E+01 0.218E-01 RMM: 2 -0.322834386525E+03 -0.18316E-01 -0.13680E-01 5152 0.829E-01 0.959E-01 RMM: 3 -0.322827464327E+03 0.69222E-02 -0.13804E-02 5853 0.229E-01 0.184E-01 RMM: 4 -0.322827122444E+03 0.34188E-03 -0.85698E-04 4839 0.624E-02 0.120E-01 RMM: 5 -0.322827042235E+03 0.80210E-04 -0.12333E-04 3824 0.282E-02 0.807E-02 RMM: 6 -0.322827005159E+03 0.37076E-04 -0.28013E-05 2737 0.162E-02 0.459E-02 RMM: 7 -0.322827007013E+03 -0.18532E-05 -0.22087E-05 2546 0.140E-02 2172 T= 6750. E= 0.67478141E+03 F= 0.63344198E+03 E0= 0.66218553E+03 EK= 0.54966E+02 SP= -.14E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322787041362E+03 0.39964E-01 -0.14036E-01 8008 0.247E+01 0.278E-01 RMM: 2 -0.322812403246E+03 -0.25362E-01 -0.14374E-01 5093 0.875E-01 0.137E+00 RMM: 3 -0.322798900638E+03 0.13503E-01 -0.16139E-02 5648 0.262E-01 0.282E-01 RMM: 4 -0.322798220484E+03 0.68015E-03 -0.13632E-03 4790 0.797E-02 0.112E-01 RMM: 5 -0.322798192336E+03 0.28148E-04 -0.20596E-04 3913 0.347E-02 0.112E-01 RMM: 6 -0.322798113764E+03 0.78571E-04 -0.55193E-05 3235 0.219E-02 0.465E-02 RMM: 7 -0.322798112803E+03 0.96107E-06 -0.18236E-05 2537 0.132E-02 2173 T= 6780. E= 0.67478386E+03 F= 0.63347088E+03 E0= 0.66222374E+03 EK= 0.55214E+02 SP= -.14E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322986061176E+03 -0.18795E+00 -0.13797E-01 7944 0.247E+01 0.266E-01 RMM: 2 -0.323009614166E+03 -0.23553E-01 -0.14710E-01 5006 0.895E-01 0.125E+00 RMM: 3 -0.322998405261E+03 0.11209E-01 -0.17208E-02 5643 0.269E-01 0.225E-01 RMM: 4 -0.322997952206E+03 0.45306E-03 -0.12839E-03 4807 0.736E-02 0.123E-01 RMM: 5 -0.322997877486E+03 0.74720E-04 -0.17458E-04 3969 0.324E-02 0.921E-02 RMM: 6 -0.322997824628E+03 0.52858E-04 -0.36727E-05 2941 0.182E-02 0.460E-02 RMM: 7 -0.322997825279E+03 -0.65139E-06 -0.20353E-05 2524 0.140E-02 2174 T= 6837. E= 0.67478405E+03 F= 0.63327116E+03 E0= 0.66202179E+03 EK= 0.55679E+02 SP= -.14E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323416990759E+03 -0.41917E+00 -0.13583E-01 7976 0.248E+01 0.294E-01 RMM: 2 -0.323442782612E+03 -0.25792E-01 -0.13307E-01 5101 0.867E-01 0.148E+00 RMM: 3 -0.323427757988E+03 0.15025E-01 -0.15367E-02 5519 0.270E-01 0.309E-01 RMM: 4 -0.323427016281E+03 0.74171E-03 -0.15015E-03 4771 0.837E-02 0.114E-01 RMM: 5 -0.323426995482E+03 0.20799E-04 -0.23925E-04 3917 0.377E-02 0.117E-01 RMM: 6 -0.323426906464E+03 0.89018E-04 -0.65514E-05 3387 0.234E-02 0.449E-02 RMM: 7 -0.323426902694E+03 0.37696E-05 -0.16994E-05 2529 0.128E-02 2175 T= 6921. E= 0.67478160E+03 F= 0.63284209E+03 E0= 0.66157860E+03 EK= 0.56360E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324033397763E+03 -0.60649E+00 -0.14610E-01 7864 0.250E+01 0.263E-01 RMM: 2 -0.324058668213E+03 -0.25270E-01 -0.16443E-01 4919 0.959E-01 0.126E+00 RMM: 3 -0.324047437133E+03 0.11231E-01 -0.19243E-02 5634 0.281E-01 0.237E-01 RMM: 4 -0.324046909492E+03 0.52764E-03 -0.13751E-03 4895 0.780E-02 0.121E-01 RMM: 5 -0.324046841180E+03 0.68312E-04 -0.19932E-04 4046 0.328E-02 0.969E-02 RMM: 6 -0.324046781819E+03 0.59361E-04 -0.40914E-05 3009 0.192E-02 0.455E-02 RMM: 7 -0.324046778689E+03 0.31300E-05 -0.17355E-05 2507 0.130E-02 2176 T= 7026. E= 0.67477626E+03 F= 0.63222221E+03 E0= 0.66093451E+03 EK= 0.57214E+02 SP= -.15E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324767852864E+03 -0.72107E+00 -0.13891E-01 8040 0.251E+01 0.286E-01 RMM: 2 -0.324791382168E+03 -0.23529E-01 -0.13466E-01 5081 0.873E-01 0.136E+00 RMM: 3 -0.324778856476E+03 0.12526E-01 -0.15406E-02 5549 0.268E-01 0.307E-01 RMM: 4 -0.324778107930E+03 0.74855E-03 -0.14113E-03 4769 0.808E-02 0.112E-01 RMM: 5 -0.324778076660E+03 0.31270E-04 -0.22120E-04 3907 0.368E-02 0.111E-01 RMM: 6 -0.324777995173E+03 0.81487E-04 -0.56959E-05 3279 0.219E-02 0.472E-02 RMM: 7 -0.324777991595E+03 0.35788E-05 -0.19210E-05 2526 0.138E-02 2177 T= 7142. E= 0.67476865E+03 F= 0.63149100E+03 E0= 0.66017212E+03 EK= 0.58160E+02 SP= -.15E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325497638960E+03 -0.71964E+00 -0.15157E-01 8024 0.253E+01 0.264E-01 RMM: 2 -0.325522514564E+03 -0.24876E-01 -0.15260E-01 5013 0.917E-01 0.132E+00 RMM: 3 -0.325510240571E+03 0.12274E-01 -0.16812E-02 5627 0.271E-01 0.241E-01 RMM: 4 -0.325509778401E+03 0.46217E-03 -0.13015E-03 4863 0.769E-02 0.125E-01 RMM: 5 -0.325509697820E+03 0.80581E-04 -0.18801E-04 3929 0.336E-02 0.966E-02 RMM: 6 -0.325509641839E+03 0.55981E-04 -0.43092E-05 3050 0.194E-02 0.482E-02 RMM: 7 -0.325509641266E+03 0.57238E-06 -0.21833E-05 2537 0.143E-02 2178 T= 7255. E= 0.67475997E+03 F= 0.63075935E+03 E0= 0.65940672E+03 EK= 0.59081E+02 SP= -.15E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326105330309E+03 -0.59569E+00 -0.14768E-01 7928 0.255E+01 0.275E-01 RMM: 2 -0.326128207499E+03 -0.22877E-01 -0.15145E-01 5070 0.913E-01 0.121E+00 RMM: 3 -0.326117947098E+03 0.10260E-01 -0.17150E-02 5639 0.271E-01 0.280E-01 RMM: 4 -0.326117310325E+03 0.63677E-03 -0.13355E-03 4779 0.782E-02 0.120E-01 RMM: 5 -0.326117256335E+03 0.53991E-04 -0.20966E-04 3924 0.360E-02 0.115E-01 RMM: 6 -0.326117172406E+03 0.83929E-04 -0.56157E-05 3274 0.218E-02 0.536E-02 RMM: 7 -0.326117168514E+03 0.38921E-05 -0.22452E-05 2547 0.147E-02 2179 T= 7349. E= 0.67475265E+03 F= 0.63015182E+03 E0= 0.65876690E+03 EK= 0.59850E+02 SP= -.15E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326477281905E+03 -0.36011E+00 -0.15760E-01 7992 0.256E+01 0.274E-01 RMM: 2 -0.326504336882E+03 -0.27055E-01 -0.16439E-01 5067 0.942E-01 0.136E+00 RMM: 3 -0.326490972371E+03 0.13365E-01 -0.18119E-02 5649 0.278E-01 0.269E-01 RMM: 4 -0.326490392254E+03 0.58012E-03 -0.14095E-03 4873 0.804E-02 0.122E-01 RMM: 5 -0.326490308528E+03 0.83727E-04 -0.19371E-04 3921 0.340E-02 0.989E-02 RMM: 6 -0.326490253637E+03 0.54890E-04 -0.43257E-05 3052 0.193E-02 0.580E-02 RMM: 7 -0.326490254808E+03 -0.11707E-05 -0.32024E-05 2640 0.169E-02 2180 T= 7411. E= 0.67474792E+03 F= 0.62977873E+03 E0= 0.65836665E+03 EK= 0.60352E+02 SP= -.15E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326539060115E+03 -0.48806E-01 -0.16250E-01 8160 0.257E+01 0.273E-01 RMM: 2 -0.326561703080E+03 -0.22643E-01 -0.15538E-01 5247 0.898E-01 0.119E+00 RMM: 3 -0.326551522371E+03 0.10181E-01 -0.15631E-02 5781 0.257E-01 0.240E-01 RMM: 4 -0.326551069668E+03 0.45270E-03 -0.12324E-03 4777 0.755E-02 0.143E-01 RMM: 5 -0.326550966640E+03 0.10303E-03 -0.19426E-04 3904 0.349E-02 0.110E-01 RMM: 6 -0.326550891308E+03 0.75331E-04 -0.55317E-05 3289 0.218E-02 0.529E-02 RMM: 7 -0.326550891831E+03 -0.52248E-06 -0.26668E-05 2596 0.155E-02 2181 T= 7430. E= 0.67474560E+03 F= 0.62971810E+03 E0= 0.65828534E+03 EK= 0.60504E+02 SP= -.15E+02 SK= 0.85E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326249580997E+03 0.30131E+00 -0.16856E-01 8144 0.256E+01 0.267E-01 RMM: 2 -0.326275789179E+03 -0.26208E-01 -0.17493E-01 5151 0.950E-01 0.128E+00 RMM: 3 -0.326263927344E+03 0.11862E-01 -0.17649E-02 5792 0.270E-01 0.254E-01 RMM: 4 -0.326263395640E+03 0.53170E-03 -0.12948E-03 4853 0.782E-02 0.134E-01 RMM: 5 -0.326263286698E+03 0.10894E-03 -0.18532E-04 3922 0.335E-02 0.945E-02 RMM: 6 -0.326263238780E+03 0.47919E-04 -0.45797E-05 3108 0.199E-02 0.573E-02 RMM: 7 -0.326263242893E+03 -0.41130E-05 -0.42587E-05 2823 0.188E-02 2182 T= 7401. E= 0.67474612E+03 F= 0.63000575E+03 E0= 0.65855788E+03 EK= 0.60271E+02 SP= -.16E+02 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325626636761E+03 0.63660E+00 -0.16366E-01 8376 0.254E+01 0.254E-01 RMM: 2 -0.325649444968E+03 -0.22808E-01 -0.16129E-01 5404 0.889E-01 0.114E+00 RMM: 3 -0.325639387717E+03 0.10057E-01 -0.13867E-02 5883 0.241E-01 0.217E-01 RMM: 4 -0.325639054114E+03 0.33360E-03 -0.10853E-03 4751 0.720E-02 0.147E-01 RMM: 5 -0.325638928596E+03 0.12552E-03 -0.17215E-04 3889 0.325E-02 0.970E-02 RMM: 6 -0.325638875108E+03 0.53488E-04 -0.44379E-05 3112 0.200E-02 0.526E-02 RMM: 7 -0.325638879376E+03 -0.42684E-05 -0.28619E-05 2620 0.154E-02 2183 T= 7327. E= 0.67475062E+03 F= 0.63063011E+03 E0= 0.65917139E+03 EK= 0.59666E+02 SP= -.16E+02 SK= 0.19E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.324728722263E+03 0.91015E+00 -0.16563E-01 8552 0.252E+01 0.249E-01 RMM: 2 -0.324752329740E+03 -0.23607E-01 -0.16875E-01 5292 0.908E-01 0.114E+00 RMM: 3 -0.324742172782E+03 0.10157E-01 -0.14463E-02 5925 0.250E-01 0.224E-01 RMM: 4 -0.324741781283E+03 0.39150E-03 -0.10439E-03 4802 0.708E-02 0.131E-01 RMM: 5 -0.324741682442E+03 0.98841E-04 -0.15358E-04 3872 0.316E-02 0.927E-02 RMM: 6 -0.324741636797E+03 0.45645E-04 -0.41751E-05 3048 0.195E-02 0.540E-02 RMM: 7 -0.324741643893E+03 -0.70960E-05 -0.35651E-05 2706 0.172E-02 2184 T= 7215. E= 0.67475886E+03 F= 0.63152735E+03 E0= 0.66006115E+03 EK= 0.58756E+02 SP= -.16E+02 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323672643673E+03 0.10690E+01 -0.16694E-01 8528 0.249E+01 0.230E-01 RMM: 2 -0.323694052557E+03 -0.21409E-01 -0.16697E-01 5356 0.894E-01 0.986E-01 RMM: 3 -0.323685811226E+03 0.82413E-02 -0.13512E-02 6060 0.242E-01 0.186E-01 RMM: 4 -0.323685558538E+03 0.25269E-03 -0.88210E-04 4778 0.665E-02 0.142E-01 RMM: 5 -0.323685437927E+03 0.12061E-03 -0.13944E-04 3837 0.313E-02 0.869E-02 RMM: 6 -0.323685398029E+03 0.39898E-04 -0.36277E-05 2944 0.183E-02 0.519E-02 RMM: 7 -0.323685405927E+03 -0.78975E-05 -0.38330E-05 2724 0.175E-02 2185 T= 7080. E= 0.67476881E+03 F= 0.63258358E+03 E0= 0.66111195E+03 EK= 0.57659E+02 SP= -.15E+02 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322601591612E+03 0.10838E+01 -0.17165E-01 8480 0.246E+01 0.234E-01 RMM: 2 -0.322624302004E+03 -0.22710E-01 -0.17158E-01 5148 0.936E-01 0.104E+00 RMM: 3 -0.322615677822E+03 0.86242E-02 -0.15770E-02 5943 0.267E-01 0.215E-01 RMM: 4 -0.322615298838E+03 0.37898E-03 -0.97800E-04 4893 0.698E-02 0.118E-01 RMM: 5 -0.322615226525E+03 0.72313E-04 -0.14030E-04 3847 0.317E-02 0.936E-02 RMM: 6 -0.322615180538E+03 0.45987E-04 -0.41345E-05 3012 0.195E-02 0.542E-02 RMM: 7 -0.322615188761E+03 -0.82227E-05 -0.33502E-05 2676 0.170E-02 2186 T= 6941. E= 0.67477990E+03 F= 0.63365380E+03 E0= 0.66217807E+03 EK= 0.56526E+02 SP= -.15E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321674591659E+03 0.94059E+00 -0.16196E-01 8328 0.243E+01 0.223E-01 RMM: 2 -0.321695840395E+03 -0.21249E-01 -0.16061E-01 5204 0.907E-01 0.997E-01 RMM: 3 -0.321687763787E+03 0.80766E-02 -0.14572E-02 5817 0.262E-01 0.188E-01 RMM: 4 -0.321687504111E+03 0.25968E-03 -0.91331E-04 4888 0.668E-02 0.118E-01 RMM: 5 -0.321687423275E+03 0.80836E-04 -0.12598E-04 3831 0.306E-02 0.848E-02 RMM: 6 -0.321687386639E+03 0.36636E-04 -0.33885E-05 2814 0.176E-02 0.510E-02 RMM: 7 -0.321687396376E+03 -0.97366E-05 -0.32909E-05 2633 0.168E-02 2187 T= 6817. E= 0.67478846E+03 F= 0.63458159E+03 E0= 0.66310323E+03 EK= 0.55517E+02 SP= -.15E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321016531296E+03 0.67086E+00 -0.15415E-01 8312 0.242E+01 0.204E-01 RMM: 2 -0.321035767528E+03 -0.19236E-01 -0.15198E-01 5216 0.883E-01 0.888E-01 RMM: 3 -0.321029105421E+03 0.66621E-02 -0.13750E-02 5825 0.254E-01 0.187E-01 RMM: 4 -0.321028840300E+03 0.26512E-03 -0.81805E-04 4836 0.634E-02 0.108E-01 RMM: 5 -0.321028774458E+03 0.65842E-04 -0.11455E-04 3750 0.302E-02 0.839E-02 RMM: 6 -0.321028738228E+03 0.36230E-04 -0.36382E-05 2877 0.184E-02 0.512E-02 RMM: 7 -0.321028745187E+03 -0.69598E-05 -0.38063E-05 2734 0.182E-02 2188 T= 6725. E= 0.67479288E+03 F= 0.63524024E+03 E0= 0.66376006E+03 EK= 0.54761E+02 SP= -.15E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320695836763E+03 0.33290E+00 -0.14763E-01 8200 0.242E+01 0.201E-01 RMM: 2 -0.320714606047E+03 -0.18769E-01 -0.14581E-01 4997 0.884E-01 0.901E-01 RMM: 3 -0.320707977704E+03 0.66283E-02 -0.14319E-02 5887 0.254E-01 0.175E-01 RMM: 4 -0.320707718132E+03 0.25957E-03 -0.80891E-04 4841 0.640E-02 0.108E-01 RMM: 5 -0.320707652606E+03 0.65526E-04 -0.11532E-04 3747 0.304E-02 0.799E-02 RMM: 6 -0.320707617579E+03 0.35028E-04 -0.33873E-05 2805 0.178E-02 0.458E-02 RMM: 7 -0.320707622113E+03 -0.45343E-05 -0.31318E-05 2618 0.170E-02 2189 T= 6672. E= 0.67479220E+03 F= 0.63556137E+03 E0= 0.66408094E+03 EK= 0.54330E+02 SP= -.15E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320710849231E+03 -0.32317E-02 -0.13913E-01 7968 0.244E+01 0.174E-01 RMM: 2 -0.320726405203E+03 -0.15556E-01 -0.12574E-01 5241 0.792E-01 0.777E-01 RMM: 3 -0.320721017015E+03 0.53882E-02 -0.10742E-02 5868 0.223E-01 0.171E-01 RMM: 4 -0.320720817374E+03 0.19964E-03 -0.64740E-04 4757 0.572E-02 0.103E-01 RMM: 5 -0.320720743959E+03 0.73415E-04 -0.90350E-05 3597 0.271E-02 0.707E-02 RMM: 6 -0.320720722073E+03 0.21886E-04 -0.29551E-05 2682 0.166E-02 0.510E-02 RMM: 7 -0.320720721160E+03 0.91337E-06 -0.37076E-05 2676 0.176E-02 2190 T= 6658. E= 0.67478755E+03 F= 0.63554827E+03 E0= 0.66406850E+03 EK= 0.54223E+02 SP= -.15E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320997363862E+03 -0.27664E+00 -0.14248E-01 7864 0.247E+01 0.203E-01 RMM: 2 -0.321015309977E+03 -0.17946E-01 -0.13591E-01 4996 0.849E-01 0.913E-01 RMM: 3 -0.321008724622E+03 0.65854E-02 -0.13904E-02 5949 0.240E-01 0.187E-01 RMM: 4 -0.321008389108E+03 0.33551E-03 -0.78665E-04 4735 0.646E-02 0.113E-01 RMM: 5 -0.321008315883E+03 0.73226E-04 -0.12050E-04 3754 0.303E-02 0.795E-02 RMM: 6 -0.321008282946E+03 0.32937E-04 -0.31148E-05 2747 0.171E-02 0.479E-02 RMM: 7 -0.321008286529E+03 -0.35827E-05 -0.25339E-05 2595 0.155E-02 2191 T= 6678. E= 0.67478131E+03 F= 0.63526070E+03 E0= 0.66378312E+03 EK= 0.54382E+02 SP= -.15E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321474137155E+03 -0.46585E+00 -0.13844E-01 7888 0.250E+01 0.198E-01 RMM: 2 -0.321490286039E+03 -0.16149E-01 -0.12452E-01 5167 0.800E-01 0.869E-01 RMM: 3 -0.321484378439E+03 0.59076E-02 -0.11887E-02 5959 0.219E-01 0.182E-01 RMM: 4 -0.321484075976E+03 0.30246E-03 -0.69934E-04 4710 0.604E-02 0.118E-01 RMM: 5 -0.321483984546E+03 0.91430E-04 -0.10400E-04 3700 0.280E-02 0.747E-02 RMM: 6 -0.321483962707E+03 0.21839E-04 -0.27184E-05 2612 0.159E-02 0.555E-02 RMM: 7 -0.321483961520E+03 0.11874E-05 -0.35599E-05 2690 0.167E-02 2192 T= 6720. E= 0.67477551E+03 F= 0.63478503E+03 E0= 0.66331062E+03 EK= 0.54723E+02 SP= -.15E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322053074178E+03 -0.56911E+00 -0.13373E-01 7864 0.252E+01 0.206E-01 RMM: 2 -0.322069793410E+03 -0.16719E-01 -0.12643E-01 5159 0.807E-01 0.909E-01 RMM: 3 -0.322063514754E+03 0.62787E-02 -0.12358E-02 5998 0.216E-01 0.169E-01 RMM: 4 -0.322063235649E+03 0.27911E-03 -0.73960E-04 4699 0.628E-02 0.140E-01 RMM: 5 -0.322063113443E+03 0.12221E-03 -0.12632E-04 3808 0.305E-02 0.770E-02 RMM: 6 -0.322063083477E+03 0.29966E-04 -0.29379E-05 2745 0.168E-02 0.495E-02 RMM: 7 -0.322063083233E+03 0.24340E-06 -0.25201E-05 2607 0.149E-02 2193 T= 6773. E= 0.67477062E+03 F= 0.63420591E+03 E0= 0.66273638E+03 EK= 0.55158E+02 SP= -.15E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322667779374E+03 -0.60470E+00 -0.12940E-01 7728 0.254E+01 0.213E-01 RMM: 2 -0.322685542536E+03 -0.17763E-01 -0.12833E-01 5092 0.825E-01 0.981E-01 RMM: 3 -0.322678492088E+03 0.70504E-02 -0.13147E-02 5868 0.225E-01 0.186E-01 RMM: 4 -0.322678144830E+03 0.34726E-03 -0.81623E-04 4722 0.653E-02 0.126E-01 RMM: 5 -0.322678038425E+03 0.10641E-03 -0.12189E-04 3803 0.293E-02 0.748E-02 RMM: 6 -0.322678013980E+03 0.24445E-04 -0.27934E-05 2632 0.161E-02 0.520E-02 RMM: 7 -0.322678011168E+03 0.28122E-05 -0.32242E-05 2655 0.159E-02 2194 T= 6830. E= 0.67476692E+03 F= 0.63359098E+03 E0= 0.66212851E+03 EK= 0.55618E+02 SP= -.14E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323272341904E+03 -0.59433E+00 -0.12625E-01 7760 0.254E+01 0.190E-01 RMM: 2 -0.323287337418E+03 -0.14996E-01 -0.11623E-01 5161 0.782E-01 0.851E-01 RMM: 3 -0.323281965042E+03 0.53724E-02 -0.11180E-02 5997 0.200E-01 0.147E-01 RMM: 4 -0.323281741640E+03 0.22340E-03 -0.64031E-04 4671 0.594E-02 0.143E-01 RMM: 5 -0.323281605177E+03 0.13646E-03 -0.11550E-04 3766 0.295E-02 0.670E-02 RMM: 6 -0.323281581757E+03 0.23420E-04 -0.27258E-05 2698 0.160E-02 0.449E-02 RMM: 7 -0.323281577865E+03 0.38922E-05 -0.27196E-05 2602 0.148E-02 2195 T= 6883. E= 0.67476438E+03 F= 0.63298741E+03 E0= 0.66153589E+03 EK= 0.56054E+02 SP= -.14E+02 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323834374042E+03 -0.55279E+00 -0.12631E-01 7744 0.254E+01 0.202E-01 RMM: 2 -0.323849127263E+03 -0.14753E-01 -0.10757E-01 5217 0.753E-01 0.903E-01 RMM: 3 -0.323843073331E+03 0.60539E-02 -0.99949E-03 5863 0.199E-01 0.183E-01 RMM: 4 -0.323842779236E+03 0.29409E-03 -0.70075E-04 4657 0.607E-02 0.120E-01 RMM: 5 -0.323842680618E+03 0.98618E-04 -0.11066E-04 3744 0.276E-02 0.739E-02 RMM: 6 -0.323842651928E+03 0.28690E-04 -0.26461E-05 2667 0.160E-02 0.444E-02 RMM: 7 -0.323842648289E+03 0.36397E-05 -0.24288E-05 2572 0.139E-02 2196 T= 6930. E= 0.67476250E+03 F= 0.63242634E+03 E0= 0.66099055E+03 EK= 0.56430E+02 SP= -.14E+02 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324331751804E+03 -0.48910E+00 -0.13275E-01 7816 0.254E+01 0.184E-01 RMM: 2 -0.324346703639E+03 -0.14952E-01 -0.12046E-01 5160 0.787E-01 0.807E-01 RMM: 3 -0.324341808094E+03 0.48955E-02 -0.11573E-02 6051 0.203E-01 0.166E-01 RMM: 4 -0.324341503390E+03 0.30470E-03 -0.63136E-04 4696 0.580E-02 0.119E-01 RMM: 5 -0.324341408834E+03 0.94556E-04 -0.10281E-04 3684 0.275E-02 0.713E-02 RMM: 6 -0.324341381713E+03 0.27120E-04 -0.26867E-05 2670 0.159E-02 0.478E-02 RMM: 7 -0.324341376703E+03 0.50107E-05 -0.31315E-05 2629 0.156E-02 2197 T= 6966. E= 0.67476160E+03 F= 0.63192761E+03 E0= 0.66051406E+03 EK= 0.56727E+02 SP= -.14E+02 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324761230816E+03 -0.41985E+00 -0.13177E-01 8024 0.253E+01 0.213E-01 RMM: 2 -0.324777835847E+03 -0.16605E-01 -0.11842E-01 5264 0.767E-01 0.959E-01 RMM: 3 -0.324770835602E+03 0.70002E-02 -0.11094E-02 5891 0.210E-01 0.207E-01 RMM: 4 -0.324770476538E+03 0.35906E-03 -0.78908E-04 4728 0.614E-02 0.115E-01 RMM: 5 -0.324770392097E+03 0.84441E-04 -0.11402E-04 3743 0.274E-02 0.835E-02 RMM: 6 -0.324770354865E+03 0.37232E-04 -0.28130E-05 2716 0.164E-02 0.501E-02 RMM: 7 -0.324770351376E+03 0.34884E-05 -0.26430E-05 2611 0.146E-02 2198 T= 6992. E= 0.67476169E+03 F= 0.63149864E+03 E0= 0.66011367E+03 EK= 0.56935E+02 SP= -.14E+02 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325125610892E+03 -0.35526E+00 -0.13270E-01 8440 0.252E+01 0.204E-01 RMM: 2 -0.325142102765E+03 -0.16492E-01 -0.12128E-01 5347 0.762E-01 0.935E-01 RMM: 3 -0.325135453522E+03 0.66492E-02 -0.10368E-02 5900 0.205E-01 0.201E-01 RMM: 4 -0.325135120017E+03 0.33350E-03 -0.73619E-04 4790 0.579E-02 0.104E-01 RMM: 5 -0.325135048436E+03 0.71581E-04 -0.98280E-05 3699 0.255E-02 0.788E-02 RMM: 6 -0.325135019252E+03 0.29184E-04 -0.25038E-05 2617 0.154E-02 0.567E-02 RMM: 7 -0.325135016907E+03 0.23456E-05 -0.32600E-05 2686 0.158E-02 2199 T= 7007. E= 0.67476280E+03 F= 0.63113397E+03 E0= 0.65978344E+03 EK= 0.57059E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325441476425E+03 -0.30646E+00 -0.14140E-01 8576 0.251E+01 0.215E-01 RMM: 2 -0.325459298803E+03 -0.17822E-01 -0.12773E-01 5216 0.784E-01 0.977E-01 RMM: 3 -0.325452003986E+03 0.72948E-02 -0.11990E-02 5837 0.221E-01 0.197E-01 RMM: 4 -0.325451682453E+03 0.32153E-03 -0.83072E-04 4776 0.618E-02 0.116E-01 RMM: 5 -0.325451602309E+03 0.80144E-04 -0.11369E-04 3760 0.273E-02 0.852E-02 RMM: 6 -0.325451565600E+03 0.36709E-04 -0.27610E-05 2681 0.160E-02 0.538E-02 RMM: 7 -0.325451564229E+03 0.13713E-05 -0.27164E-05 2638 0.150E-02 2200 T= 7013. E= 0.67476408E+03 F= 0.63081743E+03 E0= 0.65950507E+03 EK= 0.57113E+02 SP= -.13E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325725522957E+03 -0.27396E+00 -0.15033E-01 8704 0.250E+01 0.215E-01 RMM: 2 -0.325744739485E+03 -0.19217E-01 -0.13563E-01 5171 0.815E-01 0.103E+00 RMM: 3 -0.325736869270E+03 0.78702E-02 -0.12857E-02 5773 0.229E-01 0.211E-01 RMM: 4 -0.325736478261E+03 0.39101E-03 -0.89506E-04 4872 0.637E-02 0.101E-01 RMM: 5 -0.325736420004E+03 0.58257E-04 -0.11833E-04 3840 0.276E-02 0.851E-02 RMM: 6 -0.325736384000E+03 0.36003E-04 -0.28517E-05 2713 0.162E-02 0.558E-02 RMM: 7 -0.325736384476E+03 -0.47587E-06 -0.25317E-05 2615 0.147E-02 2201 T= 7014. E= 0.67476486E+03 F= 0.63053260E+03 E0= 0.65925948E+03 EK= 0.57114E+02 SP= -.13E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325984343222E+03 -0.24796E+00 -0.15661E-01 8664 0.248E+01 0.210E-01 RMM: 2 -0.326003066070E+03 -0.18723E-01 -0.14054E-01 5129 0.829E-01 0.952E-01 RMM: 3 -0.325996080869E+03 0.69852E-02 -0.13112E-02 5868 0.232E-01 0.181E-01 RMM: 4 -0.325995773272E+03 0.30760E-03 -0.83494E-04 4853 0.624E-02 0.110E-01 RMM: 5 -0.325995706865E+03 0.66407E-04 -0.11531E-04 3796 0.280E-02 0.823E-02 RMM: 6 -0.325995670646E+03 0.36219E-04 -0.29263E-05 2743 0.163E-02 0.491E-02 RMM: 7 -0.325995672592E+03 -0.19454E-05 -0.26230E-05 2609 0.152E-02 2202 T= 7008. E= 0.67476429E+03 F= 0.63027332E+03 E0= 0.65903715E+03 EK= 0.57067E+02 SP= -.13E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326206098875E+03 -0.21043E+00 -0.15974E-01 8904 0.247E+01 0.214E-01 RMM: 2 -0.326225697582E+03 -0.19599E-01 -0.13862E-01 5245 0.815E-01 0.103E+00 RMM: 3 -0.326217648921E+03 0.80487E-02 -0.12072E-02 5726 0.227E-01 0.213E-01 RMM: 4 -0.326217291803E+03 0.35712E-03 -0.91640E-04 4781 0.649E-02 0.103E-01 RMM: 5 -0.326217240406E+03 0.51397E-04 -0.13514E-04 3828 0.289E-02 0.911E-02 RMM: 6 -0.326217193245E+03 0.47161E-04 -0.36012E-05 2984 0.181E-02 0.469E-02 RMM: 7 -0.326217195939E+03 -0.26948E-05 -0.22429E-05 2572 0.140E-02 2203 T= 6995. E= 0.67476312E+03 F= 0.63005179E+03 E0= 0.65884668E+03 EK= 0.56961E+02 SP= -.12E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326361280946E+03 -0.14409E+00 -0.16847E-01 8904 0.247E+01 0.212E-01 RMM: 2 -0.326380472505E+03 -0.19192E-01 -0.14478E-01 5381 0.814E-01 0.960E-01 RMM: 3 -0.326373246509E+03 0.72260E-02 -0.11852E-02 5902 0.221E-01 0.193E-01 RMM: 4 -0.326372942504E+03 0.30400E-03 -0.82374E-04 4812 0.616E-02 0.107E-01 RMM: 5 -0.326372885556E+03 0.56948E-04 -0.12716E-04 3788 0.279E-02 0.888E-02 RMM: 6 -0.326372839750E+03 0.45806E-04 -0.34571E-05 2952 0.180E-02 0.437E-02 RMM: 7 -0.326372845994E+03 -0.62443E-05 -0.25669E-05 2587 0.147E-02 2204 T= 6971. E= 0.67476085E+03 F= 0.62989614E+03 E0= 0.65871385E+03 EK= 0.56769E+02 SP= -.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326411656460E+03 -0.38817E-01 -0.18182E-01 8904 0.246E+01 0.213E-01 RMM: 2 -0.326432590366E+03 -0.20934E-01 -0.16107E-01 5366 0.850E-01 0.963E-01 RMM: 3 -0.326424958845E+03 0.76315E-02 -0.12163E-02 5865 0.227E-01 0.208E-01 RMM: 4 -0.326424622025E+03 0.33682E-03 -0.89994E-04 4783 0.651E-02 0.116E-01 RMM: 5 -0.326424551046E+03 0.70979E-04 -0.14101E-04 3819 0.299E-02 0.904E-02 RMM: 6 -0.326424503522E+03 0.47524E-04 -0.39627E-05 3035 0.190E-02 0.445E-02 RMM: 7 -0.326424508590E+03 -0.50679E-05 -0.25429E-05 2601 0.148E-02 2205 T= 6933. E= 0.67475849E+03 F= 0.62984448E+03 E0= 0.65867461E+03 EK= 0.56455E+02 SP= -.12E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326322255012E+03 0.10225E+00 -0.18871E-01 8912 0.245E+01 0.218E-01 RMM: 2 -0.326343872061E+03 -0.21617E-01 -0.16920E-01 5428 0.863E-01 0.963E-01 RMM: 3 -0.326336146040E+03 0.77260E-02 -0.12542E-02 5948 0.229E-01 0.198E-01 RMM: 4 -0.326335835403E+03 0.31064E-03 -0.88417E-04 4851 0.640E-02 0.118E-01 RMM: 5 -0.326335764724E+03 0.70679E-04 -0.13611E-04 3811 0.291E-02 0.948E-02 RMM: 6 -0.326335710967E+03 0.53756E-04 -0.40114E-05 3038 0.192E-02 0.441E-02 RMM: 7 -0.326335716690E+03 -0.57230E-05 -0.29379E-05 2641 0.158E-02 2206 T= 6875. E= 0.67475686E+03 F= 0.62993327E+03 E0= 0.65876630E+03 EK= 0.55986E+02 SP= -.11E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326068935537E+03 0.26678E+00 -0.18652E-01 8856 0.243E+01 0.213E-01 RMM: 2 -0.326091224112E+03 -0.22289E-01 -0.17025E-01 5524 0.848E-01 0.997E-01 RMM: 3 -0.326082776044E+03 0.84481E-02 -0.11764E-02 5797 0.226E-01 0.210E-01 RMM: 4 -0.326082463889E+03 0.31215E-03 -0.96404E-04 4759 0.667E-02 0.120E-01 RMM: 5 -0.326082383142E+03 0.80748E-04 -0.14499E-04 3826 0.296E-02 0.885E-02 RMM: 6 -0.326082338264E+03 0.44877E-04 -0.37480E-05 3007 0.187E-02 0.457E-02 RMM: 7 -0.326082343628E+03 -0.53636E-05 -0.25078E-05 2608 0.146E-02 2207 T= 6796. E= 0.67475652E+03 F= 0.63018665E+03 E0= 0.65901354E+03 EK= 0.55342E+02 SP= -.11E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325646399373E+03 0.43594E+00 -0.18837E-01 8800 0.242E+01 0.213E-01 RMM: 2 -0.325668670258E+03 -0.22271E-01 -0.17675E-01 5373 0.892E-01 0.949E-01 RMM: 3 -0.325661243413E+03 0.74268E-02 -0.13941E-02 5897 0.239E-01 0.202E-01 RMM: 4 -0.325660895656E+03 0.34776E-03 -0.91109E-04 4890 0.651E-02 0.113E-01 RMM: 5 -0.325660829952E+03 0.65704E-04 -0.13557E-04 3829 0.290E-02 0.930E-02 RMM: 6 -0.325660778429E+03 0.51523E-04 -0.38791E-05 3020 0.188E-02 0.453E-02 RMM: 7 -0.325660782491E+03 -0.40621E-05 -0.33028E-05 2690 0.166E-02 2208 T= 6696. E= 0.67475788E+03 F= 0.63060821E+03 E0= 0.65942349E+03 EK= 0.54526E+02 SP= -.11E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325080848127E+03 0.57993E+00 -0.17493E-01 8896 0.240E+01 0.198E-01 RMM: 2 -0.325101232373E+03 -0.20384E-01 -0.15711E-01 5583 0.810E-01 0.943E-01 RMM: 3 -0.325093495266E+03 0.77371E-02 -0.10652E-02 5799 0.216E-01 0.178E-01 RMM: 4 -0.325093271182E+03 0.22408E-03 -0.85212E-04 4766 0.629E-02 0.122E-01 RMM: 5 -0.325093181664E+03 0.89518E-04 -0.12293E-04 3752 0.278E-02 0.815E-02 RMM: 6 -0.325093145505E+03 0.36159E-04 -0.30085E-05 2842 0.171E-02 0.458E-02 RMM: 7 -0.325093149042E+03 -0.35370E-05 -0.23745E-05 2598 0.139E-02 2209 T= 6577. E= 0.67476046E+03 F= 0.63117584E+03 E0= 0.65997521E+03 EK= 0.53563E+02 SP= -.10E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324410787599E+03 0.68236E+00 -0.16755E-01 8808 0.237E+01 0.185E-01 RMM: 2 -0.324429107210E+03 -0.18320E-01 -0.15391E-01 5497 0.808E-01 0.788E-01 RMM: 3 -0.324423168802E+03 0.59384E-02 -0.10990E-02 5943 0.215E-01 0.170E-01 RMM: 4 -0.324422939468E+03 0.22933E-03 -0.70291E-04 4853 0.566E-02 0.110E-01 RMM: 5 -0.324422865479E+03 0.73989E-04 -0.96639E-05 3641 0.257E-02 0.811E-02 RMM: 6 -0.324422829805E+03 0.35674E-04 -0.29714E-05 2772 0.169E-02 0.476E-02 RMM: 7 -0.324422832895E+03 -0.30909E-05 -0.33981E-05 2694 0.166E-02 2210 T= 6447. E= 0.67476450E+03 F= 0.63184616E+03 E0= 0.66062818E+03 EK= 0.52503E+02 SP= -.99E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323698574197E+03 0.72426E+00 -0.15639E-01 8720 0.235E+01 0.177E-01 RMM: 2 -0.323715612045E+03 -0.17038E-01 -0.14004E-01 5569 0.771E-01 0.791E-01 RMM: 3 -0.323709735017E+03 0.58770E-02 -0.95152E-03 5861 0.202E-01 0.163E-01 RMM: 4 -0.323709551862E+03 0.18315E-03 -0.69459E-04 4758 0.571E-02 0.118E-01 RMM: 5 -0.323709463846E+03 0.88015E-04 -0.99790E-05 3652 0.260E-02 0.755E-02 RMM: 6 -0.323709435277E+03 0.28569E-04 -0.25754E-05 2651 0.159E-02 0.478E-02 RMM: 7 -0.323709439099E+03 -0.38214E-05 -0.26044E-05 2617 0.143E-02 2211 T= 6313. E= 0.67476885E+03 F= 0.63255955E+03 E0= 0.66132256E+03 EK= 0.51411E+02 SP= -.95E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323007480025E+03 0.70196E+00 -0.14332E-01 8600 0.233E+01 0.187E-01 RMM: 2 -0.323023986987E+03 -0.16507E-01 -0.13107E-01 5542 0.750E-01 0.824E-01 RMM: 3 -0.323017754458E+03 0.62325E-02 -0.91138E-03 5890 0.200E-01 0.171E-01 RMM: 4 -0.323017560480E+03 0.19398E-03 -0.66947E-04 4759 0.553E-02 0.110E-01 RMM: 5 -0.323017486594E+03 0.73885E-04 -0.95005E-05 3610 0.249E-02 0.785E-02 RMM: 6 -0.323017455320E+03 0.31275E-04 -0.26745E-05 2690 0.163E-02 0.471E-02 RMM: 7 -0.323017460669E+03 -0.53488E-05 -0.22151E-05 2575 0.135E-02 2212 T= 6183. E= 0.67477317E+03 F= 0.63325153E+03 E0= 0.66199543E+03 EK= 0.50355E+02 SP= -.91E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322397264058E+03 0.62019E+00 -0.13967E-01 8544 0.231E+01 0.193E-01 RMM: 2 -0.322414598268E+03 -0.17334E-01 -0.13342E-01 5288 0.778E-01 0.869E-01 RMM: 3 -0.322408122237E+03 0.64760E-02 -0.11317E-02 5844 0.215E-01 0.173E-01 RMM: 4 -0.322407877318E+03 0.24492E-03 -0.75059E-04 4788 0.585E-02 0.111E-01 RMM: 5 -0.322407806452E+03 0.70867E-04 -0.10181E-04 3682 0.261E-02 0.793E-02 RMM: 6 -0.322407774390E+03 0.32062E-04 -0.27407E-05 2695 0.161E-02 0.488E-02 RMM: 7 -0.322407781327E+03 -0.69368E-05 -0.25896E-05 2617 0.147E-02 2213 T= 6066. E= 0.67477650E+03 F= 0.63386121E+03 E0= 0.66258472E+03 EK= 0.49398E+02 SP= -.87E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321917320547E+03 0.49045E+00 -0.12855E-01 8432 0.229E+01 0.200E-01 RMM: 2 -0.321932878179E+03 -0.15558E-01 -0.12041E-01 5228 0.757E-01 0.852E-01 RMM: 3 -0.321927078321E+03 0.57999E-02 -0.10904E-02 5924 0.209E-01 0.157E-01 RMM: 4 -0.321926872931E+03 0.20539E-03 -0.71752E-04 4795 0.573E-02 0.123E-01 RMM: 5 -0.321926786715E+03 0.86216E-04 -0.10644E-04 3705 0.269E-02 0.770E-02 RMM: 6 -0.321926754045E+03 0.32671E-04 -0.28918E-05 2768 0.166E-02 0.438E-02 RMM: 7 -0.321926759503E+03 -0.54577E-05 -0.25160E-05 2581 0.150E-02 2214 T= 5967. E= 0.67477826E+03 F= 0.63434223E+03 E0= 0.66304605E+03 EK= 0.48591E+02 SP= -.84E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321588736542E+03 0.33802E+00 -0.12564E-01 8392 0.228E+01 0.195E-01 RMM: 2 -0.321604283173E+03 -0.15547E-01 -0.11528E-01 5205 0.742E-01 0.880E-01 RMM: 3 -0.321598163041E+03 0.61201E-02 -0.10566E-02 5842 0.207E-01 0.181E-01 RMM: 4 -0.321597902330E+03 0.26071E-03 -0.72111E-04 4778 0.576E-02 0.108E-01 RMM: 5 -0.321597840287E+03 0.62043E-04 -0.10623E-04 3711 0.261E-02 0.814E-02 RMM: 6 -0.321597803484E+03 0.36804E-04 -0.30642E-05 2867 0.171E-02 0.444E-02 RMM: 7 -0.321597809998E+03 -0.65146E-05 -0.28997E-05 2614 0.158E-02 2215 T= 5889. E= 0.67477834E+03 F= 0.63467118E+03 E0= 0.66335552E+03 EK= 0.47957E+02 SP= -.81E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321409421925E+03 0.18838E+00 -0.12173E-01 8552 0.228E+01 0.191E-01 RMM: 2 -0.321423986268E+03 -0.14564E-01 -0.11502E-01 5112 0.759E-01 0.810E-01 RMM: 3 -0.321419003462E+03 0.49828E-02 -0.11634E-02 5940 0.210E-01 0.156E-01 RMM: 4 -0.321418775056E+03 0.22841E-03 -0.70102E-04 4806 0.570E-02 0.113E-01 RMM: 5 -0.321418700895E+03 0.74161E-04 -0.10696E-04 3688 0.260E-02 0.709E-02 RMM: 6 -0.321418674171E+03 0.26725E-04 -0.28086E-05 2691 0.161E-02 0.395E-02 RMM: 7 -0.321418679590E+03 -0.54192E-05 -0.21403E-05 2530 0.141E-02 2216 T= 5832. E= 0.67477660E+03 F= 0.63485031E+03 E0= 0.66351763E+03 EK= 0.47496E+02 SP= -.77E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321355299197E+03 0.63375E-01 -0.11729E-01 8776 0.227E+01 0.178E-01 RMM: 2 -0.321369448413E+03 -0.14149E-01 -0.11200E-01 5237 0.734E-01 0.782E-01 RMM: 3 -0.321364678124E+03 0.47703E-02 -0.10538E-02 5994 0.196E-01 0.163E-01 RMM: 4 -0.321364448332E+03 0.22979E-03 -0.63038E-04 4645 0.556E-02 0.110E-01 RMM: 5 -0.321364377049E+03 0.71284E-04 -0.10314E-04 3641 0.251E-02 0.730E-02 RMM: 6 -0.321364350345E+03 0.26704E-04 -0.28191E-05 2746 0.163E-02 0.427E-02 RMM: 7 -0.321364355545E+03 -0.52002E-05 -0.32703E-05 2629 0.171E-02 2217 T= 5794. E= 0.67477385E+03 F= 0.63490463E+03 E0= 0.66355698E+03 EK= 0.47184E+02 SP= -.75E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321387337669E+03 -0.22987E-01 -0.11953E-01 8816 0.227E+01 0.193E-01 RMM: 2 -0.321404378910E+03 -0.17041E-01 -0.13782E-01 5102 0.817E-01 0.834E-01 RMM: 3 -0.321399049690E+03 0.53292E-02 -0.13762E-02 6093 0.218E-01 0.165E-01 RMM: 4 -0.321398719837E+03 0.32985E-03 -0.75810E-04 4775 0.614E-02 0.115E-01 RMM: 5 -0.321398644361E+03 0.75476E-04 -0.11764E-04 3748 0.268E-02 0.717E-02 RMM: 6 -0.321398619026E+03 0.25336E-04 -0.26249E-05 2630 0.157E-02 0.440E-02 RMM: 7 -0.321398623132E+03 -0.41061E-05 -0.21003E-05 2522 0.139E-02 2218 T= 5770. E= 0.67477139E+03 F= 0.63487037E+03 E0= 0.66351119E+03 EK= 0.46986E+02 SP= -.72E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321476620059E+03 -0.78001E-01 -0.12650E-01 8936 0.227E+01 0.177E-01 RMM: 2 -0.321493375881E+03 -0.16756E-01 -0.14495E-01 5430 0.804E-01 0.718E-01 RMM: 3 -0.321488787585E+03 0.45883E-02 -0.11746E-02 6099 0.202E-01 0.156E-01 RMM: 4 -0.321488540769E+03 0.24682E-03 -0.66097E-04 4662 0.562E-02 0.119E-01 RMM: 5 -0.321488449313E+03 0.91456E-04 -0.98166E-05 3676 0.251E-02 0.702E-02 RMM: 6 -0.321488430100E+03 0.19213E-04 -0.23275E-05 2573 0.147E-02 2219 T= 5756. E= 0.67476988E+03 F= 0.63478056E+03 E0= 0.66341201E+03 EK= 0.46870E+02 SP= -.70E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321603579264E+03 -0.11513E+00 -0.13178E-01 9024 0.227E+01 0.253E-01 RMM: 2 -0.321629368780E+03 -0.25790E-01 -0.15131E-01 5319 0.828E-01 0.136E+00 RMM: 3 -0.321616033137E+03 0.13336E-01 -0.13688E-02 5662 0.246E-01 0.270E-01 RMM: 4 -0.321615454927E+03 0.57821E-03 -0.12258E-03 4832 0.721E-02 0.101E-01 RMM: 5 -0.321615410638E+03 0.44289E-04 -0.15827E-04 4223 0.281E-02 0.841E-02 RMM: 6 -0.321615386566E+03 0.24072E-04 -0.24493E-05 2589 0.147E-02 0.728E-02 RMM: 7 -0.321615404186E+03 -0.17620E-04 -0.42491E-05 3060 0.186E-02 2220 T= 5749. E= 0.67476924E+03 F= 0.63465359E+03 E0= 0.66327817E+03 EK= 0.46817E+02 SP= -.68E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321770353297E+03 -0.15497E+00 -0.13240E-01 9008 0.226E+01 0.266E-01 RMM: 2 -0.321793319933E+03 -0.22967E-01 -0.14559E-01 5522 0.789E-01 0.123E+00 RMM: 3 -0.321781826678E+03 0.11493E-01 -0.11876E-02 5436 0.238E-01 0.275E-01 RMM: 4 -0.321781350104E+03 0.47657E-03 -0.14084E-03 4734 0.795E-02 0.135E-01 RMM: 5 -0.321781303032E+03 0.47071E-04 -0.21566E-04 3899 0.354E-02 0.118E-01 RMM: 6 -0.321781213775E+03 0.89258E-04 -0.56525E-05 3307 0.221E-02 0.405E-02 RMM: 7 -0.321781215871E+03 -0.20961E-05 -0.17189E-05 2525 0.124E-02 2221 T= 5751. E= 0.67477007E+03 F= 0.63448777E+03 E0= 0.66310647E+03 EK= 0.46831E+02 SP= -.66E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321993053973E+03 -0.21184E+00 -0.13849E-01 8960 0.225E+01 0.270E-01 RMM: 2 -0.322020484335E+03 -0.27430E-01 -0.15737E-01 5512 0.832E-01 0.142E+00 RMM: 3 -0.322005721401E+03 0.14763E-01 -0.14054E-02 5593 0.250E-01 0.265E-01 RMM: 4 -0.322005180964E+03 0.54044E-03 -0.13346E-03 4813 0.741E-02 0.116E-01 RMM: 5 -0.322005108910E+03 0.72054E-04 -0.17217E-04 3940 0.307E-02 0.884E-02 RMM: 6 -0.322005069175E+03 0.39736E-04 -0.30665E-05 2793 0.165E-02 0.658E-02 RMM: 7 -0.322005074014E+03 -0.48389E-05 -0.30448E-05 2642 0.156E-02 2222 T= 5763. E= 0.67477161E+03 F= 0.63426392E+03 E0= 0.66287712E+03 EK= 0.46928E+02 SP= -.65E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322305629840E+03 -0.30056E+00 -0.13664E-01 8952 0.225E+01 0.213E-01 RMM: 2 -0.322325857810E+03 -0.20228E-01 -0.14805E-01 5618 0.791E-01 0.101E+00 RMM: 3 -0.322317624812E+03 0.82330E-02 -0.11275E-02 5586 0.222E-01 0.191E-01 RMM: 4 -0.322317385370E+03 0.23944E-03 -0.99531E-04 4950 0.628E-02 0.113E-01 RMM: 5 -0.322317319335E+03 0.66035E-04 -0.12407E-04 3750 0.274E-02 0.800E-02 RMM: 6 -0.322317286009E+03 0.33326E-04 -0.30941E-05 2809 0.165E-02 0.490E-02 RMM: 7 -0.322317291016E+03 -0.50070E-05 -0.22643E-05 2559 0.143E-02 2223 T= 5789. E= 0.67477291E+03 F= 0.63395170E+03 E0= 0.66255941E+03 EK= 0.47139E+02 SP= -.63E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322737680810E+03 -0.42039E+00 -0.14414E-01 8976 0.225E+01 0.228E-01 RMM: 2 -0.322760491380E+03 -0.22811E-01 -0.16145E-01 5385 0.852E-01 0.110E+00 RMM: 3 -0.322751124939E+03 0.93664E-02 -0.14224E-02 5897 0.236E-01 0.233E-01 RMM: 4 -0.322750646101E+03 0.47884E-03 -0.10912E-03 4741 0.715E-02 0.119E-01 RMM: 5 -0.322750576118E+03 0.69982E-04 -0.16459E-04 3897 0.300E-02 0.916E-02 RMM: 6 -0.322750531782E+03 0.44337E-04 -0.31607E-05 2852 0.171E-02 0.568E-02 RMM: 7 -0.322750537255E+03 -0.54733E-05 -0.28068E-05 2623 0.150E-02 2224 T= 5832. E= 0.67477401E+03 F= 0.63351845E+03 E0= 0.66211996E+03 EK= 0.47493E+02 SP= -.62E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323318344037E+03 -0.56781E+00 -0.14845E-01 8728 0.225E+01 0.212E-01 RMM: 2 -0.323340187404E+03 -0.21843E-01 -0.16671E-01 5353 0.872E-01 0.991E-01 RMM: 3 -0.323332278369E+03 0.79090E-02 -0.13721E-02 5751 0.239E-01 0.196E-01 RMM: 4 -0.323331951181E+03 0.32719E-03 -0.97974E-04 4929 0.652E-02 0.112E-01 RMM: 5 -0.323331883050E+03 0.68131E-04 -0.12995E-04 3949 0.282E-02 0.810E-02 RMM: 6 -0.323331850944E+03 0.32106E-04 -0.31566E-05 2858 0.170E-02 0.490E-02 RMM: 7 -0.323331860571E+03 -0.96272E-05 -0.25257E-05 2584 0.151E-02 2225 T= 5896. E= 0.67477368E+03 F= 0.63293713E+03 E0= 0.66153139E+03 EK= 0.48017E+02 SP= -.62E+01 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324056777366E+03 -0.72493E+00 -0.15618E-01 8800 0.226E+01 0.214E-01 RMM: 2 -0.324079225399E+03 -0.22448E-01 -0.17314E-01 5164 0.915E-01 0.988E-01 RMM: 3 -0.324071683262E+03 0.75421E-02 -0.15843E-02 5963 0.245E-01 0.202E-01 RMM: 4 -0.324071231043E+03 0.45222E-03 -0.95839E-04 4769 0.700E-02 0.120E-01 RMM: 5 -0.324071159337E+03 0.71705E-04 -0.15043E-04 3874 0.311E-02 0.864E-02 RMM: 6 -0.324071119273E+03 0.40064E-04 -0.33475E-05 2867 0.173E-02 0.501E-02 RMM: 7 -0.324071125092E+03 -0.58191E-05 -0.24355E-05 2569 0.148E-02 2226 T= 5982. E= 0.67477177E+03 F= 0.63219786E+03 E0= 0.66078376E+03 EK= 0.48718E+02 SP= -.61E+01 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324941362600E+03 -0.87024E+00 -0.15475E-01 8848 0.227E+01 0.228E-01 RMM: 2 -0.324963461659E+03 -0.22099E-01 -0.16247E-01 5137 0.892E-01 0.105E+00 RMM: 3 -0.324954955277E+03 0.85064E-02 -0.15285E-02 5796 0.254E-01 0.198E-01 RMM: 4 -0.324954601157E+03 0.35412E-03 -0.10601E-03 5040 0.670E-02 0.106E-01 RMM: 5 -0.324954541446E+03 0.59711E-04 -0.14427E-04 3917 0.312E-02 0.853E-02 RMM: 6 -0.324954500836E+03 0.40610E-04 -0.38087E-05 2980 0.181E-02 0.463E-02 RMM: 7 -0.324954507118E+03 -0.62823E-05 -0.26287E-05 2573 0.157E-02 2227 T= 6088. E= 0.67476844E+03 F= 0.63131448E+03 E0= 0.65989050E+03 EK= 0.49579E+02 SP= -.61E+01 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325930613132E+03 -0.97611E+00 -0.15767E-01 8584 0.229E+01 0.201E-01 RMM: 2 -0.325952761457E+03 -0.22148E-01 -0.17815E-01 5056 0.949E-01 0.916E-01 RMM: 3 -0.325946024373E+03 0.67371E-02 -0.17213E-02 6004 0.248E-01 0.182E-01 RMM: 4 -0.325945596853E+03 0.42752E-03 -0.89872E-04 4836 0.687E-02 0.120E-01 RMM: 5 -0.325945508434E+03 0.88419E-04 -0.14307E-04 3888 0.319E-02 0.761E-02 RMM: 6 -0.325945478437E+03 0.29997E-04 -0.33771E-05 2835 0.171E-02 0.487E-02 RMM: 7 -0.325945482330E+03 -0.38936E-05 -0.27235E-05 2569 0.158E-02 2228 T= 6209. E= 0.67476391E+03 F= 0.63032351E+03 E0= 0.65888802E+03 EK= 0.50561E+02 SP= -.61E+01 SK= 0.14E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.326980144781E+03 -0.10347E+01 -0.14141E-01 8560 0.232E+01 0.216E-01 RMM: 2 -0.326999527562E+03 -0.19383E-01 -0.14855E-01 5131 0.868E-01 0.951E-01 RMM: 3 -0.326992461570E+03 0.70660E-02 -0.14105E-02 5819 0.241E-01 0.193E-01 RMM: 4 -0.326992128322E+03 0.33325E-03 -0.88576E-04 4926 0.636E-02 0.109E-01 RMM: 5 -0.326992056988E+03 0.71334E-04 -0.13413E-04 3857 0.315E-02 0.838E-02 RMM: 6 -0.326992018406E+03 0.38582E-04 -0.38167E-05 2978 0.181E-02 0.487E-02 RMM: 7 -0.326992016676E+03 0.17298E-05 -0.32812E-05 2606 0.173E-02 2229 T= 6337. E= 0.67475856E+03 F= 0.62927697E+03 E0= 0.65782812E+03 EK= 0.51608E+02 SP= -.61E+01 SK= 0.18E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328023994927E+03 -0.10320E+01 -0.13667E-01 8472 0.235E+01 0.180E-01 RMM: 2 -0.328040960006E+03 -0.16965E-01 -0.14257E-01 5116 0.850E-01 0.766E-01 RMM: 3 -0.328036116471E+03 0.48435E-02 -0.13776E-02 6068 0.222E-01 0.160E-01 RMM: 4 -0.328035806695E+03 0.30978E-03 -0.68692E-04 4695 0.612E-02 0.121E-01 RMM: 5 -0.328035703231E+03 0.10346E-03 -0.12204E-04 3801 0.303E-02 0.684E-02 RMM: 6 -0.328035684874E+03 0.18358E-04 -0.28423E-05 2628 0.157E-02 2230 T= 6466. E= 0.67475303E+03 F= 0.62823330E+03 E0= 0.65676954E+03 EK= 0.52659E+02 SP= -.61E+01 SK= 0.35E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329008429775E+03 -0.97273E+00 -0.13141E-01 8416 0.238E+01 0.216E-01 RMM: 2 -0.329028254490E+03 -0.19825E-01 -0.12915E-01 5231 0.805E-01 0.109E+00 RMM: 3 -0.329018982463E+03 0.92720E-02 -0.11865E-02 5570 0.233E-01 0.201E-01 RMM: 4 -0.329018674529E+03 0.30793E-03 -0.91161E-04 4861 0.629E-02 0.995E-02 RMM: 5 -0.329018603737E+03 0.70792E-04 -0.11314E-04 3859 0.286E-02 0.736E-02 RMM: 6 -0.329018585666E+03 0.18071E-04 -0.28710E-05 2594 0.157E-02 2231 T= 6588. E= 0.67474852E+03 F= 0.62725040E+03 E0= 0.65577075E+03 EK= 0.53651E+02 SP= -.62E+01 SK= 0.30E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329884340760E+03 -0.86574E+00 -0.12838E-01 7944 0.241E+01 0.303E-01 RMM: 2 -0.329914436841E+03 -0.30096E-01 -0.13472E-01 5030 0.859E-01 0.164E+00 RMM: 3 -0.329895253401E+03 0.19183E-01 -0.16754E-02 5432 0.297E-01 0.314E-01 RMM: 4 -0.329894543257E+03 0.71014E-03 -0.17198E-03 4947 0.857E-02 0.921E-02 RMM: 5 -0.329894485880E+03 0.57377E-04 -0.18962E-04 4185 0.315E-02 0.872E-02 RMM: 6 -0.329894450358E+03 0.35523E-04 -0.34181E-05 2760 0.180E-02 0.574E-02 RMM: 7 -0.329894465156E+03 -0.14799E-04 -0.41846E-05 2944 0.185E-02 2232 T= 6697. E= 0.67474499E+03 F= 0.62637452E+03 E0= 0.65487925E+03 EK= 0.54534E+02 SP= -.62E+01 SK= 0.92E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.330628486884E+03 -0.73404E+00 -0.12315E-01 7984 0.244E+01 0.295E-01 RMM: 2 -0.330653970656E+03 -0.25484E-01 -0.12078E-01 5040 0.807E-01 0.150E+00 RMM: 3 -0.330638129017E+03 0.15842E-01 -0.14251E-02 5425 0.274E-01 0.318E-01 RMM: 4 -0.330637446298E+03 0.68272E-03 -0.16522E-03 4888 0.877E-02 0.119E-01 RMM: 5 -0.330637427646E+03 0.18652E-04 -0.22909E-04 3894 0.381E-02 0.123E-01 RMM: 6 -0.330637327875E+03 0.99771E-04 -0.62198E-05 3374 0.230E-02 0.390E-02 RMM: 7 -0.330637334473E+03 -0.65981E-05 -0.22598E-05 2570 0.145E-02 2233 T= 6788. E= 0.67474378E+03 F= 0.62563165E+03 E0= 0.65412124E+03 EK= 0.55279E+02 SP= -.62E+01 SK= 0.13E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.331234550729E+03 -0.59722E+00 -0.12665E-01 7704 0.246E+01 0.199E-01 RMM: 2 -0.331251281822E+03 -0.16731E-01 -0.12283E-01 5071 0.799E-01 0.918E-01 RMM: 3 -0.331244928540E+03 0.63533E-02 -0.12765E-02 5782 0.225E-01 0.164E-01 RMM: 4 -0.331244677352E+03 0.25119E-03 -0.75417E-04 4801 0.599E-02 0.118E-01 RMM: 5 -0.331244572331E+03 0.10502E-03 -0.10943E-04 3768 0.279E-02 0.705E-02 RMM: 6 -0.331244551317E+03 0.21015E-04 -0.28448E-05 2605 0.161E-02 0.518E-02 RMM: 7 -0.331244546986E+03 0.43303E-05 -0.32789E-05 2657 0.157E-02 2234 T= 6862. E= 0.67474468E+03 F= 0.62502444E+03 E0= 0.65349938E+03 EK= 0.55879E+02 SP= -.62E+01 SK= 0.45E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331724599109E+03 -0.48005E+00 -0.12575E-01 7688 0.247E+01 0.181E-01 RMM: 2 -0.331738497203E+03 -0.13898E-01 -0.11412E-01 5033 0.792E-01 0.743E-01 RMM: 3 -0.331734414919E+03 0.40823E-02 -0.12423E-02 6058 0.207E-01 0.139E-01 RMM: 4 -0.331734152437E+03 0.26248E-03 -0.60398E-04 4659 0.586E-02 0.126E-01 RMM: 5 -0.331734044727E+03 0.10771E-03 -0.10159E-04 3664 0.289E-02 0.639E-02 RMM: 6 -0.331734028179E+03 0.16548E-04 -0.26400E-05 2577 0.154E-02 2235 T= 6919. E= 0.67474644E+03 F= 0.62453496E+03 E0= 0.65299681E+03 EK= 0.56347E+02 SP= -.61E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332123129688E+03 -0.38908E+00 -0.13539E-01 7496 0.248E+01 0.219E-01 RMM: 2 -0.332144926689E+03 -0.21797E-01 -0.14707E-01 4841 0.910E-01 0.111E+00 RMM: 3 -0.332136131527E+03 0.87952E-02 -0.17605E-02 5741 0.256E-01 0.195E-01 RMM: 4 -0.332135706092E+03 0.42543E-03 -0.10249E-03 4878 0.697E-02 0.114E-01 RMM: 5 -0.332135613886E+03 0.92206E-04 -0.13976E-04 4056 0.312E-02 0.677E-02 RMM: 6 -0.332135592495E+03 0.21391E-04 -0.30314E-05 2662 0.162E-02 0.578E-02 RMM: 7 -0.332135591652E+03 0.84361E-06 -0.47558E-05 3066 0.204E-02 2236 T= 6964. E= 0.67474774E+03 F= 0.62413340E+03 E0= 0.65258286E+03 EK= 0.56709E+02 SP= -.61E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332470948570E+03 -0.33536E+00 -0.12667E-01 7360 0.249E+01 0.251E-01 RMM: 2 -0.332488470516E+03 -0.17522E-01 -0.10774E-01 4933 0.817E-01 0.113E+00 RMM: 3 -0.332479758790E+03 0.87117E-02 -0.12757E-02 5558 0.241E-01 0.238E-01 RMM: 4 -0.332479358342E+03 0.40045E-03 -0.11326E-03 4730 0.763E-02 0.118E-01 RMM: 5 -0.332479300399E+03 0.57943E-04 -0.17213E-04 3891 0.326E-02 0.958E-02 RMM: 6 -0.332479244972E+03 0.55427E-04 -0.40342E-05 3014 0.194E-02 0.357E-02 RMM: 7 -0.332479247399E+03 -0.24274E-05 -0.19685E-05 2519 0.139E-02 2237 T= 6999. E= 0.67474885E+03 F= 0.62378974E+03 E0= 0.65222759E+03 EK= 0.56994E+02 SP= -.60E+01 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332773487105E+03 -0.29424E+00 -0.13566E-01 7568 0.249E+01 0.213E-01 RMM: 2 -0.332793650862E+03 -0.20164E-01 -0.13681E-01 4803 0.892E-01 0.107E+00 RMM: 3 -0.332785479141E+03 0.81717E-02 -0.16366E-02 5748 0.245E-01 0.165E-01 RMM: 4 -0.332785140455E+03 0.33869E-03 -0.88936E-04 4768 0.672E-02 0.112E-01 RMM: 5 -0.332785060703E+03 0.79752E-04 -0.13590E-04 3905 0.323E-02 0.680E-02 RMM: 6 -0.332785035695E+03 0.25008E-04 -0.32731E-05 2708 0.166E-02 0.439E-02 RMM: 7 -0.332785038005E+03 -0.23103E-05 -0.23966E-05 2539 0.151E-02 2238 T= 7027. E= 0.67474975E+03 F= 0.62348395E+03 E0= 0.65191061E+03 EK= 0.57220E+02 SP= -.60E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333046960532E+03 -0.26192E+00 -0.13348E-01 7488 0.250E+01 0.178E-01 RMM: 2 -0.333059674182E+03 -0.12714E-01 -0.11040E-01 4884 0.820E-01 0.673E-01 RMM: 3 -0.333056566922E+03 0.31073E-02 -0.13008E-02 5902 0.216E-01 0.116E-01 RMM: 4 -0.333056350025E+03 0.21690E-03 -0.62876E-04 4839 0.569E-02 0.115E-01 RMM: 5 -0.333056266558E+03 0.83467E-04 -0.99657E-05 3710 0.297E-02 0.582E-02 RMM: 6 -0.333056248669E+03 0.17888E-04 -0.25244E-05 2564 0.152E-02 2239 T= 7047. E= 0.67474952E+03 F= 0.62321274E+03 E0= 0.65162870E+03 EK= 0.57388E+02 SP= -.59E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333271319865E+03 -0.21505E+00 -0.13560E-01 7440 0.250E+01 0.197E-01 RMM: 2 -0.333289015251E+03 -0.17695E-01 -0.12173E-01 4823 0.850E-01 0.101E+00 RMM: 3 -0.333282012482E+03 0.70028E-02 -0.14604E-02 5689 0.239E-01 0.166E-01 RMM: 4 -0.333281699599E+03 0.31288E-03 -0.82117E-04 4750 0.639E-02 0.966E-02 RMM: 5 -0.333281640945E+03 0.58654E-04 -0.11516E-04 3897 0.301E-02 0.659E-02 RMM: 6 -0.333281620419E+03 0.20527E-04 -0.25910E-05 2550 0.147E-02 0.505E-02 RMM: 7 -0.333281615751E+03 0.46682E-05 -0.31820E-05 2616 0.174E-02 2240 T= 7059. E= 0.67474893E+03 F= 0.62298737E+03 E0= 0.65139319E+03 EK= 0.57487E+02 SP= -.58E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333437584121E+03 -0.15596E+00 -0.13311E-01 7536 0.250E+01 0.211E-01 RMM: 2 -0.333452796272E+03 -0.15212E-01 -0.11211E-01 4811 0.832E-01 0.906E-01 RMM: 3 -0.333447323696E+03 0.54726E-02 -0.13987E-02 5671 0.240E-01 0.205E-01 RMM: 4 -0.333446961437E+03 0.36226E-03 -0.91356E-04 4732 0.685E-02 0.106E-01 RMM: 5 -0.333446920385E+03 0.41052E-04 -0.14460E-04 3860 0.321E-02 0.943E-02 RMM: 6 -0.333446864695E+03 0.55690E-04 -0.37540E-05 2975 0.187E-02 0.377E-02 RMM: 7 -0.333446865391E+03 -0.69623E-06 -0.16691E-05 2501 0.131E-02 2241 T= 7061. E= 0.67474859E+03 F= 0.62282212E+03 E0= 0.65121768E+03 EK= 0.57503E+02 SP= -.56E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333531916973E+03 -0.85052E-01 -0.13204E-01 7560 0.249E+01 0.175E-01 RMM: 2 -0.333546052927E+03 -0.14136E-01 -0.11012E-01 4899 0.799E-01 0.819E-01 RMM: 3 -0.333541543323E+03 0.45096E-02 -0.12639E-02 5814 0.217E-01 0.155E-01 RMM: 4 -0.333541292852E+03 0.25047E-03 -0.64691E-04 4663 0.602E-02 0.116E-01 RMM: 5 -0.333541201861E+03 0.90991E-04 -0.10272E-04 3663 0.291E-02 0.664E-02 RMM: 6 -0.333541181567E+03 0.20294E-04 -0.27497E-05 2593 0.157E-02 0.479E-02 RMM: 7 -0.333541174936E+03 0.66307E-05 -0.30063E-05 2595 0.166E-02 2242 T= 7052. E= 0.67474894E+03 F= 0.62272781E+03 E0= 0.65111336E+03 EK= 0.57425E+02 SP= -.55E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333551352645E+03 -0.10171E-01 -0.13086E-01 7472 0.249E+01 0.167E-01 RMM: 2 -0.333564699910E+03 -0.13347E-01 -0.11888E-01 4820 0.835E-01 0.637E-01 RMM: 3 -0.333561896812E+03 0.28031E-02 -0.14300E-02 5992 0.223E-01 0.126E-01 RMM: 4 -0.333561652544E+03 0.24427E-03 -0.61316E-04 4709 0.607E-02 0.120E-01 RMM: 5 -0.333561560526E+03 0.92017E-04 -0.10001E-04 3618 0.296E-02 0.671E-02 RMM: 6 -0.333561538406E+03 0.22120E-04 -0.27445E-05 2594 0.160E-02 0.427E-02 RMM: 7 -0.333561533815E+03 0.45914E-05 -0.21571E-05 2532 0.141E-02 2243 T= 7030. E= 0.67475001E+03 F= 0.62270746E+03 E0= 0.65108139E+03 EK= 0.57252E+02 SP= -.53E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333505556397E+03 0.55982E-01 -0.13824E-01 7496 0.247E+01 0.174E-01 RMM: 2 -0.333520373457E+03 -0.14817E-01 -0.12589E-01 4882 0.852E-01 0.735E-01 RMM: 3 -0.333516659119E+03 0.37143E-02 -0.14526E-02 5980 0.222E-01 0.145E-01 RMM: 4 -0.333516379715E+03 0.27940E-03 -0.67292E-04 4675 0.646E-02 0.125E-01 RMM: 5 -0.333516271777E+03 0.10794E-03 -0.10560E-04 3644 0.294E-02 0.623E-02 RMM: 6 -0.333516254842E+03 0.16935E-04 -0.26087E-05 2583 0.154E-02 2244 T= 6999. E= 0.67475194E+03 F= 0.62275273E+03 E0= 0.65111367E+03 EK= 0.56993E+02 SP= -.51E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333413188930E+03 0.10308E+00 -0.13805E-01 7536 0.246E+01 0.199E-01 RMM: 2 -0.333431697051E+03 -0.18508E-01 -0.13160E-01 4871 0.865E-01 0.996E-01 RMM: 3 -0.333424780182E+03 0.69169E-02 -0.15621E-02 5696 0.247E-01 0.162E-01 RMM: 4 -0.333424486916E+03 0.29327E-03 -0.83770E-04 4926 0.619E-02 0.965E-02 RMM: 5 -0.333424411468E+03 0.75447E-04 -0.10604E-04 4017 0.279E-02 0.636E-02 RMM: 6 -0.333424397212E+03 0.14257E-04 -0.24916E-05 2558 0.149E-02 2245 T= 6959. E= 0.67475493E+03 F= 0.62284459E+03 E0= 0.65119102E+03 EK= 0.56669E+02 SP= -.49E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333303207876E+03 0.12120E+00 -0.12953E-01 7680 0.245E+01 0.325E-01 RMM: 2 -0.333337716912E+03 -0.34509E-01 -0.13119E-01 4914 0.894E-01 0.185E+00 RMM: 3 -0.333313814528E+03 0.23902E-01 -0.18030E-02 5416 0.309E-01 0.295E-01 RMM: 4 -0.333313156566E+03 0.65796E-03 -0.18053E-03 4978 0.882E-02 0.907E-02 RMM: 5 -0.333313138287E+03 0.18279E-04 -0.20873E-04 4198 0.312E-02 0.998E-02 RMM: 6 -0.333313074794E+03 0.63493E-04 -0.35163E-05 2853 0.182E-02 0.466E-02 RMM: 7 -0.333313077492E+03 -0.26981E-05 -0.23358E-05 2535 0.150E-02 2246 T= 6914. E= 0.67475781E+03 F= 0.62295591E+03 E0= 0.65128630E+03 EK= 0.56307E+02 SP= -.46E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333202343165E+03 0.11073E+00 -0.12912E-01 7632 0.243E+01 0.273E-01 RMM: 2 -0.333226623273E+03 -0.24280E-01 -0.13926E-01 4846 0.900E-01 0.134E+00 RMM: 3 -0.333214185287E+03 0.12438E-01 -0.17398E-02 5493 0.286E-01 0.302E-01 RMM: 4 -0.333213564525E+03 0.62076E-03 -0.16171E-03 4977 0.872E-02 0.114E-01 RMM: 5 -0.333213562335E+03 0.21899E-05 -0.23443E-04 3948 0.353E-02 0.128E-01 RMM: 6 -0.333213449999E+03 0.11234E-03 -0.59681E-05 3317 0.226E-02 0.328E-02 RMM: 7 -0.333213449230E+03 0.76908E-06 -0.19286E-05 2509 0.135E-02 2247 T= 6870. E= 0.67476075E+03 F= 0.62305554E+03 E0= 0.65136834E+03 EK= 0.55943E+02 SP= -.44E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333145999951E+03 0.67450E-01 -0.13100E-01 7696 0.242E+01 0.213E-01 RMM: 2 -0.333166685136E+03 -0.20685E-01 -0.14551E-01 4832 0.909E-01 0.105E+00 RMM: 3 -0.333158853971E+03 0.78312E-02 -0.17396E-02 5790 0.254E-01 0.182E-01 RMM: 4 -0.333158440876E+03 0.41309E-03 -0.94723E-04 4808 0.696E-02 0.106E-01 RMM: 5 -0.333158373451E+03 0.67425E-04 -0.13920E-04 3992 0.305E-02 0.794E-02 RMM: 6 -0.333158334151E+03 0.39300E-04 -0.32406E-05 2736 0.171E-02 0.412E-02 RMM: 7 -0.333158331967E+03 0.21842E-05 -0.22730E-05 2518 0.149E-02 2248 T= 6829. E= 0.67476358E+03 F= 0.62311066E+03 E0= 0.65140459E+03 EK= 0.55609E+02 SP= -.41E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333164770338E+03 -0.64362E-02 -0.13987E-01 7744 0.241E+01 0.202E-01 RMM: 2 -0.333184674449E+03 -0.19904E-01 -0.15368E-01 4808 0.934E-01 0.943E-01 RMM: 3 -0.333178261734E+03 0.64127E-02 -0.18125E-02 5905 0.251E-01 0.169E-01 RMM: 4 -0.333177822185E+03 0.43955E-03 -0.86067E-04 4850 0.675E-02 0.930E-02 RMM: 5 -0.333177764509E+03 0.57676E-04 -0.12329E-04 4033 0.295E-02 0.617E-02 RMM: 6 -0.333177746236E+03 0.18273E-04 -0.26132E-05 2557 0.152E-02 2249 T= 6795. E= 0.67476557E+03 F= 0.62309124E+03 E0= 0.65136422E+03 EK= 0.55338E+02 SP= -.38E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333278727364E+03 -0.10096E+00 -0.14043E-01 7608 0.241E+01 0.186E-01 RMM: 2 -0.333300068906E+03 -0.21342E-01 -0.16477E-01 4735 0.971E-01 0.947E-01 RMM: 3 -0.333293650722E+03 0.64182E-02 -0.19907E-02 5907 0.262E-01 0.171E-01 RMM: 4 -0.333293194656E+03 0.45607E-03 -0.85113E-04 4927 0.670E-02 0.883E-02 RMM: 5 -0.333293127069E+03 0.67587E-04 -0.11959E-04 4229 0.292E-02 0.635E-02 RMM: 6 -0.333293111771E+03 0.15298E-04 -0.26138E-05 2554 0.154E-02 2250 T= 6773. E= 0.67476696E+03 F= 0.62297588E+03 E0= 0.65122593E+03 EK= 0.55151E+02 SP= -.35E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333506708805E+03 -0.21358E+00 -0.12991E-01 7592 0.241E+01 0.285E-01 RMM: 2 -0.333535652598E+03 -0.28944E-01 -0.12770E-01 4825 0.883E-01 0.161E+00 RMM: 3 -0.333517320919E+03 0.18332E-01 -0.16879E-02 5432 0.296E-01 0.263E-01 RMM: 4 -0.333516795607E+03 0.52531E-03 -0.14984E-03 4897 0.793E-02 0.804E-02 RMM: 5 -0.333516779182E+03 0.16425E-04 -0.17163E-04 4084 0.313E-02 2251 T= 6762. E= 0.67476800E+03 F= 0.62275221E+03 E0= 0.65097811E+03 EK= 0.55063E+02 SP= -.32E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333840129900E+03 -0.32333E+00 -0.12780E-01 7760 0.241E+01 0.211E-01 RMM: 2 -0.333858768863E+03 -0.18639E-01 -0.12551E-01 4889 0.853E-01 0.103E+00 RMM: 3 -0.333851156435E+03 0.76124E-02 -0.14841E-02 5568 0.254E-01 0.230E-01 RMM: 4 -0.333850710100E+03 0.44634E-03 -0.98954E-04 4819 0.677E-02 0.851E-02 RMM: 5 -0.333850671513E+03 0.38587E-04 -0.12910E-04 4155 0.292E-02 0.751E-02 RMM: 6 -0.333850645175E+03 0.26338E-04 -0.25287E-05 2561 0.147E-02 0.572E-02 RMM: 7 -0.333850658878E+03 -0.13703E-04 -0.54450E-05 3279 0.202E-02 2252 T= 6763. E= 0.67476769E+03 F= 0.62241833E+03 E0= 0.65062059E+03 EK= 0.55073E+02 SP= -.29E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334274045915E+03 -0.42340E+00 -0.12031E-01 7672 0.242E+01 0.217E-01 RMM: 2 -0.334288806086E+03 -0.14760E-01 -0.11078E-01 4717 0.821E-01 0.876E-01 RMM: 3 -0.334283443684E+03 0.53624E-02 -0.13747E-02 5687 0.240E-01 0.171E-01 RMM: 4 -0.334283298089E+03 0.14560E-03 -0.88148E-04 4758 0.681E-02 0.162E-01 RMM: 5 -0.334283160637E+03 0.13745E-03 -0.16342E-04 3880 0.346E-02 0.908E-02 RMM: 6 -0.334283106697E+03 0.53940E-04 -0.48769E-05 3179 0.208E-02 0.236E-02 RMM: 7 -0.334283115446E+03 -0.87490E-05 -0.16109E-05 2512 0.132E-02 2253 T= 6775. E= 0.67476638E+03 F= 0.62198587E+03 E0= 0.65016469E+03 EK= 0.55169E+02 SP= -.26E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334783799361E+03 -0.50069E+00 -0.11898E-01 7904 0.243E+01 0.154E-01 RMM: 2 -0.334796953487E+03 -0.13154E-01 -0.11346E-01 4803 0.819E-01 0.652E-01 RMM: 3 -0.334793990066E+03 0.29634E-02 -0.13655E-02 5919 0.221E-01 0.135E-01 RMM: 4 -0.334793711386E+03 0.27868E-03 -0.54800E-04 4700 0.566E-02 0.100E-01 RMM: 5 -0.334793633416E+03 0.77970E-04 -0.91552E-05 3600 0.288E-02 0.578E-02 RMM: 6 -0.334793617116E+03 0.16301E-04 -0.26668E-05 2551 0.150E-02 2254 T= 6795. E= 0.67476486E+03 F= 0.62147537E+03 E0= 0.64963377E+03 EK= 0.55332E+02 SP= -.23E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335345745036E+03 -0.55211E+00 -0.12228E-01 7528 0.244E+01 0.189E-01 RMM: 2 -0.335363851718E+03 -0.18107E-01 -0.12035E-01 4725 0.848E-01 0.101E+00 RMM: 3 -0.335356446363E+03 0.74054E-02 -0.15072E-02 5652 0.245E-01 0.171E-01 RMM: 4 -0.335356115338E+03 0.33103E-03 -0.78619E-04 4898 0.615E-02 0.762E-02 RMM: 5 -0.335356080702E+03 0.34636E-04 -0.10515E-04 3984 0.291E-02 0.679E-02 RMM: 6 -0.335356061800E+03 0.18902E-04 -0.24920E-05 2547 0.147E-02 2255 T= 6819. E= 0.67476311E+03 F= 0.62091293E+03 E0= 0.64905634E+03 EK= 0.55533E+02 SP= -.19E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335933613946E+03 -0.57753E+00 -0.11960E-01 7384 0.245E+01 0.333E-01 RMM: 2 -0.335964499822E+03 -0.30886E-01 -0.11831E-01 4781 0.866E-01 0.176E+00 RMM: 3 -0.335943152343E+03 0.21347E-01 -0.17798E-02 5382 0.316E-01 0.320E-01 RMM: 4 -0.335942430170E+03 0.72217E-03 -0.19082E-03 5095 0.908E-02 0.100E-01 RMM: 5 -0.335942412693E+03 0.17477E-04 -0.22720E-04 3931 0.340E-02 0.108E-01 RMM: 6 -0.335942336012E+03 0.76681E-04 -0.49173E-05 3190 0.208E-02 0.409E-02 RMM: 7 -0.335942336157E+03 -0.14466E-06 -0.17785E-05 2516 0.125E-02 2256 T= 6845. E= 0.67476134E+03 F= 0.62032665E+03 E0= 0.64846058E+03 EK= 0.55745E+02 SP= -.16E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336515976529E+03 -0.57364E+00 -0.12493E-01 7520 0.246E+01 0.274E-01 RMM: 2 -0.336543098453E+03 -0.27122E-01 -0.14460E-01 4721 0.922E-01 0.144E+00 RMM: 3 -0.336528447097E+03 0.14651E-01 -0.18655E-02 5442 0.297E-01 0.278E-01 RMM: 4 -0.336527872785E+03 0.57431E-03 -0.16350E-03 5090 0.838E-02 0.963E-02 RMM: 5 -0.336527868022E+03 0.47629E-05 -0.21223E-04 3981 0.335E-02 0.108E-01 RMM: 6 -0.336527788439E+03 0.79583E-04 -0.52385E-05 3222 0.210E-02 0.354E-02 RMM: 7 -0.336527789426E+03 -0.98776E-06 -0.18605E-05 2527 0.128E-02 2257 T= 6869. E= 0.67475978E+03 F= 0.61974120E+03 E0= 0.64787169E+03 EK= 0.55940E+02 SP= -.12E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337081181220E+03 -0.55339E+00 -0.12498E-01 7616 0.247E+01 0.214E-01 RMM: 2 -0.337098861253E+03 -0.17680E-01 -0.12280E-01 4822 0.854E-01 0.100E+00 RMM: 3 -0.337091877257E+03 0.69840E-02 -0.14680E-02 5595 0.242E-01 0.199E-01 RMM: 4 -0.337091496703E+03 0.38055E-03 -0.91628E-04 4890 0.662E-02 0.882E-02 RMM: 5 -0.337091461532E+03 0.35172E-04 -0.13511E-04 3888 0.313E-02 0.759E-02 RMM: 6 -0.337091422664E+03 0.38868E-04 -0.33023E-05 2861 0.172E-02 0.338E-02 RMM: 7 -0.337091423058E+03 -0.39384E-06 -0.19798E-05 2503 0.142E-02 2258 T= 6889. E= 0.67475889E+03 F= 0.61917757E+03 E0= 0.64730980E+03 EK= 0.56098E+02 SP= -.82E+00 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337609582135E+03 -0.51816E+00 -0.12024E-01 7784 0.247E+01 0.172E-01 RMM: 2 -0.337623276035E+03 -0.13694E-01 -0.11374E-01 4804 0.832E-01 0.733E-01 RMM: 3 -0.337619644623E+03 0.36314E-02 -0.13368E-02 5823 0.217E-01 0.140E-01 RMM: 4 -0.337619401335E+03 0.24329E-03 -0.67732E-04 4788 0.622E-02 0.108E-01 RMM: 5 -0.337619319694E+03 0.81641E-04 -0.10245E-04 3697 0.290E-02 0.626E-02 RMM: 6 -0.337619298784E+03 0.20911E-04 -0.27052E-05 2576 0.156E-02 0.384E-02 RMM: 7 -0.337619293158E+03 0.56263E-05 -0.18298E-05 2492 0.136E-02 2259 T= 6902. E= 0.67475833E+03 F= 0.61864970E+03 E0= 0.64678664E+03 EK= 0.56203E+02 SP= -.42E+00 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338097510558E+03 -0.47821E+00 -0.11893E-01 7712 0.247E+01 0.161E-01 RMM: 2 -0.338109287903E+03 -0.11777E-01 -0.10079E-01 4965 0.769E-01 0.652E-01 RMM: 3 -0.338106261250E+03 0.30267E-02 -0.10779E-02 5819 0.191E-01 0.139E-01 RMM: 4 -0.338106038478E+03 0.22277E-03 -0.56479E-04 4596 0.574E-02 0.960E-02 RMM: 5 -0.338105973433E+03 0.65045E-04 -0.82667E-05 3572 0.257E-02 0.604E-02 RMM: 6 -0.338105954190E+03 0.19243E-04 -0.23026E-05 2550 0.146E-02 2260 T= 6908. E= 0.67475874E+03 F= 0.61816304E+03 E0= 0.64630661E+03 EK= 0.56252E+02 SP= -.12E-01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338544505073E+03 -0.43853E+00 -0.11557E-01 7464 0.247E+01 0.176E-01 RMM: 2 -0.338556398998E+03 -0.11894E-01 -0.83315E-02 5010 0.708E-01 0.837E-01 RMM: 3 -0.338551574191E+03 0.48248E-02 -0.91403E-03 5541 0.195E-01 0.139E-01 RMM: 4 -0.338551416116E+03 0.15808E-03 -0.55058E-04 4756 0.509E-02 0.895E-02 RMM: 5 -0.338551352616E+03 0.63500E-04 -0.72819E-05 3594 0.244E-02 0.552E-02 RMM: 6 -0.338551340922E+03 0.11694E-04 -0.21359E-05 2535 0.135E-02 2261 T= 6907. E= 0.67475948E+03 F= 0.61771765E+03 E0= 0.64586700E+03 EK= 0.56243E+02 SP= 0.42E+00 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338949992316E+03 -0.39864E+00 -0.11563E-01 7440 0.247E+01 0.260E-01 RMM: 2 -0.338969938482E+03 -0.19946E-01 -0.71133E-02 5119 0.681E-01 0.146E+00 RMM: 3 -0.338955366169E+03 0.14572E-01 -0.97164E-03 5342 0.235E-01 0.199E-01 RMM: 4 -0.338955096331E+03 0.26984E-03 -0.97885E-04 4651 0.655E-02 0.873E-02 RMM: 5 -0.338955070857E+03 0.25473E-04 -0.11549E-04 3870 0.282E-02 0.844E-02 RMM: 6 -0.338955024381E+03 0.46476E-04 -0.28109E-05 2737 0.165E-02 0.372E-02 RMM: 7 -0.338955026206E+03 -0.18248E-05 -0.16503E-05 2501 0.129E-02 2262 T= 6898. E= 0.67475973E+03 F= 0.61731396E+03 E0= 0.64546800E+03 EK= 0.56175E+02 SP= 0.86E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339306911625E+03 -0.35189E+00 -0.11568E-01 7472 0.246E+01 0.208E-01 RMM: 2 -0.339319751967E+03 -0.12840E-01 -0.78009E-02 4969 0.702E-01 0.984E-01 RMM: 3 -0.339313181748E+03 0.65702E-02 -0.92871E-03 5368 0.216E-01 0.201E-01 RMM: 4 -0.339312962390E+03 0.21936E-03 -0.83377E-04 4659 0.630E-02 0.103E-01 RMM: 5 -0.339312910426E+03 0.51963E-04 -0.12470E-04 3844 0.298E-02 0.825E-02 RMM: 6 -0.339312865439E+03 0.44988E-04 -0.28688E-05 2763 0.165E-02 0.308E-02 RMM: 7 -0.339312864140E+03 0.12984E-05 -0.14605E-05 2481 0.122E-02 2263 T= 6882. E= 0.67475947E+03 F= 0.61695613E+03 E0= 0.64511338E+03 EK= 0.56046E+02 SP= 0.13E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339607920094E+03 -0.29505E+00 -0.11161E-01 7448 0.246E+01 0.162E-01 RMM: 2 -0.339617572389E+03 -0.96523E-02 -0.67834E-02 5047 0.651E-01 0.773E-01 RMM: 3 -0.339613601873E+03 0.39705E-02 -0.72013E-03 5535 0.173E-01 0.130E-01 RMM: 4 -0.339613470738E+03 0.13113E-03 -0.43908E-04 4555 0.479E-02 0.863E-02 RMM: 5 -0.339613420615E+03 0.50123E-04 -0.65254E-05 3407 0.232E-02 0.599E-02 RMM: 6 -0.339613400997E+03 0.19617E-04 -0.22512E-05 2539 0.145E-02 2264 T= 6858. E= 0.67475870E+03 F= 0.61665559E+03 E0= 0.64481532E+03 EK= 0.55845E+02 SP= 0.18E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339830529455E+03 -0.21711E+00 -0.11384E-01 7256 0.245E+01 0.150E-01 RMM: 2 -0.339839250026E+03 -0.87206E-02 -0.59905E-02 5109 0.603E-01 0.740E-01 RMM: 3 -0.339835525342E+03 0.37247E-02 -0.59425E-03 5424 0.163E-01 0.137E-01 RMM: 4 -0.339835390194E+03 0.13515E-03 -0.39229E-04 4425 0.433E-02 0.712E-02 RMM: 5 -0.339835352657E+03 0.37538E-04 -0.44545E-05 2963 0.204E-02 0.544E-02 RMM: 6 -0.339835341510E+03 0.11147E-04 -0.20257E-05 2509 0.138E-02 2265 T= 6822. E= 0.67475726E+03 F= 0.61643365E+03 E0= 0.64459689E+03 EK= 0.55553E+02 SP= 0.23E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339942884673E+03 -0.10753E+00 -0.11232E-01 7112 0.244E+01 0.291E-01 RMM: 2 -0.339964165572E+03 -0.21281E-01 -0.72405E-02 5010 0.697E-01 0.152E+00 RMM: 3 -0.339948228495E+03 0.15937E-01 -0.11261E-02 5330 0.260E-01 0.281E-01 RMM: 4 -0.339947665434E+03 0.56306E-03 -0.11766E-03 4674 0.720E-02 0.690E-02 RMM: 5 -0.339947659214E+03 0.62203E-05 -0.13062E-04 3880 0.287E-02 2266 T= 6771. E= 0.67475644E+03 F= 0.61632133E+03 E0= 0.64449153E+03 EK= 0.55141E+02 SP= 0.28E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339909979129E+03 0.37686E-01 -0.11214E-01 7464 0.242E+01 0.186E-01 RMM: 2 -0.339922967023E+03 -0.12988E-01 -0.68187E-02 5033 0.638E-01 0.101E+00 RMM: 3 -0.339915875814E+03 0.70912E-02 -0.80591E-03 5353 0.202E-01 0.212E-01 RMM: 4 -0.339915590922E+03 0.28489E-03 -0.73527E-04 4626 0.576E-02 0.869E-02 RMM: 5 -0.339915546731E+03 0.44191E-04 -0.86231E-05 3649 0.254E-02 0.666E-02 RMM: 6 -0.339915522376E+03 0.24355E-04 -0.21765E-05 2539 0.142E-02 0.451E-02 RMM: 7 -0.339915523707E+03 -0.13312E-05 -0.23763E-05 2557 0.146E-02 2267 T= 6702. E= 0.67475566E+03 F= 0.61635347E+03 E0= 0.64453660E+03 EK= 0.54580E+02 SP= 0.33E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339702575066E+03 0.21295E+00 -0.11235E-01 7288 0.241E+01 0.215E-01 RMM: 2 -0.339713564289E+03 -0.10989E-01 -0.73250E-02 4769 0.691E-01 0.888E-01 RMM: 3 -0.339708339406E+03 0.52249E-02 -0.92601E-03 5445 0.209E-01 0.154E-01 RMM: 4 -0.339708280717E+03 0.58689E-04 -0.73540E-04 4662 0.604E-02 0.146E-01 RMM: 5 -0.339708194224E+03 0.86493E-04 -0.12877E-04 3770 0.303E-02 0.937E-02 RMM: 6 -0.339708136161E+03 0.58063E-04 -0.38523E-05 3029 0.192E-02 0.198E-02 RMM: 7 -0.339708138791E+03 -0.26293E-05 -0.11186E-05 2479 0.107E-02 2268 T= 6612. E= 0.67475469E+03 F= 0.61656085E+03 E0= 0.64476351E+03 EK= 0.53841E+02 SP= 0.38E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339295831341E+03 0.41230E+00 -0.11130E-01 7672 0.238E+01 0.151E-01 RMM: 2 -0.339305854848E+03 -0.10024E-01 -0.79223E-02 4848 0.696E-01 0.678E-01 RMM: 3 -0.339302756987E+03 0.30979E-02 -0.92662E-03 5723 0.187E-01 0.128E-01 RMM: 4 -0.339302595272E+03 0.16172E-03 -0.46060E-04 4620 0.517E-02 0.101E-01 RMM: 5 -0.339302513465E+03 0.81807E-04 -0.72511E-05 3437 0.258E-02 0.475E-02 RMM: 6 -0.339302503148E+03 0.10318E-04 -0.21623E-05 2522 0.132E-02 2269 T= 6497. E= 0.67475536E+03 F= 0.61696649E+03 E0= 0.64519551E+03 EK= 0.52909E+02 SP= 0.43E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338685369140E+03 0.61714E+00 -0.11153E-01 7480 0.235E+01 0.171E-01 RMM: 2 -0.338698596708E+03 -0.13228E-01 -0.91096E-02 4777 0.731E-01 0.864E-01 RMM: 3 -0.338693315377E+03 0.52813E-02 -0.10963E-02 5580 0.208E-01 0.182E-01 RMM: 4 -0.338693006339E+03 0.30904E-03 -0.65676E-04 4739 0.570E-02 0.658E-02 RMM: 5 -0.338692987405E+03 0.18934E-04 -0.87095E-05 3675 0.255E-02 2270 T= 6359. E= 0.67475831E+03 F= 0.61757600E+03 E0= 0.64583862E+03 EK= 0.51786E+02 SP= 0.49E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337890647758E+03 0.80236E+00 -0.10639E-01 7600 0.231E+01 0.185E-01 RMM: 2 -0.337902585269E+03 -0.11938E-01 -0.71193E-02 4952 0.659E-01 0.925E-01 RMM: 3 -0.337896715810E+03 0.58695E-02 -0.82413E-03 5439 0.193E-01 0.203E-01 RMM: 4 -0.337896422246E+03 0.29356E-03 -0.67570E-04 4622 0.586E-02 0.819E-02 RMM: 5 -0.337896384224E+03 0.38022E-04 -0.82539E-05 3750 0.230E-02 0.699E-02 RMM: 6 -0.337896364057E+03 0.20168E-04 -0.22357E-05 2543 0.145E-02 0.506E-02 RMM: 7 -0.337896378601E+03 -0.14544E-04 -0.64365E-05 3563 0.216E-02 2271 T= 6201. E= 0.67476220E+03 F= 0.61837261E+03 E0= 0.64667415E+03 EK= 0.50494E+02 SP= 0.54E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336940325450E+03 0.95604E+00 -0.11360E-01 7536 0.227E+01 0.235E-01 RMM: 2 -0.336955508698E+03 -0.15183E-01 -0.10630E-01 4663 0.808E-01 0.961E-01 RMM: 3 -0.336949097369E+03 0.64113E-02 -0.12823E-02 5659 0.226E-01 0.211E-01 RMM: 4 -0.336948824623E+03 0.27275E-03 -0.10700E-03 4783 0.771E-02 0.158E-01 RMM: 5 -0.336948736895E+03 0.87728E-04 -0.20138E-04 3870 0.364E-02 0.109E-01 RMM: 6 -0.336948660777E+03 0.76119E-04 -0.63646E-05 3364 0.238E-02 0.301E-02 RMM: 7 -0.336948669590E+03 -0.88132E-05 -0.18881E-05 2521 0.134E-02 2272 T= 6027. E= 0.67476759E+03 F= 0.61932032E+03 E0= 0.64766426E+03 EK= 0.49077E+02 SP= 0.59E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335900171624E+03 0.10485E+01 -0.10191E-01 7456 0.223E+01 0.156E-01 RMM: 2 -0.335910107143E+03 -0.99355E-02 -0.68748E-02 4991 0.635E-01 0.771E-01 RMM: 3 -0.335905978915E+03 0.41282E-02 -0.74738E-03 5540 0.176E-01 0.146E-01 RMM: 4 -0.335905806328E+03 0.17259E-03 -0.46381E-04 4540 0.476E-02 0.704E-02 RMM: 5 -0.335905761727E+03 0.44602E-04 -0.58176E-05 3310 0.215E-02 0.590E-02 RMM: 6 -0.335905744385E+03 0.17342E-04 -0.21166E-05 2515 0.140E-02 2273 T= 5845. E= 0.67477398E+03 F= 0.62036324E+03 E0= 0.64875068E+03 EK= 0.47595E+02 SP= 0.64E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334832188086E+03 0.10736E+01 -0.96452E-02 7536 0.219E+01 0.194E-01 RMM: 2 -0.334844013182E+03 -0.11825E-01 -0.64547E-02 4879 0.625E-01 0.982E-01 RMM: 3 -0.334837423443E+03 0.65897E-02 -0.82306E-03 5381 0.202E-01 0.181E-01 RMM: 4 -0.334837201850E+03 0.22159E-03 -0.67993E-04 4829 0.519E-02 0.698E-02 RMM: 5 -0.334837180269E+03 0.21581E-04 -0.78091E-05 3588 0.255E-02 0.702E-02 RMM: 6 -0.334837153387E+03 0.26882E-04 -0.28279E-05 2578 0.160E-02 0.487E-02 RMM: 7 -0.334837178958E+03 -0.25571E-04 -0.38898E-05 2986 0.179E-02 0.827E-02 RMM: 8 -0.334837133520E+03 0.45438E-04 -0.46330E-05 2932 0.181E-02 0.247E-02 RMM: 9 -0.334837133362E+03 0.15797E-06 -0.13402E-05 2468 0.108E-02 2274 T= 5664. E= 0.67477966E+03 F= 0.62143186E+03 E0= 0.64986091E+03 EK= 0.46123E+02 SP= 0.68E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333812166007E+03 0.10250E+01 -0.92574E-02 7384 0.215E+01 0.220E-01 RMM: 2 -0.333823713433E+03 -0.11547E-01 -0.60807E-02 4955 0.602E-01 0.101E+00 RMM: 3 -0.333816619450E+03 0.70940E-02 -0.72363E-03 5388 0.189E-01 0.173E-01 RMM: 4 -0.333816627631E+03 -0.81812E-05 -0.90821E-04 4646 0.695E-02 0.190E-01 RMM: 5 -0.333816492729E+03 0.13490E-03 -0.18974E-04 3860 0.364E-02 0.132E-01 RMM: 6 -0.333816371261E+03 0.12147E-03 -0.65317E-05 3408 0.247E-02 0.244E-02 RMM: 7 -0.333816376618E+03 -0.53564E-05 -0.17524E-05 2520 0.127E-02 2275 T= 5494. E= 0.67478498E+03 F= 0.62245261E+03 E0= 0.65091968E+03 EK= 0.44738E+02 SP= 0.73E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332909059517E+03 0.90731E+00 -0.88612E-02 7248 0.212E+01 0.150E-01 RMM: 2 -0.332918023650E+03 -0.89641E-02 -0.62410E-02 5041 0.602E-01 0.735E-01 RMM: 3 -0.332914314705E+03 0.37089E-02 -0.68353E-03 5603 0.164E-01 0.152E-01 RMM: 4 -0.332914106230E+03 0.20847E-03 -0.42402E-04 4398 0.454E-02 0.543E-02 RMM: 5 -0.332914087213E+03 0.19017E-04 -0.51827E-05 3135 0.209E-02 2276 T= 5344. E= 0.67479069E+03 F= 0.62335490E+03 E0= 0.65185519E+03 EK= 0.43515E+02 SP= 0.76E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332190564815E+03 0.72354E+00 -0.85632E-02 7376 0.210E+01 0.109E-01 RMM: 2 -0.332197190381E+03 -0.66256E-02 -0.56897E-02 4975 0.567E-01 0.485E-01 RMM: 3 -0.332195545745E+03 0.16446E-02 -0.61179E-03 5817 0.145E-01 0.109E-01 RMM: 4 -0.332195411033E+03 0.13471E-03 -0.25672E-04 4329 0.374E-02 0.693E-02 RMM: 5 -0.332195380695E+03 0.30338E-04 -0.34139E-05 2704 0.183E-02 0.600E-02 RMM: 6 -0.332195378906E+03 0.17885E-05 -0.30054E-05 2777 0.162E-02 2277 T= 5221. E= 0.67479523E+03 F= 0.62407361E+03 E0= 0.65260153E+03 EK= 0.42518E+02 SP= 0.80E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331708788878E+03 0.48659E+00 -0.91318E-02 7584 0.209E+01 0.300E-01 RMM: 2 -0.331734226214E+03 -0.25437E-01 -0.84451E-02 4803 0.709E-01 0.166E+00 RMM: 3 -0.331715065930E+03 0.19160E-01 -0.13275E-02 5351 0.274E-01 0.243E-01 RMM: 4 -0.331714680349E+03 0.38558E-03 -0.14125E-03 4849 0.710E-02 0.885E-02 RMM: 5 -0.331714704197E+03 -0.23848E-04 -0.18767E-04 3901 0.353E-02 0.115E-01 RMM: 6 -0.331714616833E+03 0.87364E-04 -0.51510E-05 3234 0.212E-02 0.335E-02 RMM: 7 -0.331714613082E+03 0.37507E-05 -0.14733E-05 2505 0.122E-02 2278 T= 5133. E= 0.67479842E+03 F= 0.62455438E+03 E0= 0.65310405E+03 EK= 0.41803E+02 SP= 0.83E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331508877611E+03 0.20574E+00 -0.88430E-02 7560 0.209E+01 0.313E-01 RMM: 2 -0.331535820286E+03 -0.26943E-01 -0.71089E-02 4972 0.670E-01 0.177E+00 RMM: 3 -0.331514006428E+03 0.21814E-01 -0.12566E-02 5342 0.277E-01 0.294E-01 RMM: 4 -0.331513381379E+03 0.62505E-03 -0.13790E-03 4734 0.748E-02 0.821E-02 RMM: 5 -0.331513383878E+03 -0.24991E-05 -0.16911E-04 3876 0.333E-02 2279 T= 5085. E= 0.67480164E+03 F= 0.62475561E+03 E0= 0.65332197E+03 EK= 0.41412E+02 SP= 0.85E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331610316871E+03 -0.96935E-01 -0.92683E-02 7664 0.209E+01 0.173E-01 RMM: 2 -0.331624146364E+03 -0.13829E-01 -0.75240E-02 4928 0.646E-01 0.103E+00 RMM: 3 -0.331616665867E+03 0.74805E-02 -0.90141E-03 5495 0.195E-01 0.165E-01 RMM: 4 -0.331616435496E+03 0.23037E-03 -0.68471E-04 5013 0.504E-02 0.673E-02 RMM: 5 -0.331616400510E+03 0.34986E-04 -0.80679E-05 3589 0.256E-02 0.610E-02 RMM: 6 -0.331616384307E+03 0.16203E-04 -0.32277E-05 2797 0.167E-02 2280 T= 5080. E= 0.67480366E+03 F= 0.62465260E+03 E0= 0.65323195E+03 EK= 0.41366E+02 SP= 0.87E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332026193168E+03 -0.40979E+00 -0.90496E-02 7488 0.211E+01 0.264E-01 RMM: 2 -0.332050524484E+03 -0.24331E-01 -0.65556E-02 4803 0.617E-01 0.166E+00 RMM: 3 -0.332031155030E+03 0.19369E-01 -0.10974E-02 5343 0.253E-01 0.223E-01 RMM: 4 -0.332030842058E+03 0.31297E-03 -0.12284E-03 4685 0.700E-02 0.980E-02 RMM: 5 -0.332030838490E+03 0.35681E-05 -0.14982E-04 3869 0.309E-02 2281 T= 5117. E= 0.67480326E+03 F= 0.62423815E+03 E0= 0.65282627E+03 EK= 0.41673E+02 SP= 0.89E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332735931925E+03 -0.70509E+00 -0.91290E-02 7776 0.214E+01 0.314E-01 RMM: 2 -0.332767771713E+03 -0.31840E-01 -0.63273E-02 5123 0.628E-01 0.199E+00 RMM: 3 -0.332740314220E+03 0.27457E-01 -0.12136E-02 5339 0.278E-01 0.281E-01 RMM: 4 -0.332739750326E+03 0.56389E-03 -0.13591E-03 4681 0.732E-02 0.783E-02 RMM: 5 -0.332739738405E+03 0.11921E-04 -0.14858E-04 3869 0.308E-02 2282 T= 5196. E= 0.67480181E+03 F= 0.62352925E+03 E0= 0.65212237E+03 EK= 0.42313E+02 SP= 0.90E+01 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333694520729E+03 -0.95477E+00 -0.98072E-02 7632 0.217E+01 0.171E-01 RMM: 2 -0.333706878254E+03 -0.12358E-01 -0.63929E-02 4837 0.611E-01 0.101E+00 RMM: 3 -0.333699876844E+03 0.70014E-02 -0.78244E-03 5431 0.191E-01 0.177E-01 RMM: 4 -0.333699651066E+03 0.22578E-03 -0.64459E-04 4906 0.498E-02 0.580E-02 RMM: 5 -0.333699625756E+03 0.25310E-04 -0.75470E-05 3546 0.248E-02 0.556E-02 RMM: 6 -0.333699612479E+03 0.13277E-04 -0.25425E-05 2583 0.148E-02 2283 T= 5310. E= 0.67479796E+03 F= 0.62256938E+03 E0= 0.65116719E+03 EK= 0.43241E+02 SP= 0.90E+01 SK= 0.29E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334837753606E+03 -0.11381E+01 -0.97421E-02 7600 0.221E+01 0.224E-01 RMM: 2 -0.334853484213E+03 -0.15731E-01 -0.55582E-02 4958 0.574E-01 0.129E+00 RMM: 3 -0.334841994607E+03 0.11490E-01 -0.83754E-03 5365 0.214E-01 0.200E-01 RMM: 4 -0.334841773630E+03 0.22098E-03 -0.91698E-04 4648 0.631E-02 0.103E-01 RMM: 5 -0.334841748767E+03 0.24864E-04 -0.13248E-04 3846 0.297E-02 0.950E-02 RMM: 6 -0.334841689046E+03 0.59721E-04 -0.34734E-05 2960 0.182E-02 0.273E-02 RMM: 7 -0.334841688880E+03 0.16556E-06 -0.13207E-05 2490 0.115E-02 2284 T= 5451. E= 0.67479172E+03 F= 0.62142730E+03 E0= 0.65002861E+03 EK= 0.44386E+02 SP= 0.90E+01 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336071030014E+03 -0.12293E+01 -0.10097E-01 7664 0.225E+01 0.280E-01 RMM: 2 -0.336092847405E+03 -0.21817E-01 -0.65168E-02 5023 0.644E-01 0.159E+00 RMM: 3 -0.336075831926E+03 0.17015E-01 -0.10275E-02 5356 0.244E-01 0.257E-01 RMM: 4 -0.336075348973E+03 0.48295E-03 -0.11898E-03 4641 0.710E-02 0.893E-02 RMM: 5 -0.336075335089E+03 0.13884E-04 -0.15518E-04 3878 0.315E-02 2285 T= 5607. E= 0.67478561E+03 F= 0.62019365E+03 E0= 0.64879851E+03 EK= 0.45658E+02 SP= 0.89E+01 SK= 0.93E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337291485944E+03 -0.12161E+01 -0.10287E-01 7688 0.228E+01 0.112E-01 RMM: 2 -0.337298021782E+03 -0.65358E-02 -0.52094E-02 5108 0.536E-01 0.553E-01 RMM: 3 -0.337295899231E+03 0.21226E-02 -0.53106E-03 5740 0.138E-01 0.110E-01 RMM: 4 -0.337295773699E+03 0.12553E-03 -0.26164E-04 4202 0.364E-02 0.711E-02 RMM: 5 -0.337295733383E+03 0.40316E-04 -0.36785E-05 2771 0.192E-02 0.487E-02 RMM: 6 -0.337295728936E+03 0.44469E-05 -0.23419E-05 2526 0.141E-02 2286 T= 5765. E= 0.67477950E+03 F= 0.61897326E+03 E0= 0.64758462E+03 EK= 0.46947E+02 SP= 0.88E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338390036941E+03 -0.10943E+01 -0.10940E-01 7632 0.231E+01 0.233E-01 RMM: 2 -0.338406644410E+03 -0.16607E-01 -0.70570E-02 4814 0.657E-01 0.129E+00 RMM: 3 -0.338395500116E+03 0.11144E-01 -0.94686E-03 5405 0.220E-01 0.198E-01 RMM: 4 -0.338395272295E+03 0.22782E-03 -0.96438E-04 4666 0.641E-02 0.110E-01 RMM: 5 -0.338395222946E+03 0.49349E-04 -0.14330E-04 3849 0.308E-02 0.827E-02 RMM: 6 -0.338395178548E+03 0.44398E-04 -0.32865E-05 2907 0.176E-02 0.289E-02 RMM: 7 -0.338395178599E+03 -0.51470E-07 -0.13134E-05 2481 0.116E-02 2287 T= 5912. E= 0.67477284E+03 F= 0.61787381E+03 E0= 0.64649398E+03 EK= 0.48141E+02 SP= 0.87E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339269750006E+03 -0.87457E+00 -0.11349E-01 7632 0.233E+01 0.237E-01 RMM: 2 -0.339285977092E+03 -0.16227E-01 -0.68079E-02 5016 0.651E-01 0.128E+00 RMM: 3 -0.339275028174E+03 0.10949E-01 -0.90929E-03 5397 0.220E-01 0.244E-01 RMM: 4 -0.339274621385E+03 0.40679E-03 -0.10101E-03 4639 0.684E-02 0.915E-02 RMM: 5 -0.339274587997E+03 0.33387E-04 -0.14133E-04 3849 0.310E-02 0.872E-02 RMM: 6 -0.339274536096E+03 0.51902E-04 -0.31489E-05 2786 0.175E-02 0.325E-02 RMM: 7 -0.339274533380E+03 0.27160E-05 -0.14887E-05 2483 0.119E-02 2288 T= 6034. E= 0.67476775E+03 F= 0.61699446E+03 E0= 0.64562420E+03 EK= 0.49141E+02 SP= 0.86E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339849509123E+03 -0.57497E+00 -0.11215E-01 7808 0.234E+01 0.145E-01 RMM: 2 -0.339858033876E+03 -0.85248E-02 -0.58327E-02 4942 0.582E-01 0.739E-01 RMM: 3 -0.339854330873E+03 0.37030E-02 -0.66056E-03 5616 0.164E-01 0.136E-01 RMM: 4 -0.339854169412E+03 0.16146E-03 -0.41778E-04 4489 0.445E-02 0.680E-02 RMM: 5 -0.339854140771E+03 0.28641E-04 -0.56568E-05 3286 0.221E-02 0.525E-02 RMM: 6 -0.339854126464E+03 0.14307E-04 -0.19855E-05 2521 0.135E-02 2289 T= 6123. E= 0.67476491E+03 F= 0.61641486E+03 E0= 0.64505510E+03 EK= 0.49861E+02 SP= 0.84E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340077634949E+03 -0.22349E+00 -0.10900E-01 7672 0.235E+01 0.196E-01 RMM: 2 -0.340090585565E+03 -0.12951E-01 -0.65089E-02 4927 0.621E-01 0.106E+00 RMM: 3 -0.340082846846E+03 0.77387E-02 -0.81691E-03 5462 0.196E-01 0.168E-01 RMM: 4 -0.340082640887E+03 0.20596E-03 -0.69008E-04 4707 0.544E-02 0.757E-02 RMM: 5 -0.340082606510E+03 0.34377E-04 -0.84406E-05 3689 0.245E-02 0.625E-02 RMM: 6 -0.340082584401E+03 0.22109E-04 -0.20968E-05 2539 0.137E-02 0.402E-02 RMM: 7 -0.340082584450E+03 -0.48860E-07 -0.16728E-05 2493 0.128E-02 2290 T= 6170. E= 0.67476393E+03 F= 0.61618640E+03 E0= 0.64483576E+03 EK= 0.50248E+02 SP= 0.83E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339936228390E+03 0.14636E+00 -0.10813E-01 7680 0.234E+01 0.191E-01 RMM: 2 -0.339946789676E+03 -0.10561E-01 -0.58802E-02 4967 0.593E-01 0.934E-01 RMM: 3 -0.339940838719E+03 0.59510E-02 -0.72275E-03 5444 0.186E-01 0.190E-01 RMM: 4 -0.339940610615E+03 0.22810E-03 -0.68305E-04 4643 0.560E-02 0.839E-02 RMM: 5 -0.339940602185E+03 0.84304E-05 -0.10232E-04 3721 0.265E-02 2291 T= 6174. E= 0.67476559E+03 F= 0.61632839E+03 E0= 0.64498381E+03 EK= 0.50279E+02 SP= 0.81E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339437293996E+03 0.50332E+00 -0.10868E-01 7744 0.233E+01 0.134E-01 RMM: 2 -0.339445519724E+03 -0.82257E-02 -0.59380E-02 5048 0.576E-01 0.682E-01 RMM: 3 -0.339442260157E+03 0.32596E-02 -0.63291E-03 5729 0.157E-01 0.136E-01 RMM: 4 -0.339442084667E+03 0.17549E-03 -0.35293E-04 4438 0.408E-02 0.661E-02 RMM: 5 -0.339442050992E+03 0.33674E-04 -0.44995E-05 2955 0.202E-02 0.542E-02 RMM: 6 -0.339442038291E+03 0.12701E-04 -0.21802E-05 2513 0.142E-02 2292 T= 6136. E= 0.67476996E+03 F= 0.61682695E+03 E0= 0.64548338E+03 EK= 0.49968E+02 SP= 0.79E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338626458181E+03 0.81559E+00 -0.11399E-01 7696 0.231E+01 0.229E-01 RMM: 2 -0.338645670022E+03 -0.19212E-01 -0.80314E-02 4769 0.690E-01 0.136E+00 RMM: 3 -0.338632843398E+03 0.12827E-01 -0.10823E-02 5412 0.234E-01 0.193E-01 RMM: 4 -0.338632566054E+03 0.27734E-03 -0.10034E-03 4990 0.605E-02 0.600E-02 RMM: 5 -0.338632556469E+03 0.95852E-05 -0.10281E-04 3779 0.269E-02 2293 T= 6061. E= 0.67477598E+03 F= 0.61763643E+03 E0= 0.64628818E+03 EK= 0.49358E+02 SP= 0.77E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337576143740E+03 0.10564E+01 -0.10549E-01 7784 0.229E+01 0.219E-01 RMM: 2 -0.337594149978E+03 -0.18006E-01 -0.67699E-02 4946 0.629E-01 0.136E+00 RMM: 3 -0.337581499973E+03 0.12650E-01 -0.91235E-03 5401 0.219E-01 0.181E-01 RMM: 4 -0.337581283466E+03 0.21651E-03 -0.88771E-04 4702 0.604E-02 0.871E-02 RMM: 5 -0.337581250711E+03 0.32755E-04 -0.10110E-04 3805 0.261E-02 0.754E-02 RMM: 6 -0.337581215082E+03 0.35629E-04 -0.24699E-05 2576 0.150E-02 0.393E-02 RMM: 7 -0.337581216895E+03 -0.18133E-05 -0.16935E-05 2511 0.129E-02 2294 T= 5958. E= 0.67478321E+03 F= 0.61868777E+03 E0= 0.64732787E+03 EK= 0.48521E+02 SP= 0.75E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336369443733E+03 0.12118E+01 -0.10196E-01 7808 0.226E+01 0.178E-01 RMM: 2 -0.336380125579E+03 -0.10682E-01 -0.66503E-02 4749 0.625E-01 0.875E-01 RMM: 3 -0.336374897141E+03 0.52284E-02 -0.80938E-03 5591 0.187E-01 0.144E-01 RMM: 4 -0.336374787243E+03 0.10990E-03 -0.62803E-04 4635 0.553E-02 0.114E-01 RMM: 5 -0.336374741580E+03 0.45662E-04 -0.10495E-04 3692 0.275E-02 0.831E-02 RMM: 6 -0.336374697587E+03 0.43994E-04 -0.29468E-05 2847 0.169E-02 0.207E-02 RMM: 7 -0.336374700762E+03 -0.31754E-05 -0.11078E-05 2477 0.108E-02 2295 T= 5838. E= 0.67479108E+03 F= 0.61989429E+03 E0= 0.64851666E+03 EK= 0.47545E+02 SP= 0.72E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335102759258E+03 0.12719E+01 -0.10094E-01 8000 0.224E+01 0.140E-01 RMM: 2 -0.335111807423E+03 -0.90482E-02 -0.69783E-02 4894 0.631E-01 0.663E-01 RMM: 3 -0.335108723443E+03 0.30840E-02 -0.80451E-03 5917 0.168E-01 0.118E-01 RMM: 4 -0.335108548312E+03 0.17513E-03 -0.40405E-04 4423 0.480E-02 0.843E-02 RMM: 5 -0.335108495105E+03 0.53207E-04 -0.60249E-05 3308 0.228E-02 0.522E-02 RMM: 6 -0.335108482156E+03 0.12950E-04 -0.19005E-05 2516 0.128E-02 2296 T= 5713. E= 0.67479853E+03 F= 0.62116051E+03 E0= 0.64976004E+03 EK= 0.46526E+02 SP= 0.69E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333867348515E+03 0.12411E+01 -0.10651E-01 7776 0.222E+01 0.168E-01 RMM: 2 -0.333881229711E+03 -0.13881E-01 -0.93129E-02 4747 0.733E-01 0.908E-01 RMM: 3 -0.333875325194E+03 0.59045E-02 -0.10966E-02 5679 0.207E-01 0.147E-01 RMM: 4 -0.333875088466E+03 0.23673E-03 -0.66118E-04 5055 0.535E-02 0.719E-02 RMM: 5 -0.333875061618E+03 0.26849E-04 -0.80063E-05 3541 0.260E-02 0.623E-02 RMM: 6 -0.333875042959E+03 0.18659E-04 -0.25505E-05 2567 0.151E-02 2297 T= 5595. E= 0.67480512E+03 F= 0.62239395E+03 E0= 0.65096674E+03 EK= 0.45560E+02 SP= 0.66E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332752894923E+03 0.11222E+01 -0.10055E-01 7728 0.221E+01 0.278E-01 RMM: 2 -0.332774360424E+03 -0.21466E-01 -0.79095E-02 4838 0.692E-01 0.149E+00 RMM: 3 -0.332759080457E+03 0.15280E-01 -0.11663E-02 5380 0.254E-01 0.274E-01 RMM: 4 -0.332758532397E+03 0.54806E-03 -0.13368E-03 4724 0.766E-02 0.773E-02 RMM: 5 -0.332758543317E+03 -0.10920E-04 -0.16824E-04 3955 0.298E-02 2298 T= 5493. E= 0.67481141E+03 F= 0.62351045E+03 E0= 0.65205407E+03 EK= 0.44735E+02 SP= 0.63E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331822340356E+03 0.93619E+00 -0.10122E-01 7888 0.219E+01 0.234E-01 RMM: 2 -0.331842187813E+03 -0.19847E-01 -0.72790E-02 4945 0.632E-01 0.141E+00 RMM: 3 -0.331828327284E+03 0.13861E-01 -0.10066E-02 5387 0.232E-01 0.248E-01 RMM: 4 -0.331827906707E+03 0.42058E-03 -0.10553E-03 4708 0.658E-02 0.871E-02 RMM: 5 -0.331827884169E+03 0.22538E-04 -0.12965E-04 3825 0.300E-02 0.788E-02 RMM: 6 -0.331827844253E+03 0.39916E-04 -0.27098E-05 2664 0.155E-02 0.414E-02 RMM: 7 -0.331827848853E+03 -0.46001E-05 -0.19264E-05 2529 0.138E-02 2299 T= 5418. E= 0.67481611E+03 F= 0.62444114E+03 E0= 0.65295532E+03 EK= 0.44122E+02 SP= 0.59E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331123634758E+03 0.70421E+00 -0.10598E-01 7720 0.219E+01 0.214E-01 RMM: 2 -0.331137805647E+03 -0.14171E-01 -0.85677E-02 4739 0.710E-01 0.102E+00 RMM: 3 -0.331130608994E+03 0.71967E-02 -0.10396E-02 5524 0.215E-01 0.185E-01 RMM: 4 -0.331130384497E+03 0.22450E-03 -0.86592E-04 4776 0.619E-02 0.103E-01 RMM: 5 -0.331130367968E+03 0.16529E-04 -0.13751E-04 3810 0.289E-02 2300 T= 5375. E= 0.67481890E+03 F= 0.62513862E+03 E0= 0.65362434E+03 EK= 0.43772E+02 SP= 0.55E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330681749337E+03 0.44864E+00 -0.10494E-01 7824 0.219E+01 0.141E-01 RMM: 2 -0.330693017418E+03 -0.11268E-01 -0.81738E-02 4943 0.671E-01 0.753E-01 RMM: 3 -0.330689009833E+03 0.40076E-02 -0.93368E-03 5786 0.180E-01 0.133E-01 RMM: 4 -0.330688785224E+03 0.22461E-03 -0.49005E-04 4454 0.503E-02 0.786E-02 RMM: 5 -0.330688739865E+03 0.45359E-04 -0.63788E-05 3369 0.229E-02 0.561E-02 RMM: 6 -0.330688727608E+03 0.12257E-04 -0.20606E-05 2514 0.135E-02 2301 T= 5367. E= 0.67482029E+03 F= 0.62558026E+03 E0= 0.65403962E+03 EK= 0.43710E+02 SP= 0.51E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330495903424E+03 0.19284E+00 -0.10401E-01 7648 0.220E+01 0.220E-01 RMM: 2 -0.330512678098E+03 -0.16775E-01 -0.81389E-02 4776 0.687E-01 0.120E+00 RMM: 3 -0.330502699441E+03 0.99787E-02 -0.10739E-02 5423 0.227E-01 0.198E-01 RMM: 4 -0.330502423960E+03 0.27548E-03 -0.97163E-04 5013 0.585E-02 0.735E-02 RMM: 5 -0.330502390298E+03 0.33662E-04 -0.95911E-05 3749 0.272E-02 0.632E-02 RMM: 6 -0.330502368375E+03 0.21923E-04 -0.23190E-05 2565 0.140E-02 0.430E-02 RMM: 7 -0.330502379443E+03 -0.11068E-04 -0.23626E-05 2549 0.152E-02 2302 T= 5395. E= 0.67481900E+03 F= 0.62576661E+03 E0= 0.65420279E+03 EK= 0.43937E+02 SP= 0.46E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330544057831E+03 -0.41689E-01 -0.10048E-01 7456 0.222E+01 0.274E-01 RMM: 2 -0.330560544684E+03 -0.16487E-01 -0.67452E-02 5046 0.638E-01 0.132E+00 RMM: 3 -0.330548919614E+03 0.11625E-01 -0.95595E-03 5388 0.229E-01 0.250E-01 RMM: 4 -0.330548533733E+03 0.38588E-03 -0.11447E-03 4632 0.714E-02 0.119E-01 RMM: 5 -0.330548544451E+03 -0.10718E-04 -0.19772E-04 3875 0.359E-02 2303 T= 5457. E= 0.67481724E+03 F= 0.62572044E+03 E0= 0.65413636E+03 EK= 0.44435E+02 SP= 0.40E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330780405303E+03 -0.23187E+00 -0.10261E-01 7624 0.224E+01 0.196E-01 RMM: 2 -0.330795042226E+03 -0.14637E-01 -0.64659E-02 5139 0.602E-01 0.118E+00 RMM: 3 -0.330785703719E+03 0.93385E-02 -0.76391E-03 5417 0.190E-01 0.179E-01 RMM: 4 -0.330785467847E+03 0.23587E-03 -0.66905E-04 4763 0.517E-02 0.719E-02 RMM: 5 -0.330785425220E+03 0.42627E-04 -0.70728E-05 3545 0.228E-02 0.579E-02 RMM: 6 -0.330785410131E+03 0.15089E-04 -0.21950E-05 2532 0.140E-02 2304 T= 5546. E= 0.67481502E+03 F= 0.62548358E+03 E0= 0.65388470E+03 EK= 0.45164E+02 SP= 0.34E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331151495672E+03 -0.36607E+00 -0.10323E-01 7480 0.226E+01 0.211E-01 RMM: 2 -0.331166860576E+03 -0.15365E-01 -0.59916E-02 5000 0.585E-01 0.120E+00 RMM: 3 -0.331156350291E+03 0.10510E-01 -0.81574E-03 5363 0.208E-01 0.212E-01 RMM: 4 -0.331156063082E+03 0.28721E-03 -0.84453E-04 4705 0.588E-02 0.758E-02 RMM: 5 -0.331156029595E+03 0.33487E-04 -0.94110E-05 3787 0.247E-02 0.661E-02 RMM: 6 -0.331156007461E+03 0.22134E-04 -0.24784E-05 2611 0.153E-02 0.428E-02 RMM: 7 -0.331156026355E+03 -0.18895E-04 -0.29432E-05 2640 0.165E-02 2305 T= 5657. E= 0.67481030E+03 F= 0.62511296E+03 E0= 0.65350398E+03 EK= 0.46064E+02 SP= 0.28E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331586990807E+03 -0.43098E+00 -0.10601E-01 7616 0.229E+01 0.298E-01 RMM: 2 -0.331607884061E+03 -0.20893E-01 -0.76249E-02 5005 0.686E-01 0.150E+00 RMM: 3 -0.331592509973E+03 0.15374E-01 -0.11082E-02 5370 0.249E-01 0.281E-01 RMM: 4 -0.331591982714E+03 0.52726E-03 -0.14192E-03 4682 0.810E-02 0.113E-01 RMM: 5 -0.331591983253E+03 -0.53860E-06 -0.21928E-04 3880 0.375E-02 0.119E-01 RMM: 6 -0.331591889339E+03 0.93914E-04 -0.64482E-05 3390 0.242E-02 0.306E-02 RMM: 7 -0.331591888930E+03 0.40878E-06 -0.15486E-05 2511 0.117E-02 2306 T= 5780. E= 0.67480549E+03 F= 0.62467710E+03 E0= 0.65306328E+03 EK= 0.47069E+02 SP= 0.22E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332015298405E+03 -0.42341E+00 -0.10642E-01 7904 0.231E+01 0.183E-01 RMM: 2 -0.332028245083E+03 -0.12947E-01 -0.83835E-02 4988 0.674E-01 0.926E-01 RMM: 3 -0.332022400939E+03 0.58441E-02 -0.98934E-03 5587 0.199E-01 0.165E-01 RMM: 4 -0.332022143470E+03 0.25747E-03 -0.67241E-04 4900 0.529E-02 0.814E-02 RMM: 5 -0.332022096682E+03 0.46789E-04 -0.83213E-05 3658 0.253E-02 0.579E-02 RMM: 6 -0.332022078786E+03 0.17896E-04 -0.21747E-05 2539 0.140E-02 2307 T= 5907. E= 0.67480179E+03 F= 0.62424691E+03 E0= 0.65263301E+03 EK= 0.48106E+02 SP= 0.15E+01 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332375493913E+03 -0.35340E+00 -0.10959E-01 7840 0.234E+01 0.211E-01 RMM: 2 -0.332390944818E+03 -0.15451E-01 -0.86669E-02 4951 0.692E-01 0.109E+00 RMM: 3 -0.332382727428E+03 0.82174E-02 -0.10326E-02 5504 0.216E-01 0.235E-01 RMM: 4 -0.332382292760E+03 0.43467E-03 -0.88228E-04 4770 0.618E-02 0.754E-02 RMM: 5 -0.332382266794E+03 0.25965E-04 -0.10992E-04 3850 0.267E-02 0.695E-02 RMM: 6 -0.332382242727E+03 0.24067E-04 -0.23267E-05 2578 0.144E-02 0.500E-02 RMM: 7 -0.332382252767E+03 -0.10040E-04 -0.24084E-05 2583 0.150E-02 2308 T= 6030. E= 0.67479859E+03 F= 0.62388674E+03 E0= 0.65227825E+03 EK= 0.49108E+02 SP= 0.79E+00 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332615909664E+03 -0.23367E+00 -0.11410E-01 7736 0.236E+01 0.221E-01 RMM: 2 -0.332631146259E+03 -0.15237E-01 -0.82575E-02 5013 0.668E-01 0.111E+00 RMM: 3 -0.332622523268E+03 0.86230E-02 -0.98014E-03 5476 0.214E-01 0.206E-01 RMM: 4 -0.332622285700E+03 0.23757E-03 -0.96043E-04 4666 0.658E-02 0.128E-01 RMM: 5 -0.332622222185E+03 0.63515E-04 -0.16155E-04 3876 0.329E-02 0.987E-02 RMM: 6 -0.332622157254E+03 0.64932E-04 -0.47603E-05 3195 0.211E-02 0.299E-02 RMM: 7 -0.332622159072E+03 -0.18187E-05 -0.14527E-05 2503 0.118E-02 2309 T= 6142. E= 0.67479674E+03 F= 0.62364683E+03 E0= 0.65204728E+03 EK= 0.50021E+02 SP= 0.66E-01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332701425407E+03 -0.79268E-01 -0.12151E-01 8208 0.238E+01 0.174E-01 RMM: 2 -0.332714161090E+03 -0.12736E-01 -0.90252E-02 5090 0.681E-01 0.843E-01 RMM: 3 -0.332708983225E+03 0.51779E-02 -0.92547E-03 5636 0.194E-01 0.170E-01 RMM: 4 -0.332708726628E+03 0.25660E-03 -0.61731E-04 4715 0.529E-02 0.888E-02 RMM: 5 -0.332708677631E+03 0.48997E-04 -0.81712E-05 3610 0.245E-02 0.674E-02 RMM: 6 -0.332708655669E+03 0.21962E-04 -0.22375E-05 2554 0.143E-02 0.512E-02 RMM: 7 -0.332708654140E+03 0.15290E-05 -0.26689E-05 2599 0.152E-02 2310 T= 6239. E= 0.67479574E+03 F= 0.62356034E+03 E0= 0.65197174E+03 EK= 0.50805E+02 SP= -.67E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332616508253E+03 0.92147E-01 -0.12653E-01 8240 0.239E+01 0.165E-01 RMM: 2 -0.332627935232E+03 -0.11427E-01 -0.89659E-02 5132 0.664E-01 0.732E-01 RMM: 3 -0.332623862543E+03 0.40727E-02 -0.86641E-03 5866 0.182E-01 0.131E-01 RMM: 4 -0.332623697950E+03 0.16459E-03 -0.49924E-04 4647 0.486E-02 0.100E-01 RMM: 5 -0.332623641451E+03 0.56500E-04 -0.69610E-05 3459 0.234E-02 0.618E-02 RMM: 6 -0.332623622828E+03 0.18623E-04 -0.21711E-05 2549 0.144E-02 2311 T= 6317. E= 0.67479582E+03 F= 0.62364537E+03 E0= 0.65206918E+03 EK= 0.51439E+02 SP= -.14E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332352562368E+03 0.27108E+00 -0.13973E-01 8296 0.240E+01 0.185E-01 RMM: 2 -0.332369601364E+03 -0.17039E-01 -0.12474E-01 4984 0.786E-01 0.910E-01 RMM: 3 -0.332363403406E+03 0.61980E-02 -0.13214E-02 5786 0.220E-01 0.189E-01 RMM: 4 -0.332363009283E+03 0.39412E-03 -0.77251E-04 4755 0.615E-02 0.923E-02 RMM: 5 -0.332362956156E+03 0.53127E-04 -0.10186E-04 3876 0.260E-02 0.684E-02 RMM: 6 -0.332362936593E+03 0.19563E-04 -0.21968E-05 2553 0.139E-02 2312 T= 6375. E= 0.67479737E+03 F= 0.62390605E+03 E0= 0.65234247E+03 EK= 0.51913E+02 SP= -.22E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331924797078E+03 0.43816E+00 -0.14103E-01 8544 0.240E+01 0.304E-01 RMM: 2 -0.331957519736E+03 -0.32723E-01 -0.12111E-01 5071 0.788E-01 0.181E+00 RMM: 3 -0.331934338213E+03 0.23182E-01 -0.15034E-02 5409 0.281E-01 0.275E-01 RMM: 4 -0.331933748217E+03 0.59000E-03 -0.15787E-03 4883 0.786E-02 0.886E-02 RMM: 5 -0.331933713490E+03 0.34727E-04 -0.16499E-04 4232 0.303E-02 0.848E-02 RMM: 6 -0.331933676898E+03 0.36592E-04 -0.27381E-05 2593 0.156E-02 0.592E-02 RMM: 7 -0.331933701516E+03 -0.24619E-04 -0.47129E-05 3115 0.202E-02 0.898E-02 RMM: 8 -0.331933652985E+03 0.48531E-04 -0.89315E-05 3881 0.206E-02 0.472E-02 RMM: 9 -0.331933639951E+03 0.13034E-04 -0.16179E-05 2535 0.116E-02 2313 T= 6414. E= 0.67479938E+03 F= 0.62433535E+03 E0= 0.65278481E+03 EK= 0.52229E+02 SP= -.29E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331339456913E+03 0.59420E+00 -0.16062E-01 8368 0.241E+01 0.234E-01 RMM: 2 -0.331361933843E+03 -0.22477E-01 -0.16325E-01 4969 0.870E-01 0.105E+00 RMM: 3 -0.331352971355E+03 0.89625E-02 -0.15641E-02 5590 0.253E-01 0.203E-01 RMM: 4 -0.331352908924E+03 0.62431E-04 -0.14523E-03 4967 0.867E-02 0.227E-01 RMM: 5 -0.331352653534E+03 0.25539E-03 -0.27900E-04 3909 0.416E-02 0.133E-01 RMM: 6 -0.331352536512E+03 0.11702E-03 -0.81805E-05 3553 0.261E-02 0.325E-02 RMM: 7 -0.331352547767E+03 -0.11255E-04 -0.24334E-05 2609 0.147E-02 2314 T= 6435. E= 0.67480198E+03 F= 0.62491644E+03 E0= 0.65337833E+03 EK= 0.52401E+02 SP= -.37E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330634733998E+03 0.71780E+00 -0.16169E-01 8872 0.240E+01 0.182E-01 RMM: 2 -0.330653905880E+03 -0.19172E-01 -0.14842E-01 5120 0.825E-01 0.890E-01 RMM: 3 -0.330647352603E+03 0.65533E-02 -0.13277E-02 5990 0.221E-01 0.168E-01 RMM: 4 -0.330647003225E+03 0.34938E-03 -0.71352E-04 4763 0.598E-02 0.913E-02 RMM: 5 -0.330646959888E+03 0.43337E-04 -0.10028E-04 3785 0.263E-02 0.697E-02 RMM: 6 -0.330646936170E+03 0.23718E-04 -0.23493E-05 2558 0.144E-02 0.476E-02 RMM: 7 -0.330646939222E+03 -0.30515E-05 -0.44672E-05 2959 0.187E-02 2315 T= 6441. E= 0.67480556E+03 F= 0.62562205E+03 E0= 0.65409588E+03 EK= 0.52453E+02 SP= -.44E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329841782561E+03 0.80515E+00 -0.17806E-01 8784 0.240E+01 0.197E-01 RMM: 2 -0.329864220999E+03 -0.22438E-01 -0.16742E-01 5029 0.889E-01 0.995E-01 RMM: 3 -0.329856176405E+03 0.80446E-02 -0.15475E-02 5942 0.241E-01 0.142E-01 RMM: 4 -0.329855901744E+03 0.27466E-03 -0.83543E-04 4808 0.647E-02 0.124E-01 RMM: 5 -0.329855808157E+03 0.93587E-04 -0.11877E-04 3749 0.292E-02 0.640E-02 RMM: 6 -0.329855788361E+03 0.19795E-04 -0.26850E-05 2590 0.153E-02 2316 T= 6437. E= 0.67480990E+03 F= 0.62641320E+03 E0= 0.65489770E+03 EK= 0.52423E+02 SP= -.52E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329012163229E+03 0.84364E+00 -0.19753E-01 8768 0.239E+01 0.195E-01 RMM: 2 -0.329037236764E+03 -0.25074E-01 -0.18721E-01 5122 0.923E-01 0.105E+00 RMM: 3 -0.329028409889E+03 0.88269E-02 -0.17016E-02 5744 0.255E-01 0.153E-01 RMM: 4 -0.329028105182E+03 0.30471E-03 -0.10115E-03 5331 0.632E-02 0.106E-01 RMM: 5 -0.329028022755E+03 0.82427E-04 -0.10230E-04 3963 0.270E-02 0.684E-02 RMM: 6 -0.329028011191E+03 0.11564E-04 -0.26584E-05 2564 0.155E-02 2317 T= 6429. E= 0.67481409E+03 F= 0.62724098E+03 E0= 0.65573388E+03 EK= 0.52358E+02 SP= -.60E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328201358091E+03 0.82666E+00 -0.20075E-01 8880 0.238E+01 0.329E-01 RMM: 2 -0.328240368467E+03 -0.39010E-01 -0.17670E-01 5055 0.910E-01 0.184E+00 RMM: 3 -0.328215812619E+03 0.24556E-01 -0.18797E-02 5420 0.311E-01 0.329E-01 RMM: 4 -0.328214999848E+03 0.81277E-03 -0.20433E-03 5028 0.914E-02 0.878E-02 RMM: 5 -0.328214995331E+03 0.45167E-05 -0.24013E-04 4473 0.326E-02 0.973E-02 RMM: 6 -0.328214938639E+03 0.56693E-04 -0.32619E-05 2845 0.170E-02 0.498E-02 RMM: 7 -0.328214951794E+03 -0.13155E-04 -0.28191E-05 2681 0.163E-02 2318 T= 6424. E= 0.67481820E+03 F= 0.62805404E+03 E0= 0.65655336E+03 EK= 0.52309E+02 SP= -.67E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327447488402E+03 0.76745E+00 -0.21435E-01 8768 0.237E+01 0.325E-01 RMM: 2 -0.327487750186E+03 -0.40262E-01 -0.20676E-01 5122 0.965E-01 0.176E+00 RMM: 3 -0.327464703041E+03 0.23047E-01 -0.20097E-02 5436 0.317E-01 0.332E-01 RMM: 4 -0.327463938827E+03 0.76421E-03 -0.22375E-03 5182 0.971E-02 0.124E-01 RMM: 5 -0.327463989015E+03 -0.50189E-04 -0.30824E-04 3932 0.393E-02 0.157E-01 RMM: 6 -0.327463826645E+03 0.16237E-03 -0.90104E-05 3599 0.269E-02 0.400E-02 RMM: 7 -0.327463825538E+03 0.11068E-05 -0.19594E-05 2550 0.129E-02 2319 T= 6425. E= 0.67482185E+03 F= 0.62880516E+03 E0= 0.65730864E+03 EK= 0.52325E+02 SP= -.75E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326793063542E+03 0.67076E+00 -0.21575E-01 8920 0.237E+01 0.265E-01 RMM: 2 -0.326825427206E+03 -0.32364E-01 -0.19614E-01 5183 0.938E-01 0.144E+00 RMM: 3 -0.326809724059E+03 0.15703E-01 -0.16532E-02 5484 0.281E-01 0.263E-01 RMM: 4 -0.326809203515E+03 0.52054E-03 -0.15404E-03 5065 0.783E-02 0.968E-02 RMM: 5 -0.326809177171E+03 0.26344E-04 -0.18542E-04 3930 0.340E-02 0.945E-02 RMM: 6 -0.326809117884E+03 0.59287E-04 -0.42080E-05 3053 0.186E-02 0.446E-02 RMM: 7 -0.326809123428E+03 -0.55440E-05 -0.24052E-05 2557 0.154E-02 2320 T= 6439. E= 0.67482375E+03 F= 0.62945987E+03 E0= 0.65796512E+03 EK= 0.52439E+02 SP= -.83E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326250600058E+03 0.55852E+00 -0.20989E-01 8904 0.237E+01 0.209E-01 RMM: 2 -0.326273921164E+03 -0.23321E-01 -0.18269E-01 5373 0.881E-01 0.956E-01 RMM: 3 -0.326266047332E+03 0.78738E-02 -0.13490E-02 5820 0.234E-01 0.176E-01 RMM: 4 -0.326265753782E+03 0.29355E-03 -0.92998E-04 4863 0.648E-02 0.113E-01 RMM: 5 -0.326265700360E+03 0.53422E-04 -0.13353E-04 3833 0.295E-02 0.863E-02 RMM: 6 -0.326265654928E+03 0.45433E-04 -0.34691E-05 2947 0.177E-02 0.390E-02 RMM: 7 -0.326265662017E+03 -0.70897E-05 -0.21301E-05 2538 0.143E-02 2321 T= 6467. E= 0.67482406E+03 F= 0.63000333E+03 E0= 0.65851003E+03 EK= 0.52667E+02 SP= -.91E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325813914066E+03 0.45174E+00 -0.21296E-01 8928 0.238E+01 0.198E-01 RMM: 2 -0.325836444844E+03 -0.22531E-01 -0.18700E-01 5442 0.891E-01 0.868E-01 RMM: 3 -0.325829796616E+03 0.66482E-02 -0.12930E-02 5889 0.228E-01 0.172E-01 RMM: 4 -0.325829543426E+03 0.25319E-03 -0.85404E-04 4813 0.635E-02 0.129E-01 RMM: 5 -0.325829450444E+03 0.92982E-04 -0.13389E-04 3821 0.302E-02 0.789E-02 RMM: 6 -0.325829413202E+03 0.37243E-04 -0.36651E-05 2992 0.181E-02 0.402E-02 RMM: 7 -0.325829423611E+03 -0.10409E-04 -0.28539E-05 2602 0.160E-02 2322 T= 6509. E= 0.67482322E+03 F= 0.63043957E+03 E0= 0.65894642E+03 EK= 0.53007E+02 SP= -.98E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325464659388E+03 0.36475E+00 -0.20770E-01 8888 0.239E+01 0.233E-01 RMM: 2 -0.325489508914E+03 -0.24850E-01 -0.18721E-01 5314 0.907E-01 0.106E+00 RMM: 3 -0.325480354919E+03 0.91540E-02 -0.14200E-02 5882 0.244E-01 0.191E-01 RMM: 4 -0.325480048000E+03 0.30692E-03 -0.10046E-03 4804 0.680E-02 0.126E-01 RMM: 5 -0.325479981670E+03 0.66330E-04 -0.15674E-04 3872 0.317E-02 0.971E-02 RMM: 6 -0.325479923083E+03 0.58587E-04 -0.47673E-05 3167 0.203E-02 0.393E-02 RMM: 7 -0.325479932698E+03 -0.96152E-05 -0.23105E-05 2551 0.147E-02 2323 T= 6562. E= 0.67482134E+03 F= 0.63078906E+03 E0= 0.65929596E+03 EK= 0.53438E+02 SP= -.11E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325167382043E+03 0.31254E+00 -0.21076E-01 8736 0.240E+01 0.222E-01 RMM: 2 -0.325193151498E+03 -0.25769E-01 -0.20778E-01 5238 0.973E-01 0.990E-01 RMM: 3 -0.325185340100E+03 0.78114E-02 -0.17139E-02 6008 0.254E-01 0.193E-01 RMM: 4 -0.325184937101E+03 0.40300E-03 -0.10078E-03 4821 0.709E-02 0.130E-01 RMM: 5 -0.325184846561E+03 0.90539E-04 -0.15658E-04 3875 0.320E-02 0.846E-02 RMM: 6 -0.325184804026E+03 0.42535E-04 -0.38856E-05 3017 0.185E-02 0.401E-02 RMM: 7 -0.325184813141E+03 -0.91148E-05 -0.24759E-05 2556 0.150E-02 2324 T= 6622. E= 0.67481915E+03 F= 0.63108418E+03 E0= 0.65959003E+03 EK= 0.53927E+02 SP= -.11E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324891120121E+03 0.29368E+00 -0.20272E-01 8888 0.241E+01 0.229E-01 RMM: 2 -0.324915521352E+03 -0.24401E-01 -0.19263E-01 5388 0.927E-01 0.994E-01 RMM: 3 -0.324907341647E+03 0.81797E-02 -0.14512E-02 5892 0.241E-01 0.191E-01 RMM: 4 -0.324907033596E+03 0.30805E-03 -0.10018E-03 4812 0.688E-02 0.136E-01 RMM: 5 -0.324906950780E+03 0.82816E-04 -0.16378E-04 3882 0.322E-02 0.102E-01 RMM: 6 -0.324906884998E+03 0.65782E-04 -0.53826E-05 3239 0.215E-02 0.389E-02 RMM: 7 -0.324906895579E+03 -0.10582E-04 -0.28081E-05 2588 0.159E-02 2325 T= 6685. E= 0.67481712E+03 F= 0.63136209E+03 E0= 0.65986571E+03 EK= 0.54436E+02 SP= -.12E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324595023908E+03 0.31186E+00 -0.20027E-01 8824 0.242E+01 0.226E-01 RMM: 2 -0.324618968451E+03 -0.23945E-01 -0.19090E-01 5328 0.931E-01 0.992E-01 RMM: 3 -0.324611147869E+03 0.78206E-02 -0.14951E-02 6017 0.241E-01 0.198E-01 RMM: 4 -0.324610791670E+03 0.35620E-03 -0.98718E-04 4788 0.701E-02 0.134E-01 RMM: 5 -0.324610686966E+03 0.10470E-03 -0.15835E-04 3876 0.315E-02 0.857E-02 RMM: 6 -0.324610642987E+03 0.43979E-04 -0.40069E-05 3045 0.190E-02 0.412E-02 RMM: 7 -0.324610650844E+03 -0.78572E-05 -0.25217E-05 2553 0.148E-02 2326 T= 6745. E= 0.67481540E+03 F= 0.63165834E+03 E0= 0.66015720E+03 EK= 0.54927E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324252833883E+03 0.35781E+00 -0.18884E-01 8856 0.242E+01 0.211E-01 RMM: 2 -0.324274095327E+03 -0.21261E-01 -0.17367E-01 5463 0.875E-01 0.890E-01 RMM: 3 -0.324267192195E+03 0.69031E-02 -0.12007E-02 5888 0.223E-01 0.187E-01 RMM: 4 -0.324266944292E+03 0.24790E-03 -0.88432E-04 4792 0.652E-02 0.133E-01 RMM: 5 -0.324266844943E+03 0.99349E-04 -0.14246E-04 3857 0.301E-02 0.923E-02 RMM: 6 -0.324266793614E+03 0.51329E-04 -0.44564E-05 3117 0.200E-02 0.408E-02 RMM: 7 -0.324266801117E+03 -0.75035E-05 -0.30649E-05 2610 0.162E-02 2327 T= 6799. E= 0.67481399E+03 F= 0.63200219E+03 E0= 0.66049434E+03 EK= 0.55368E+02 SP= -.14E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323842591882E+03 0.42420E+00 -0.18052E-01 8912 0.243E+01 0.217E-01 RMM: 2 -0.323863186498E+03 -0.20595E-01 -0.16138E-01 5576 0.840E-01 0.956E-01 RMM: 3 -0.323855689169E+03 0.74973E-02 -0.10754E-02 6027 0.212E-01 0.199E-01 RMM: 4 -0.323855395458E+03 0.29371E-03 -0.83441E-04 4708 0.643E-02 0.125E-01 RMM: 5 -0.323855303560E+03 0.91898E-04 -0.13747E-04 3847 0.293E-02 0.862E-02 RMM: 6 -0.323855259921E+03 0.43640E-04 -0.37100E-05 3003 0.188E-02 0.444E-02 RMM: 7 -0.323855264938E+03 -0.50173E-05 -0.25453E-05 2567 0.146E-02 2328 T= 6844. E= 0.67481370E+03 F= 0.63241372E+03 E0= 0.66089654E+03 EK= 0.55736E+02 SP= -.14E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323360108392E+03 0.49515E+00 -0.17767E-01 8896 0.244E+01 0.200E-01 RMM: 2 -0.323380445487E+03 -0.20337E-01 -0.16381E-01 5452 0.857E-01 0.890E-01 RMM: 3 -0.323373665607E+03 0.67799E-02 -0.11972E-02 5849 0.225E-01 0.192E-01 RMM: 4 -0.323373374484E+03 0.29112E-03 -0.82955E-04 4761 0.630E-02 0.115E-01 RMM: 5 -0.323373300078E+03 0.74405E-04 -0.12435E-04 3813 0.286E-02 0.859E-02 RMM: 6 -0.323373258587E+03 0.41491E-04 -0.36728E-05 2988 0.184E-02 0.441E-02 RMM: 7 -0.323373264759E+03 -0.61724E-05 -0.33520E-05 2677 0.170E-02 2329 T= 6880. E= 0.67481471E+03 F= 0.63289572E+03 E0= 0.66136906E+03 EK= 0.56025E+02 SP= -.15E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322828514675E+03 0.54474E+00 -0.17031E-01 8688 0.244E+01 0.214E-01 RMM: 2 -0.322849165853E+03 -0.20651E-01 -0.15270E-01 5500 0.833E-01 0.102E+00 RMM: 3 -0.322840867675E+03 0.82982E-02 -0.11308E-02 5887 0.221E-01 0.210E-01 RMM: 4 -0.322840524123E+03 0.34355E-03 -0.86800E-04 4736 0.655E-02 0.112E-01 RMM: 5 -0.322840462362E+03 0.61761E-04 -0.13085E-04 3789 0.289E-02 0.905E-02 RMM: 6 -0.322840415952E+03 0.46410E-04 -0.36366E-05 2964 0.188E-02 0.480E-02 RMM: 7 -0.322840420669E+03 -0.47176E-05 -0.24074E-05 2571 0.144E-02 2330 T= 6908. E= 0.67481765E+03 F= 0.63342857E+03 E0= 0.66189268E+03 EK= 0.56254E+02 SP= -.16E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322289995751E+03 0.55042E+00 -0.16356E-01 8768 0.244E+01 0.200E-01 RMM: 2 -0.322309725775E+03 -0.19730E-01 -0.15401E-01 5459 0.853E-01 0.916E-01 RMM: 3 -0.322303134186E+03 0.65916E-02 -0.12849E-02 5659 0.237E-01 0.206E-01 RMM: 4 -0.322302801898E+03 0.33229E-03 -0.87277E-04 4883 0.628E-02 0.104E-01 RMM: 5 -0.322302742702E+03 0.59196E-04 -0.11340E-04 3777 0.282E-02 0.828E-02 RMM: 6 -0.322302708979E+03 0.33724E-04 -0.31128E-05 2800 0.172E-02 0.510E-02 RMM: 7 -0.322302713785E+03 -0.48067E-05 -0.31508E-05 2674 0.170E-02 2331 T= 6934. E= 0.67482230E+03 F= 0.63396628E+03 E0= 0.66242469E+03 EK= 0.56466E+02 SP= -.17E+02 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321816204716E+03 0.48650E+00 -0.15589E-01 8544 0.245E+01 0.212E-01 RMM: 2 -0.321837061829E+03 -0.20857E-01 -0.14765E-01 5583 0.846E-01 0.104E+00 RMM: 3 -0.321828772544E+03 0.82893E-02 -0.12495E-02 5566 0.234E-01 0.199E-01 RMM: 4 -0.321828468745E+03 0.30380E-03 -0.93025E-04 4783 0.659E-02 0.112E-01 RMM: 5 -0.321828405741E+03 0.63004E-04 -0.12463E-04 3877 0.283E-02 0.869E-02 RMM: 6 -0.321828367541E+03 0.38200E-04 -0.30242E-05 2774 0.170E-02 0.536E-02 RMM: 7 -0.321828373206E+03 -0.56647E-05 -0.21513E-05 2569 0.142E-02 2332 T= 6966. E= 0.67482740E+03 F= 0.63444062E+03 E0= 0.66289704E+03 EK= 0.56727E+02 SP= -.17E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321478952842E+03 0.34941E+00 -0.14348E-01 8608 0.245E+01 0.210E-01 RMM: 2 -0.321496431895E+03 -0.17479E-01 -0.13573E-01 5385 0.820E-01 0.879E-01 RMM: 3 -0.321490351467E+03 0.60804E-02 -0.12576E-02 5635 0.239E-01 0.174E-01 RMM: 4 -0.321490122782E+03 0.22868E-03 -0.86311E-04 5089 0.592E-02 0.107E-01 RMM: 5 -0.321490054662E+03 0.68120E-04 -0.89354E-05 3620 0.264E-02 0.788E-02 RMM: 6 -0.321490028813E+03 0.25849E-04 -0.25801E-05 2573 0.157E-02 0.550E-02 RMM: 7 -0.321490033278E+03 -0.44651E-05 -0.27159E-05 2650 0.159E-02 2333 T= 7013. E= 0.67483091E+03 F= 0.63477896E+03 E0= 0.66323855E+03 EK= 0.57108E+02 SP= -.18E+02 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321324383177E+03 0.16565E+00 -0.13178E-01 8048 0.246E+01 0.188E-01 RMM: 2 -0.321340797129E+03 -0.16414E-01 -0.12103E-01 5345 0.773E-01 0.894E-01 RMM: 3 -0.321334536820E+03 0.62603E-02 -0.11146E-02 5570 0.220E-01 0.194E-01 RMM: 4 -0.321334265111E+03 0.27171E-03 -0.82954E-04 4760 0.627E-02 0.105E-01 RMM: 5 -0.321334209352E+03 0.55759E-04 -0.11298E-04 3792 0.274E-02 0.842E-02 RMM: 6 -0.321334170956E+03 0.38396E-04 -0.29372E-05 2763 0.169E-02 0.479E-02 RMM: 7 -0.321334173614E+03 -0.26571E-05 -0.18403E-05 2525 0.133E-02 2334 T= 7079. E= 0.67483080E+03 F= 0.63493482E+03 E0= 0.66340221E+03 EK= 0.57651E+02 SP= -.19E+02 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321343447615E+03 -0.92767E-02 -0.12774E-01 7880 0.249E+01 0.195E-01 RMM: 2 -0.321357503734E+03 -0.14056E-01 -0.10043E-01 5162 0.721E-01 0.890E-01 RMM: 3 -0.321351610272E+03 0.58935E-02 -0.98681E-03 5649 0.208E-01 0.191E-01 RMM: 4 -0.321351329856E+03 0.28042E-03 -0.71139E-04 4753 0.571E-02 0.892E-02 RMM: 5 -0.321351288447E+03 0.41410E-04 -0.96514E-05 3707 0.257E-02 0.761E-02 RMM: 6 -0.321351256925E+03 0.31522E-04 -0.24624E-05 2614 0.154E-02 0.432E-02 RMM: 7 -0.321351257354E+03 -0.42893E-06 -0.14740E-05 2498 0.120E-02 2335 T= 7165. E= 0.67482636E+03 F= 0.63491773E+03 E0= 0.66339764E+03 EK= 0.58347E+02 SP= -.19E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321459691839E+03 -0.10843E+00 -0.13313E-01 7976 0.251E+01 0.175E-01 RMM: 2 -0.321472406703E+03 -0.12715E-01 -0.10249E-01 5084 0.734E-01 0.739E-01 RMM: 3 -0.321468205259E+03 0.42014E-02 -0.10079E-02 5683 0.204E-01 0.154E-01 RMM: 4 -0.321468018021E+03 0.18724E-03 -0.63642E-04 4736 0.549E-02 0.104E-01 RMM: 5 -0.321467956703E+03 0.61318E-04 -0.92415E-05 3649 0.264E-02 0.724E-02 RMM: 6 -0.321467927598E+03 0.29105E-04 -0.25897E-05 2583 0.157E-02 0.407E-02 RMM: 7 -0.321467926413E+03 0.11850E-05 -0.18527E-05 2514 0.131E-02 2336 T= 7260. E= 0.67481937E+03 F= 0.63480106E+03 E0= 0.66329669E+03 EK= 0.59120E+02 SP= -.20E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321563778139E+03 -0.95851E-01 -0.13768E-01 8112 0.254E+01 0.201E-01 RMM: 2 -0.321578719732E+03 -0.14942E-01 -0.11531E-01 5227 0.772E-01 0.859E-01 RMM: 3 -0.321573186169E+03 0.55336E-02 -0.10954E-02 5840 0.207E-01 0.175E-01 RMM: 4 -0.321572915649E+03 0.27052E-03 -0.71364E-04 4732 0.588E-02 0.119E-01 RMM: 5 -0.321572826290E+03 0.89360E-04 -0.11109E-04 3766 0.279E-02 0.757E-02 RMM: 6 -0.321572797744E+03 0.28546E-04 -0.25163E-05 2580 0.154E-02 0.495E-02 RMM: 7 -0.321572795150E+03 0.25940E-05 -0.21140E-05 2550 0.137E-02 2337 T= 7350. E= 0.67481297E+03 F= 0.63469619E+03 E0= 0.66320948E+03 EK= 0.59858E+02 SP= -.20E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321549041758E+03 0.23756E-01 -0.14136E-01 8352 0.256E+01 0.202E-01 RMM: 2 -0.321565069720E+03 -0.16028E-01 -0.12742E-01 5328 0.792E-01 0.852E-01 RMM: 3 -0.321559427526E+03 0.56422E-02 -0.11212E-02 5878 0.209E-01 0.181E-01 RMM: 4 -0.321559155861E+03 0.27167E-03 -0.74969E-04 4726 0.596E-02 0.124E-01 RMM: 5 -0.321559054960E+03 0.10090E-03 -0.11144E-04 3771 0.274E-02 0.783E-02 RMM: 6 -0.321559029355E+03 0.25604E-04 -0.25114E-05 2595 0.154E-02 0.564E-02 RMM: 7 -0.321559025682E+03 0.36730E-05 -0.25660E-05 2614 0.147E-02 2338 T= 7423. E= 0.67480950E+03 F= 0.63470996E+03 E0= 0.66324141E+03 EK= 0.60450E+02 SP= -.21E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321346644495E+03 0.21238E+00 -0.15220E-01 8432 0.258E+01 0.209E-01 RMM: 2 -0.321364200080E+03 -0.17556E-01 -0.14268E-01 5371 0.829E-01 0.875E-01 RMM: 3 -0.321358288038E+03 0.59120E-02 -0.12548E-02 6029 0.214E-01 0.180E-01 RMM: 4 -0.321357990817E+03 0.29722E-03 -0.76590E-04 4724 0.615E-02 0.138E-01 RMM: 5 -0.321357863532E+03 0.12729E-03 -0.12656E-04 3830 0.285E-02 0.820E-02 RMM: 6 -0.321357834008E+03 0.29524E-04 -0.27996E-05 2719 0.162E-02 0.585E-02 RMM: 7 -0.321357828401E+03 0.56066E-05 -0.32732E-05 2650 0.161E-02 2339 T= 7469. E= 0.67480913E+03 F= 0.63491116E+03 E0= 0.66345936E+03 EK= 0.60823E+02 SP= -.21E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320935840939E+03 0.42199E+00 -0.16093E-01 8376 0.258E+01 0.216E-01 RMM: 2 -0.320955013332E+03 -0.19172E-01 -0.15440E-01 5287 0.864E-01 0.914E-01 RMM: 3 -0.320948661915E+03 0.63514E-02 -0.14559E-02 6012 0.229E-01 0.170E-01 RMM: 4 -0.320948361873E+03 0.30004E-03 -0.85324E-04 4773 0.639E-02 0.141E-01 RMM: 5 -0.320948235968E+03 0.12590E-03 -0.13307E-04 3833 0.289E-02 0.832E-02 RMM: 6 -0.320948204586E+03 0.31382E-04 -0.30960E-05 2809 0.169E-02 0.574E-02 RMM: 7 -0.320948202103E+03 0.24831E-05 -0.31181E-05 2631 0.161E-02 2340 T= 7484. E= 0.67481190E+03 F= 0.63532079E+03 E0= 0.66388301E+03 EK= 0.60949E+02 SP= -.22E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320344708694E+03 0.60350E+00 -0.16140E-01 8408 0.257E+01 0.213E-01 RMM: 2 -0.320363492654E+03 -0.18784E-01 -0.15308E-01 5364 0.849E-01 0.901E-01 RMM: 3 -0.320357167309E+03 0.63253E-02 -0.13292E-02 6147 0.221E-01 0.170E-01 RMM: 4 -0.320356892136E+03 0.27517E-03 -0.78274E-04 4779 0.616E-02 0.136E-01 RMM: 5 -0.320356769130E+03 0.12301E-03 -0.12231E-04 3773 0.270E-02 0.815E-02 RMM: 6 -0.320356737967E+03 0.31163E-04 -0.29540E-05 2792 0.167E-02 0.541E-02 RMM: 7 -0.320356737525E+03 0.44230E-06 -0.34178E-05 2650 0.166E-02 2341 T= 7473. E= 0.67481683E+03 F= 0.63591225E+03 E0= 0.66448511E+03 EK= 0.60853E+02 SP= -.22E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319633141283E+03 0.72360E+00 -0.16525E-01 8512 0.255E+01 0.211E-01 RMM: 2 -0.319652414126E+03 -0.19273E-01 -0.15862E-01 5378 0.855E-01 0.875E-01 RMM: 3 -0.319646205860E+03 0.62083E-02 -0.13571E-02 6124 0.221E-01 0.160E-01 RMM: 4 -0.319645970185E+03 0.23568E-03 -0.79841E-04 4758 0.617E-02 0.145E-01 RMM: 5 -0.319645839887E+03 0.13030E-03 -0.13013E-04 3766 0.281E-02 0.821E-02 RMM: 6 -0.319645803491E+03 0.36396E-04 -0.33576E-05 2926 0.177E-02 0.480E-02 RMM: 7 -0.319645806411E+03 -0.29197E-05 -0.30786E-05 2617 0.161E-02 2342 T= 7441. E= 0.67482332E+03 F= 0.63662318E+03 E0= 0.66520350E+03 EK= 0.60595E+02 SP= -.23E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318885595587E+03 0.76021E+00 -0.17459E-01 8632 0.253E+01 0.208E-01 RMM: 2 -0.318905191565E+03 -0.19596E-01 -0.16429E-01 5369 0.876E-01 0.863E-01 RMM: 3 -0.318899104434E+03 0.60871E-02 -0.13501E-02 6211 0.222E-01 0.162E-01 RMM: 4 -0.318898840165E+03 0.26427E-03 -0.78169E-04 4790 0.614E-02 0.132E-01 RMM: 5 -0.318898726367E+03 0.11380E-03 -0.12110E-04 3789 0.268E-02 0.806E-02 RMM: 6 -0.318898692644E+03 0.33723E-04 -0.31101E-05 2842 0.172E-02 0.473E-02 RMM: 7 -0.318898697362E+03 -0.47184E-05 -0.32120E-05 2627 0.164E-02 2343 T= 7400. E= 0.67482951E+03 F= 0.63737029E+03 E0= 0.66595579E+03 EK= 0.60258E+02 SP= -.23E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318187641558E+03 0.71105E+00 -0.17956E-01 8648 0.251E+01 0.192E-01 RMM: 2 -0.318207169610E+03 -0.19528E-01 -0.16975E-01 5472 0.871E-01 0.764E-01 RMM: 3 -0.318201698363E+03 0.54712E-02 -0.12391E-02 6153 0.214E-01 0.155E-01 RMM: 4 -0.318201465165E+03 0.23320E-03 -0.70972E-04 4760 0.585E-02 0.131E-01 RMM: 5 -0.318201361228E+03 0.10394E-03 -0.11438E-04 3729 0.274E-02 0.786E-02 RMM: 6 -0.318201326525E+03 0.34703E-04 -0.32819E-05 2918 0.175E-02 0.443E-02 RMM: 7 -0.318201332999E+03 -0.64735E-05 -0.34346E-05 2670 0.172E-02 2344 T= 7359. E= 0.67483467E+03 F= 0.63806766E+03 E0= 0.66665726E+03 EK= 0.59927E+02 SP= -.23E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317614760420E+03 0.58657E+00 -0.18932E-01 8648 0.250E+01 0.200E-01 RMM: 2 -0.317636258084E+03 -0.21498E-01 -0.18440E-01 5224 0.938E-01 0.831E-01 RMM: 3 -0.317630400651E+03 0.58574E-02 -0.15873E-02 6173 0.242E-01 0.168E-01 RMM: 4 -0.317630078228E+03 0.32242E-03 -0.82303E-04 4796 0.644E-02 0.124E-01 RMM: 5 -0.317629987113E+03 0.91115E-04 -0.12960E-04 3794 0.285E-02 0.845E-02 RMM: 6 -0.317629946431E+03 0.40682E-04 -0.36670E-05 2968 0.184E-02 0.416E-02 RMM: 7 -0.317629953979E+03 -0.75484E-05 -0.28776E-05 2574 0.162E-02 2345 T= 7329. E= 0.67483894E+03 F= 0.63863904E+03 E0= 0.66723350E+03 EK= 0.59683E+02 SP= -.24E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317231148271E+03 0.39880E+00 -0.18700E-01 8776 0.249E+01 0.184E-01 RMM: 2 -0.317251069447E+03 -0.19921E-01 -0.17472E-01 5398 0.897E-01 0.743E-01 RMM: 3 -0.317245842282E+03 0.52272E-02 -0.13300E-02 6118 0.225E-01 0.163E-01 RMM: 4 -0.317245564464E+03 0.27782E-03 -0.71539E-04 4747 0.601E-02 0.119E-01 RMM: 5 -0.317245482531E+03 0.81933E-04 -0.11607E-04 3742 0.288E-02 0.759E-02 RMM: 6 -0.317245451124E+03 0.31407E-04 -0.33879E-05 2934 0.176E-02 0.439E-02 RMM: 7 -0.317245460051E+03 -0.89271E-05 -0.33229E-05 2633 0.173E-02 2346 T= 7317. E= 0.67484159E+03 F= 0.63902353E+03 E0= 0.66762509E+03 EK= 0.59587E+02 SP= -.24E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317071970157E+03 0.17348E+00 -0.19255E-01 8632 0.248E+01 0.197E-01 RMM: 2 -0.317093663097E+03 -0.21693E-01 -0.18631E-01 5246 0.944E-01 0.815E-01 RMM: 3 -0.317087776733E+03 0.58864E-02 -0.15658E-02 6115 0.243E-01 0.166E-01 RMM: 4 -0.317087468772E+03 0.30796E-03 -0.79149E-04 4793 0.636E-02 0.121E-01 RMM: 5 -0.317087388947E+03 0.79825E-04 -0.12567E-04 3804 0.295E-02 0.854E-02 RMM: 6 -0.317087347021E+03 0.41927E-04 -0.39440E-05 3015 0.190E-02 0.404E-02 RMM: 7 -0.317087355386E+03 -0.83650E-05 -0.26894E-05 2562 0.160E-02 2347 T= 7329. E= 0.67484256E+03 F= 0.63918163E+03 E0= 0.66779374E+03 EK= 0.59681E+02 SP= -.24E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317158693548E+03 -0.71347E-01 -0.18557E-01 8768 0.249E+01 0.188E-01 RMM: 2 -0.317178284123E+03 -0.19591E-01 -0.16812E-01 5406 0.886E-01 0.781E-01 RMM: 3 -0.317172775931E+03 0.55082E-02 -0.12727E-02 6113 0.223E-01 0.167E-01 RMM: 4 -0.317172508035E+03 0.26790E-03 -0.70610E-04 4740 0.604E-02 0.121E-01 RMM: 5 -0.317172422044E+03 0.85990E-04 -0.11761E-04 3761 0.291E-02 0.768E-02 RMM: 6 -0.317172391397E+03 0.30647E-04 -0.33319E-05 2918 0.176E-02 0.441E-02 RMM: 7 -0.317172400091E+03 -0.86944E-05 -0.27276E-05 2570 0.157E-02 2348 T= 7366. E= 0.67484218E+03 F= 0.63909659E+03 E0= 0.66772325E+03 EK= 0.59982E+02 SP= -.24E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317482879247E+03 -0.31049E+00 -0.18662E-01 8560 0.250E+01 0.190E-01 RMM: 2 -0.317502427301E+03 -0.19548E-01 -0.17072E-01 5345 0.901E-01 0.750E-01 RMM: 3 -0.317497145568E+03 0.52817E-02 -0.13682E-02 6076 0.230E-01 0.153E-01 RMM: 4 -0.317496913454E+03 0.23211E-03 -0.71181E-04 4777 0.600E-02 0.128E-01 RMM: 5 -0.317496815756E+03 0.97698E-04 -0.11470E-04 3731 0.292E-02 0.805E-02 RMM: 6 -0.317496780952E+03 0.34804E-04 -0.36906E-05 2952 0.186E-02 0.424E-02 RMM: 7 -0.317496787398E+03 -0.64452E-05 -0.26937E-05 2564 0.158E-02 2349 T= 7427. E= 0.67484009E+03 F= 0.63877220E+03 E0= 0.66741645E+03 EK= 0.60484E+02 SP= -.24E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318021789042E+03 -0.52501E+00 -0.18185E-01 8600 0.252E+01 0.193E-01 RMM: 2 -0.318040580650E+03 -0.18792E-01 -0.15776E-01 5393 0.864E-01 0.810E-01 RMM: 3 -0.318034806066E+03 0.57746E-02 -0.11937E-02 6149 0.217E-01 0.157E-01 RMM: 4 -0.318034590824E+03 0.21524E-03 -0.67010E-04 4693 0.599E-02 0.134E-01 RMM: 5 -0.318034481827E+03 0.10900E-03 -0.12065E-04 3784 0.297E-02 0.777E-02 RMM: 6 -0.318034450727E+03 0.31100E-04 -0.32217E-05 2866 0.174E-02 0.443E-02 RMM: 7 -0.318034457266E+03 -0.65395E-05 -0.24479E-05 2556 0.149E-02 2350 T= 7510. E= 0.67483617E+03 F= 0.63823453E+03 E0= 0.66689836E+03 EK= 0.61158E+02 SP= -.25E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318724712343E+03 -0.69026E+00 -0.17898E-01 8528 0.254E+01 0.181E-01 RMM: 2 -0.318741913636E+03 -0.17201E-01 -0.15593E-01 5392 0.858E-01 0.652E-01 RMM: 3 -0.318737563586E+03 0.43500E-02 -0.11907E-02 6111 0.216E-01 0.131E-01 RMM: 4 -0.318737420716E+03 0.14287E-03 -0.61312E-04 4729 0.556E-02 0.142E-01 RMM: 5 -0.318737291580E+03 0.12914E-03 -0.10550E-04 3699 0.286E-02 0.707E-02 RMM: 6 -0.318737267698E+03 0.23882E-04 -0.32086E-05 2813 0.172E-02 0.445E-02 RMM: 7 -0.318737267685E+03 0.13391E-07 -0.27393E-05 2564 0.157E-02 2351 T= 7608. E= 0.67483034E+03 F= 0.63753172E+03 E0= 0.66621462E+03 EK= 0.61952E+02 SP= -.25E+02 SK= 0.79E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319524966240E+03 -0.78770E+00 -0.17314E-01 8560 0.256E+01 0.191E-01 RMM: 2 -0.319542909873E+03 -0.17944E-01 -0.14995E-01 5342 0.850E-01 0.806E-01 RMM: 3 -0.319537216958E+03 0.56929E-02 -0.11520E-02 6183 0.214E-01 0.151E-01 RMM: 4 -0.319537031433E+03 0.18552E-03 -0.66265E-04 4710 0.608E-02 0.140E-01 RMM: 5 -0.319536902979E+03 0.12845E-03 -0.12266E-04 3802 0.302E-02 0.737E-02 RMM: 6 -0.319536876560E+03 0.26419E-04 -0.30041E-05 2784 0.169E-02 0.445E-02 RMM: 7 -0.319536880122E+03 -0.35616E-05 -0.24291E-05 2554 0.146E-02 2352 T= 7711. E= 0.67482363E+03 F= 0.63673211E+03 E0= 0.66543237E+03 EK= 0.62794E+02 SP= -.25E+02 SK= 0.67E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.320338738563E+03 -0.80186E+00 -0.17443E-01 8592 0.259E+01 0.174E-01 RMM: 2 -0.320356228339E+03 -0.17490E-01 -0.16139E-01 5125 0.903E-01 0.618E-01 RMM: 3 -0.320352525694E+03 0.37026E-02 -0.14483E-02 6176 0.234E-01 0.143E-01 RMM: 4 -0.320352299119E+03 0.22658E-03 -0.64069E-04 4736 0.595E-02 0.138E-01 RMM: 5 -0.320352166749E+03 0.13237E-03 -0.11602E-04 3762 0.309E-02 0.655E-02 RMM: 6 -0.320352148360E+03 0.18388E-04 -0.32687E-05 2792 0.172E-02 2353 T= 7809. E= 0.67481650E+03 F= 0.63591684E+03 E0= 0.66463082E+03 EK= 0.63596E+02 SP= -.25E+02 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321082614131E+03 -0.73045E+00 -0.17563E-01 8352 0.261E+01 0.193E-01 RMM: 2 -0.321102995930E+03 -0.20382E-01 -0.16402E-01 5170 0.910E-01 0.867E-01 RMM: 3 -0.321096645534E+03 0.63504E-02 -0.14876E-02 5760 0.248E-01 0.181E-01 RMM: 4 -0.321096348322E+03 0.29721E-03 -0.84621E-04 4828 0.645E-02 0.109E-01 RMM: 5 -0.321096263004E+03 0.85319E-04 -0.12369E-04 3866 0.298E-02 0.730E-02 RMM: 6 -0.321096240569E+03 0.22435E-04 -0.32339E-05 2780 0.173E-02 0.551E-02 RMM: 7 -0.321096246980E+03 -0.64106E-05 -0.35665E-05 2694 0.178E-02 2354 T= 7892. E= 0.67481038E+03 F= 0.63517274E+03 E0= 0.66389610E+03 EK= 0.64267E+02 SP= -.25E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321680065226E+03 -0.58382E+00 -0.16689E-01 8280 0.264E+01 0.253E-01 RMM: 2 -0.321703110577E+03 -0.23045E-01 -0.14949E-01 5041 0.898E-01 0.121E+00 RMM: 3 -0.321692379145E+03 0.10731E-01 -0.14642E-02 5739 0.256E-01 0.246E-01 RMM: 4 -0.321691895160E+03 0.48399E-03 -0.12457E-03 4892 0.816E-02 0.127E-01 RMM: 5 -0.321691838592E+03 0.56568E-04 -0.19297E-04 3892 0.351E-02 0.103E-01 RMM: 6 -0.321691770434E+03 0.68158E-04 -0.44849E-05 3123 0.206E-02 0.375E-02 RMM: 7 -0.321691771260E+03 -0.82637E-06 -0.18513E-05 2515 0.129E-02 2355 T= 7948. E= 0.67480559E+03 F= 0.63457722E+03 E0= 0.66330530E+03 EK= 0.64726E+02 SP= -.25E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322068172508E+03 -0.37640E+00 -0.16705E-01 8224 0.265E+01 0.202E-01 RMM: 2 -0.322088920057E+03 -0.20748E-01 -0.16170E-01 5084 0.916E-01 0.952E-01 RMM: 3 -0.322081904540E+03 0.70155E-02 -0.15269E-02 5938 0.247E-01 0.184E-01 RMM: 4 -0.322081555347E+03 0.34919E-03 -0.80380E-04 4773 0.644E-02 0.113E-01 RMM: 5 -0.322081471711E+03 0.83636E-04 -0.12671E-04 3810 0.307E-02 0.752E-02 RMM: 6 -0.322081441681E+03 0.30029E-04 -0.35919E-05 2902 0.179E-02 0.494E-02 RMM: 7 -0.322081442396E+03 -0.71514E-06 -0.33500E-05 2616 0.169E-02 2356 T= 7971. E= 0.67480270E+03 F= 0.63418755E+03 E0= 0.66291539E+03 EK= 0.64912E+02 SP= -.24E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322225113722E+03 -0.14367E+00 -0.16024E-01 8000 0.266E+01 0.203E-01 RMM: 2 -0.322243991818E+03 -0.18878E-01 -0.15529E-01 5070 0.904E-01 0.858E-01 RMM: 3 -0.322238195293E+03 0.57965E-02 -0.15195E-02 6083 0.240E-01 0.180E-01 RMM: 4 -0.322237831702E+03 0.36359E-03 -0.76343E-04 4821 0.634E-02 0.115E-01 RMM: 5 -0.322237760583E+03 0.71119E-04 -0.12395E-04 3782 0.300E-02 0.806E-02 RMM: 6 -0.322237723249E+03 0.37334E-04 -0.34900E-05 2932 0.181E-02 0.415E-02 RMM: 7 -0.322237724495E+03 -0.12459E-05 -0.23214E-05 2531 0.149E-02 2357 T= 7957. E= 0.67480221E+03 F= 0.63403126E+03 E0= 0.66275389E+03 EK= 0.64798E+02 SP= -.24E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322157745815E+03 0.79977E-01 -0.16067E-01 8016 0.266E+01 0.196E-01 RMM: 2 -0.322176711195E+03 -0.18965E-01 -0.15882E-01 5060 0.919E-01 0.842E-01 RMM: 3 -0.322171267512E+03 0.54437E-02 -0.15696E-02 6088 0.239E-01 0.177E-01 RMM: 4 -0.322170892992E+03 0.37452E-03 -0.76531E-04 4795 0.644E-02 0.119E-01 RMM: 5 -0.322170807466E+03 0.85526E-04 -0.12213E-04 3774 0.293E-02 0.784E-02 RMM: 6 -0.322170773791E+03 0.33675E-04 -0.32382E-05 2853 0.174E-02 0.438E-02 RMM: 7 -0.322170773775E+03 0.15420E-07 -0.25572E-05 2551 0.152E-02 2358 T= 7908. E= 0.67480500E+03 F= 0.63409822E+03 E0= 0.66281051E+03 EK= 0.64398E+02 SP= -.24E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321917888360E+03 0.25289E+00 -0.15874E-01 7944 0.265E+01 0.208E-01 RMM: 2 -0.321937321003E+03 -0.19433E-01 -0.15769E-01 4913 0.935E-01 0.896E-01 RMM: 3 -0.321931452180E+03 0.58688E-02 -0.17255E-02 5982 0.252E-01 0.185E-01 RMM: 4 -0.321931031289E+03 0.42089E-03 -0.82064E-04 4928 0.653E-02 0.110E-01 RMM: 5 -0.321930962840E+03 0.68449E-04 -0.12561E-04 3840 0.299E-02 0.827E-02 RMM: 6 -0.321930924818E+03 0.38022E-04 -0.35294E-05 2912 0.181E-02 0.453E-02 RMM: 7 -0.321930925287E+03 -0.46835E-06 -0.32130E-05 2612 0.173E-02 2359 T= 7830. E= 0.67481018E+03 F= 0.63433806E+03 E0= 0.66303493E+03 EK= 0.63764E+02 SP= -.24E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321590112251E+03 0.34081E+00 -0.15311E-01 7840 0.263E+01 0.208E-01 RMM: 2 -0.321608083085E+03 -0.17971E-01 -0.13815E-01 4977 0.876E-01 0.937E-01 RMM: 3 -0.321601841261E+03 0.62418E-02 -0.14839E-02 5885 0.240E-01 0.196E-01 RMM: 4 -0.321601451991E+03 0.38927E-03 -0.82866E-04 4765 0.662E-02 0.109E-01 RMM: 5 -0.321601387875E+03 0.64117E-04 -0.12797E-04 3805 0.290E-02 0.842E-02 RMM: 6 -0.321601348102E+03 0.39773E-04 -0.32468E-05 2843 0.175E-02 0.422E-02 RMM: 7 -0.321601349618E+03 -0.15162E-05 -0.19306E-05 2516 0.137E-02 2360 T= 7735. E= 0.67481739E+03 F= 0.63466764E+03 E0= 0.66334416E+03 EK= 0.62986E+02 SP= -.23E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321275000408E+03 0.32635E+00 -0.14264E-01 7696 0.260E+01 0.199E-01 RMM: 2 -0.321291398445E+03 -0.16398E-01 -0.13507E-01 4973 0.865E-01 0.825E-01 RMM: 3 -0.321286470937E+03 0.49275E-02 -0.14628E-02 5922 0.235E-01 0.149E-01 RMM: 4 -0.321286217021E+03 0.25392E-03 -0.72862E-04 4899 0.599E-02 0.124E-01 RMM: 5 -0.321286116978E+03 0.10004E-03 -0.10597E-04 3745 0.278E-02 0.771E-02 RMM: 6 -0.321286085402E+03 0.31576E-04 -0.30067E-05 2695 0.166E-02 0.460E-02 RMM: 7 -0.321286083014E+03 0.23879E-05 -0.30757E-05 2604 0.168E-02 2361 T= 7635. E= 0.67482481E+03 F= 0.63498291E+03 E0= 0.66363506E+03 EK= 0.62173E+02 SP= -.23E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321080011346E+03 0.20607E+00 -0.13675E-01 7808 0.258E+01 0.195E-01 RMM: 2 -0.321095587511E+03 -0.15576E-01 -0.12628E-01 4935 0.848E-01 0.819E-01 RMM: 3 -0.321090868042E+03 0.47195E-02 -0.14047E-02 5902 0.230E-01 0.172E-01 RMM: 4 -0.321090555641E+03 0.31240E-03 -0.72860E-04 4789 0.620E-02 0.114E-01 RMM: 5 -0.321090484870E+03 0.70770E-04 -0.11608E-04 3729 0.281E-02 0.851E-02 RMM: 6 -0.321090443481E+03 0.41390E-04 -0.32612E-05 2822 0.177E-02 0.412E-02 RMM: 7 -0.321090444886E+03 -0.14057E-05 -0.20231E-05 2519 0.139E-02 2362 T= 7544. E= 0.67483109E+03 F= 0.63517854E+03 E0= 0.66380391E+03 EK= 0.61433E+02 SP= -.22E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321092706223E+03 -0.22627E-02 -0.13866E-01 7672 0.256E+01 0.197E-01 RMM: 2 -0.321109328630E+03 -0.16622E-01 -0.13504E-01 4849 0.883E-01 0.836E-01 RMM: 3 -0.321104435719E+03 0.48929E-02 -0.15654E-02 5906 0.242E-01 0.153E-01 RMM: 4 -0.321104139634E+03 0.29609E-03 -0.76794E-04 4873 0.626E-02 0.117E-01 RMM: 5 -0.321104049874E+03 0.89760E-04 -0.11415E-04 3789 0.294E-02 0.684E-02 RMM: 6 -0.321104025548E+03 0.24326E-04 -0.28440E-05 2595 0.159E-02 0.442E-02 RMM: 7 -0.321104025774E+03 -0.22672E-06 -0.25887E-05 2550 0.157E-02 2363 T= 7474. E= 0.67483526E+03 F= 0.63516496E+03 E0= 0.66376321E+03 EK= 0.60861E+02 SP= -.22E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321377437226E+03 -0.27341E+00 -0.13538E-01 7824 0.254E+01 0.190E-01 RMM: 2 -0.321392964233E+03 -0.15527E-01 -0.12078E-01 4945 0.830E-01 0.845E-01 RMM: 3 -0.321387921396E+03 0.50428E-02 -0.13387E-02 5845 0.225E-01 0.176E-01 RMM: 4 -0.321387620223E+03 0.30117E-03 -0.72019E-04 4734 0.627E-02 0.111E-01 RMM: 5 -0.321387548848E+03 0.71375E-04 -0.11267E-04 3725 0.273E-02 0.817E-02 RMM: 6 -0.321387511893E+03 0.36955E-04 -0.30573E-05 2768 0.172E-02 0.415E-02 RMM: 7 -0.321387512901E+03 -0.10085E-05 -0.18770E-05 2521 0.132E-02 2364 T= 7431. E= 0.67483701E+03 F= 0.63488148E+03 E0= 0.66345419E+03 EK= 0.60517E+02 SP= -.21E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321952588559E+03 -0.56508E+00 -0.13666E-01 7896 0.253E+01 0.192E-01 RMM: 2 -0.321968592795E+03 -0.16004E-01 -0.13313E-01 4900 0.865E-01 0.788E-01 RMM: 3 -0.321964198743E+03 0.43941E-02 -0.15055E-02 5925 0.236E-01 0.157E-01 RMM: 4 -0.321963903614E+03 0.29513E-03 -0.74527E-04 4850 0.619E-02 0.119E-01 RMM: 5 -0.321963812839E+03 0.90775E-04 -0.11391E-04 3773 0.287E-02 0.724E-02 RMM: 6 -0.321963785581E+03 0.27257E-04 -0.27902E-05 2601 0.160E-02 0.428E-02 RMM: 7 -0.321963785401E+03 0.18040E-06 -0.20718E-05 2532 0.139E-02 2365 T= 7420. E= 0.67483599E+03 F= 0.63430520E+03 E0= 0.66285633E+03 EK= 0.60425E+02 SP= -.21E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322803292881E+03 -0.83951E+00 -0.13277E-01 7968 0.253E+01 0.185E-01 RMM: 2 -0.322819555287E+03 -0.16262E-01 -0.13354E-01 4981 0.849E-01 0.791E-01 RMM: 3 -0.322814947317E+03 0.46080E-02 -0.14471E-02 5977 0.227E-01 0.155E-01 RMM: 4 -0.322814664745E+03 0.28257E-03 -0.69784E-04 4720 0.625E-02 0.128E-01 RMM: 5 -0.322814556722E+03 0.10802E-03 -0.11050E-04 3702 0.281E-02 0.749E-02 RMM: 6 -0.322814529757E+03 0.26966E-04 -0.27627E-05 2636 0.161E-02 0.466E-02 RMM: 7 -0.322814527662E+03 0.20948E-05 -0.22306E-05 2560 0.140E-02 2366 T= 7437. E= 0.67483225E+03 F= 0.63345446E+03 E0= 0.66198886E+03 EK= 0.60564E+02 SP= -.20E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323874317081E+03 -0.10598E+01 -0.13422E-01 8072 0.253E+01 0.186E-01 RMM: 2 -0.323890668113E+03 -0.16351E-01 -0.14210E-01 5095 0.857E-01 0.729E-01 RMM: 3 -0.323886653004E+03 0.40151E-02 -0.14593E-02 6041 0.226E-01 0.156E-01 RMM: 4 -0.323886364449E+03 0.28856E-03 -0.70679E-04 4776 0.614E-02 0.131E-01 RMM: 5 -0.323886254389E+03 0.11006E-03 -0.11393E-04 3719 0.281E-02 0.753E-02 RMM: 6 -0.323886228023E+03 0.26366E-04 -0.26100E-05 2592 0.157E-02 0.465E-02 RMM: 7 -0.323886226255E+03 0.17676E-05 -0.20572E-05 2547 0.134E-02 2367 T= 7476. E= 0.67482621E+03 F= 0.63238276E+03 E0= 0.66090672E+03 EK= 0.60878E+02 SP= -.19E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325084555363E+03 -0.11983E+01 -0.14715E-01 8240 0.253E+01 0.183E-01 RMM: 2 -0.325102780459E+03 -0.18225E-01 -0.15770E-01 5097 0.890E-01 0.748E-01 RMM: 3 -0.325098295456E+03 0.44850E-02 -0.15977E-02 6152 0.230E-01 0.143E-01 RMM: 4 -0.325097994935E+03 0.30052E-03 -0.70345E-04 4727 0.632E-02 0.144E-01 RMM: 5 -0.325097856721E+03 0.13821E-03 -0.11549E-04 3737 0.289E-02 0.723E-02 RMM: 6 -0.325097834939E+03 0.21782E-04 -0.25921E-05 2603 0.154E-02 0.494E-02 RMM: 7 -0.325097830641E+03 0.42972E-05 -0.24576E-05 2608 0.142E-02 2368 T= 7526. E= 0.67481894E+03 F= 0.63117116E+03 E0= 0.65969138E+03 EK= 0.61283E+02 SP= -.19E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326336961619E+03 -0.12391E+01 -0.16125E-01 8488 0.254E+01 0.185E-01 RMM: 2 -0.326356388391E+03 -0.19427E-01 -0.17405E-01 5114 0.926E-01 0.711E-01 RMM: 3 -0.326352160411E+03 0.42280E-02 -0.17288E-02 6172 0.237E-01 0.154E-01 RMM: 4 -0.326351793694E+03 0.36672E-03 -0.75583E-04 4743 0.648E-02 0.145E-01 RMM: 5 -0.326351656122E+03 0.13757E-03 -0.12608E-04 3799 0.297E-02 0.753E-02 RMM: 6 -0.326351631341E+03 0.24781E-04 -0.27577E-05 2663 0.160E-02 0.489E-02 RMM: 7 -0.326351628472E+03 0.28694E-05 -0.22692E-05 2582 0.138E-02 2369 T= 7574. E= 0.67481114E+03 F= 0.62991736E+03 E0= 0.65844146E+03 EK= 0.61679E+02 SP= -.18E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327526851861E+03 -0.11752E+01 -0.17893E-01 8672 0.255E+01 0.184E-01 RMM: 2 -0.327548449240E+03 -0.21597E-01 -0.19515E-01 5095 0.979E-01 0.710E-01 RMM: 3 -0.327544134009E+03 0.43152E-02 -0.19724E-02 6227 0.249E-01 0.142E-01 RMM: 4 -0.327543743286E+03 0.39072E-03 -0.82706E-04 4708 0.683E-02 0.148E-01 RMM: 5 -0.327543601174E+03 0.14211E-03 -0.13821E-04 3849 0.311E-02 0.723E-02 RMM: 6 -0.327543580906E+03 0.20269E-04 -0.28900E-05 2643 0.157E-02 0.508E-02 RMM: 7 -0.327543575733E+03 0.51728E-05 -0.23926E-05 2596 0.144E-02 2370 T= 7609. E= 0.67480369E+03 F= 0.62872541E+03 E0= 0.65726122E+03 EK= 0.61961E+02 SP= -.17E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328557518552E+03 -0.10139E+01 -0.19151E-01 8800 0.255E+01 0.182E-01 RMM: 2 -0.328581411455E+03 -0.23893E-01 -0.21442E-01 5126 0.101E+00 0.741E-01 RMM: 3 -0.328576628093E+03 0.47834E-02 -0.20759E-02 6236 0.257E-01 0.163E-01 RMM: 4 -0.328576156464E+03 0.47163E-03 -0.86535E-04 4751 0.699E-02 0.139E-01 RMM: 5 -0.328576027999E+03 0.12846E-03 -0.13777E-04 3855 0.309E-02 0.730E-02 RMM: 6 -0.328576006915E+03 0.21085E-04 -0.28177E-05 2642 0.158E-02 0.509E-02 RMM: 7 -0.328576003847E+03 0.30672E-05 -0.25635E-05 2601 0.147E-02 2371 T= 7617. E= 0.67479651E+03 F= 0.62769299E+03 E0= 0.65624877E+03 EK= 0.62031E+02 SP= -.16E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329343787484E+03 -0.76778E+00 -0.22034E-01 8680 0.255E+01 0.180E-01 RMM: 2 -0.329370074424E+03 -0.26287E-01 -0.24456E-01 5161 0.108E+00 0.679E-01 RMM: 3 -0.329365459569E+03 0.46149E-02 -0.21972E-02 6303 0.267E-01 0.147E-01 RMM: 4 -0.329365007156E+03 0.45241E-03 -0.87446E-04 4793 0.698E-02 0.136E-01 RMM: 5 -0.329364895410E+03 0.11175E-03 -0.13783E-04 3896 0.316E-02 0.769E-02 RMM: 6 -0.329364869374E+03 0.26036E-04 -0.30604E-05 2713 0.168E-02 0.488E-02 RMM: 7 -0.329364868678E+03 0.69516E-06 -0.20313E-05 2535 0.137E-02 2372 T= 7590. E= 0.67479086E+03 F= 0.62690412E+03 E0= 0.65548725E+03 EK= 0.61811E+02 SP= -.15E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329829105530E+03 -0.46424E+00 -0.22512E-01 8872 0.254E+01 0.177E-01 RMM: 2 -0.329854862335E+03 -0.25757E-01 -0.22972E-01 5245 0.103E+00 0.765E-01 RMM: 3 -0.329849260363E+03 0.56020E-02 -0.18486E-02 6106 0.256E-01 0.170E-01 RMM: 4 -0.329848841011E+03 0.41935E-03 -0.86604E-04 4828 0.680E-02 0.117E-01 RMM: 5 -0.329848755672E+03 0.85339E-04 -0.12427E-04 3833 0.300E-02 0.718E-02 RMM: 6 -0.329848735979E+03 0.19693E-04 -0.27104E-05 2587 0.154E-02 2373 T= 7521. E= 0.67478752E+03 F= 0.62642025E+03 E0= 0.65503623E+03 EK= 0.61246E+02 SP= -.15E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329976944640E+03 -0.12819E+00 -0.22272E-01 8816 0.253E+01 0.219E-01 RMM: 2 -0.330006298813E+03 -0.29354E-01 -0.21329E-01 5413 0.964E-01 0.115E+00 RMM: 3 -0.329995175312E+03 0.11124E-01 -0.16808E-02 5577 0.270E-01 0.225E-01 RMM: 4 -0.329994733331E+03 0.44198E-03 -0.12056E-03 4964 0.721E-02 0.100E-01 RMM: 5 -0.329994677718E+03 0.55612E-04 -0.14464E-04 4240 0.302E-02 0.810E-02 RMM: 6 -0.329994653430E+03 0.24288E-04 -0.28939E-05 2635 0.158E-02 0.667E-02 RMM: 7 -0.329994666189E+03 -0.12758E-04 -0.36690E-05 2862 0.181E-02 2374 T= 7406. E= 0.67478660E+03 F= 0.62627432E+03 E0= 0.65492658E+03 EK= 0.60313E+02 SP= -.14E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329789774769E+03 0.20488E+00 -0.21669E-01 8720 0.251E+01 0.265E-01 RMM: 2 -0.329819651989E+03 -0.29877E-01 -0.19661E-01 5303 0.929E-01 0.132E+00 RMM: 3 -0.329805956625E+03 0.13695E-01 -0.15069E-02 5525 0.270E-01 0.254E-01 RMM: 4 -0.329805539018E+03 0.41761E-03 -0.14760E-03 4895 0.835E-02 0.136E-01 RMM: 5 -0.329805501177E+03 0.37841E-04 -0.21555E-04 3926 0.359E-02 0.121E-01 RMM: 6 -0.329805407596E+03 0.93581E-04 -0.60670E-05 3334 0.227E-02 0.381E-02 RMM: 7 -0.329805410111E+03 -0.25150E-05 -0.18713E-05 2520 0.134E-02 2375 T= 7249. E= 0.67478803E+03 F= 0.62646358E+03 E0= 0.65515026E+03 EK= 0.59028E+02 SP= -.13E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329305236557E+03 0.50017E+00 -0.20830E-01 8832 0.248E+01 0.261E-01 RMM: 2 -0.329337014970E+03 -0.31778E-01 -0.20231E-01 5379 0.933E-01 0.140E+00 RMM: 3 -0.329321814565E+03 0.15200E-01 -0.15981E-02 5584 0.269E-01 0.245E-01 RMM: 4 -0.329321318816E+03 0.49575E-03 -0.13320E-03 4845 0.773E-02 0.119E-01 RMM: 5 -0.329321253711E+03 0.65104E-04 -0.18885E-04 3931 0.349E-02 0.960E-02 RMM: 6 -0.329321195831E+03 0.57881E-04 -0.45955E-05 3099 0.198E-02 0.502E-02 RMM: 7 -0.329321197964E+03 -0.21333E-05 -0.22108E-05 2546 0.144E-02 2376 T= 7054. E= 0.67479280E+03 F= 0.62694779E+03 E0= 0.65566522E+03 EK= 0.57446E+02 SP= -.12E+02 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328604794100E+03 0.71640E+00 -0.19780E-01 8816 0.244E+01 0.226E-01 RMM: 2 -0.328630319976E+03 -0.25526E-01 -0.19635E-01 5209 0.942E-01 0.103E+00 RMM: 3 -0.328621614950E+03 0.87050E-02 -0.17112E-02 5779 0.264E-01 0.220E-01 RMM: 4 -0.328621128041E+03 0.48691E-03 -0.11066E-03 4870 0.716E-02 0.102E-01 RMM: 5 -0.328621085523E+03 0.42519E-04 -0.15232E-04 3960 0.312E-02 0.874E-02 RMM: 6 -0.328621042830E+03 0.42692E-04 -0.35680E-05 2932 0.177E-02 0.459E-02 RMM: 7 -0.328621048192E+03 -0.53619E-05 -0.21090E-05 2536 0.145E-02 2377 T= 6835. E= 0.67479937E+03 F= 0.62764794E+03 E0= 0.65638901E+03 EK= 0.55659E+02 SP= -.11E+02 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327795335548E+03 0.82571E+00 -0.19359E-01 8640 0.240E+01 0.224E-01 RMM: 2 -0.327822044554E+03 -0.26709E-01 -0.20475E-01 5084 0.977E-01 0.105E+00 RMM: 3 -0.327813037742E+03 0.90068E-02 -0.19302E-02 5885 0.268E-01 0.214E-01 RMM: 4 -0.327812498404E+03 0.53934E-03 -0.11458E-03 4798 0.765E-02 0.127E-01 RMM: 5 -0.327812416925E+03 0.81479E-04 -0.17576E-04 3906 0.336E-02 0.905E-02 RMM: 6 -0.327812367565E+03 0.49360E-04 -0.37740E-05 2951 0.183E-02 0.461E-02 RMM: 7 -0.327812368902E+03 -0.13369E-05 -0.20798E-05 2541 0.141E-02 2378 T= 6605. E= 0.67480801E+03 F= 0.62845662E+03 E0= 0.65721506E+03 EK= 0.53788E+02 SP= -.96E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327004985760E+03 0.80738E+00 -0.17412E-01 8416 0.236E+01 0.227E-01 RMM: 2 -0.327030998539E+03 -0.26013E-01 -0.19660E-01 4984 0.975E-01 0.107E+00 RMM: 3 -0.327022120007E+03 0.88785E-02 -0.19828E-02 5840 0.273E-01 0.220E-01 RMM: 4 -0.327021557215E+03 0.56279E-03 -0.11426E-03 4959 0.730E-02 0.107E-01 RMM: 5 -0.327021505759E+03 0.51455E-04 -0.15707E-04 3927 0.316E-02 0.883E-02 RMM: 6 -0.327021463202E+03 0.42557E-04 -0.37679E-05 2968 0.182E-02 0.497E-02 RMM: 7 -0.327021468328E+03 -0.51262E-05 -0.22936E-05 2559 0.149E-02 2379 T= 6381. E= 0.67481645E+03 F= 0.62924752E+03 E0= 0.65801685E+03 EK= 0.51967E+02 SP= -.86E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326357289985E+03 0.66417E+00 -0.15374E-01 8272 0.232E+01 0.205E-01 RMM: 2 -0.326378836989E+03 -0.21547E-01 -0.16583E-01 5137 0.878E-01 0.953E-01 RMM: 3 -0.326371520047E+03 0.73169E-02 -0.15733E-02 5957 0.238E-01 0.195E-01 RMM: 4 -0.326371091547E+03 0.42850E-03 -0.91137E-04 4769 0.670E-02 0.118E-01 RMM: 5 -0.326371014041E+03 0.77506E-04 -0.13078E-04 3808 0.295E-02 0.811E-02 RMM: 6 -0.326370978462E+03 0.35579E-04 -0.28074E-05 2726 0.161E-02 0.465E-02 RMM: 7 -0.326370979052E+03 -0.59033E-06 -0.19028E-05 2541 0.131E-02 2380 T= 6180. E= 0.67482368E+03 F= 0.62989801E+03 E0= 0.65867543E+03 EK= 0.50323E+02 SP= -.75E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325949521544E+03 0.42146E+00 -0.13357E-01 8336 0.229E+01 0.208E-01 RMM: 2 -0.325968456266E+03 -0.18935E-01 -0.13498E-01 4953 0.807E-01 0.998E-01 RMM: 3 -0.325960957353E+03 0.74989E-02 -0.13950E-02 5750 0.238E-01 0.208E-01 RMM: 4 -0.325960545777E+03 0.41158E-03 -0.92496E-04 4923 0.639E-02 0.929E-02 RMM: 5 -0.325960503841E+03 0.41935E-04 -0.12054E-04 3754 0.284E-02 0.811E-02 RMM: 6 -0.325960467826E+03 0.36015E-04 -0.30460E-05 2805 0.168E-02 0.460E-02 RMM: 7 -0.325960468364E+03 -0.53819E-06 -0.18980E-05 2534 0.135E-02 2381 T= 6012. E= 0.67482780E+03 F= 0.63030852E+03 E0= 0.65909288E+03 EK= 0.48957E+02 SP= -.65E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325837521357E+03 0.12295E+00 -0.11554E-01 8208 0.227E+01 0.183E-01 RMM: 2 -0.325851708962E+03 -0.14188E-01 -0.10453E-01 5035 0.715E-01 0.843E-01 RMM: 3 -0.325846283144E+03 0.54258E-02 -0.10660E-02 5823 0.206E-01 0.166E-01 RMM: 4 -0.325846023570E+03 0.25957E-03 -0.66219E-04 4798 0.547E-02 0.911E-02 RMM: 5 -0.325845974802E+03 0.48768E-04 -0.83680E-05 3610 0.241E-02 0.700E-02 RMM: 6 -0.325845950490E+03 0.24312E-04 -0.21030E-05 2553 0.140E-02 0.436E-02 RMM: 7 -0.325845950458E+03 0.32021E-07 -0.18127E-05 2540 0.126E-02 2382 T= 5885. E= 0.67482832E+03 F= 0.63042304E+03 E0= 0.65921679E+03 EK= 0.47923E+02 SP= -.55E+01 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326023958143E+03 -0.17801E+00 -0.11001E-01 8112 0.226E+01 0.186E-01 RMM: 2 -0.326036679179E+03 -0.12721E-01 -0.89694E-02 4989 0.679E-01 0.856E-01 RMM: 3 -0.326031345888E+03 0.53333E-02 -0.95721E-03 5643 0.202E-01 0.186E-01 RMM: 4 -0.326031059749E+03 0.28614E-03 -0.69670E-04 4887 0.546E-02 0.758E-02 RMM: 5 -0.326031042202E+03 0.17548E-04 -0.92849E-05 3634 0.255E-02 2383 T= 5799. E= 0.67482637E+03 F= 0.63023795E+03 E0= 0.65904478E+03 EK= 0.47225E+02 SP= -.45E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326462606008E+03 -0.43155E+00 -0.10631E-01 8032 0.226E+01 0.123E-01 RMM: 2 -0.326471675889E+03 -0.90699E-02 -0.80970E-02 4986 0.646E-01 0.514E-01 RMM: 3 -0.326469582892E+03 0.20930E-02 -0.83841E-03 6094 0.169E-01 0.121E-01 RMM: 4 -0.326469373414E+03 0.20948E-03 -0.32453E-04 4509 0.413E-02 0.824E-02 RMM: 5 -0.326469331844E+03 0.41570E-04 -0.40022E-05 2882 0.198E-02 0.682E-02 RMM: 6 -0.326469322809E+03 0.90342E-05 -0.27231E-05 2592 0.157E-02 2384 T= 5748. E= 0.67482209E+03 F= 0.62979967E+03 E0= 0.65862324E+03 EK= 0.46811E+02 SP= -.36E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327074473025E+03 -0.60514E+00 -0.10032E-01 7664 0.226E+01 0.330E-01 RMM: 2 -0.327106422126E+03 -0.31949E-01 -0.75062E-02 4929 0.664E-01 0.197E+00 RMM: 3 -0.327079768797E+03 0.26653E-01 -0.13179E-02 5357 0.284E-01 0.322E-01 RMM: 4 -0.327079046165E+03 0.72263E-03 -0.15470E-03 4732 0.796E-02 0.915E-02 RMM: 5 -0.327079089510E+03 -0.43345E-04 -0.22019E-04 3889 0.376E-02 0.126E-01 RMM: 6 -0.327078985822E+03 0.10369E-03 -0.58632E-05 3323 0.226E-02 0.402E-02 RMM: 7 -0.327078979922E+03 0.59003E-05 -0.17236E-05 2517 0.131E-02 2385 T= 5722. E= 0.67481577E+03 F= 0.62919001E+03 E0= 0.65803432E+03 EK= 0.46598E+02 SP= -.26E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327756166909E+03 -0.67718E+00 -0.10208E-01 7648 0.226E+01 0.338E-01 RMM: 2 -0.327791878054E+03 -0.35711E-01 -0.79077E-02 5170 0.686E-01 0.211E+00 RMM: 3 -0.327761556228E+03 0.30322E-01 -0.13121E-02 5352 0.284E-01 0.286E-01 RMM: 4 -0.327760973162E+03 0.58307E-03 -0.15283E-03 4707 0.795E-02 0.113E-01 RMM: 5 -0.327760950043E+03 0.23119E-04 -0.19886E-04 3886 0.358E-02 0.114E-01 RMM: 6 -0.327760859383E+03 0.90660E-04 -0.56129E-05 3286 0.223E-02 0.397E-02 RMM: 7 -0.327760856266E+03 0.31173E-05 -0.18520E-05 2528 0.130E-02 2386 T= 5708. E= 0.67480944E+03 F= 0.62850813E+03 E0= 0.65737538E+03 EK= 0.46485E+02 SP= -.17E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328413720717E+03 -0.65286E+00 -0.10369E-01 7616 0.226E+01 0.232E-01 RMM: 2 -0.328430592064E+03 -0.16871E-01 -0.68463E-02 5132 0.615E-01 0.129E+00 RMM: 3 -0.328418940114E+03 0.11652E-01 -0.83823E-03 5391 0.210E-01 0.217E-01 RMM: 4 -0.328418622276E+03 0.31784E-03 -0.90652E-04 4674 0.616E-02 0.840E-02 RMM: 5 -0.328418612882E+03 0.93943E-05 -0.12050E-04 3841 0.280E-02 2387 T= 5695. E= 0.67480451E+03 F= 0.62785038E+03 E0= 0.65674083E+03 EK= 0.46379E+02 SP= -.88E+00 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328969641956E+03 -0.55102E+00 -0.10096E-01 7704 0.226E+01 0.128E-01 RMM: 2 -0.328978759893E+03 -0.91179E-02 -0.78107E-02 5076 0.632E-01 0.569E-01 RMM: 3 -0.328976394266E+03 0.23656E-02 -0.81056E-03 6051 0.160E-01 0.130E-01 RMM: 4 -0.328976164399E+03 0.22987E-03 -0.36037E-04 4282 0.442E-02 0.910E-02 RMM: 5 -0.328976110638E+03 0.53761E-04 -0.51485E-05 3174 0.217E-02 0.670E-02 RMM: 6 -0.328976098457E+03 0.12181E-04 -0.23447E-05 2531 0.140E-02 2388 T= 5674. E= 0.67480136E+03 F= 0.62729289E+03 E0= 0.65620602E+03 EK= 0.46203E+02 SP= -.42E-01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329380324323E+03 -0.40421E+00 -0.10449E-01 7600 0.225E+01 0.282E-01 RMM: 2 -0.329403727848E+03 -0.23404E-01 -0.95306E-02 4931 0.717E-01 0.153E+00 RMM: 3 -0.329387667115E+03 0.16061E-01 -0.13134E-02 5397 0.258E-01 0.210E-01 RMM: 4 -0.329387384128E+03 0.28299E-03 -0.13764E-03 4947 0.687E-02 0.108E-01 RMM: 5 -0.329387347049E+03 0.37079E-04 -0.15799E-04 3894 0.319E-02 0.959E-02 RMM: 6 -0.329387287975E+03 0.59074E-04 -0.37376E-05 3012 0.183E-02 0.337E-02 RMM: 7 -0.329387287613E+03 0.36240E-06 -0.13422E-05 2494 0.117E-02 2389 T= 5638. E= 0.67479990E+03 F= 0.62688170E+03 E0= 0.65581565E+03 EK= 0.45914E+02 SP= 0.76E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329628488558E+03 -0.24120E+00 -0.10566E-01 7704 0.224E+01 0.292E-01 RMM: 2 -0.329653340984E+03 -0.24852E-01 -0.97124E-02 4988 0.733E-01 0.161E+00 RMM: 3 -0.329635872517E+03 0.17468E-01 -0.13116E-02 5386 0.265E-01 0.278E-01 RMM: 4 -0.329635349856E+03 0.52266E-03 -0.14771E-03 4837 0.772E-02 0.116E-01 RMM: 5 -0.329635308757E+03 0.41099E-04 -0.20122E-04 3888 0.361E-02 0.104E-01 RMM: 6 -0.329635228415E+03 0.80342E-04 -0.52413E-05 3230 0.210E-02 0.415E-02 RMM: 7 -0.329635224999E+03 0.34157E-05 -0.18153E-05 2520 0.128E-02 2390 T= 5587. E= 0.67480050E+03 F= 0.62663376E+03 E0= 0.65558415E+03 EK= 0.45498E+02 SP= 0.15E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329721684298E+03 -0.86456E-01 -0.11673E-01 7928 0.222E+01 0.214E-01 RMM: 2 -0.329740795891E+03 -0.19112E-01 -0.10334E-01 4845 0.737E-01 0.122E+00 RMM: 3 -0.329730319332E+03 0.10477E-01 -0.12107E-02 5517 0.228E-01 0.205E-01 RMM: 4 -0.329729967097E+03 0.35223E-03 -0.10084E-03 4889 0.632E-02 0.780E-02 RMM: 5 -0.329729939328E+03 0.27769E-04 -0.12104E-04 3880 0.275E-02 0.685E-02 RMM: 6 -0.329729910174E+03 0.29154E-04 -0.23017E-05 2565 0.140E-02 0.373E-02 RMM: 7 -0.329729912409E+03 -0.22349E-05 -0.14467E-05 2502 0.120E-02 2391 T= 5522. E= 0.67480209E+03 F= 0.62653908E+03 E0= 0.65550076E+03 EK= 0.44966E+02 SP= 0.23E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329694629635E+03 0.35281E-01 -0.10836E-01 7888 0.220E+01 0.181E-01 RMM: 2 -0.329707865461E+03 -0.13236E-01 -0.88132E-02 4884 0.682E-01 0.924E-01 RMM: 3 -0.329701917195E+03 0.59483E-02 -0.98647E-03 5718 0.196E-01 0.192E-01 RMM: 4 -0.329701586336E+03 0.33086E-03 -0.71427E-04 4703 0.591E-02 0.862E-02 RMM: 5 -0.329701553500E+03 0.32836E-04 -0.10514E-04 3737 0.264E-02 0.716E-02 RMM: 6 -0.329701519896E+03 0.33604E-04 -0.24804E-05 2611 0.153E-02 0.334E-02 RMM: 7 -0.329701518465E+03 0.14311E-05 -0.14506E-05 2487 0.117E-02 2392 T= 5446. E= 0.67480490E+03 F= 0.62656747E+03 E0= 0.65553357E+03 EK= 0.44351E+02 SP= 0.30E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329589962938E+03 0.11156E+00 -0.10610E-01 7944 0.218E+01 0.143E-01 RMM: 2 -0.329600026810E+03 -0.10064E-01 -0.79797E-02 5008 0.632E-01 0.676E-01 RMM: 3 -0.329596629140E+03 0.33977E-02 -0.82922E-03 5951 0.170E-01 0.134E-01 RMM: 4 -0.329596415146E+03 0.21399E-03 -0.44776E-04 4436 0.480E-02 0.844E-02 RMM: 5 -0.329596369361E+03 0.45785E-04 -0.60406E-05 3341 0.223E-02 0.573E-02 RMM: 6 -0.329596353357E+03 0.16004E-04 -0.19701E-05 2522 0.135E-02 2393 T= 5367. E= 0.67480805E+03 F= 0.62667264E+03 E0= 0.65563539E+03 EK= 0.43702E+02 SP= 0.36E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329461863555E+03 0.13451E+00 -0.10355E-01 8040 0.215E+01 0.193E-01 RMM: 2 -0.329475951571E+03 -0.14088E-01 -0.84553E-02 4903 0.670E-01 0.100E+00 RMM: 3 -0.329468777719E+03 0.71739E-02 -0.96378E-03 5561 0.205E-01 0.183E-01 RMM: 4 -0.329468498439E+03 0.27928E-03 -0.73103E-04 4995 0.540E-02 0.687E-02 RMM: 5 -0.329468469039E+03 0.29401E-04 -0.75699E-05 3547 0.233E-02 0.639E-02 RMM: 6 -0.329468451747E+03 0.17291E-04 -0.20775E-05 2532 0.133E-02 2394 T= 5289. E= 0.67481146E+03 F= 0.62680054E+03 E0= 0.65575200E+03 EK= 0.43074E+02 SP= 0.42E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329370711411E+03 0.97758E-01 -0.98962E-02 7992 0.213E+01 0.296E-01 RMM: 2 -0.329396646932E+03 -0.25936E-01 -0.79193E-02 4970 0.665E-01 0.171E+00 RMM: 3 -0.329376663321E+03 0.19984E-01 -0.12552E-02 5380 0.267E-01 0.272E-01 RMM: 4 -0.329376119642E+03 0.54368E-03 -0.13499E-03 4768 0.726E-02 0.847E-02 RMM: 5 -0.329376098394E+03 0.21248E-04 -0.14022E-04 3898 0.297E-02 0.844E-02 RMM: 6 -0.329376054966E+03 0.43428E-04 -0.26715E-05 2605 0.154E-02 0.464E-02 RMM: 7 -0.329376061965E+03 -0.69984E-05 -0.24926E-05 2604 0.156E-02 2395 T= 5222. E= 0.67481489E+03 F= 0.62689293E+03 E0= 0.65582597E+03 EK= 0.42526E+02 SP= 0.48E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329370744756E+03 0.53102E-02 -0.99794E-02 7904 0.212E+01 0.315E-01 RMM: 2 -0.329398847464E+03 -0.28103E-01 -0.83642E-02 4895 0.687E-01 0.178E+00 RMM: 3 -0.329377034948E+03 0.21813E-01 -0.13324E-02 5382 0.276E-01 0.321E-01 RMM: 4 -0.329376320040E+03 0.71491E-03 -0.16254E-03 4795 0.854E-02 0.105E-01 RMM: 5 -0.329376418546E+03 -0.98506E-04 -0.26184E-04 3904 0.394E-02 0.159E-01 RMM: 6 -0.329376247245E+03 0.17130E-03 -0.82598E-05 3549 0.268E-02 0.364E-02 RMM: 7 -0.329376244025E+03 0.32202E-05 -0.17538E-05 2531 0.127E-02 2396 T= 5172. E= 0.67481792E+03 F= 0.62689275E+03 E0= 0.65580124E+03 EK= 0.42115E+02 SP= 0.53E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329508644569E+03 -0.13240E+00 -0.10438E-01 8056 0.210E+01 0.223E-01 RMM: 2 -0.329528056281E+03 -0.19412E-01 -0.87663E-02 4860 0.690E-01 0.133E+00 RMM: 3 -0.329515864013E+03 0.12192E-01 -0.10863E-02 5415 0.230E-01 0.203E-01 RMM: 4 -0.329515556488E+03 0.30752E-03 -0.10180E-03 4939 0.624E-02 0.796E-02 RMM: 5 -0.329515517348E+03 0.39140E-04 -0.10771E-04 3781 0.269E-02 0.691E-02 RMM: 6 -0.329515486610E+03 0.30738E-04 -0.24276E-05 2567 0.145E-02 0.418E-02 RMM: 7 -0.329515489655E+03 -0.30454E-05 -0.21668E-05 2558 0.141E-02 2397 T= 5143. E= 0.67482000E+03 F= 0.62675350E+03 E0= 0.65563355E+03 EK= 0.41885E+02 SP= 0.58E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329816871012E+03 -0.30138E+00 -0.10555E-01 8160 0.210E+01 0.166E-01 RMM: 2 -0.329829245496E+03 -0.12374E-01 -0.83495E-02 4746 0.679E-01 0.852E-01 RMM: 3 -0.329824065257E+03 0.51802E-02 -0.98110E-03 5614 0.201E-01 0.184E-01 RMM: 4 -0.329823770673E+03 0.29458E-03 -0.66060E-04 4793 0.552E-02 0.586E-02 RMM: 5 -0.329823770266E+03 0.40672E-06 -0.90143E-05 3661 0.252E-02 2398 T= 5141. E= 0.67482072E+03 F= 0.62644522E+03 E0= 0.65529452E+03 EK= 0.41865E+02 SP= 0.62E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330299259772E+03 -0.47549E+00 -0.10902E-01 7928 0.210E+01 0.120E-01 RMM: 2 -0.330310688523E+03 -0.11429E-01 -0.98517E-02 4744 0.725E-01 0.584E-01 RMM: 3 -0.330308025272E+03 0.26633E-02 -0.11230E-02 6167 0.190E-01 0.116E-01 RMM: 4 -0.330307767829E+03 0.25744E-03 -0.41734E-04 4631 0.488E-02 0.819E-02 RMM: 5 -0.330307725780E+03 0.42049E-04 -0.51598E-05 3073 0.228E-02 0.599E-02 RMM: 6 -0.330307721826E+03 0.39539E-05 -0.27790E-05 2579 0.157E-02 2399 T= 5165. E= 0.67481938E+03 F= 0.62596127E+03 E0= 0.65477901E+03 EK= 0.42059E+02 SP= 0.66E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330938888142E+03 -0.63116E+00 -0.99878E-02 7968 0.211E+01 0.255E-01 RMM: 2 -0.330961831311E+03 -0.22943E-01 -0.83001E-02 4730 0.681E-01 0.154E+00 RMM: 3 -0.330945344472E+03 0.16487E-01 -0.11394E-02 5381 0.247E-01 0.218E-01 RMM: 4 -0.330945021778E+03 0.32269E-03 -0.11919E-03 4832 0.668E-02 0.796E-02 RMM: 5 -0.330945027924E+03 -0.61456E-05 -0.14474E-04 3829 0.316E-02 2400 T= 5212. E= 0.67481620E+03 F= 0.62532396E+03 E0= 0.65411125E+03 EK= 0.42443E+02 SP= 0.69E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331677561785E+03 -0.73254E+00 -0.99434E-02 7992 0.213E+01 0.258E-01 RMM: 2 -0.331703576878E+03 -0.26015E-01 -0.87212E-02 4959 0.681E-01 0.165E+00 RMM: 3 -0.331684353433E+03 0.19223E-01 -0.11853E-02 5378 0.253E-01 0.224E-01 RMM: 4 -0.331684022694E+03 0.33074E-03 -0.12403E-03 4943 0.673E-02 0.940E-02 RMM: 5 -0.331683967291E+03 0.55403E-04 -0.12534E-04 3820 0.296E-02 0.789E-02 RMM: 6 -0.331683933934E+03 0.33357E-04 -0.30793E-05 2706 0.166E-02 0.498E-02 RMM: 7 -0.331683946597E+03 -0.12664E-04 -0.30872E-05 2657 0.160E-02 2401 T= 5276. E= 0.67481182E+03 F= 0.62458504E+03 E0= 0.65334355E+03 EK= 0.42965E+02 SP= 0.71E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332443066108E+03 -0.75913E+00 -0.10535E-01 7896 0.215E+01 0.190E-01 RMM: 2 -0.332458640360E+03 -0.15574E-01 -0.97830E-02 4689 0.729E-01 0.102E+00 RMM: 3 -0.332451250785E+03 0.73896E-02 -0.11106E-02 5584 0.214E-01 0.163E-01 RMM: 4 -0.332451027310E+03 0.22347E-03 -0.80655E-04 4772 0.601E-02 0.967E-02 RMM: 5 -0.332450990363E+03 0.36946E-04 -0.11699E-04 3782 0.292E-02 0.689E-02 RMM: 6 -0.332450959119E+03 0.31245E-04 -0.27927E-05 2720 0.160E-02 0.219E-02 RMM: 7 -0.332450961344E+03 -0.22256E-05 -0.10953E-05 2478 0.111E-02 2402 T= 5348. E= 0.67480585E+03 F= 0.62381803E+03 E0= 0.65255040E+03 EK= 0.43549E+02 SP= 0.74E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333153068051E+03 -0.70211E+00 -0.10320E-01 8208 0.218E+01 0.153E-01 RMM: 2 -0.333165208430E+03 -0.12140E-01 -0.97837E-02 4790 0.722E-01 0.711E-01 RMM: 3 -0.333161472322E+03 0.37361E-02 -0.11108E-02 5929 0.196E-01 0.126E-01 RMM: 4 -0.333161225550E+03 0.24677E-03 -0.52170E-04 4707 0.520E-02 0.943E-02 RMM: 5 -0.333161158391E+03 0.67159E-04 -0.74806E-05 3534 0.252E-02 0.562E-02 RMM: 6 -0.333161145995E+03 0.12395E-04 -0.21305E-05 2521 0.134E-02 2403 T= 5417. E= 0.67480006E+03 F= 0.62310784E+03 E0= 0.65181604E+03 EK= 0.44111E+02 SP= 0.75E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333726493790E+03 -0.56534E+00 -0.10729E-01 7976 0.220E+01 0.155E-01 RMM: 2 -0.333740845179E+03 -0.14351E-01 -0.10958E-01 4784 0.751E-01 0.798E-01 RMM: 3 -0.333736035512E+03 0.48097E-02 -0.12305E-02 5863 0.204E-01 0.143E-01 RMM: 4 -0.333735737758E+03 0.29775E-03 -0.58614E-04 4979 0.522E-02 0.776E-02 RMM: 5 -0.333735703626E+03 0.34132E-04 -0.66290E-05 3295 0.240E-02 0.621E-02 RMM: 6 -0.333735693413E+03 0.10212E-04 -0.25039E-05 2548 0.150E-02 2404 T= 5473. E= 0.67479483E+03 F= 0.62253330E+03 E0= 0.65122133E+03 EK= 0.44570E+02 SP= 0.77E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334105593452E+03 -0.36989E+00 -0.10341E-01 8376 0.222E+01 0.350E-01 RMM: 2 -0.334137923281E+03 -0.32330E-01 -0.10610E-01 4798 0.779E-01 0.187E+00 RMM: 3 -0.334113401395E+03 0.24522E-01 -0.16746E-02 5379 0.309E-01 0.320E-01 RMM: 4 -0.334112650022E+03 0.75137E-03 -0.18714E-03 4973 0.880E-02 0.853E-02 RMM: 5 -0.334112653814E+03 -0.37924E-05 -0.21965E-04 3978 0.331E-02 0.105E-01 RMM: 6 -0.334112583781E+03 0.70033E-04 -0.42553E-05 3064 0.197E-02 0.400E-02 RMM: 7 -0.334112587011E+03 -0.32295E-05 -0.18864E-05 2523 0.132E-02 2405 T= 5510. E= 0.67479222E+03 F= 0.62215640E+03 E0= 0.65082814E+03 EK= 0.44867E+02 SP= 0.78E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334255203346E+03 -0.14262E+00 -0.10243E-01 8064 0.223E+01 0.267E-01 RMM: 2 -0.334279777424E+03 -0.24574E-01 -0.10766E-01 4860 0.734E-01 0.147E+00 RMM: 3 -0.334263929317E+03 0.15848E-01 -0.13795E-02 5407 0.263E-01 0.263E-01 RMM: 4 -0.334263445660E+03 0.48366E-03 -0.14453E-03 4798 0.764E-02 0.105E-01 RMM: 5 -0.334263430749E+03 0.14910E-04 -0.18556E-04 3904 0.345E-02 2406 T= 5523. E= 0.67479215E+03 F= 0.62200556E+03 E0= 0.65066560E+03 EK= 0.44972E+02 SP= 0.78E+01 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334190984588E+03 0.72461E-01 -0.10777E-01 8208 0.223E+01 0.174E-01 RMM: 2 -0.334205213583E+03 -0.14229E-01 -0.98590E-02 4992 0.700E-01 0.894E-01 RMM: 3 -0.334199245956E+03 0.59676E-02 -0.10380E-02 5645 0.207E-01 0.162E-01 RMM: 4 -0.334199006269E+03 0.23969E-03 -0.72164E-04 5531 0.498E-02 0.820E-02 RMM: 5 -0.334198955924E+03 0.50345E-04 -0.55666E-05 3055 0.233E-02 0.714E-02 RMM: 6 -0.334198940648E+03 0.15276E-04 -0.32903E-05 2735 0.169E-02 2407 T= 5513. E= 0.67479539E+03 F= 0.62207005E+03 E0= 0.65072254E+03 EK= 0.44897E+02 SP= 0.78E+01 SK= 0.11E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.333967000159E+03 0.23196E+00 -0.10115E-01 8184 0.223E+01 0.332E-01 RMM: 2 -0.334005126289E+03 -0.38126E-01 -0.85985E-02 5044 0.667E-01 0.215E+00 RMM: 3 -0.333973074134E+03 0.32052E-01 -0.14564E-02 5355 0.294E-01 0.286E-01 RMM: 4 -0.333972503603E+03 0.57053E-03 -0.16332E-03 4848 0.782E-02 0.993E-02 RMM: 5 -0.333972511078E+03 -0.74753E-05 -0.18551E-04 3889 0.351E-02 2408 T= 5488. E= 0.67480132E+03 F= 0.62229648E+03 E0= 0.65094442E+03 EK= 0.44694E+02 SP= 0.78E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333663485269E+03 0.30902E+00 -0.99964E-02 7976 0.222E+01 0.357E-01 RMM: 2 -0.333711678008E+03 -0.48193E-01 -0.10087E-01 5165 0.723E-01 0.244E+00 RMM: 3 -0.333670710630E+03 0.40967E-01 -0.16994E-02 5349 0.318E-01 0.291E-01 RMM: 4 -0.333670107694E+03 0.60294E-03 -0.18981E-03 4977 0.820E-02 0.110E-01 RMM: 5 -0.333670034866E+03 0.72828E-04 -0.17410E-04 3922 0.330E-02 0.948E-02 RMM: 6 -0.333669981011E+03 0.53855E-04 -0.40631E-05 2980 0.190E-02 0.555E-02 RMM: 7 -0.333669987851E+03 -0.68400E-05 -0.32198E-05 2699 0.169E-02 2409 T= 5458. E= 0.67480841E+03 F= 0.62259900E+03 E0= 0.65124465E+03 EK= 0.44449E+02 SP= 0.77E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333388830113E+03 0.28115E+00 -0.96930E-02 8096 0.220E+01 0.208E-01 RMM: 2 -0.333405269069E+03 -0.16439E-01 -0.75739E-02 5094 0.613E-01 0.121E+00 RMM: 3 -0.333394614936E+03 0.10654E-01 -0.79732E-03 5392 0.203E-01 0.187E-01 RMM: 4 -0.333394422671E+03 0.19226E-03 -0.86491E-04 4788 0.596E-02 0.103E-01 RMM: 5 -0.333394400703E+03 0.21968E-04 -0.11922E-04 3794 0.279E-02 0.915E-02 RMM: 6 -0.333394346276E+03 0.54428E-04 -0.33307E-05 2981 0.178E-02 0.242E-02 RMM: 7 -0.333394348089E+03 -0.18138E-05 -0.11044E-05 2481 0.104E-02 2410 T= 5436. E= 0.67481512E+03 F= 0.62287464E+03 E0= 0.65151632E+03 EK= 0.44264E+02 SP= 0.76E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333239031246E+03 0.15532E+00 -0.94196E-02 7800 0.219E+01 0.223E-01 RMM: 2 -0.333255104366E+03 -0.16073E-01 -0.81903E-02 5117 0.664E-01 0.118E+00 RMM: 3 -0.333245344056E+03 0.97603E-02 -0.93630E-03 5505 0.211E-01 0.172E-01 RMM: 4 -0.333245126087E+03 0.21797E-03 -0.81920E-04 4793 0.580E-02 0.900E-02 RMM: 5 -0.333245067551E+03 0.58535E-04 -0.98005E-05 3824 0.242E-02 0.733E-02 RMM: 6 -0.333245035805E+03 0.31746E-04 -0.21771E-05 2557 0.141E-02 0.405E-02 RMM: 7 -0.333245031248E+03 0.45573E-05 -0.16412E-05 2493 0.122E-02 2411 T= 5432. E= 0.67481996E+03 F= 0.62302396E+03 E0= 0.65165925E+03 EK= 0.44237E+02 SP= 0.75E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333291850457E+03 -0.46815E-01 -0.96475E-02 7896 0.219E+01 0.167E-01 RMM: 2 -0.333301627774E+03 -0.97773E-02 -0.68104E-02 5066 0.600E-01 0.775E-01 RMM: 3 -0.333297313223E+03 0.43146E-02 -0.70416E-03 5544 0.176E-01 0.152E-01 RMM: 4 -0.333297134140E+03 0.17908E-03 -0.53858E-04 4707 0.472E-02 0.653E-02 RMM: 5 -0.333297122677E+03 0.11463E-04 -0.65927E-05 3418 0.228E-02 2412 T= 5458. E= 0.67482318E+03 F= 0.62297187E+03 E0= 0.65159618E+03 EK= 0.44444E+02 SP= 0.73E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333587803646E+03 -0.29067E+00 -0.96067E-02 7664 0.219E+01 0.147E-01 RMM: 2 -0.333597616446E+03 -0.98128E-02 -0.75492E-02 5109 0.623E-01 0.695E-01 RMM: 3 -0.333594028367E+03 0.35881E-02 -0.74682E-03 5814 0.165E-01 0.130E-01 RMM: 4 -0.333593859164E+03 0.16920E-03 -0.40113E-04 4372 0.447E-02 0.922E-02 RMM: 5 -0.333593793270E+03 0.65894E-04 -0.55393E-05 3275 0.212E-02 0.610E-02 RMM: 6 -0.333593785445E+03 0.78247E-05 -0.26246E-05 2545 0.153E-02 2413 T= 5517. E= 0.67482387E+03 F= 0.62267520E+03 E0= 0.65128377E+03 EK= 0.44929E+02 SP= 0.71E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334135953603E+03 -0.54216E+00 -0.98140E-02 7632 0.220E+01 0.260E-01 RMM: 2 -0.334158090857E+03 -0.22137E-01 -0.90996E-02 4877 0.713E-01 0.147E+00 RMM: 3 -0.334143239111E+03 0.14852E-01 -0.11826E-02 5396 0.245E-01 0.269E-01 RMM: 4 -0.334142726954E+03 0.51216E-03 -0.12156E-03 4758 0.713E-02 0.767E-02 RMM: 5 -0.334142730535E+03 -0.35814E-05 -0.16906E-04 3886 0.322E-02 2414 T= 5612. E= 0.67482235E+03 F= 0.62212626E+03 E0= 0.65071485E+03 EK= 0.45698E+02 SP= 0.68E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334912708823E+03 -0.76998E+00 -0.96297E-02 7832 0.222E+01 0.259E-01 RMM: 2 -0.334936066298E+03 -0.23357E-01 -0.75106E-02 5209 0.645E-01 0.161E+00 RMM: 3 -0.334918372745E+03 0.17694E-01 -0.95427E-03 5356 0.230E-01 0.243E-01 RMM: 4 -0.334917967370E+03 0.40537E-03 -0.11123E-03 4670 0.699E-02 0.973E-02 RMM: 5 -0.334917916141E+03 0.51229E-04 -0.13243E-04 3896 0.295E-02 0.813E-02 RMM: 6 -0.334917878486E+03 0.37655E-04 -0.30241E-05 2733 0.168E-02 0.492E-02 RMM: 7 -0.334917887334E+03 -0.88479E-05 -0.32586E-05 2661 0.163E-02 2415 T= 5738. E= 0.67481910E+03 F= 0.62135110E+03 E0= 0.64991721E+03 EK= 0.46726E+02 SP= 0.66E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335860429609E+03 -0.94255E+00 -0.10336E-01 7888 0.225E+01 0.201E-01 RMM: 2 -0.335874295961E+03 -0.13866E-01 -0.83247E-02 4991 0.674E-01 0.100E+00 RMM: 3 -0.335867229532E+03 0.70664E-02 -0.93690E-03 5515 0.201E-01 0.191E-01 RMM: 4 -0.335866969887E+03 0.25964E-03 -0.77343E-04 4735 0.589E-02 0.918E-02 RMM: 5 -0.335866929878E+03 0.40009E-04 -0.11512E-04 3813 0.283E-02 0.703E-02 RMM: 6 -0.335866898342E+03 0.31537E-04 -0.26465E-05 2723 0.159E-02 0.252E-02 RMM: 7 -0.335866899839E+03 -0.14980E-05 -0.11045E-05 2479 0.105E-02 2416 T= 5889. E= 0.67481354E+03 F= 0.62040209E+03 E0= 0.64894386E+03 EK= 0.47958E+02 SP= 0.62E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336909434021E+03 -0.10425E+01 -0.10311E-01 7984 0.228E+01 0.149E-01 RMM: 2 -0.336918706215E+03 -0.92722E-02 -0.72591E-02 5158 0.622E-01 0.686E-01 RMM: 3 -0.336915372529E+03 0.33337E-02 -0.69708E-03 5892 0.160E-01 0.130E-01 RMM: 4 -0.336915205786E+03 0.16674E-03 -0.40588E-04 4293 0.469E-02 0.103E-01 RMM: 5 -0.336915120540E+03 0.85246E-04 -0.69114E-05 3443 0.248E-02 0.520E-02 RMM: 6 -0.336915108831E+03 0.11710E-04 -0.19000E-05 2522 0.124E-02 2417 T= 6056. E= 0.67480721E+03 F= 0.61935388E+03 E0= 0.64787069E+03 EK= 0.49317E+02 SP= 0.59E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337968061722E+03 -0.10529E+01 -0.10574E-01 7832 0.232E+01 0.165E-01 RMM: 2 -0.337979187234E+03 -0.11126E-01 -0.71191E-02 5060 0.628E-01 0.863E-01 RMM: 3 -0.337973937911E+03 0.52493E-02 -0.75841E-03 5684 0.177E-01 0.151E-01 RMM: 4 -0.337973729568E+03 0.20834E-03 -0.48997E-04 4544 0.473E-02 0.800E-02 RMM: 5 -0.337973686449E+03 0.43119E-04 -0.62501E-05 3400 0.231E-02 0.594E-02 RMM: 6 -0.337973672920E+03 0.13529E-04 -0.22197E-05 2537 0.139E-02 2418 T= 6227. E= 0.67480044E+03 F= 0.61829532E+03 E0= 0.64678967E+03 EK= 0.50711E+02 SP= 0.55E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338942765644E+03 -0.96908E+00 -0.10740E-01 7504 0.236E+01 0.286E-01 RMM: 2 -0.338965179417E+03 -0.22414E-01 -0.85163E-02 5044 0.709E-01 0.154E+00 RMM: 3 -0.338949186062E+03 0.15993E-01 -0.11684E-02 5374 0.255E-01 0.275E-01 RMM: 4 -0.338948675187E+03 0.51087E-03 -0.13364E-03 4683 0.753E-02 0.103E-01 RMM: 5 -0.338948635003E+03 0.40184E-04 -0.17107E-04 3878 0.339E-02 0.911E-02 RMM: 6 -0.338948578055E+03 0.56948E-04 -0.35657E-05 2900 0.182E-02 0.415E-02 RMM: 7 -0.338948576055E+03 0.20005E-05 -0.18184E-05 2502 0.135E-02 2419 T= 6391. E= 0.67479388E+03 F= 0.61732041E+03 E0= 0.64579508E+03 EK= 0.52042E+02 SP= 0.51E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339743883732E+03 -0.79531E+00 -0.11171E-01 7576 0.240E+01 0.270E-01 RMM: 2 -0.339764030126E+03 -0.20146E-01 -0.89041E-02 4993 0.723E-01 0.139E+00 RMM: 3 -0.339750851532E+03 0.13179E-01 -0.11846E-02 5407 0.252E-01 0.268E-01 RMM: 4 -0.339750380598E+03 0.47093E-03 -0.13072E-03 4708 0.757E-02 0.105E-01 RMM: 5 -0.339750357038E+03 0.23560E-04 -0.17980E-04 3877 0.342E-02 0.106E-01 RMM: 6 -0.339750280523E+03 0.76515E-04 -0.45242E-05 3112 0.203E-02 0.342E-02 RMM: 7 -0.339750280424E+03 0.99810E-07 -0.17440E-05 2517 0.128E-02 2420 T= 6535. E= 0.67478888E+03 F= 0.61651871E+03 E0= 0.64497772E+03 EK= 0.53213E+02 SP= 0.48E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340296855226E+03 -0.54657E+00 -0.11954E-01 7656 0.243E+01 0.184E-01 RMM: 2 -0.340312559301E+03 -0.15704E-01 -0.10751E-01 4849 0.778E-01 0.959E-01 RMM: 3 -0.340306170217E+03 0.63891E-02 -0.12484E-02 5751 0.215E-01 0.169E-01 RMM: 4 -0.340305853823E+03 0.31639E-03 -0.74071E-04 4713 0.608E-02 0.999E-02 RMM: 5 -0.340305783779E+03 0.70044E-04 -0.11096E-04 3777 0.289E-02 0.574E-02 RMM: 6 -0.340305764728E+03 0.19051E-04 -0.24882E-05 2559 0.144E-02 2421 T= 6649. E= 0.67478572E+03 F= 0.61596322E+03 E0= 0.64441119E+03 EK= 0.54147E+02 SP= 0.44E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340557080575E+03 -0.25130E+00 -0.11782E-01 7592 0.245E+01 0.201E-01 RMM: 2 -0.340573352463E+03 -0.16272E-01 -0.96854E-02 4928 0.748E-01 0.109E+00 RMM: 3 -0.340565235420E+03 0.81170E-02 -0.11244E-02 5590 0.218E-01 0.173E-01 RMM: 4 -0.340564958359E+03 0.27706E-03 -0.80484E-04 4793 0.595E-02 0.794E-02 RMM: 5 -0.340564909564E+03 0.48796E-04 -0.10033E-04 3870 0.258E-02 0.612E-02 RMM: 6 -0.340564890938E+03 0.18626E-04 -0.21227E-05 2540 0.134E-02 2422 T= 6728. E= 0.67478490E+03 F= 0.61570410E+03 E0= 0.64414626E+03 EK= 0.54786E+02 SP= 0.40E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340498447519E+03 0.66462E-01 -0.11504E-01 7352 0.247E+01 0.250E-01 RMM: 2 -0.340519119129E+03 -0.20672E-01 -0.96764E-02 4935 0.755E-01 0.137E+00 RMM: 3 -0.340506427014E+03 0.12692E-01 -0.12289E-02 5450 0.246E-01 0.254E-01 RMM: 4 -0.340505944824E+03 0.48219E-03 -0.11782E-03 4702 0.703E-02 0.816E-02 RMM: 5 -0.340505911586E+03 0.33238E-04 -0.14377E-04 3927 0.297E-02 0.766E-02 RMM: 6 -0.340505873566E+03 0.38020E-04 -0.25604E-05 2575 0.150E-02 0.430E-02 RMM: 7 -0.340505871362E+03 0.22032E-05 -0.20017E-05 2507 0.143E-02 2423 T= 6767. E= 0.67478583E+03 F= 0.61576312E+03 E0= 0.64420342E+03 EK= 0.55103E+02 SP= 0.37E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340128116058E+03 0.37776E+00 -0.11915E-01 7456 0.247E+01 0.239E-01 RMM: 2 -0.340145626490E+03 -0.17510E-01 -0.98566E-02 4850 0.762E-01 0.118E+00 RMM: 3 -0.340136205705E+03 0.94208E-02 -0.12134E-02 5497 0.237E-01 0.242E-01 RMM: 4 -0.340135815819E+03 0.38989E-03 -0.11809E-03 4731 0.738E-02 0.110E-01 RMM: 5 -0.340135819902E+03 -0.40822E-05 -0.17821E-04 3870 0.329E-02 2424 T= 6767. E= 0.67478979E+03 F= 0.61613317E+03 E0= 0.64457273E+03 EK= 0.55103E+02 SP= 0.33E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339479356082E+03 0.65646E+00 -0.12122E-01 7464 0.247E+01 0.159E-01 RMM: 2 -0.339493698165E+03 -0.14342E-01 -0.10706E-01 4897 0.762E-01 0.829E-01 RMM: 3 -0.339488764923E+03 0.49332E-02 -0.12087E-02 5785 0.204E-01 0.134E-01 RMM: 4 -0.339488521209E+03 0.24371E-03 -0.60493E-04 4835 0.541E-02 0.852E-02 RMM: 5 -0.339488460359E+03 0.60850E-04 -0.74353E-05 3484 0.248E-02 0.565E-02 RMM: 6 -0.339488450531E+03 0.98276E-05 -0.25103E-05 2546 0.150E-02 2425 T= 6731. E= 0.67479598E+03 F= 0.61678054E+03 E0= 0.64521968E+03 EK= 0.54815E+02 SP= 0.30E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338610050624E+03 0.87841E+00 -0.12993E-01 7528 0.246E+01 0.236E-01 RMM: 2 -0.338634843712E+03 -0.24793E-01 -0.12432E-01 4679 0.846E-01 0.141E+00 RMM: 3 -0.338620601237E+03 0.14242E-01 -0.15367E-02 5456 0.263E-01 0.219E-01 RMM: 4 -0.338620209571E+03 0.39167E-03 -0.12820E-03 4985 0.704E-02 0.646E-02 RMM: 5 -0.338620193498E+03 0.16073E-04 -0.13960E-04 4059 0.287E-02 2426 T= 6667. E= 0.67480269E+03 F= 0.61764880E+03 E0= 0.64608315E+03 EK= 0.54296E+02 SP= 0.26E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337592727800E+03 0.10275E+01 -0.12082E-01 7528 0.244E+01 0.240E-01 RMM: 2 -0.337616289089E+03 -0.23561E-01 -0.98281E-02 4859 0.756E-01 0.148E+00 RMM: 3 -0.337600779562E+03 0.15510E-01 -0.12403E-02 5418 0.248E-01 0.214E-01 RMM: 4 -0.337600442760E+03 0.33680E-03 -0.11581E-03 4741 0.701E-02 0.857E-02 RMM: 5 -0.337600409822E+03 0.32937E-04 -0.13518E-04 4195 0.282E-02 0.780E-02 RMM: 6 -0.337600371846E+03 0.37976E-04 -0.26492E-05 2569 0.153E-02 0.436E-02 RMM: 7 -0.337600375041E+03 -0.31950E-05 -0.28035E-05 2628 0.160E-02 2427 T= 6584. E= 0.67480957E+03 F= 0.61866861E+03 E0= 0.64709203E+03 EK= 0.53615E+02 SP= 0.23E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336497671507E+03 0.11027E+01 -0.12091E-01 7480 0.243E+01 0.169E-01 RMM: 2 -0.336509219379E+03 -0.11548E-01 -0.91655E-02 4675 0.735E-01 0.716E-01 RMM: 3 -0.336505572104E+03 0.36473E-02 -0.11192E-02 5778 0.202E-01 0.147E-01 RMM: 4 -0.336505395473E+03 0.17663E-03 -0.65164E-04 4670 0.592E-02 0.121E-01 RMM: 5 -0.336505319934E+03 0.75539E-04 -0.10791E-04 3637 0.291E-02 0.668E-02 RMM: 6 -0.336505292245E+03 0.27689E-04 -0.29120E-05 2745 0.165E-02 0.199E-02 RMM: 7 -0.336505298722E+03 -0.64765E-05 -0.12057E-05 2477 0.114E-02 2428 T= 6490. E= 0.67481584E+03 F= 0.61976369E+03 E0= 0.64816942E+03 EK= 0.52851E+02 SP= 0.20E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335404823684E+03 0.11005E+01 -0.11492E-01 7456 0.240E+01 0.128E-01 RMM: 2 -0.335413154718E+03 -0.83310E-02 -0.69603E-02 4828 0.638E-01 0.575E-01 RMM: 3 -0.335410885847E+03 0.22689E-02 -0.79400E-03 5804 0.170E-01 0.117E-01 RMM: 4 -0.335410731775E+03 0.15407E-03 -0.37945E-04 4451 0.480E-02 0.881E-02 RMM: 5 -0.335410672149E+03 0.59626E-04 -0.56297E-05 3221 0.238E-02 0.473E-02 RMM: 6 -0.335410662285E+03 0.98647E-05 -0.19824E-05 2506 0.129E-02 2429 T= 6396. E= 0.67482207E+03 F= 0.62085833E+03 E0= 0.64924058E+03 EK= 0.52083E+02 SP= 0.17E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334380502084E+03 0.10302E+01 -0.11273E-01 7256 0.238E+01 0.178E-01 RMM: 2 -0.334392576788E+03 -0.12075E-01 -0.66420E-02 4814 0.637E-01 0.964E-01 RMM: 3 -0.334386030512E+03 0.65463E-02 -0.83021E-03 5410 0.197E-01 0.165E-01 RMM: 4 -0.334385835135E+03 0.19538E-03 -0.61907E-04 4696 0.525E-02 0.689E-02 RMM: 5 -0.334385815499E+03 0.19637E-04 -0.77011E-05 3543 0.251E-02 2430 T= 6310. E= 0.67482808E+03 F= 0.62188317E+03 E0= 0.65023884E+03 EK= 0.51383E+02 SP= 0.13E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333484563908E+03 0.90127E+00 -0.11182E-01 7288 0.237E+01 0.159E-01 RMM: 2 -0.333494425434E+03 -0.98615E-02 -0.62195E-02 4927 0.607E-01 0.791E-01 RMM: 3 -0.333489901808E+03 0.45236E-02 -0.72691E-03 5438 0.181E-01 0.184E-01 RMM: 4 -0.333489665340E+03 0.23647E-03 -0.55501E-04 4573 0.527E-02 0.773E-02 RMM: 5 -0.333489632320E+03 0.33020E-04 -0.67259E-05 3397 0.231E-02 0.652E-02 RMM: 6 -0.333489615025E+03 0.17294E-04 -0.23462E-05 2536 0.150E-02 2431 T= 6240. E= 0.67483326E+03 F= 0.62277937E+03 E0= 0.65110883E+03 EK= 0.50815E+02 SP= 0.10E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332761322677E+03 0.72831E+00 -0.11078E-01 7224 0.235E+01 0.262E-01 RMM: 2 -0.332782307536E+03 -0.20985E-01 -0.79169E-02 4782 0.699E-01 0.143E+00 RMM: 3 -0.332767622780E+03 0.14685E-01 -0.11518E-02 5351 0.251E-01 0.250E-01 RMM: 4 -0.332767210932E+03 0.41185E-03 -0.11910E-03 4722 0.702E-02 0.841E-02 RMM: 5 -0.332767208304E+03 0.26276E-05 -0.15014E-04 3871 0.313E-02 2432 T= 6192. E= 0.67483705E+03 F= 0.62350178E+03 E0= 0.65181014E+03 EK= 0.50425E+02 SP= 0.66E+00 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332238218516E+03 0.52899E+00 -0.10916E-01 7512 0.234E+01 0.221E-01 RMM: 2 -0.332255771998E+03 -0.17553E-01 -0.76064E-02 4887 0.677E-01 0.127E+00 RMM: 3 -0.332244534379E+03 0.11238E-01 -0.10047E-02 5385 0.229E-01 0.218E-01 RMM: 4 -0.332244222117E+03 0.31226E-03 -0.94912E-04 4726 0.632E-02 0.861E-02 RMM: 5 -0.332244185410E+03 0.36707E-04 -0.11824E-04 3837 0.297E-02 0.716E-02 RMM: 6 -0.332244156108E+03 0.29302E-04 -0.29856E-05 2757 0.163E-02 0.415E-02 RMM: 7 -0.332244166459E+03 -0.10351E-04 -0.23524E-05 2551 0.148E-02 2433 T= 6170. E= 0.67483919E+03 F= 0.62402482E+03 E0= 0.65231884E+03 EK= 0.50243E+02 SP= 0.31E+00 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331919033074E+03 0.32512E+00 -0.11094E-01 7592 0.234E+01 0.201E-01 RMM: 2 -0.331932645858E+03 -0.13613E-01 -0.84837E-02 4754 0.712E-01 0.960E-01 RMM: 3 -0.331926120508E+03 0.65253E-02 -0.10379E-02 5564 0.211E-01 0.170E-01 RMM: 4 -0.331925931740E+03 0.18877E-03 -0.78618E-04 4701 0.611E-02 0.114E-01 RMM: 5 -0.331925870610E+03 0.61130E-04 -0.11688E-04 3749 0.282E-02 0.690E-02 RMM: 6 -0.331925838976E+03 0.31635E-04 -0.28922E-05 2833 0.165E-02 0.166E-02 RMM: 7 -0.331925841725E+03 -0.27496E-05 -0.10854E-05 2473 0.110E-02 2434 T= 6174. E= 0.67483899E+03 F= 0.62434315E+03 E0= 0.65263209E+03 EK= 0.50274E+02 SP= -.61E-01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331790530019E+03 0.13531E+00 -0.10915E-01 7576 0.234E+01 0.181E-01 RMM: 2 -0.331802593633E+03 -0.12064E-01 -0.88451E-02 4839 0.730E-01 0.819E-01 RMM: 3 -0.331797999314E+03 0.45943E-02 -0.10655E-02 5786 0.204E-01 0.137E-01 RMM: 4 -0.331797776384E+03 0.22293E-03 -0.59155E-04 4880 0.532E-02 0.881E-02 RMM: 5 -0.331797716385E+03 0.59999E-04 -0.80189E-05 3623 0.250E-02 0.566E-02 RMM: 6 -0.331797700766E+03 0.15620E-04 -0.21778E-05 2540 0.138E-02 2435 T= 6202. E= 0.67483748E+03 F= 0.62447129E+03 E0= 0.65276385E+03 EK= 0.50507E+02 SP= -.44E+00 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331817703689E+03 -0.19987E-01 -0.11157E-01 7552 0.234E+01 0.155E-01 RMM: 2 -0.331830625900E+03 -0.12922E-01 -0.89843E-02 4828 0.710E-01 0.847E-01 RMM: 3 -0.331825579554E+03 0.50463E-02 -0.10607E-02 5752 0.197E-01 0.151E-01 RMM: 4 -0.331825313530E+03 0.26602E-03 -0.54865E-04 4816 0.504E-02 0.669E-02 RMM: 5 -0.331825282311E+03 0.31219E-04 -0.62424E-05 3250 0.230E-02 0.561E-02 RMM: 6 -0.331825276355E+03 0.59558E-05 -0.23716E-05 2549 0.146E-02 2436 T= 6251. E= 0.67483462E+03 F= 0.62444371E+03 E0= 0.65274817E+03 EK= 0.50908E+02 SP= -.83E+00 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331950664991E+03 -0.12538E+00 -0.10686E-01 7480 0.235E+01 0.346E-01 RMM: 2 -0.331980077780E+03 -0.29413E-01 -0.91861E-02 4908 0.753E-01 0.182E+00 RMM: 3 -0.331957380799E+03 0.22697E-01 -0.15454E-02 5363 0.300E-01 0.316E-01 RMM: 4 -0.331956656319E+03 0.72448E-03 -0.17981E-03 4863 0.872E-02 0.908E-02 RMM: 5 -0.331956678386E+03 -0.22067E-04 -0.23153E-04 3941 0.347E-02 0.117E-01 RMM: 6 -0.331956587518E+03 0.90868E-04 -0.53825E-05 3248 0.217E-02 0.368E-02 RMM: 7 -0.331956585563E+03 0.19553E-05 -0.15500E-05 2509 0.120E-02 2437 T= 6315. E= 0.67483077E+03 F= 0.62431240E+03 E0= 0.65263443E+03 EK= 0.51424E+02 SP= -.12E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332118982157E+03 -0.16239E+00 -0.11149E-01 7480 0.236E+01 0.257E-01 RMM: 2 -0.332139288492E+03 -0.20306E-01 -0.10481E-01 4818 0.779E-01 0.129E+00 RMM: 3 -0.332127604484E+03 0.11684E-01 -0.13678E-02 5443 0.258E-01 0.259E-01 RMM: 4 -0.332127122780E+03 0.48170E-03 -0.13296E-03 4767 0.756E-02 0.894E-02 RMM: 5 -0.332127114796E+03 0.79838E-05 -0.17812E-04 3962 0.317E-02 2438 T= 6384. E= 0.67482699E+03 F= 0.62414187E+03 E0= 0.65248444E+03 EK= 0.51990E+02 SP= -.16E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332258759555E+03 -0.13164E+00 -0.10967E-01 7568 0.237E+01 0.160E-01 RMM: 2 -0.332271639937E+03 -0.12880E-01 -0.90042E-02 4952 0.701E-01 0.855E-01 RMM: 3 -0.332266537493E+03 0.51024E-02 -0.10293E-02 5706 0.197E-01 0.154E-01 RMM: 4 -0.332266286221E+03 0.25127E-03 -0.57649E-04 5009 0.488E-02 0.729E-02 RMM: 5 -0.332266242754E+03 0.43467E-04 -0.60671E-05 3169 0.231E-02 0.634E-02 RMM: 6 -0.332266229958E+03 0.12796E-04 -0.28598E-05 2611 0.159E-02 2439 T= 6451. E= 0.67482346E+03 F= 0.62400276E+03 E0= 0.65236893E+03 EK= 0.52534E+02 SP= -.21E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332300024084E+03 -0.33781E-01 -0.11329E-01 7544 0.238E+01 0.292E-01 RMM: 2 -0.332327240888E+03 -0.27217E-01 -0.10818E-01 4823 0.787E-01 0.164E+00 RMM: 3 -0.332308445164E+03 0.18796E-01 -0.14668E-02 5412 0.274E-01 0.229E-01 RMM: 4 -0.332308074794E+03 0.37037E-03 -0.14711E-03 4954 0.732E-02 0.909E-02 RMM: 5 -0.332308059787E+03 0.15007E-04 -0.16282E-04 3889 0.312E-02 2440 T= 6507. E= 0.67482064E+03 F= 0.62396093E+03 E0= 0.65235054E+03 EK= 0.52987E+02 SP= -.25E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332188399680E+03 0.11968E+00 -0.10973E-01 7520 0.239E+01 0.271E-01 RMM: 2 -0.332217446456E+03 -0.29047E-01 -0.11837E-01 4931 0.807E-01 0.165E+00 RMM: 3 -0.332198249597E+03 0.19197E-01 -0.15894E-02 5425 0.278E-01 0.258E-01 RMM: 4 -0.332197753301E+03 0.49630E-03 -0.15131E-03 5038 0.749E-02 0.961E-02 RMM: 5 -0.332197699131E+03 0.54170E-04 -0.15754E-04 3904 0.322E-02 0.840E-02 RMM: 6 -0.332197652496E+03 0.46635E-04 -0.34419E-05 2846 0.172E-02 0.498E-02 RMM: 7 -0.332197650766E+03 0.17298E-05 -0.24244E-05 2553 0.148E-02 2441 T= 6544. E= 0.67481897E+03 F= 0.62407134E+03 E0= 0.65248481E+03 EK= 0.53292E+02 SP= -.29E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331888368388E+03 0.30928E+00 -0.12000E-01 7728 0.239E+01 0.208E-01 RMM: 2 -0.331906325936E+03 -0.17958E-01 -0.12315E-01 4762 0.825E-01 0.102E+00 RMM: 3 -0.331898911512E+03 0.74144E-02 -0.14476E-02 5753 0.229E-01 0.174E-01 RMM: 4 -0.331898588909E+03 0.32260E-03 -0.89843E-04 4831 0.662E-02 0.111E-01 RMM: 5 -0.331898544397E+03 0.44512E-04 -0.13075E-04 3824 0.279E-02 0.825E-02 RMM: 6 -0.331898501499E+03 0.42898E-04 -0.31089E-05 2849 0.171E-02 0.249E-02 RMM: 7 -0.331898503737E+03 -0.22382E-05 -0.12323E-05 2484 0.113E-02 2442 T= 6559. E= 0.67481892E+03 F= 0.62437049E+03 E0= 0.65280660E+03 EK= 0.53409E+02 SP= -.33E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331391626744E+03 0.50687E+00 -0.11434E-01 7608 0.239E+01 0.164E-01 RMM: 2 -0.331405507845E+03 -0.13881E-01 -0.11360E-01 4942 0.777E-01 0.748E-01 RMM: 3 -0.331401601956E+03 0.39059E-02 -0.12917E-02 6024 0.201E-01 0.145E-01 RMM: 4 -0.331401289029E+03 0.31293E-03 -0.58973E-04 4672 0.581E-02 0.109E-01 RMM: 5 -0.331401187910E+03 0.10112E-03 -0.88823E-05 3578 0.250E-02 0.573E-02 RMM: 6 -0.331401174738E+03 0.13172E-04 -0.22199E-05 2542 0.139E-02 2443 T= 6549. E= 0.67482107E+03 F= 0.62486781E+03 E0= 0.65332603E+03 EK= 0.53329E+02 SP= -.37E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330717475453E+03 0.68371E+00 -0.10833E-01 7632 0.238E+01 0.195E-01 RMM: 2 -0.330731914580E+03 -0.14439E-01 -0.86902E-02 5131 0.678E-01 0.102E+00 RMM: 3 -0.330724702334E+03 0.72122E-02 -0.98179E-03 5644 0.202E-01 0.187E-01 RMM: 4 -0.330724410774E+03 0.29156E-03 -0.70276E-04 4757 0.556E-02 0.792E-02 RMM: 5 -0.330724371072E+03 0.39702E-04 -0.86854E-05 3733 0.231E-02 0.699E-02 RMM: 6 -0.330724348754E+03 0.22318E-04 -0.22513E-05 2556 0.144E-02 0.524E-02 RMM: 7 -0.330724365868E+03 -0.17114E-04 -0.37400E-05 2863 0.177E-02 2444 T= 6516. E= 0.67482444E+03 F= 0.62554462E+03 E0= 0.65402473E+03 EK= 0.53067E+02 SP= -.41E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329905883477E+03 0.81847E+00 -0.10781E-01 7760 0.238E+01 0.248E-01 RMM: 2 -0.329922893354E+03 -0.17010E-01 -0.96720E-02 5073 0.731E-01 0.117E+00 RMM: 3 -0.329913613867E+03 0.92795E-02 -0.11296E-02 5622 0.220E-01 0.236E-01 RMM: 4 -0.329913242452E+03 0.37141E-03 -0.11220E-03 4685 0.749E-02 0.140E-01 RMM: 5 -0.329913148595E+03 0.93856E-04 -0.16488E-04 3876 0.310E-02 0.905E-02 RMM: 6 -0.329913098223E+03 0.50372E-04 -0.33966E-05 2948 0.182E-02 0.297E-02 RMM: 7 -0.329913100075E+03 -0.18518E-05 -0.15483E-05 2498 0.120E-02 2445 T= 6468. E= 0.67482971E+03 F= 0.62635589E+03 E0= 0.65485775E+03 EK= 0.52669E+02 SP= -.45E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329028059790E+03 0.88504E+00 -0.11215E-01 7944 0.236E+01 0.194E-01 RMM: 2 -0.329043559942E+03 -0.15500E-01 -0.10450E-01 5136 0.737E-01 0.967E-01 RMM: 3 -0.329036872478E+03 0.66875E-02 -0.11250E-02 5826 0.204E-01 0.159E-01 RMM: 4 -0.329036591666E+03 0.28081E-03 -0.67594E-04 4757 0.570E-02 0.101E-01 RMM: 5 -0.329036525262E+03 0.66404E-04 -0.97031E-05 3746 0.246E-02 0.711E-02 RMM: 6 -0.329036499984E+03 0.25278E-04 -0.24868E-05 2570 0.152E-02 0.447E-02 RMM: 7 -0.329036502038E+03 -0.20543E-05 -0.22587E-05 2566 0.136E-02 2446 T= 6411. E= 0.67483595E+03 F= 0.62723249E+03 E0= 0.65575544E+03 EK= 0.52204E+02 SP= -.49E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328168283537E+03 0.86822E+00 -0.11159E-01 8296 0.235E+01 0.179E-01 RMM: 2 -0.328180775426E+03 -0.12492E-01 -0.94595E-02 5066 0.709E-01 0.796E-01 RMM: 3 -0.328176303320E+03 0.44721E-02 -0.10034E-02 5933 0.194E-01 0.148E-01 RMM: 4 -0.328176063775E+03 0.23955E-03 -0.57194E-04 4734 0.529E-02 0.101E-01 RMM: 5 -0.328176003114E+03 0.60661E-04 -0.81120E-05 3613 0.241E-02 0.584E-02 RMM: 6 -0.328175988033E+03 0.15081E-04 -0.20081E-05 2542 0.137E-02 2447 T= 6356. E= 0.67484246E+03 F= 0.62809300E+03 E0= 0.65663670E+03 EK= 0.51756E+02 SP= -.54E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327403573231E+03 0.77243E+00 -0.12262E-01 8056 0.234E+01 0.193E-01 RMM: 2 -0.327422024515E+03 -0.18451E-01 -0.12917E-01 4986 0.822E-01 0.998E-01 RMM: 3 -0.327414833207E+03 0.71913E-02 -0.14119E-02 5849 0.223E-01 0.187E-01 RMM: 4 -0.327414419845E+03 0.41336E-03 -0.77232E-04 4829 0.617E-02 0.909E-02 RMM: 5 -0.327414366198E+03 0.53647E-04 -0.10270E-04 4011 0.249E-02 0.698E-02 RMM: 6 -0.327414346141E+03 0.20058E-04 -0.22033E-05 2547 0.140E-02 0.555E-02 RMM: 7 -0.327414350041E+03 -0.39000E-05 -0.39741E-05 2905 0.185E-02 2448 T= 6313. E= 0.67484782E+03 F= 0.62885464E+03 E0= 0.65741889E+03 EK= 0.51408E+02 SP= -.58E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326818299314E+03 0.59605E+00 -0.11427E-01 8256 0.233E+01 0.228E-01 RMM: 2 -0.326834510211E+03 -0.16211E-01 -0.96892E-02 5018 0.728E-01 0.110E+00 RMM: 3 -0.326826265267E+03 0.82449E-02 -0.10550E-02 5689 0.215E-01 0.217E-01 RMM: 4 -0.326825916971E+03 0.34830E-03 -0.95886E-04 4664 0.705E-02 0.116E-01 RMM: 5 -0.326825889712E+03 0.27259E-04 -0.15013E-04 3844 0.303E-02 0.102E-01 RMM: 6 -0.326825822740E+03 0.66972E-04 -0.38829E-05 3044 0.194E-02 0.301E-02 RMM: 7 -0.326825823556E+03 -0.81582E-06 -0.14422E-05 2493 0.117E-02 2449 T= 6292. E= 0.67485179E+03 F= 0.62944317E+03 E0= 0.65802827E+03 EK= 0.51237E+02 SP= -.62E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326453476624E+03 0.37235E+00 -0.11777E-01 8216 0.233E+01 0.223E-01 RMM: 2 -0.326472802226E+03 -0.19326E-01 -0.12176E-01 4987 0.816E-01 0.115E+00 RMM: 3 -0.326463765870E+03 0.90364E-02 -0.13618E-02 5729 0.235E-01 0.196E-01 RMM: 4 -0.326463376924E+03 0.38895E-03 -0.90846E-04 4848 0.650E-02 0.980E-02 RMM: 5 -0.326463323126E+03 0.53798E-04 -0.12803E-04 3903 0.282E-02 0.779E-02 RMM: 6 -0.326463286470E+03 0.36657E-04 -0.29005E-05 2652 0.162E-02 0.428E-02 RMM: 7 -0.326463286425E+03 0.44764E-07 -0.20232E-05 2522 0.136E-02 2450 T= 6299. E= 0.67485407E+03 F= 0.62980570E+03 E0= 0.65841341E+03 EK= 0.51297E+02 SP= -.66E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326341836410E+03 0.12145E+00 -0.11891E-01 8088 0.233E+01 0.224E-01 RMM: 2 -0.326360267073E+03 -0.18431E-01 -0.12063E-01 4853 0.823E-01 0.108E+00 RMM: 3 -0.326352143607E+03 0.81235E-02 -0.14294E-02 5668 0.247E-01 0.192E-01 RMM: 4 -0.326351784275E+03 0.35933E-03 -0.95722E-04 4994 0.639E-02 0.844E-02 RMM: 5 -0.326351759229E+03 0.25045E-04 -0.12078E-04 3826 0.300E-02 0.759E-02 RMM: 6 -0.326351723835E+03 0.35395E-04 -0.27107E-05 2611 0.154E-02 0.386E-02 RMM: 7 -0.326351726515E+03 -0.26807E-05 -0.16574E-05 2504 0.130E-02 2451 T= 6338. E= 0.67485431E+03 F= 0.62991726E+03 E0= 0.65855095E+03 EK= 0.51615E+02 SP= -.71E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326478096592E+03 -0.12637E+00 -0.12014E-01 8136 0.233E+01 0.240E-01 RMM: 2 -0.326498296514E+03 -0.20200E-01 -0.12605E-01 4895 0.845E-01 0.117E+00 RMM: 3 -0.326488791994E+03 0.95045E-02 -0.14599E-02 5614 0.253E-01 0.234E-01 RMM: 4 -0.326488343483E+03 0.44851E-03 -0.11112E-03 4810 0.718E-02 0.990E-02 RMM: 5 -0.326488311959E+03 0.31524E-04 -0.16260E-04 3897 0.316E-02 0.936E-02 RMM: 6 -0.326488254656E+03 0.57303E-04 -0.39081E-05 3018 0.185E-02 0.365E-02 RMM: 7 -0.326488255045E+03 -0.38954E-06 -0.16041E-05 2503 0.127E-02 2452 T= 6409. E= 0.67485247E+03 F= 0.62978073E+03 E0= 0.65844467E+03 EK= 0.52189E+02 SP= -.75E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326828309455E+03 -0.34005E+00 -0.11660E-01 7992 0.235E+01 0.232E-01 RMM: 2 -0.326847554330E+03 -0.19245E-01 -0.12423E-01 4852 0.849E-01 0.112E+00 RMM: 3 -0.326838934926E+03 0.86194E-02 -0.15045E-02 5614 0.258E-01 0.211E-01 RMM: 4 -0.326838550117E+03 0.38481E-03 -0.10555E-03 5007 0.663E-02 0.924E-02 RMM: 5 -0.326838513723E+03 0.36394E-04 -0.13687E-04 3870 0.328E-02 0.812E-02 RMM: 6 -0.326838470804E+03 0.42919E-04 -0.34393E-05 2863 0.171E-02 0.429E-02 RMM: 7 -0.326838474349E+03 -0.35451E-05 -0.24695E-05 2541 0.156E-02 2453 T= 6506. E= 0.67484842E+03 F= 0.62943051E+03 E0= 0.65813012E+03 EK= 0.52983E+02 SP= -.80E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327329644634E+03 -0.49117E+00 -0.11706E-01 7976 0.237E+01 0.232E-01 RMM: 2 -0.327348258603E+03 -0.18614E-01 -0.11417E-01 4875 0.817E-01 0.115E+00 RMM: 3 -0.327339291290E+03 0.89673E-02 -0.13576E-02 5583 0.248E-01 0.223E-01 RMM: 4 -0.327338894761E+03 0.39653E-03 -0.10406E-03 4799 0.690E-02 0.953E-02 RMM: 5 -0.327338864867E+03 0.29894E-04 -0.15144E-04 3867 0.321E-02 0.898E-02 RMM: 6 -0.327338814244E+03 0.50623E-04 -0.37412E-05 2974 0.182E-02 0.369E-02 RMM: 7 -0.327338816361E+03 -0.21171E-05 -0.17182E-05 2507 0.134E-02 2454 T= 6623. E= 0.67484286E+03 F= 0.62893017E+03 E0= 0.65767027E+03 EK= 0.53933E+02 SP= -.84E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327893386447E+03 -0.55457E+00 -0.12045E-01 7888 0.239E+01 0.204E-01 RMM: 2 -0.327908698392E+03 -0.15312E-01 -0.10869E-01 4937 0.791E-01 0.945E-01 RMM: 3 -0.327902637847E+03 0.60605E-02 -0.12475E-02 5697 0.230E-01 0.196E-01 RMM: 4 -0.327902312828E+03 0.32502E-03 -0.78708E-04 4843 0.603E-02 0.974E-02 RMM: 5 -0.327902257998E+03 0.54830E-04 -0.12031E-04 3830 0.307E-02 0.762E-02 RMM: 6 -0.327902221688E+03 0.36309E-04 -0.31797E-05 2793 0.167E-02 0.434E-02 RMM: 7 -0.327902217209E+03 0.44794E-05 -0.29153E-05 2543 0.168E-02 2455 T= 6748. E= 0.67483525E+03 F= 0.62836677E+03 E0= 0.65714996E+03 EK= 0.54948E+02 SP= -.89E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328411384904E+03 -0.50916E+00 -0.12695E-01 7656 0.242E+01 0.176E-01 RMM: 2 -0.328423946223E+03 -0.12561E-01 -0.10115E-01 5016 0.768E-01 0.759E-01 RMM: 3 -0.328420014652E+03 0.39316E-02 -0.11049E-02 5912 0.204E-01 0.167E-01 RMM: 4 -0.328419719926E+03 0.29473E-03 -0.61149E-04 4678 0.583E-02 0.104E-01 RMM: 5 -0.328419652250E+03 0.67676E-04 -0.10264E-04 3682 0.279E-02 0.701E-02 RMM: 6 -0.328419626153E+03 0.26096E-04 -0.25523E-05 2605 0.156E-02 0.390E-02 RMM: 7 -0.328419626522E+03 -0.36812E-06 -0.20550E-05 2510 0.140E-02 2456 T= 6866. E= 0.67482717E+03 F= 0.62784936E+03 E0= 0.65667623E+03 EK= 0.55915E+02 SP= -.93E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328768670117E+03 -0.34904E+00 -0.12739E-01 7600 0.245E+01 0.180E-01 RMM: 2 -0.328781203273E+03 -0.12533E-01 -0.10308E-01 5035 0.774E-01 0.751E-01 RMM: 3 -0.328777351748E+03 0.38515E-02 -0.11108E-02 5920 0.205E-01 0.153E-01 RMM: 4 -0.328777111360E+03 0.24039E-03 -0.57506E-04 4745 0.554E-02 0.118E-01 RMM: 5 -0.328777016026E+03 0.95335E-04 -0.10177E-04 3751 0.284E-02 0.654E-02 RMM: 6 -0.328776995422E+03 0.20603E-04 -0.25280E-05 2569 0.151E-02 0.448E-02 RMM: 7 -0.328776989947E+03 0.54746E-05 -0.23421E-05 2527 0.145E-02 2457 T= 6965. E= 0.67482004E+03 F= 0.62749200E+03 E0= 0.65635932E+03 EK= 0.56715E+02 SP= -.97E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328864286275E+03 -0.87291E-01 -0.12568E-01 7720 0.247E+01 0.166E-01 RMM: 2 -0.328876715864E+03 -0.12430E-01 -0.10422E-01 4899 0.779E-01 0.702E-01 RMM: 3 -0.328873304908E+03 0.34110E-02 -0.11845E-02 5944 0.210E-01 0.155E-01 RMM: 4 -0.328873030213E+03 0.27469E-03 -0.55217E-04 4640 0.570E-02 0.105E-01 RMM: 5 -0.328872955693E+03 0.74520E-04 -0.94120E-05 3612 0.286E-02 0.638E-02 RMM: 6 -0.328872937395E+03 0.18298E-04 -0.25489E-05 2565 0.153E-02 2458 T= 7029. E= 0.67481555E+03 F= 0.62739605E+03 E0= 0.65629767E+03 EK= 0.57243E+02 SP= -.10E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328627641489E+03 0.24531E+00 -0.12374E-01 7496 0.248E+01 0.219E-01 RMM: 2 -0.328643729318E+03 -0.16088E-01 -0.94806E-02 5119 0.747E-01 0.111E+00 RMM: 3 -0.328635252588E+03 0.84767E-02 -0.10112E-02 5518 0.223E-01 0.217E-01 RMM: 4 -0.328634923319E+03 0.32927E-03 -0.79062E-04 4727 0.603E-02 0.894E-02 RMM: 5 -0.328634870097E+03 0.53223E-04 -0.10433E-04 3797 0.285E-02 0.725E-02 RMM: 6 -0.328634845748E+03 0.24348E-04 -0.27119E-05 2617 0.154E-02 0.573E-02 RMM: 7 -0.328634847421E+03 -0.16732E-05 -0.34978E-05 2725 0.178E-02 2459 T= 7051. E= 0.67481346E+03 F= 0.62763414E+03 E0= 0.65656286E+03 EK= 0.57420E+02 SP= -.11E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328027347542E+03 0.60750E+00 -0.12896E-01 7416 0.249E+01 0.244E-01 RMM: 2 -0.328043922453E+03 -0.16575E-01 -0.91605E-02 4885 0.762E-01 0.116E+00 RMM: 3 -0.328034763644E+03 0.91588E-02 -0.11710E-02 5496 0.245E-01 0.255E-01 RMM: 4 -0.328034348641E+03 0.41500E-03 -0.10730E-03 4723 0.739E-02 0.110E-01 RMM: 5 -0.328034319621E+03 0.29019E-04 -0.15602E-04 3874 0.328E-02 0.103E-01 RMM: 6 -0.328034250924E+03 0.68697E-04 -0.41216E-05 3055 0.198E-02 0.334E-02 RMM: 7 -0.328034251978E+03 -0.10545E-05 -0.16303E-05 2500 0.129E-02 2460 T= 7026. E= 0.67481513E+03 F= 0.62823474E+03 E0= 0.65718353E+03 EK= 0.57215E+02 SP= -.11E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327089837061E+03 0.94441E+00 -0.13141E-01 7600 0.248E+01 0.251E-01 RMM: 2 -0.327109631910E+03 -0.19795E-01 -0.10304E-01 4938 0.794E-01 0.130E+00 RMM: 3 -0.327098195216E+03 0.11437E-01 -0.12568E-02 5479 0.253E-01 0.259E-01 RMM: 4 -0.327097719510E+03 0.47571E-03 -0.10375E-03 4719 0.696E-02 0.843E-02 RMM: 5 -0.327097681373E+03 0.38137E-04 -0.13550E-04 3876 0.308E-02 0.828E-02 RMM: 6 -0.327097639998E+03 0.41374E-04 -0.31927E-05 2776 0.168E-02 0.463E-02 RMM: 7 -0.327097641642E+03 -0.16439E-05 -0.23424E-05 2534 0.151E-02 2461 T= 6957. E= 0.67482121E+03 F= 0.62917135E+03 E0= 0.65813186E+03 EK= 0.56654E+02 SP= -.11E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325894434660E+03 0.12032E+01 -0.12952E-01 7464 0.247E+01 0.232E-01 RMM: 2 -0.325909723098E+03 -0.15288E-01 -0.98228E-02 4807 0.782E-01 0.102E+00 RMM: 3 -0.325902340949E+03 0.73821E-02 -0.12804E-02 5469 0.255E-01 0.136E-01 RMM: 4 -0.325902260540E+03 0.80408E-04 -0.89163E-04 4796 0.617E-02 0.118E-01 RMM: 5 -0.325902179966E+03 0.80574E-04 -0.10477E-04 3845 0.288E-02 0.711E-02 RMM: 6 -0.325902149699E+03 0.30267E-04 -0.26630E-05 2595 0.153E-02 0.346E-02 RMM: 7 -0.325902152728E+03 -0.30293E-05 -0.19094E-05 2509 0.141E-02 2462 T= 6854. E= 0.67482953E+03 F= 0.63036684E+03 E0= 0.65933449E+03 EK= 0.55813E+02 SP= -.12E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324547866526E+03 0.13543E+01 -0.12610E-01 7592 0.245E+01 0.219E-01 RMM: 2 -0.324564544598E+03 -0.16678E-01 -0.11659E-01 4738 0.842E-01 0.994E-01 RMM: 3 -0.324557881560E+03 0.66630E-02 -0.14517E-02 5720 0.248E-01 0.215E-01 RMM: 4 -0.324557493628E+03 0.38793E-03 -0.90146E-04 4754 0.684E-02 0.105E-01 RMM: 5 -0.324557441706E+03 0.51922E-04 -0.13963E-04 3849 0.311E-02 0.860E-02 RMM: 6 -0.324557394711E+03 0.46995E-04 -0.36987E-05 2960 0.184E-02 0.352E-02 RMM: 7 -0.324557395816E+03 -0.11050E-05 -0.20334E-05 2506 0.143E-02 2463 T= 6730. E= 0.67483878E+03 F= 0.63171159E+03 E0= 0.66068136E+03 EK= 0.54804E+02 SP= -.12E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323173533512E+03 0.13839E+01 -0.12258E-01 7648 0.243E+01 0.201E-01 RMM: 2 -0.323188102938E+03 -0.14569E-01 -0.10720E-01 4778 0.803E-01 0.882E-01 RMM: 3 -0.323182612049E+03 0.54909E-02 -0.13221E-02 5655 0.239E-01 0.151E-01 RMM: 4 -0.323182423684E+03 0.18837E-03 -0.74764E-04 4837 0.599E-02 0.113E-01 RMM: 5 -0.323182345418E+03 0.78266E-04 -0.10618E-04 3798 0.297E-02 0.618E-02 RMM: 6 -0.323182324387E+03 0.21030E-04 -0.26203E-05 2572 0.151E-02 0.383E-02 RMM: 7 -0.323182328738E+03 -0.43512E-05 -0.24872E-05 2519 0.161E-02 2464 T= 6600. E= 0.67484730E+03 F= 0.63308666E+03 E0= 0.66205557E+03 EK= 0.53749E+02 SP= -.12E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321873227917E+03 0.13091E+01 -0.12319E-01 7664 0.240E+01 0.172E-01 RMM: 2 -0.321887599087E+03 -0.14371E-01 -0.12349E-01 4695 0.859E-01 0.702E-01 RMM: 3 -0.321884057042E+03 0.35420E-02 -0.14962E-02 5989 0.231E-01 0.119E-01 RMM: 4 -0.321883861555E+03 0.19549E-03 -0.64392E-04 4751 0.614E-02 0.141E-01 RMM: 5 -0.321883739151E+03 0.12240E-03 -0.10867E-04 3705 0.318E-02 0.609E-02 RMM: 6 -0.321883719134E+03 0.20018E-04 -0.28718E-05 2591 0.161E-02 0.334E-02 RMM: 7 -0.321883721095E+03 -0.19613E-05 -0.19649E-05 2495 0.143E-02 2465 T= 6479. E= 0.67485332E+03 F= 0.63438527E+03 E0= 0.66335130E+03 EK= 0.52759E+02 SP= -.12E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320731405571E+03 0.11523E+01 -0.11223E-01 7648 0.238E+01 0.186E-01 RMM: 2 -0.320745538627E+03 -0.14133E-01 -0.10063E-01 4833 0.770E-01 0.883E-01 RMM: 3 -0.320740078218E+03 0.54604E-02 -0.11968E-02 5797 0.216E-01 0.164E-01 RMM: 4 -0.320739805807E+03 0.27241E-03 -0.66463E-04 4692 0.601E-02 0.105E-01 RMM: 5 -0.320739742047E+03 0.63761E-04 -0.10276E-04 3667 0.286E-02 0.644E-02 RMM: 6 -0.320739719496E+03 0.22551E-04 -0.26537E-05 2586 0.156E-02 0.378E-02 RMM: 7 -0.320739721556E+03 -0.20601E-05 -0.19436E-05 2499 0.140E-02 2466 T= 6375. E= 0.67485754E+03 F= 0.63552927E+03 E0= 0.66448988E+03 EK= 0.51916E+02 SP= -.13E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319790475921E+03 0.94924E+00 -0.11540E-01 7600 0.237E+01 0.195E-01 RMM: 2 -0.319804681232E+03 -0.14205E-01 -0.10448E-01 4839 0.785E-01 0.868E-01 RMM: 3 -0.319799427390E+03 0.52538E-02 -0.12527E-02 5815 0.220E-01 0.170E-01 RMM: 4 -0.319799116756E+03 0.31063E-03 -0.72040E-04 4759 0.603E-02 0.102E-01 RMM: 5 -0.319799073868E+03 0.42888E-04 -0.11085E-04 3720 0.295E-02 0.743E-02 RMM: 6 -0.319799040201E+03 0.33667E-04 -0.29106E-05 2724 0.165E-02 0.314E-02 RMM: 7 -0.319799043133E+03 -0.29319E-05 -0.16628E-05 2496 0.131E-02 2467 T= 6297. E= 0.67486058E+03 F= 0.63646995E+03 E0= 0.66542172E+03 EK= 0.51277E+02 SP= -.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319079277940E+03 0.71976E+00 -0.11609E-01 7800 0.236E+01 0.203E-01 RMM: 2 -0.319093871043E+03 -0.14593E-01 -0.10616E-01 4828 0.780E-01 0.891E-01 RMM: 3 -0.319088300591E+03 0.55705E-02 -0.12611E-02 5767 0.223E-01 0.184E-01 RMM: 4 -0.319087956974E+03 0.34362E-03 -0.77821E-04 4763 0.614E-02 0.102E-01 RMM: 5 -0.319087911505E+03 0.45469E-04 -0.11812E-04 3769 0.294E-02 0.771E-02 RMM: 6 -0.319087874396E+03 0.37109E-04 -0.29412E-05 2718 0.164E-02 0.339E-02 RMM: 7 -0.319087875254E+03 -0.85736E-06 -0.17039E-05 2497 0.131E-02 2468 T= 6247. E= 0.67486249E+03 F= 0.63718111E+03 E0= 0.66612037E+03 EK= 0.50870E+02 SP= -.13E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318608647860E+03 0.47923E+00 -0.11714E-01 7696 0.235E+01 0.205E-01 RMM: 2 -0.318623731548E+03 -0.15084E-01 -0.10749E-01 4893 0.783E-01 0.923E-01 RMM: 3 -0.318617687912E+03 0.60436E-02 -0.12564E-02 5757 0.223E-01 0.188E-01 RMM: 4 -0.318617314942E+03 0.37297E-03 -0.78068E-04 4829 0.602E-02 0.899E-02 RMM: 5 -0.318617282700E+03 0.32242E-04 -0.11011E-04 3752 0.283E-02 0.744E-02 RMM: 6 -0.318617249058E+03 0.33642E-04 -0.27094E-05 2657 0.156E-02 0.360E-02 RMM: 7 -0.318617251311E+03 -0.22530E-05 -0.20283E-05 2504 0.141E-02 2469 T= 6227. E= 0.67486313E+03 F= 0.63765174E+03 E0= 0.66657375E+03 EK= 0.50710E+02 SP= -.14E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318380118268E+03 0.23713E+00 -0.11161E-01 7712 0.236E+01 0.192E-01 RMM: 2 -0.318392250331E+03 -0.12132E-01 -0.90326E-02 5043 0.713E-01 0.833E-01 RMM: 3 -0.318387482597E+03 0.47677E-02 -0.99039E-03 5839 0.196E-01 0.149E-01 RMM: 4 -0.318387262724E+03 0.21987E-03 -0.61019E-04 4733 0.540E-02 0.112E-01 RMM: 5 -0.318387194174E+03 0.68551E-04 -0.94040E-05 3650 0.258E-02 0.717E-02 RMM: 6 -0.318387163471E+03 0.30703E-04 -0.25662E-05 2633 0.156E-02 0.357E-02 RMM: 7 -0.318387163830E+03 -0.35924E-06 -0.18911E-05 2503 0.133E-02 2470 T= 6238. E= 0.67486321E+03 F= 0.63788183E+03 E0= 0.66678202E+03 EK= 0.50799E+02 SP= -.14E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318382441901E+03 0.47216E-02 -0.11246E-01 7728 0.236E+01 0.184E-01 RMM: 2 -0.318394557028E+03 -0.12115E-01 -0.93038E-02 5064 0.720E-01 0.800E-01 RMM: 3 -0.318390133775E+03 0.44233E-02 -0.10055E-02 5908 0.191E-01 0.154E-01 RMM: 4 -0.318389869845E+03 0.26393E-03 -0.57105E-04 4668 0.536E-02 0.103E-01 RMM: 5 -0.318389807698E+03 0.62147E-04 -0.88293E-05 3609 0.250E-02 0.699E-02 RMM: 6 -0.318389781109E+03 0.26589E-04 -0.24652E-05 2579 0.152E-02 0.399E-02 RMM: 7 -0.318389779396E+03 0.17133E-05 -0.26999E-05 2551 0.154E-02 2471 T= 6279. E= 0.67486225E+03 F= 0.63787921E+03 E0= 0.66675331E+03 EK= 0.51132E+02 SP= -.14E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318599174137E+03 -0.20939E+00 -0.11520E-01 7720 0.237E+01 0.189E-01 RMM: 2 -0.318612306955E+03 -0.13133E-01 -0.10005E-01 5042 0.747E-01 0.838E-01 RMM: 3 -0.318607541143E+03 0.47658E-02 -0.11127E-02 5928 0.196E-01 0.159E-01 RMM: 4 -0.318607254017E+03 0.28713E-03 -0.62238E-04 4721 0.570E-02 0.106E-01 RMM: 5 -0.318607187496E+03 0.66520E-04 -0.95905E-05 3644 0.251E-02 0.707E-02 RMM: 6 -0.318607160539E+03 0.26958E-04 -0.25279E-05 2605 0.155E-02 0.386E-02 RMM: 7 -0.318607162017E+03 -0.14785E-05 -0.17419E-05 2501 0.126E-02 2472 T= 6347. E= 0.67486057E+03 F= 0.63766183E+03 E0= 0.66650682E+03 EK= 0.51690E+02 SP= -.15E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319002876015E+03 -0.39572E+00 -0.11593E-01 7720 0.238E+01 0.182E-01 RMM: 2 -0.319016628509E+03 -0.13752E-01 -0.10623E-01 5058 0.755E-01 0.820E-01 RMM: 3 -0.319011875353E+03 0.47532E-02 -0.11419E-02 5937 0.195E-01 0.160E-01 RMM: 4 -0.319011574404E+03 0.30095E-03 -0.60745E-04 4700 0.566E-02 0.102E-01 RMM: 5 -0.319011504289E+03 0.70115E-04 -0.92590E-05 3677 0.244E-02 0.650E-02 RMM: 6 -0.319011483652E+03 0.20637E-04 -0.23534E-05 2556 0.148E-02 0.393E-02 RMM: 7 -0.319011484303E+03 -0.65054E-06 -0.19829E-05 2515 0.132E-02 2473 T= 6440. E= 0.67485788E+03 F= 0.63725750E+03 E0= 0.66607212E+03 EK= 0.52443E+02 SP= -.15E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319554005932E+03 -0.54252E+00 -0.11884E-01 7776 0.240E+01 0.180E-01 RMM: 2 -0.319567085120E+03 -0.13079E-01 -0.10334E-01 5024 0.755E-01 0.795E-01 RMM: 3 -0.319562706081E+03 0.43790E-02 -0.11157E-02 5947 0.196E-01 0.153E-01 RMM: 4 -0.319562437035E+03 0.26905E-03 -0.58902E-04 4692 0.560E-02 0.108E-01 RMM: 5 -0.319562365115E+03 0.71920E-04 -0.93072E-05 3586 0.252E-02 0.683E-02 RMM: 6 -0.319562341196E+03 0.23919E-04 -0.25332E-05 2581 0.155E-02 0.388E-02 RMM: 7 -0.319562341982E+03 -0.78545E-06 -0.17518E-05 2507 0.127E-02 2474 T= 6551. E= 0.67485415E+03 F= 0.63670665E+03 E0= 0.66549152E+03 EK= 0.53350E+02 SP= -.15E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320196539372E+03 -0.63420E+00 -0.11834E-01 7760 0.242E+01 0.179E-01 RMM: 2 -0.320209706298E+03 -0.13167E-01 -0.10096E-01 5090 0.737E-01 0.810E-01 RMM: 3 -0.320205050781E+03 0.46555E-02 -0.10570E-02 5886 0.191E-01 0.158E-01 RMM: 4 -0.320204785568E+03 0.26521E-03 -0.58704E-04 4690 0.555E-02 0.104E-01 RMM: 5 -0.320204714418E+03 0.71150E-04 -0.92780E-05 3613 0.245E-02 0.667E-02 RMM: 6 -0.320204691878E+03 0.22541E-04 -0.23596E-05 2559 0.149E-02 0.375E-02 RMM: 7 -0.320204692293E+03 -0.41519E-06 -0.16914E-05 2501 0.123E-02 2475 T= 6674. E= 0.67484973E+03 F= 0.63606430E+03 E0= 0.66482264E+03 EK= 0.54352E+02 SP= -.16E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320864375691E+03 -0.65968E+00 -0.12220E-01 7680 0.244E+01 0.169E-01 RMM: 2 -0.320875311012E+03 -0.10935E-01 -0.90456E-02 5150 0.700E-01 0.702E-01 RMM: 3 -0.320871816667E+03 0.34943E-02 -0.89751E-03 5930 0.180E-01 0.134E-01 RMM: 4 -0.320871631752E+03 0.18491E-03 -0.49957E-04 4635 0.505E-02 0.112E-01 RMM: 5 -0.320871551946E+03 0.79806E-04 -0.83013E-05 3529 0.244E-02 0.667E-02 RMM: 6 -0.320871528845E+03 0.23101E-04 -0.23408E-05 2556 0.149E-02 0.382E-02 RMM: 7 -0.320871527341E+03 0.15043E-05 -0.18759E-05 2500 0.131E-02 2476 T= 6800. E= 0.67484493E+03 F= 0.63539746E+03 E0= 0.66413413E+03 EK= 0.55379E+02 SP= -.16E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321482700276E+03 -0.61117E+00 -0.12561E-01 7952 0.246E+01 0.166E-01 RMM: 2 -0.321495676626E+03 -0.12976E-01 -0.10629E-01 5035 0.756E-01 0.736E-01 RMM: 3 -0.321491735354E+03 0.39413E-02 -0.10938E-02 5959 0.193E-01 0.146E-01 RMM: 4 -0.321491483602E+03 0.25175E-03 -0.54649E-04 4658 0.550E-02 0.108E-01 RMM: 5 -0.321491405629E+03 0.77972E-04 -0.89367E-05 3588 0.260E-02 0.634E-02 RMM: 6 -0.321491386839E+03 0.18790E-04 -0.23245E-05 2557 0.146E-02 2477 T= 6920. E= 0.67484081E+03 F= 0.63477760E+03 E0= 0.66349824E+03 EK= 0.56353E+02 SP= -.17E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321987474314E+03 -0.49607E+00 -0.12300E-01 7784 0.248E+01 0.181E-01 RMM: 2 -0.322002399201E+03 -0.14925E-01 -0.10576E-01 5073 0.748E-01 0.912E-01 RMM: 3 -0.321996468241E+03 0.59310E-02 -0.11006E-02 5735 0.206E-01 0.180E-01 RMM: 4 -0.321996157965E+03 0.31028E-03 -0.66603E-04 4763 0.563E-02 0.919E-02 RMM: 5 -0.321996102637E+03 0.55328E-04 -0.89797E-05 3702 0.248E-02 0.680E-02 RMM: 6 -0.321996086195E+03 0.16443E-04 -0.22709E-05 2553 0.142E-02 2478 T= 7024. E= 0.67483750E+03 F= 0.63427290E+03 E0= 0.66298391E+03 EK= 0.57202E+02 SP= -.17E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322321488572E+03 -0.32539E+00 -0.12581E-01 7696 0.250E+01 0.294E-01 RMM: 2 -0.322351392686E+03 -0.29904E-01 -0.11412E-01 5036 0.807E-01 0.174E+00 RMM: 3 -0.322330533870E+03 0.20859E-01 -0.14800E-02 5393 0.282E-01 0.288E-01 RMM: 4 -0.322329945922E+03 0.58795E-03 -0.15723E-03 4811 0.802E-02 0.926E-02 RMM: 5 -0.322329912823E+03 0.33099E-04 -0.17207E-04 3970 0.321E-02 0.913E-02 RMM: 6 -0.322329867398E+03 0.45426E-04 -0.31001E-05 2656 0.167E-02 0.568E-02 RMM: 7 -0.322329872097E+03 -0.46993E-05 -0.26592E-05 2571 0.162E-02 2479 T= 7106. E= 0.67483570E+03 F= 0.63393912E+03 E0= 0.66264655E+03 EK= 0.57864E+02 SP= -.17E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322451965591E+03 -0.12210E+00 -0.13135E-01 7816 0.251E+01 0.285E-01 RMM: 2 -0.322477340259E+03 -0.25375E-01 -0.12431E-01 4956 0.827E-01 0.147E+00 RMM: 3 -0.322462136071E+03 0.15204E-01 -0.15499E-02 5420 0.278E-01 0.323E-01 RMM: 4 -0.322461447134E+03 0.68894E-03 -0.17062E-03 4961 0.888E-02 0.117E-01 RMM: 5 -0.322461484463E+03 -0.37329E-04 -0.25728E-04 3896 0.384E-02 0.150E-01 RMM: 6 -0.322461334449E+03 0.15001E-03 -0.76789E-05 3539 0.256E-02 0.358E-02 RMM: 7 -0.322461336700E+03 -0.22513E-05 -0.20589E-05 2547 0.136E-02 2480 T= 7160. E= 0.67483561E+03 F= 0.63380765E+03 E0= 0.66251726E+03 EK= 0.58304E+02 SP= -.17E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322373527778E+03 0.87807E-01 -0.14173E-01 8008 0.252E+01 0.237E-01 RMM: 2 -0.322397668994E+03 -0.24141E-01 -0.13538E-01 4961 0.853E-01 0.135E+00 RMM: 3 -0.322384850368E+03 0.12819E-01 -0.15113E-02 5581 0.256E-01 0.198E-01 RMM: 4 -0.322384522756E+03 0.32761E-03 -0.11153E-03 4848 0.702E-02 0.116E-01 RMM: 5 -0.322384444066E+03 0.78689E-04 -0.14724E-04 3916 0.315E-02 0.796E-02 RMM: 6 -0.322384407056E+03 0.37010E-04 -0.32782E-05 2776 0.167E-02 0.520E-02 RMM: 7 -0.322384405564E+03 0.14918E-05 -0.26034E-05 2566 0.158E-02 2481 T= 7185. E= 0.67483703E+03 F= 0.63388458E+03 E0= 0.66260037E+03 EK= 0.58510E+02 SP= -.18E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322107816599E+03 0.27659E+00 -0.14065E-01 8000 0.252E+01 0.185E-01 RMM: 2 -0.322123566331E+03 -0.15750E-01 -0.12673E-01 5048 0.819E-01 0.820E-01 RMM: 3 -0.322118502764E+03 0.50636E-02 -0.13237E-02 5951 0.224E-01 0.171E-01 RMM: 4 -0.322118177492E+03 0.32527E-03 -0.70428E-04 4767 0.599E-02 0.949E-02 RMM: 5 -0.322118124430E+03 0.53062E-04 -0.10076E-04 3755 0.266E-02 0.722E-02 RMM: 6 -0.322118099704E+03 0.24726E-04 -0.24697E-05 2565 0.151E-02 0.458E-02 RMM: 7 -0.322118100965E+03 -0.12612E-05 -0.19657E-05 2517 0.137E-02 2482 T= 7184. E= 0.67484001E+03 F= 0.63415089E+03 E0= 0.66287742E+03 EK= 0.58500E+02 SP= -.18E+02 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321690052114E+03 0.42805E+00 -0.14909E-01 7960 0.251E+01 0.197E-01 RMM: 2 -0.321707791341E+03 -0.17739E-01 -0.14264E-01 4975 0.872E-01 0.871E-01 RMM: 3 -0.321702232703E+03 0.55586E-02 -0.15263E-02 6050 0.233E-01 0.178E-01 RMM: 4 -0.321701855044E+03 0.37766E-03 -0.79529E-04 4726 0.673E-02 0.130E-01 RMM: 5 -0.321701755373E+03 0.99671E-04 -0.12802E-04 3778 0.303E-02 0.782E-02 RMM: 6 -0.321701720544E+03 0.34829E-04 -0.29202E-05 2743 0.165E-02 0.416E-02 RMM: 7 -0.321701719151E+03 0.13936E-05 -0.19370E-05 2512 0.136E-02 2483 T= 7161. E= 0.67484346E+03 F= 0.63456727E+03 E0= 0.66330869E+03 EK= 0.58311E+02 SP= -.18E+02 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321174323774E+03 0.52740E+00 -0.14959E-01 8272 0.251E+01 0.185E-01 RMM: 2 -0.321190290234E+03 -0.15966E-01 -0.13229E-01 5056 0.838E-01 0.797E-01 RMM: 3 -0.321185505290E+03 0.47849E-02 -0.13498E-02 6051 0.225E-01 0.152E-01 RMM: 4 -0.321185214552E+03 0.29074E-03 -0.64035E-04 4785 0.585E-02 0.112E-01 RMM: 5 -0.321185136362E+03 0.78190E-04 -0.99413E-05 3658 0.271E-02 0.706E-02 RMM: 6 -0.321185115284E+03 0.21079E-04 -0.28103E-05 2597 0.160E-02 0.486E-02 RMM: 7 -0.321185118251E+03 -0.29670E-05 -0.25287E-05 2573 0.149E-02 2484 T= 7122. E= 0.67484779E+03 F= 0.63508387E+03 E0= 0.66384355E+03 EK= 0.57994E+02 SP= -.18E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320614387570E+03 0.57073E+00 -0.15393E-01 8400 0.250E+01 0.204E-01 RMM: 2 -0.320633022034E+03 -0.18634E-01 -0.14698E-01 4914 0.901E-01 0.918E-01 RMM: 3 -0.320626933777E+03 0.60883E-02 -0.15708E-02 5987 0.247E-01 0.189E-01 RMM: 4 -0.320626539812E+03 0.39396E-03 -0.83519E-04 4760 0.674E-02 0.115E-01 RMM: 5 -0.320626470713E+03 0.69099E-04 -0.12561E-04 3819 0.297E-02 0.783E-02 RMM: 6 -0.320626437410E+03 0.33303E-04 -0.30233E-05 2714 0.168E-02 0.382E-02 RMM: 7 -0.320626439799E+03 -0.23885E-05 -0.16684E-05 2505 0.128E-02 2485 T= 7074. E= 0.67485201E+03 F= 0.63564255E+03 E0= 0.66442370E+03 EK= 0.57608E+02 SP= -.18E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320070133136E+03 0.55630E+00 -0.15565E-01 8464 0.249E+01 0.184E-01 RMM: 2 -0.320086767613E+03 -0.16634E-01 -0.13972E-01 5069 0.861E-01 0.787E-01 RMM: 3 -0.320081886279E+03 0.48813E-02 -0.13454E-02 6056 0.232E-01 0.150E-01 RMM: 4 -0.320081639575E+03 0.24670E-03 -0.64697E-04 4783 0.587E-02 0.118E-01 RMM: 5 -0.320081554143E+03 0.85432E-04 -0.10499E-04 3705 0.281E-02 0.752E-02 RMM: 6 -0.320081525246E+03 0.28897E-04 -0.30053E-05 2689 0.167E-02 0.432E-02 RMM: 7 -0.320081526598E+03 -0.13525E-05 -0.21631E-05 2529 0.141E-02 2486 T= 7025. E= 0.67485608E+03 F= 0.63618746E+03 E0= 0.66499161E+03 EK= 0.57210E+02 SP= -.19E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319587983553E+03 0.49354E+00 -0.16135E-01 8400 0.248E+01 0.198E-01 RMM: 2 -0.319606801718E+03 -0.18818E-01 -0.15706E-01 4909 0.925E-01 0.847E-01 RMM: 3 -0.319601414841E+03 0.53869E-02 -0.16618E-02 6035 0.254E-01 0.177E-01 RMM: 4 -0.319601030684E+03 0.38416E-03 -0.79521E-04 4855 0.653E-02 0.113E-01 RMM: 5 -0.319600963338E+03 0.67346E-04 -0.12179E-04 3802 0.302E-02 0.771E-02 RMM: 6 -0.319600931306E+03 0.32033E-04 -0.30904E-05 2704 0.170E-02 0.394E-02 RMM: 7 -0.319600933895E+03 -0.25894E-05 -0.17861E-05 2512 0.131E-02 2487 T= 6981. E= 0.67485881E+03 F= 0.63666806E+03 E0= 0.66549564E+03 EK= 0.56853E+02 SP= -.19E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319211120049E+03 0.38981E+00 -0.16046E-01 8392 0.247E+01 0.193E-01 RMM: 2 -0.319230091705E+03 -0.18972E-01 -0.15594E-01 4991 0.909E-01 0.855E-01 RMM: 3 -0.319224360824E+03 0.57309E-02 -0.15437E-02 6025 0.249E-01 0.171E-01 RMM: 4 -0.319224040510E+03 0.32031E-03 -0.75791E-04 4845 0.631E-02 0.112E-01 RMM: 5 -0.319223975046E+03 0.65464E-04 -0.12035E-04 3793 0.308E-02 0.791E-02 RMM: 6 -0.319223940683E+03 0.34363E-04 -0.32974E-05 2799 0.174E-02 0.428E-02 RMM: 7 -0.319223943748E+03 -0.30651E-05 -0.21763E-05 2530 0.145E-02 2488 T= 6948. E= 0.67486131E+03 F= 0.63704505E+03 E0= 0.66589387E+03 EK= 0.56579E+02 SP= -.19E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318966349215E+03 0.25759E+00 -0.16521E-01 8384 0.247E+01 0.215E-01 RMM: 2 -0.318987205659E+03 -0.20856E-01 -0.16333E-01 4930 0.945E-01 0.967E-01 RMM: 3 -0.318980281656E+03 0.69240E-02 -0.17105E-02 5893 0.263E-01 0.212E-01 RMM: 4 -0.318979809917E+03 0.47174E-03 -0.95265E-04 4895 0.696E-02 0.102E-01 RMM: 5 -0.318979767207E+03 0.42709E-04 -0.14294E-04 3892 0.317E-02 0.869E-02 RMM: 6 -0.318979724389E+03 0.42818E-04 -0.35890E-05 2918 0.183E-02 0.423E-02 RMM: 7 -0.318979726811E+03 -0.24225E-05 -0.17670E-05 2509 0.132E-02 2489 T= 6928. E= 0.67486295E+03 F= 0.63728926E+03 E0= 0.66615550E+03 EK= 0.56418E+02 SP= -.19E+02 SK= 0.93E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318871621077E+03 0.10810E+00 -0.15342E-01 8504 0.247E+01 0.219E-01 RMM: 2 -0.318891899556E+03 -0.20278E-01 -0.14112E-01 5006 0.867E-01 0.107E+00 RMM: 3 -0.318883381540E+03 0.85180E-02 -0.14524E-02 5765 0.252E-01 0.208E-01 RMM: 4 -0.318883007207E+03 0.37433E-03 -0.90333E-04 4832 0.661E-02 0.106E-01 RMM: 5 -0.318882957084E+03 0.50123E-04 -0.13393E-04 3859 0.314E-02 0.838E-02 RMM: 6 -0.318882917228E+03 0.39856E-04 -0.34285E-05 2880 0.176E-02 0.453E-02 RMM: 7 -0.318882923790E+03 -0.65626E-05 -0.22930E-05 2545 0.148E-02 2490 T= 6924. E= 0.67486362E+03 F= 0.63738607E+03 E0= 0.66626383E+03 EK= 0.56386E+02 SP= -.19E+02 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318924090216E+03 -0.41173E-01 -0.14747E-01 8448 0.248E+01 0.231E-01 RMM: 2 -0.318942915695E+03 -0.18825E-01 -0.13227E-01 5036 0.851E-01 0.105E+00 RMM: 3 -0.318935014796E+03 0.79009E-02 -0.13801E-02 5747 0.250E-01 0.227E-01 RMM: 4 -0.318934587782E+03 0.42701E-03 -0.96644E-04 4837 0.684E-02 0.106E-01 RMM: 5 -0.318934549797E+03 0.37985E-04 -0.14931E-04 3861 0.321E-02 0.965E-02 RMM: 6 -0.318934495399E+03 0.54398E-04 -0.42638E-05 3073 0.197E-02 0.431E-02 RMM: 7 -0.318934498019E+03 -0.26208E-05 -0.18177E-05 2517 0.133E-02 2491 T= 6936. E= 0.67486333E+03 F= 0.63733449E+03 E0= 0.66621751E+03 EK= 0.56483E+02 SP= -.19E+02 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319112394951E+03 -0.17790E+00 -0.14678E-01 8064 0.249E+01 0.223E-01 RMM: 2 -0.319132950065E+03 -0.20555E-01 -0.13552E-01 4993 0.855E-01 0.113E+00 RMM: 3 -0.319123719828E+03 0.92302E-02 -0.14266E-02 5764 0.249E-01 0.205E-01 RMM: 4 -0.319123349935E+03 0.36989E-03 -0.91039E-04 4813 0.665E-02 0.112E-01 RMM: 5 -0.319123284731E+03 0.65205E-04 -0.13522E-04 3855 0.315E-02 0.805E-02 RMM: 6 -0.319123249487E+03 0.35244E-04 -0.34036E-05 2860 0.174E-02 0.475E-02 RMM: 7 -0.319123256816E+03 -0.73293E-05 -0.24851E-05 2565 0.149E-02 2492 T= 6963. E= 0.67486208E+03 F= 0.63714573E+03 E0= 0.66602800E+03 EK= 0.56700E+02 SP= -.19E+02 SK= 0.67E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319415406706E+03 -0.29216E+00 -0.14482E-01 8176 0.250E+01 0.210E-01 RMM: 2 -0.319433470789E+03 -0.18064E-01 -0.13836E-01 4993 0.863E-01 0.937E-01 RMM: 3 -0.319427116028E+03 0.63548E-02 -0.14675E-02 5830 0.242E-01 0.194E-01 RMM: 4 -0.319426755836E+03 0.36019E-03 -0.86314E-04 4831 0.652E-02 0.115E-01 RMM: 5 -0.319426695955E+03 0.59880E-04 -0.14088E-04 3849 0.312E-02 0.926E-02 RMM: 6 -0.319426646374E+03 0.49581E-04 -0.43210E-05 3072 0.197E-02 0.413E-02 RMM: 7 -0.319426648787E+03 -0.24130E-05 -0.20290E-05 2528 0.138E-02 2493 T= 7001. E= 0.67485976E+03 F= 0.63684234E+03 E0= 0.66571957E+03 EK= 0.57011E+02 SP= -.19E+02 SK= 0.10E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.319799553434E+03 -0.37291E+00 -0.14862E-01 7952 0.251E+01 0.212E-01 RMM: 2 -0.319820288342E+03 -0.20735E-01 -0.15053E-01 5002 0.901E-01 0.104E+00 RMM: 3 -0.319812411547E+03 0.78768E-02 -0.15881E-02 5913 0.243E-01 0.196E-01 RMM: 4 -0.319811965855E+03 0.44569E-03 -0.86643E-04 4782 0.679E-02 0.112E-01 RMM: 5 -0.319811895448E+03 0.70407E-04 -0.13702E-04 3872 0.308E-02 0.786E-02 RMM: 6 -0.319811862893E+03 0.32555E-04 -0.33411E-05 2845 0.175E-02 0.467E-02 RMM: 7 -0.319811867433E+03 -0.45408E-05 -0.26865E-05 2573 0.152E-02 2494 T= 7046. E= 0.67485658E+03 F= 0.63645712E+03 E0= 0.66532666E+03 EK= 0.57382E+02 SP= -.19E+02 SK= 0.83E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.320232591017E+03 -0.42073E+00 -0.14237E-01 7896 0.252E+01 0.197E-01 RMM: 2 -0.320248797960E+03 -0.16207E-01 -0.12494E-01 5177 0.811E-01 0.885E-01 RMM: 3 -0.320242975781E+03 0.58222E-02 -0.11922E-02 5858 0.217E-01 0.176E-01 RMM: 4 -0.320242726296E+03 0.24949E-03 -0.71065E-04 4742 0.593E-02 0.122E-01 RMM: 5 -0.320242628681E+03 0.97615E-04 -0.11332E-04 3725 0.275E-02 0.779E-02 RMM: 6 -0.320242597191E+03 0.31490E-04 -0.33482E-05 2893 0.177E-02 0.431E-02 RMM: 7 -0.320242595386E+03 0.18045E-05 -0.28116E-05 2578 0.157E-02 2495 T= 7095. E= 0.67485346E+03 F= 0.63602639E+03 E0= 0.66488784E+03 EK= 0.57777E+02 SP= -.19E+02 SK= 0.36E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320678425988E+03 -0.43583E+00 -0.13856E-01 7872 0.254E+01 0.195E-01 RMM: 2 -0.320694024375E+03 -0.15598E-01 -0.11793E-01 5315 0.779E-01 0.891E-01 RMM: 3 -0.320687894756E+03 0.61296E-02 -0.99162E-03 5935 0.198E-01 0.173E-01 RMM: 4 -0.320687642490E+03 0.25227E-03 -0.66303E-04 4665 0.594E-02 0.120E-01 RMM: 5 -0.320687552598E+03 0.89891E-04 -0.11333E-04 3739 0.273E-02 0.805E-02 RMM: 6 -0.320687518667E+03 0.33932E-04 -0.29869E-05 2800 0.172E-02 0.457E-02 RMM: 7 -0.320687520690E+03 -0.20235E-05 -0.23109E-05 2529 0.139E-02 2496 T= 7142. E= 0.67485117E+03 F= 0.63558147E+03 E0= 0.66443530E+03 EK= 0.58161E+02 SP= -.19E+02 SK= 0.87E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321118174788E+03 -0.43066E+00 -0.13930E-01 7728 0.254E+01 0.192E-01 RMM: 2 -0.321133005074E+03 -0.14830E-01 -0.11994E-01 5215 0.793E-01 0.810E-01 RMM: 3 -0.321128104950E+03 0.49001E-02 -0.11109E-02 5918 0.206E-01 0.165E-01 RMM: 4 -0.321127864392E+03 0.24056E-03 -0.63588E-04 4747 0.561E-02 0.119E-01 RMM: 5 -0.321127766780E+03 0.97612E-04 -0.95971E-05 3663 0.254E-02 0.746E-02 RMM: 6 -0.321127740705E+03 0.26075E-04 -0.28564E-05 2701 0.165E-02 0.459E-02 RMM: 7 -0.321127739228E+03 0.14772E-05 -0.33782E-05 2620 0.168E-02 2497 T= 7185. E= 0.67484984E+03 F= 0.63514125E+03 E0= 0.66398872E+03 EK= 0.58513E+02 SP= -.19E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321550527355E+03 -0.42279E+00 -0.13867E-01 7784 0.255E+01 0.165E-01 RMM: 2 -0.321563119733E+03 -0.12592E-01 -0.11634E-01 5248 0.779E-01 0.589E-01 RMM: 3 -0.321560157473E+03 0.29623E-02 -0.10277E-02 6167 0.189E-01 0.120E-01 RMM: 4 -0.321560026760E+03 0.13071E-03 -0.50690E-04 4566 0.536E-02 0.147E-01 RMM: 5 -0.321559875444E+03 0.15132E-03 -0.99500E-05 3650 0.272E-02 0.664E-02 RMM: 6 -0.321559857394E+03 0.18050E-04 -0.26305E-05 2639 0.157E-02 2498 T= 7224. E= 0.67485067E+03 F= 0.63470913E+03 E0= 0.66355108E+03 EK= 0.58831E+02 SP= -.19E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321987868921E+03 -0.42799E+00 -0.14375E-01 7864 0.254E+01 0.223E-01 RMM: 2 -0.322009001471E+03 -0.21133E-01 -0.13802E-01 5056 0.863E-01 0.113E+00 RMM: 3 -0.321999616717E+03 0.93848E-02 -0.14811E-02 5592 0.247E-01 0.219E-01 RMM: 4 -0.321999197837E+03 0.41888E-03 -0.99639E-04 4845 0.674E-02 0.946E-02 RMM: 5 -0.321999144945E+03 0.52892E-04 -0.13546E-04 4109 0.293E-02 0.821E-02 RMM: 6 -0.321999113166E+03 0.31779E-04 -0.29549E-05 2685 0.164E-02 0.595E-02 RMM: 7 -0.321999119465E+03 -0.62985E-05 -0.34775E-05 2803 0.177E-02 2499 T= 7260. E= 0.67485193E+03 F= 0.63426987E+03 E0= 0.66310654E+03 EK= 0.59124E+02 SP= -.19E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322460564086E+03 -0.46145E+00 -0.13760E-01 7744 0.255E+01 0.299E-01 RMM: 2 -0.322485931985E+03 -0.25368E-01 -0.11959E-01 5091 0.841E-01 0.153E+00 RMM: 3 -0.322469931765E+03 0.16000E-01 -0.13785E-02 5455 0.266E-01 0.305E-01 RMM: 4 -0.322469266666E+03 0.66510E-03 -0.15471E-03 4849 0.871E-02 0.120E-01 RMM: 5 -0.322469270712E+03 -0.40464E-05 -0.23414E-04 3895 0.370E-02 0.130E-01 RMM: 6 -0.322469160327E+03 0.11039E-03 -0.64549E-05 3384 0.240E-02 0.384E-02 RMM: 7 -0.322469157717E+03 0.26098E-05 -0.18110E-05 2520 0.129E-02 2500 T= 7296. E= 0.67485341E+03 F= 0.63379983E+03 E0= 0.66263041E+03 EK= 0.59415E+02 SP= -.18E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322986597992E+03 -0.51744E+00 -0.13972E-01 7912 0.254E+01 0.257E-01 RMM: 2 -0.323006999021E+03 -0.20401E-01 -0.12574E-01 5121 0.833E-01 0.120E+00 RMM: 3 -0.322996839448E+03 0.10160E-01 -0.13791E-02 5536 0.253E-01 0.234E-01 RMM: 4 -0.322996423157E+03 0.41629E-03 -0.11326E-03 4785 0.702E-02 0.107E-01 RMM: 5 -0.322996363695E+03 0.59463E-04 -0.15585E-04 3924 0.318E-02 0.967E-02 RMM: 6 -0.322996304365E+03 0.59330E-04 -0.42108E-05 3044 0.192E-02 0.480E-02 RMM: 7 -0.322996308374E+03 -0.40094E-05 -0.30256E-05 2591 0.162E-02 2501 T= 7334. E= 0.67485428E+03 F= 0.63327268E+03 E0= 0.66209554E+03 EK= 0.59728E+02 SP= -.18E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323591603086E+03 -0.59530E+00 -0.14004E-01 7896 0.254E+01 0.266E-01 RMM: 2 -0.323614063288E+03 -0.22460E-01 -0.12625E-01 5031 0.854E-01 0.133E+00 RMM: 3 -0.323601826379E+03 0.12237E-01 -0.14337E-02 5538 0.259E-01 0.244E-01 RMM: 4 -0.323601361328E+03 0.46505E-03 -0.11974E-03 4822 0.720E-02 0.102E-01 RMM: 5 -0.323601337855E+03 0.23473E-04 -0.17093E-04 3900 0.344E-02 0.970E-02 RMM: 6 -0.323601279219E+03 0.58636E-04 -0.45395E-05 3126 0.196E-02 0.389E-02 RMM: 7 -0.323601283258E+03 -0.40385E-05 -0.19468E-05 2523 0.139E-02 2502 T= 7378. E= 0.67485335E+03 F= 0.63266771E+03 E0= 0.66148049E+03 EK= 0.60079E+02 SP= -.18E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324273149394E+03 -0.67187E+00 -0.13499E-01 7904 0.254E+01 0.224E-01 RMM: 2 -0.324291232458E+03 -0.18083E-01 -0.12808E-01 5096 0.832E-01 0.102E+00 RMM: 3 -0.324283993576E+03 0.72389E-02 -0.13845E-02 5761 0.230E-01 0.194E-01 RMM: 4 -0.324283644473E+03 0.34910E-03 -0.93474E-04 4746 0.672E-02 0.126E-01 RMM: 5 -0.324283549469E+03 0.95004E-04 -0.15067E-04 3899 0.314E-02 0.870E-02 RMM: 6 -0.324283502953E+03 0.46516E-04 -0.41841E-05 3076 0.190E-02 0.430E-02 RMM: 7 -0.324283502885E+03 0.68232E-07 -0.26534E-05 2555 0.153E-02 2503 T= 7425. E= 0.67485108E+03 F= 0.63198549E+03 E0= 0.66078657E+03 EK= 0.60466E+02 SP= -.18E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325007162186E+03 -0.72366E+00 -0.13725E-01 7912 0.254E+01 0.243E-01 RMM: 2 -0.325029203837E+03 -0.22042E-01 -0.13138E-01 5060 0.849E-01 0.126E+00 RMM: 3 -0.325018169232E+03 0.11035E-01 -0.14615E-02 5643 0.245E-01 0.228E-01 RMM: 4 -0.325017708868E+03 0.46036E-03 -0.10801E-03 4799 0.701E-02 0.103E-01 RMM: 5 -0.325017663404E+03 0.45464E-04 -0.16202E-04 3917 0.324E-02 0.874E-02 RMM: 6 -0.325017618257E+03 0.45147E-04 -0.40622E-05 3043 0.186E-02 0.432E-02 RMM: 7 -0.325017624945E+03 -0.66875E-05 -0.25713E-05 2563 0.153E-02 2504 T= 7474. E= 0.67484680E+03 F= 0.63125136E+03 E0= 0.66003966E+03 EK= 0.60860E+02 SP= -.17E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325744062076E+03 -0.72644E+00 -0.13609E-01 7928 0.254E+01 0.216E-01 RMM: 2 -0.325760890853E+03 -0.16829E-01 -0.11907E-01 5108 0.803E-01 0.998E-01 RMM: 3 -0.325754056468E+03 0.68344E-02 -0.12568E-02 5785 0.223E-01 0.193E-01 RMM: 4 -0.325753739617E+03 0.31685E-03 -0.86794E-04 4732 0.650E-02 0.122E-01 RMM: 5 -0.325753646151E+03 0.93466E-04 -0.14119E-04 3865 0.302E-02 0.813E-02 RMM: 6 -0.325753608830E+03 0.37321E-04 -0.37085E-05 3005 0.180E-02 0.417E-02 RMM: 7 -0.325753610684E+03 -0.18536E-05 -0.23833E-05 2556 0.145E-02 2505 T= 7517. E= 0.67484121E+03 F= 0.63051538E+03 E0= 0.65929036E+03 EK= 0.61210E+02 SP= -.17E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326417140769E+03 -0.66353E+00 -0.13670E-01 8152 0.255E+01 0.215E-01 RMM: 2 -0.326434523554E+03 -0.17383E-01 -0.11985E-01 5107 0.801E-01 0.102E+00 RMM: 3 -0.326427238865E+03 0.72847E-02 -0.12689E-02 5829 0.225E-01 0.200E-01 RMM: 4 -0.326426877282E+03 0.36158E-03 -0.88415E-04 4741 0.645E-02 0.114E-01 RMM: 5 -0.326426810834E+03 0.66447E-04 -0.14388E-04 3876 0.308E-02 0.852E-02 RMM: 6 -0.326426767415E+03 0.43419E-04 -0.36889E-05 2997 0.180E-02 0.440E-02 RMM: 7 -0.326426771997E+03 -0.45818E-05 -0.30071E-05 2594 0.160E-02 2506 T= 7546. E= 0.67483608E+03 F= 0.62984222E+03 E0= 0.65860379E+03 EK= 0.61451E+02 SP= -.17E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326968054551E+03 -0.54129E+00 -0.14285E-01 8240 0.255E+01 0.207E-01 RMM: 2 -0.326985156992E+03 -0.17102E-01 -0.13361E-01 5021 0.846E-01 0.897E-01 RMM: 3 -0.326979409137E+03 0.57479E-02 -0.14574E-02 5921 0.233E-01 0.173E-01 RMM: 4 -0.326979064533E+03 0.34460E-03 -0.81860E-04 4880 0.625E-02 0.112E-01 RMM: 5 -0.326978989719E+03 0.74814E-04 -0.12579E-04 3824 0.294E-02 0.798E-02 RMM: 6 -0.326978955686E+03 0.34033E-04 -0.34009E-05 2903 0.173E-02 0.441E-02 RMM: 7 -0.326978957950E+03 -0.22645E-05 -0.27331E-05 2583 0.156E-02 2507 T= 7555. E= 0.67483268E+03 F= 0.62929003E+03 E0= 0.65803855E+03 EK= 0.61525E+02 SP= -.16E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327365431322E+03 -0.38648E+00 -0.14229E-01 8448 0.255E+01 0.199E-01 RMM: 2 -0.327382487481E+03 -0.17056E-01 -0.12475E-01 5031 0.802E-01 0.927E-01 RMM: 3 -0.327375990605E+03 0.64969E-02 -0.12817E-02 5830 0.227E-01 0.199E-01 RMM: 4 -0.327375630200E+03 0.36040E-03 -0.81102E-04 4725 0.633E-02 0.103E-01 RMM: 5 -0.327375573300E+03 0.56901E-04 -0.12657E-04 3798 0.294E-02 0.796E-02 RMM: 6 -0.327375538453E+03 0.34847E-04 -0.31723E-05 2843 0.169E-02 0.443E-02 RMM: 7 -0.327375544098E+03 -0.56456E-05 -0.26958E-05 2568 0.156E-02 2508 T= 7540. E= 0.67483200E+03 F= 0.62889345E+03 E0= 0.65762926E+03 EK= 0.61400E+02 SP= -.16E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327609323315E+03 -0.23378E+00 -0.14451E-01 8568 0.255E+01 0.224E-01 RMM: 2 -0.327627201325E+03 -0.17878E-01 -0.12366E-01 5083 0.799E-01 0.101E+00 RMM: 3 -0.327619407782E+03 0.77935E-02 -0.12666E-02 5709 0.237E-01 0.205E-01 RMM: 4 -0.327619065879E+03 0.34190E-03 -0.91526E-04 4882 0.629E-02 0.891E-02 RMM: 5 -0.327619030748E+03 0.35131E-04 -0.12252E-04 3788 0.288E-02 0.853E-02 RMM: 6 -0.327618990144E+03 0.40604E-04 -0.32528E-05 2846 0.173E-02 0.414E-02 RMM: 7 -0.327618995562E+03 -0.54177E-05 -0.20462E-05 2529 0.140E-02 2509 T= 7500. E= 0.67483364E+03 F= 0.62864999E+03 E0= 0.65737406E+03 EK= 0.61079E+02 SP= -.15E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327734085515E+03 -0.11510E+00 -0.14619E-01 8400 0.254E+01 0.212E-01 RMM: 2 -0.327753723705E+03 -0.19638E-01 -0.13793E-01 4999 0.834E-01 0.102E+00 RMM: 3 -0.327745631656E+03 0.80920E-02 -0.14107E-02 5758 0.244E-01 0.210E-01 RMM: 4 -0.327745233660E+03 0.39800E-03 -0.92883E-04 4807 0.659E-02 0.940E-02 RMM: 5 -0.327745201642E+03 0.32018E-04 -0.13533E-04 3838 0.302E-02 0.837E-02 RMM: 6 -0.327745161088E+03 0.40554E-04 -0.31723E-05 2803 0.169E-02 0.412E-02 RMM: 7 -0.327745166408E+03 -0.53203E-05 -0.20855E-05 2527 0.145E-02 2510 T= 7442. E= 0.67483631E+03 F= 0.62852382E+03 E0= 0.65723772E+03 EK= 0.60602E+02 SP= -.15E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327793142838E+03 -0.47982E-01 -0.14220E-01 8400 0.254E+01 0.222E-01 RMM: 2 -0.327813596356E+03 -0.20454E-01 -0.13753E-01 5090 0.827E-01 0.109E+00 RMM: 3 -0.327804368094E+03 0.92283E-02 -0.13860E-02 5640 0.247E-01 0.187E-01 RMM: 4 -0.327804076424E+03 0.29167E-03 -0.98242E-04 5002 0.640E-02 0.998E-02 RMM: 5 -0.327804025968E+03 0.50455E-04 -0.12340E-04 3816 0.294E-02 0.818E-02 RMM: 6 -0.327803987846E+03 0.38123E-04 -0.31414E-05 2777 0.170E-02 0.406E-02 RMM: 7 -0.327803993355E+03 -0.55092E-05 -0.21631E-05 2531 0.145E-02 2511 T= 7371. E= 0.67483875E+03 F= 0.62846500E+03 E0= 0.65717124E+03 EK= 0.60022E+02 SP= -.14E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327830181052E+03 -0.26193E-01 -0.13735E-01 8296 0.253E+01 0.188E-01 RMM: 2 -0.327848330383E+03 -0.18149E-01 -0.13569E-01 5053 0.824E-01 0.927E-01 RMM: 3 -0.327841544253E+03 0.67861E-02 -0.13309E-02 5834 0.233E-01 0.158E-01 RMM: 4 -0.327841305814E+03 0.23844E-03 -0.75018E-04 4860 0.595E-02 0.111E-01 RMM: 5 -0.327841227105E+03 0.78709E-04 -0.10318E-04 3703 0.284E-02 0.657E-02 RMM: 6 -0.327841207088E+03 0.20017E-04 -0.28532E-05 2656 0.160E-02 0.446E-02 RMM: 7 -0.327841211103E+03 -0.40153E-05 -0.30171E-05 2603 0.166E-02 2512 T= 7293. E= 0.67483974E+03 F= 0.62842778E+03 E0= 0.65712970E+03 EK= 0.59387E+02 SP= -.14E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327872201351E+03 -0.30994E-01 -0.13664E-01 8160 0.253E+01 0.182E-01 RMM: 2 -0.327888707439E+03 -0.16506E-01 -0.13537E-01 5035 0.835E-01 0.798E-01 RMM: 3 -0.327883599847E+03 0.51076E-02 -0.13538E-02 6026 0.226E-01 0.129E-01 RMM: 4 -0.327883412300E+03 0.18755E-03 -0.64588E-04 4843 0.574E-02 0.131E-01 RMM: 5 -0.327883292294E+03 0.12001E-03 -0.96883E-05 3642 0.274E-02 0.638E-02 RMM: 6 -0.327883274047E+03 0.18247E-04 -0.27865E-05 2608 0.158E-02 2513 T= 7212. E= 0.67483932E+03 F= 0.62838572E+03 E0= 0.65708656E+03 EK= 0.58730E+02 SP= -.13E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327918750513E+03 -0.35458E-01 -0.12988E-01 8072 0.252E+01 0.196E-01 RMM: 2 -0.327935845417E+03 -0.17095E-01 -0.12682E-01 5128 0.809E-01 0.927E-01 RMM: 3 -0.327929387634E+03 0.64578E-02 -0.12746E-02 5902 0.224E-01 0.175E-01 RMM: 4 -0.327929061898E+03 0.32574E-03 -0.71311E-04 4946 0.568E-02 0.904E-02 RMM: 5 -0.327929007135E+03 0.54764E-04 -0.87434E-05 3653 0.255E-02 0.719E-02 RMM: 6 -0.327928989294E+03 0.17840E-04 -0.26305E-05 2602 0.154E-02 2514 T= 7129. E= 0.67483814E+03 F= 0.62834000E+03 E0= 0.65704316E+03 EK= 0.58053E+02 SP= -.12E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327946918157E+03 -0.17911E-01 -0.12738E-01 7688 0.251E+01 0.338E-01 RMM: 2 -0.327983062810E+03 -0.36145E-01 -0.12723E-01 5108 0.858E-01 0.193E+00 RMM: 3 -0.327956600466E+03 0.26462E-01 -0.16940E-02 5401 0.308E-01 0.310E-01 RMM: 4 -0.327955915272E+03 0.68519E-03 -0.18548E-03 4966 0.857E-02 0.912E-02 RMM: 5 -0.327955879405E+03 0.35866E-04 -0.18676E-04 3980 0.325E-02 0.101E-01 RMM: 6 -0.327955824259E+03 0.55146E-04 -0.34637E-05 2808 0.177E-02 0.597E-02 RMM: 7 -0.327955833583E+03 -0.93242E-05 -0.33855E-05 2837 0.176E-02 2515 T= 7041. E= 0.67483660E+03 F= 0.62831316E+03 E0= 0.65702053E+03 EK= 0.57339E+02 SP= -.12E+02 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327925195344E+03 0.30629E-01 -0.12519E-01 7568 0.250E+01 0.359E-01 RMM: 2 -0.327957704309E+03 -0.32509E-01 -0.13396E-01 5021 0.884E-01 0.177E+00 RMM: 3 -0.327935812306E+03 0.21892E-01 -0.17779E-02 5404 0.308E-01 0.410E-01 RMM: 4 -0.327934630566E+03 0.11817E-02 -0.22817E-03 5045 0.103E-01 0.108E-01 RMM: 5 -0.327934698130E+03 -0.67563E-04 -0.32809E-04 3941 0.403E-02 0.159E-01 RMM: 6 -0.327934530952E+03 0.16718E-03 -0.86002E-05 3588 0.264E-02 0.422E-02 RMM: 7 -0.327934528101E+03 0.28511E-05 -0.23503E-05 2582 0.145E-02 2516 T= 6946. E= 0.67483618E+03 F= 0.62833446E+03 E0= 0.65704776E+03 EK= 0.56566E+02 SP= -.11E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327833811569E+03 0.10072E+00 -0.11939E-01 7512 0.248E+01 0.285E-01 RMM: 2 -0.327858568187E+03 -0.24757E-01 -0.14124E-01 4998 0.902E-01 0.138E+00 RMM: 3 -0.327845430756E+03 0.13137E-01 -0.16949E-02 5549 0.277E-01 0.256E-01 RMM: 4 -0.327844899260E+03 0.53150E-03 -0.13942E-03 4913 0.761E-02 0.989E-02 RMM: 5 -0.327844846710E+03 0.52551E-04 -0.17326E-04 3981 0.318E-02 0.984E-02 RMM: 6 -0.327844789477E+03 0.57233E-04 -0.35254E-05 2873 0.175E-02 0.542E-02 RMM: 7 -0.327844788324E+03 0.11536E-05 -0.29719E-05 2624 0.161E-02 2517 T= 6842. E= 0.67483615E+03 F= 0.62842420E+03 E0= 0.65714465E+03 EK= 0.55717E+02 SP= -.10E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327668856607E+03 0.17593E+00 -0.11489E-01 7664 0.246E+01 0.250E-01 RMM: 2 -0.327688502948E+03 -0.19646E-01 -0.12714E-01 4927 0.857E-01 0.114E+00 RMM: 3 -0.327679369532E+03 0.91334E-02 -0.14991E-02 5657 0.254E-01 0.216E-01 RMM: 4 -0.327678974017E+03 0.39552E-03 -0.10990E-03 4973 0.680E-02 0.979E-02 RMM: 5 -0.327678923040E+03 0.50977E-04 -0.13957E-04 3904 0.302E-02 0.829E-02 RMM: 6 -0.327678884621E+03 0.38419E-04 -0.31680E-05 2788 0.168E-02 0.452E-02 RMM: 7 -0.327678886552E+03 -0.19314E-05 -0.19020E-05 2526 0.137E-02 2518 T= 6728. E= 0.67483771E+03 F= 0.62859010E+03 E0= 0.65731927E+03 EK= 0.54791E+02 SP= -.96E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327435095288E+03 0.24379E+00 -0.12162E-01 7656 0.244E+01 0.204E-01 RMM: 2 -0.327453086653E+03 -0.17991E-01 -0.14528E-01 4829 0.904E-01 0.869E-01 RMM: 3 -0.327447759388E+03 0.53273E-02 -0.17020E-02 5953 0.243E-01 0.175E-01 RMM: 4 -0.327447356364E+03 0.40302E-03 -0.84469E-04 4884 0.657E-02 0.114E-01 RMM: 5 -0.327447269054E+03 0.87309E-04 -0.12228E-04 3943 0.291E-02 0.767E-02 RMM: 6 -0.327447238149E+03 0.30905E-04 -0.29163E-05 2624 0.161E-02 0.473E-02 RMM: 7 -0.327447234542E+03 0.36072E-05 -0.33178E-05 2635 0.172E-02 2519 T= 6607. E= 0.67484008E+03 F= 0.62882175E+03 E0= 0.65756210E+03 EK= 0.53805E+02 SP= -.89E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327163621800E+03 0.28362E+00 -0.10999E-01 7728 0.241E+01 0.200E-01 RMM: 2 -0.327177907716E+03 -0.14286E-01 -0.10793E-01 4991 0.784E-01 0.868E-01 RMM: 3 -0.327172666662E+03 0.52411E-02 -0.12007E-02 5851 0.216E-01 0.182E-01 RMM: 4 -0.327172356168E+03 0.31049E-03 -0.70911E-04 4744 0.596E-02 0.105E-01 RMM: 5 -0.327172295488E+03 0.60680E-04 -0.10676E-04 3695 0.267E-02 0.840E-02 RMM: 6 -0.327172257071E+03 0.38416E-04 -0.33191E-05 2881 0.177E-02 0.445E-02 RMM: 7 -0.327172261143E+03 -0.40720E-05 -0.26458E-05 2574 0.154E-02 2520 T= 6482. E= 0.67484243E+03 F= 0.62909673E+03 E0= 0.65785218E+03 EK= 0.52786E+02 SP= -.81E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326875002718E+03 0.29725E+00 -0.10936E-01 7776 0.239E+01 0.184E-01 RMM: 2 -0.326888188109E+03 -0.13185E-01 -0.10071E-01 5054 0.736E-01 0.815E-01 RMM: 3 -0.326883347921E+03 0.48402E-02 -0.10292E-02 5857 0.203E-01 0.177E-01 RMM: 4 -0.326883078544E+03 0.26938E-03 -0.63177E-04 4683 0.570E-02 0.102E-01 RMM: 5 -0.326883013082E+03 0.65462E-04 -0.89620E-05 3586 0.252E-02 0.707E-02 RMM: 6 -0.326882988438E+03 0.24643E-04 -0.25088E-05 2590 0.155E-02 0.418E-02 RMM: 7 -0.326882992335E+03 -0.38967E-05 -0.24527E-05 2573 0.146E-02 2521 T= 6357. E= 0.67484520E+03 F= 0.62938600E+03 E0= 0.65816136E+03 EK= 0.51767E+02 SP= -.74E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326607538768E+03 0.27545E+00 -0.11041E-01 7848 0.236E+01 0.165E-01 RMM: 2 -0.326620239128E+03 -0.12700E-01 -0.10868E-01 5005 0.756E-01 0.677E-01 RMM: 3 -0.326616627914E+03 0.36112E-02 -0.11084E-02 6018 0.205E-01 0.158E-01 RMM: 4 -0.326616369095E+03 0.25882E-03 -0.56207E-04 4672 0.553E-02 0.102E-01 RMM: 5 -0.326616303820E+03 0.65275E-04 -0.84701E-05 3525 0.256E-02 0.725E-02 RMM: 6 -0.326616277272E+03 0.26548E-04 -0.27515E-05 2645 0.164E-02 0.416E-02 RMM: 7 -0.326616277789E+03 -0.51673E-06 -0.27503E-05 2607 0.149E-02 2522 T= 6237. E= 0.67484817E+03 F= 0.62965271E+03 E0= 0.65845341E+03 EK= 0.50791E+02 SP= -.67E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326404899979E+03 0.21138E+00 -0.11090E-01 7960 0.234E+01 0.174E-01 RMM: 2 -0.326418051003E+03 -0.13151E-01 -0.10432E-01 5089 0.728E-01 0.760E-01 RMM: 3 -0.326413433327E+03 0.46177E-02 -0.10134E-02 5957 0.203E-01 0.171E-01 RMM: 4 -0.326413172540E+03 0.26079E-03 -0.58362E-04 4669 0.550E-02 0.951E-02 RMM: 5 -0.326413120216E+03 0.52324E-04 -0.81746E-05 3511 0.250E-02 0.709E-02 RMM: 6 -0.326413095578E+03 0.24638E-04 -0.24832E-05 2578 0.155E-02 0.418E-02 RMM: 7 -0.326413098337E+03 -0.27596E-05 -0.19954E-05 2525 0.133E-02 2523 T= 6128. E= 0.67485139E+03 F= 0.62985589E+03 E0= 0.65868613E+03 EK= 0.49901E+02 SP= -.59E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326305776553E+03 0.10732E+00 -0.11427E-01 8344 0.231E+01 0.156E-01 RMM: 2 -0.326317765634E+03 -0.11989E-01 -0.10213E-01 5217 0.700E-01 0.655E-01 RMM: 3 -0.326313965493E+03 0.38001E-02 -0.89200E-03 5916 0.194E-01 0.145E-01 RMM: 4 -0.326313809085E+03 0.15641E-03 -0.52009E-04 4631 0.505E-02 0.102E-01 RMM: 5 -0.326313743580E+03 0.65505E-04 -0.72802E-05 3430 0.242E-02 0.650E-02 RMM: 6 -0.326313723796E+03 0.19784E-04 -0.23844E-05 2563 0.151E-02 2524 T= 6034. E= 0.67485396E+03 F= 0.62995527E+03 E0= 0.65881889E+03 EK= 0.49138E+02 SP= -.52E+01 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326342646574E+03 -0.28903E-01 -0.11818E-01 8456 0.229E+01 0.185E-01 RMM: 2 -0.326357649310E+03 -0.15003E-01 -0.10433E-01 5260 0.706E-01 0.907E-01 RMM: 3 -0.326351127685E+03 0.65216E-02 -0.96851E-03 5627 0.208E-01 0.205E-01 RMM: 4 -0.326350808750E+03 0.31893E-03 -0.70919E-04 4753 0.562E-02 0.805E-02 RMM: 5 -0.326350768902E+03 0.39848E-04 -0.77957E-05 3649 0.227E-02 0.674E-02 RMM: 6 -0.326350757282E+03 0.11620E-04 -0.21214E-05 2542 0.139E-02 2525 T= 5960. E= 0.67485603E+03 F= 0.62991823E+03 E0= 0.65881702E+03 EK= 0.48538E+02 SP= -.45E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326540088454E+03 -0.18932E+00 -0.11902E-01 8432 0.228E+01 0.319E-01 RMM: 2 -0.326572175530E+03 -0.32087E-01 -0.10462E-01 5225 0.741E-01 0.188E+00 RMM: 3 -0.326548014966E+03 0.24161E-01 -0.14418E-02 5393 0.284E-01 0.326E-01 RMM: 4 -0.326547236342E+03 0.77862E-03 -0.16367E-03 4768 0.842E-02 0.878E-02 RMM: 5 -0.326547210439E+03 0.25903E-04 -0.18179E-04 4302 0.292E-02 0.896E-02 RMM: 6 -0.326547170008E+03 0.40431E-04 -0.24184E-05 2592 0.148E-02 0.584E-02 RMM: 7 -0.326547181739E+03 -0.11731E-04 -0.30132E-05 2771 0.168E-02 2526 T= 5909. E= 0.67485629E+03 F= 0.62972181E+03 E0= 0.65865619E+03 EK= 0.48120E+02 SP= -.39E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326903907023E+03 -0.35674E+00 -0.11841E-01 8544 0.227E+01 0.328E-01 RMM: 2 -0.326934629388E+03 -0.30722E-01 -0.10018E-01 5293 0.703E-01 0.185E+00 RMM: 3 -0.326911293768E+03 0.23336E-01 -0.13682E-02 5374 0.280E-01 0.371E-01 RMM: 4 -0.326910369544E+03 0.92422E-03 -0.18911E-03 4813 0.952E-02 0.123E-01 RMM: 5 -0.326910505537E+03 -0.13599E-03 -0.32721E-04 3906 0.447E-02 0.187E-01 RMM: 6 -0.326910272288E+03 0.23325E-03 -0.11420E-04 3804 0.312E-02 0.472E-02 RMM: 7 -0.326910262895E+03 0.93937E-05 -0.20763E-05 2575 0.135E-02 2527 T= 5881. E= 0.67485587E+03 F= 0.62935873E+03 E0= 0.65832723E+03 EK= 0.47893E+02 SP= -.32E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327422475373E+03 -0.51220E+00 -0.12310E-01 8744 0.226E+01 0.266E-01 RMM: 2 -0.327447672349E+03 -0.25197E-01 -0.10931E-01 5209 0.725E-01 0.153E+00 RMM: 3 -0.327431130731E+03 0.16542E-01 -0.12248E-02 5426 0.249E-01 0.261E-01 RMM: 4 -0.327430641829E+03 0.48890E-03 -0.12657E-03 4830 0.710E-02 0.940E-02 RMM: 5 -0.327430587159E+03 0.54670E-04 -0.14265E-04 3887 0.298E-02 0.847E-02 RMM: 6 -0.327430542238E+03 0.44921E-04 -0.27808E-05 2681 0.160E-02 0.478E-02 RMM: 7 -0.327430540057E+03 0.21814E-05 -0.18796E-05 2514 0.134E-02 2528 T= 5875. E= 0.67485391E+03 F= 0.62883845E+03 E0= 0.65783706E+03 EK= 0.47844E+02 SP= -.26E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328071929394E+03 -0.64139E+00 -0.12413E-01 8696 0.226E+01 0.243E-01 RMM: 2 -0.328092728935E+03 -0.20800E-01 -0.10398E-01 5195 0.714E-01 0.132E+00 RMM: 3 -0.328080155295E+03 0.12574E-01 -0.11015E-02 5515 0.230E-01 0.229E-01 RMM: 4 -0.328079734224E+03 0.42107E-03 -0.10379E-03 4804 0.654E-02 0.783E-02 RMM: 5 -0.328079729157E+03 0.50678E-05 -0.13087E-04 3845 0.294E-02 2529 T= 5888. E= 0.67485080E+03 F= 0.62818926E+03 E0= 0.65721366E+03 EK= 0.47945E+02 SP= -.20E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328803491828E+03 -0.72376E+00 -0.13076E-01 8512 0.226E+01 0.141E-01 RMM: 2 -0.328817605250E+03 -0.14113E-01 -0.11351E-01 5380 0.703E-01 0.727E-01 RMM: 3 -0.328812934819E+03 0.46704E-02 -0.89977E-03 5709 0.186E-01 0.151E-01 RMM: 4 -0.328812732988E+03 0.20183E-03 -0.59378E-04 4559 0.495E-02 0.100E-01 RMM: 5 -0.328812662122E+03 0.70866E-04 -0.70025E-05 3470 0.228E-02 0.718E-02 RMM: 6 -0.328812648515E+03 0.13607E-04 -0.26676E-05 2595 0.156E-02 2530 T= 5912. E= 0.67484640E+03 F= 0.62745634E+03 E0= 0.65649996E+03 EK= 0.48148E+02 SP= -.14E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329560958975E+03 -0.74830E+00 -0.13345E-01 8464 0.227E+01 0.301E-01 RMM: 2 -0.329597194023E+03 -0.36235E-01 -0.11939E-01 5028 0.768E-01 0.196E+00 RMM: 3 -0.329570322313E+03 0.26872E-01 -0.14929E-02 5399 0.279E-01 0.242E-01 RMM: 4 -0.329569907566E+03 0.41475E-03 -0.16456E-03 5003 0.779E-02 0.102E-01 RMM: 5 -0.329569890104E+03 0.17463E-04 -0.17594E-04 3910 0.324E-02 2531 T= 5943. E= 0.67484178E+03 F= 0.62669910E+03 E0= 0.65575582E+03 EK= 0.48393E+02 SP= -.85E+00 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330278784944E+03 -0.70888E+00 -0.13077E-01 8496 0.227E+01 0.298E-01 RMM: 2 -0.330314228392E+03 -0.35443E-01 -0.11477E-01 5207 0.764E-01 0.196E+00 RMM: 3 -0.330287749531E+03 0.26479E-01 -0.14206E-02 5404 0.275E-01 0.274E-01 RMM: 4 -0.330287230095E+03 0.51944E-03 -0.16082E-03 4881 0.802E-02 0.115E-01 RMM: 5 -0.330287183145E+03 0.46950E-04 -0.19202E-04 3893 0.348E-02 0.104E-01 RMM: 6 -0.330287120572E+03 0.62573E-04 -0.51593E-05 3184 0.211E-02 0.574E-02 RMM: 7 -0.330287134831E+03 -0.14259E-04 -0.33219E-05 2771 0.168E-02 2532 T= 5970. E= 0.67483707E+03 F= 0.62598185E+03 E0= 0.65504624E+03 EK= 0.48615E+02 SP= -.31E+00 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330892424734E+03 -0.60530E+00 -0.13136E-01 8136 0.228E+01 0.225E-01 RMM: 2 -0.330913338518E+03 -0.20914E-01 -0.13081E-01 4908 0.810E-01 0.116E+00 RMM: 3 -0.330903492787E+03 0.98457E-02 -0.14047E-02 5658 0.237E-01 0.219E-01 RMM: 4 -0.330903081627E+03 0.41116E-03 -0.10467E-03 4833 0.696E-02 0.111E-01 RMM: 5 -0.330903056446E+03 0.25181E-04 -0.16169E-04 3850 0.321E-02 0.978E-02 RMM: 6 -0.330902995157E+03 0.61289E-04 -0.44923E-05 3147 0.198E-02 0.242E-02 RMM: 7 -0.330903000417E+03 -0.52599E-05 -0.13994E-05 2499 0.120E-02 2533 T= 5987. E= 0.67483272E+03 F= 0.62536599E+03 E0= 0.65443345E+03 EK= 0.48753E+02 SP= 0.20E+00 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331359671274E+03 -0.45668E+00 -0.12108E-01 8168 0.229E+01 0.169E-01 RMM: 2 -0.331373801224E+03 -0.14130E-01 -0.10596E-01 5220 0.719E-01 0.842E-01 RMM: 3 -0.331368515912E+03 0.52853E-02 -0.10181E-02 6069 0.189E-01 0.142E-01 RMM: 4 -0.331368256230E+03 0.25968E-03 -0.55634E-04 4580 0.534E-02 0.113E-01 RMM: 5 -0.331368162902E+03 0.93328E-04 -0.88037E-05 3603 0.261E-02 0.604E-02 RMM: 6 -0.331368145043E+03 0.17859E-04 -0.21591E-05 2545 0.136E-02 2534 T= 5987. E= 0.67483015E+03 F= 0.62490084E+03 E0= 0.65396868E+03 EK= 0.48759E+02 SP= 0.70E+00 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331646118918E+03 -0.27796E+00 -0.11770E-01 8120 0.229E+01 0.165E-01 RMM: 2 -0.331660589797E+03 -0.14471E-01 -0.10886E-01 5191 0.712E-01 0.824E-01 RMM: 3 -0.331655282980E+03 0.53068E-02 -0.10579E-02 5788 0.194E-01 0.177E-01 RMM: 4 -0.331654950190E+03 0.33279E-03 -0.59735E-04 4756 0.517E-02 0.783E-02 RMM: 5 -0.331654907281E+03 0.42908E-04 -0.62259E-05 3344 0.219E-02 0.685E-02 RMM: 6 -0.331654891723E+03 0.15559E-04 -0.24894E-05 2552 0.149E-02 2535 T= 5969. E= 0.67482926E+03 F= 0.62461410E+03 E0= 0.65368320E+03 EK= 0.48607E+02 SP= 0.12E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331757790268E+03 -0.10288E+00 -0.10944E-01 8024 0.229E+01 0.400E-01 RMM: 2 -0.331800665944E+03 -0.42876E-01 -0.10362E-01 5057 0.776E-01 0.229E+00 RMM: 3 -0.331765101869E+03 0.35564E-01 -0.18498E-02 5371 0.335E-01 0.393E-01 RMM: 4 -0.331763975321E+03 0.11265E-02 -0.22687E-03 5021 0.982E-02 0.104E-01 RMM: 5 -0.331763972273E+03 0.30487E-05 -0.26099E-04 3918 0.358E-02 0.124E-01 RMM: 6 -0.331763874373E+03 0.97899E-04 -0.52197E-05 3193 0.218E-02 0.521E-02 RMM: 7 -0.331763867594E+03 0.67795E-05 -0.20485E-05 2535 0.136E-02 2536 T= 5931. E= 0.67483050E+03 F= 0.62450512E+03 E0= 0.65357630E+03 EK= 0.48300E+02 SP= 0.16E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331717795189E+03 0.46079E-01 -0.11621E-01 7656 0.228E+01 0.376E-01 RMM: 2 -0.331761676818E+03 -0.43882E-01 -0.11813E-01 4980 0.795E-01 0.225E+00 RMM: 3 -0.331726841529E+03 0.34835E-01 -0.19249E-02 5367 0.336E-01 0.405E-01 RMM: 4 -0.331725687350E+03 0.11542E-02 -0.23051E-03 5157 0.980E-02 0.122E-01 RMM: 5 -0.331725688256E+03 -0.90583E-06 -0.29500E-04 3902 0.399E-02 0.135E-01 RMM: 6 -0.331725560955E+03 0.12730E-03 -0.73966E-05 3504 0.247E-02 0.470E-02 RMM: 7 -0.331725555453E+03 0.55025E-05 -0.18885E-05 2546 0.127E-02 2537 T= 5879. E= 0.67483398E+03 F= 0.62454343E+03 E0= 0.65361975E+03 EK= 0.47871E+02 SP= 0.21E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331590333972E+03 0.13523E+00 -0.10834E-01 7624 0.227E+01 0.281E-01 RMM: 2 -0.331616684709E+03 -0.26351E-01 -0.92606E-02 4969 0.719E-01 0.168E+00 RMM: 3 -0.331597577223E+03 0.19107E-01 -0.13154E-02 5392 0.269E-01 0.274E-01 RMM: 4 -0.331597075247E+03 0.50198E-03 -0.13999E-03 4896 0.737E-02 0.923E-02 RMM: 5 -0.331597044371E+03 0.30877E-04 -0.15427E-04 3861 0.323E-02 0.940E-02 RMM: 6 -0.331596986409E+03 0.57961E-04 -0.34334E-05 2903 0.178E-02 0.451E-02 RMM: 7 -0.331596985365E+03 0.10439E-05 -0.17459E-05 2509 0.132E-02 2538 T= 5818. E= 0.67483893E+03 F= 0.62467200E+03 E0= 0.65375630E+03 EK= 0.47379E+02 SP= 0.25E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331443224958E+03 0.15376E+00 -0.10530E-01 7688 0.225E+01 0.230E-01 RMM: 2 -0.331459858217E+03 -0.16633E-01 -0.90351E-02 4910 0.734E-01 0.116E+00 RMM: 3 -0.331450679559E+03 0.91787E-02 -0.11661E-02 5483 0.234E-01 0.215E-01 RMM: 4 -0.331450339968E+03 0.33959E-03 -0.98976E-04 4866 0.645E-02 0.800E-02 RMM: 5 -0.331450320494E+03 0.19474E-04 -0.12204E-04 3851 0.285E-02 2539 T= 5759. E= 0.67484486E+03 F= 0.62481867E+03 E0= 0.65391215E+03 EK= 0.46896E+02 SP= 0.29E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331348738608E+03 0.10160E+00 -0.10326E-01 7624 0.224E+01 0.131E-01 RMM: 2 -0.331359721647E+03 -0.10983E-01 -0.85359E-02 4934 0.686E-01 0.701E-01 RMM: 3 -0.331356241219E+03 0.34804E-02 -0.92865E-03 5749 0.182E-01 0.145E-01 RMM: 4 -0.331356017151E+03 0.22407E-03 -0.46163E-04 4567 0.476E-02 0.805E-02 RMM: 5 -0.331355971886E+03 0.45265E-04 -0.55248E-05 3138 0.225E-02 0.680E-02 RMM: 6 -0.331355958314E+03 0.13572E-04 -0.28589E-05 2579 0.160E-02 2540 T= 5709. E= 0.67484962E+03 F= 0.62491303E+03 E0= 0.65401575E+03 EK= 0.46493E+02 SP= 0.32E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331361655514E+03 -0.56836E-02 -0.99102E-02 7640 0.223E+01 0.382E-01 RMM: 2 -0.331406910454E+03 -0.45255E-01 -0.91227E-02 4774 0.765E-01 0.241E+00 RMM: 3 -0.331367889026E+03 0.39021E-01 -0.17701E-02 5355 0.332E-01 0.312E-01 RMM: 4 -0.331367208272E+03 0.68075E-03 -0.19352E-03 5058 0.850E-02 0.101E-01 RMM: 5 -0.331367235862E+03 -0.27591E-04 -0.23669E-04 3884 0.371E-02 0.127E-01 RMM: 6 -0.331367134285E+03 0.10158E-03 -0.59629E-05 3331 0.227E-02 0.475E-02 RMM: 7 -0.331367124602E+03 0.96830E-05 -0.17418E-05 2517 0.127E-02 2541 T= 5676. E= 0.67485204E+03 F= 0.62490186E+03 E0= 0.65401156E+03 EK= 0.46221E+02 SP= 0.35E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331507068425E+03 -0.13993E+00 -0.10252E-01 7608 0.223E+01 0.358E-01 RMM: 2 -0.331545294921E+03 -0.38226E-01 -0.86464E-02 5006 0.714E-01 0.220E+00 RMM: 3 -0.331513178766E+03 0.32116E-01 -0.15861E-02 5356 0.312E-01 0.347E-01 RMM: 4 -0.331512385555E+03 0.79321E-03 -0.18120E-03 4890 0.868E-02 0.117E-01 RMM: 5 -0.331512372299E+03 0.13256E-04 -0.23849E-04 3888 0.383E-02 0.126E-01 RMM: 6 -0.331512265058E+03 0.10724E-03 -0.66038E-05 3396 0.239E-02 0.478E-02 RMM: 7 -0.331512258633E+03 0.64250E-05 -0.19002E-05 2521 0.130E-02 2542 T= 5662. E= 0.67485298E+03 F= 0.62475673E+03 E0= 0.65386974E+03 EK= 0.46111E+02 SP= 0.38E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331789817118E+03 -0.27755E+00 -0.10772E-01 7872 0.223E+01 0.281E-01 RMM: 2 -0.331813974188E+03 -0.24157E-01 -0.97434E-02 4816 0.759E-01 0.156E+00 RMM: 3 -0.331797682900E+03 0.16291E-01 -0.13803E-02 5426 0.267E-01 0.280E-01 RMM: 4 -0.331797125785E+03 0.55712E-03 -0.13971E-03 4800 0.749E-02 0.937E-02 RMM: 5 -0.331797102750E+03 0.23035E-04 -0.17875E-04 3900 0.340E-02 0.890E-02 RMM: 6 -0.331797050797E+03 0.51953E-04 -0.36473E-05 2944 0.182E-02 0.401E-02 RMM: 7 -0.331797051253E+03 -0.45534E-06 -0.14964E-05 2499 0.125E-02 2543 T= 5669. E= 0.67485279E+03 F= 0.62447194E+03 E0= 0.65358312E+03 EK= 0.46168E+02 SP= 0.41E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332204894611E+03 -0.40784E+00 -0.11003E-01 8152 0.223E+01 0.220E-01 RMM: 2 -0.332221078249E+03 -0.16184E-01 -0.86883E-02 4992 0.685E-01 0.114E+00 RMM: 3 -0.332212105000E+03 0.89732E-02 -0.10954E-02 5529 0.224E-01 0.204E-01 RMM: 4 -0.332211801483E+03 0.30352E-03 -0.94668E-04 4721 0.643E-02 0.104E-01 RMM: 5 -0.332211744574E+03 0.56909E-04 -0.12237E-04 3830 0.284E-02 0.787E-02 RMM: 6 -0.332211709530E+03 0.35044E-04 -0.27177E-05 2689 0.159E-02 0.442E-02 RMM: 7 -0.332211707460E+03 0.20694E-05 -0.14910E-05 2502 0.122E-02 2544 T= 5695. E= 0.67485165E+03 F= 0.62405728E+03 E0= 0.65316032E+03 EK= 0.46381E+02 SP= 0.43E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332726870447E+03 -0.51516E+00 -0.11779E-01 8320 0.224E+01 0.196E-01 RMM: 2 -0.332743266463E+03 -0.16396E-01 -0.10583E-01 4893 0.755E-01 0.103E+00 RMM: 3 -0.332736092855E+03 0.71736E-02 -0.13036E-02 5706 0.227E-01 0.204E-01 RMM: 4 -0.332735721355E+03 0.37150E-03 -0.86059E-04 4814 0.629E-02 0.959E-02 RMM: 5 -0.332735675820E+03 0.45536E-04 -0.11987E-04 3780 0.284E-02 0.764E-02 RMM: 6 -0.332735645306E+03 0.30513E-04 -0.25662E-05 2604 0.153E-02 0.489E-02 RMM: 7 -0.332735643921E+03 0.13852E-05 -0.19838E-05 2558 0.136E-02 2545 T= 5738. E= 0.67484987E+03 F= 0.62353335E+03 E0= 0.65262220E+03 EK= 0.46728E+02 SP= 0.45E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333332406306E+03 -0.59676E+00 -0.12015E-01 8912 0.225E+01 0.174E-01 RMM: 2 -0.333345687987E+03 -0.13282E-01 -0.94291E-02 4992 0.687E-01 0.861E-01 RMM: 3 -0.333340514769E+03 0.51732E-02 -0.10860E-02 5777 0.204E-01 0.166E-01 RMM: 4 -0.333340268820E+03 0.24595E-03 -0.68738E-04 4708 0.563E-02 0.973E-02 RMM: 5 -0.333340214457E+03 0.54362E-04 -0.94383E-05 3607 0.255E-02 0.687E-02 RMM: 6 -0.333340193878E+03 0.20579E-04 -0.23666E-05 2562 0.146E-02 0.460E-02 RMM: 7 -0.333340192773E+03 0.11050E-05 -0.15111E-05 2512 0.120E-02 2546 T= 5793. E= 0.67484705E+03 F= 0.62292880E+03 E0= 0.65199708E+03 EK= 0.47179E+02 SP= 0.47E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333979568200E+03 -0.63937E+00 -0.12612E-01 8712 0.226E+01 0.159E-01 RMM: 2 -0.333992773914E+03 -0.13206E-01 -0.10290E-01 5103 0.693E-01 0.770E-01 RMM: 3 -0.333988238316E+03 0.45356E-02 -0.10377E-02 5878 0.196E-01 0.146E-01 RMM: 4 -0.333988035320E+03 0.20300E-03 -0.60152E-04 4688 0.523E-02 0.102E-01 RMM: 5 -0.333987970492E+03 0.64828E-04 -0.83292E-05 3526 0.251E-02 0.633E-02 RMM: 6 -0.333987952049E+03 0.18443E-04 -0.22823E-05 2544 0.138E-02 2547 T= 5857. E= 0.67484335E+03 F= 0.62228104E+03 E0= 0.65132352E+03 EK= 0.47695E+02 SP= 0.48E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334625943059E+03 -0.63797E+00 -0.13220E-01 8800 0.227E+01 0.159E-01 RMM: 2 -0.334640122450E+03 -0.14179E-01 -0.10723E-01 5174 0.691E-01 0.798E-01 RMM: 3 -0.334634997771E+03 0.51247E-02 -0.98162E-03 5685 0.198E-01 0.183E-01 RMM: 4 -0.334634704202E+03 0.29357E-03 -0.64824E-04 4832 0.518E-02 0.749E-02 RMM: 5 -0.334634668624E+03 0.35578E-04 -0.62698E-05 3301 0.216E-02 0.647E-02 RMM: 6 -0.334634659135E+03 0.94884E-05 -0.18604E-05 2509 0.128E-02 2548 T= 5923. E= 0.67483966E+03 F= 0.62163433E+03 E0= 0.65064625E+03 EK= 0.48231E+02 SP= 0.50E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335227360127E+03 -0.59269E+00 -0.13695E-01 8744 0.229E+01 0.306E-01 RMM: 2 -0.335263750875E+03 -0.36391E-01 -0.12030E-01 4959 0.777E-01 0.197E+00 RMM: 3 -0.335236864393E+03 0.26886E-01 -0.15552E-02 5425 0.286E-01 0.278E-01 RMM: 4 -0.335236282764E+03 0.58163E-03 -0.17004E-03 4948 0.797E-02 0.842E-02 RMM: 5 -0.335236253088E+03 0.29676E-04 -0.16326E-04 4000 0.308E-02 0.872E-02 RMM: 6 -0.335236209542E+03 0.43546E-04 -0.28820E-05 2616 0.162E-02 0.492E-02 RMM: 7 -0.335236214795E+03 -0.52526E-05 -0.21590E-05 2533 0.147E-02 2549 T= 5985. E= 0.67483592E+03 F= 0.62103277E+03 E0= 0.65001113E+03 EK= 0.48741E+02 SP= 0.50E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335743673629E+03 -0.50746E+00 -0.14285E-01 8624 0.230E+01 0.284E-01 RMM: 2 -0.335776981519E+03 -0.33308E-01 -0.13212E-01 5012 0.787E-01 0.180E+00 RMM: 3 -0.335754239565E+03 0.22742E-01 -0.15194E-02 5423 0.278E-01 0.284E-01 RMM: 4 -0.335753720941E+03 0.51862E-03 -0.17532E-03 4920 0.868E-02 0.130E-01 RMM: 5 -0.335753753992E+03 -0.33051E-04 -0.25666E-04 3897 0.390E-02 0.152E-01 RMM: 6 -0.335753596696E+03 0.15730E-03 -0.86604E-05 3582 0.268E-02 0.325E-02 RMM: 7 -0.335753602650E+03 -0.59539E-05 -0.21388E-05 2552 0.141E-02 2550 T= 6040. E= 0.67483316E+03 F= 0.62051539E+03 E0= 0.64945689E+03 EK= 0.49185E+02 SP= 0.51E+01 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336149399018E+03 -0.39580E+00 -0.14501E-01 8408 0.231E+01 0.231E-01 RMM: 2 -0.336175272533E+03 -0.25874E-01 -0.13798E-01 5023 0.808E-01 0.141E+00 RMM: 3 -0.336160859892E+03 0.14413E-01 -0.14256E-02 5547 0.252E-01 0.195E-01 RMM: 4 -0.336160561896E+03 0.29800E-03 -0.12065E-03 5045 0.677E-02 0.976E-02 RMM: 5 -0.336160502872E+03 0.59024E-04 -0.13181E-04 3919 0.286E-02 0.823E-02 RMM: 6 -0.336160458689E+03 0.44183E-04 -0.30255E-05 2740 0.163E-02 0.417E-02 RMM: 7 -0.336160458493E+03 0.19619E-06 -0.21477E-05 2526 0.145E-02 2551 T= 6083. E= 0.67483150E+03 F= 0.62010853E+03 E0= 0.64901064E+03 EK= 0.49535E+02 SP= 0.52E+01 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336436568244E+03 -0.27611E+00 -0.14434E-01 8544 0.232E+01 0.169E-01 RMM: 2 -0.336453555427E+03 -0.16987E-01 -0.13327E-01 4960 0.803E-01 0.835E-01 RMM: 3 -0.336448101497E+03 0.54539E-02 -0.13665E-02 5981 0.217E-01 0.155E-01 RMM: 4 -0.336447757242E+03 0.34425E-03 -0.67319E-04 4772 0.576E-02 0.877E-02 RMM: 5 -0.336447715197E+03 0.42045E-04 -0.91735E-05 3663 0.255E-02 0.675E-02 RMM: 6 -0.336447690140E+03 0.25057E-04 -0.23657E-05 2560 0.148E-02 0.385E-02 RMM: 7 -0.336447691041E+03 -0.90138E-06 -0.15220E-05 2500 0.123E-02 2552 T= 6113. E= 0.67483117E+03 F= 0.61982130E+03 E0= 0.64868261E+03 EK= 0.49782E+02 SP= 0.52E+01 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336613069726E+03 -0.16538E+00 -0.14174E-01 8312 0.232E+01 0.162E-01 RMM: 2 -0.336628673140E+03 -0.15603E-01 -0.13424E-01 4937 0.817E-01 0.704E-01 RMM: 3 -0.336624755086E+03 0.39181E-02 -0.14209E-02 6201 0.212E-01 0.143E-01 RMM: 4 -0.336624405105E+03 0.34998E-03 -0.62778E-04 4676 0.599E-02 0.106E-01 RMM: 5 -0.336624329831E+03 0.75274E-04 -0.92578E-05 3574 0.261E-02 0.640E-02 RMM: 6 -0.336624309161E+03 0.20670E-04 -0.23201E-05 2556 0.146E-02 0.383E-02 RMM: 7 -0.336624307483E+03 0.16783E-05 -0.18124E-05 2510 0.131E-02 2553 T= 6132. E= 0.67483202E+03 F= 0.61964468E+03 E0= 0.64846527E+03 EK= 0.49933E+02 SP= 0.53E+01 SK= 0.89E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336705694203E+03 -0.81385E-01 -0.12869E-01 8216 0.232E+01 0.155E-01 RMM: 2 -0.336719991348E+03 -0.14297E-01 -0.11482E-01 5029 0.747E-01 0.760E-01 RMM: 3 -0.336715473236E+03 0.45181E-02 -0.11477E-02 6047 0.199E-01 0.152E-01 RMM: 4 -0.336715184550E+03 0.28869E-03 -0.55592E-04 4634 0.536E-02 0.925E-02 RMM: 5 -0.336715128991E+03 0.55560E-04 -0.76735E-05 3487 0.237E-02 0.644E-02 RMM: 6 -0.336715110026E+03 0.18965E-04 -0.22925E-05 2554 0.148E-02 2554 T= 6141. E= 0.67483446E+03 F= 0.61955388E+03 E0= 0.64833438E+03 EK= 0.50013E+02 SP= 0.53E+01 SK= 0.10E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336748542286E+03 -0.33413E-01 -0.12349E-01 7992 0.232E+01 0.214E-01 RMM: 2 -0.336767054783E+03 -0.18512E-01 -0.11299E-01 4933 0.766E-01 0.113E+00 RMM: 3 -0.336758007868E+03 0.90469E-02 -0.12882E-02 5647 0.231E-01 0.195E-01 RMM: 4 -0.336757644391E+03 0.36348E-03 -0.90690E-04 5036 0.603E-02 0.821E-02 RMM: 5 -0.336757602536E+03 0.41854E-04 -0.94021E-05 3740 0.256E-02 0.691E-02 RMM: 6 -0.336757583612E+03 0.18925E-04 -0.21034E-05 2545 0.135E-02 2555 T= 6147. E= 0.67483710E+03 F= 0.61951141E+03 E0= 0.64825330E+03 EK= 0.50058E+02 SP= 0.53E+01 SK= 0.86E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.336783257934E+03 -0.25655E-01 -0.11447E-01 7768 0.232E+01 0.317E-01 RMM: 2 -0.336818001609E+03 -0.34744E-01 -0.93424E-02 5060 0.719E-01 0.202E+00 RMM: 3 -0.336790168917E+03 0.27833E-01 -0.14394E-02 5395 0.288E-01 0.289E-01 RMM: 4 -0.336789574627E+03 0.59429E-03 -0.15945E-03 4810 0.780E-02 0.915E-02 RMM: 5 -0.336789541207E+03 0.33421E-04 -0.15625E-04 3925 0.311E-02 0.874E-02 RMM: 6 -0.336789493528E+03 0.47678E-04 -0.28019E-05 2608 0.157E-02 0.515E-02 RMM: 7 -0.336789502346E+03 -0.88174E-05 -0.29540E-05 2766 0.171E-02 2556 T= 6153. E= 0.67483858E+03 F= 0.61947949E+03 E0= 0.64818449E+03 EK= 0.50104E+02 SP= 0.53E+01 SK= 0.80E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336833198778E+03 -0.43705E-01 -0.11508E-01 7632 0.232E+01 0.323E-01 RMM: 2 -0.336864662885E+03 -0.31464E-01 -0.99397E-02 4872 0.743E-01 0.187E+00 RMM: 3 -0.336840786760E+03 0.23876E-01 -0.15206E-02 5375 0.292E-01 0.335E-01 RMM: 4 -0.336840043034E+03 0.74373E-03 -0.18731E-03 5004 0.907E-02 0.113E-01 RMM: 5 -0.336840162829E+03 -0.11979E-03 -0.29069E-04 3915 0.397E-02 0.177E-01 RMM: 6 -0.336839950137E+03 0.21269E-03 -0.98481E-05 3667 0.287E-02 0.341E-02 RMM: 7 -0.336839948631E+03 0.15062E-05 -0.19902E-05 2548 0.133E-02 2557 T= 6162. E= 0.67483950E+03 F= 0.61942904E+03 E0= 0.64809931E+03 EK= 0.50180E+02 SP= 0.52E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336918440277E+03 -0.78490E-01 -0.10844E-01 7672 0.232E+01 0.209E-01 RMM: 2 -0.336936881684E+03 -0.18441E-01 -0.84065E-02 4932 0.673E-01 0.130E+00 RMM: 3 -0.336925280068E+03 0.11602E-01 -0.99532E-03 5433 0.219E-01 0.169E-01 RMM: 4 -0.336925092212E+03 0.18786E-03 -0.89601E-04 4881 0.577E-02 0.888E-02 RMM: 5 -0.336925033448E+03 0.58764E-04 -0.97384E-05 3756 0.267E-02 0.656E-02 RMM: 6 -0.336925004736E+03 0.28712E-04 -0.23975E-05 2560 0.144E-02 0.399E-02 RMM: 7 -0.336925001912E+03 0.28242E-05 -0.19716E-05 2508 0.136E-02 2558 T= 6177. E= 0.67483983E+03 F= 0.61934399E+03 E0= 0.64797989E+03 EK= 0.50303E+02 SP= 0.52E+01 SK= 0.42E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337039550205E+03 -0.11455E+00 -0.10892E-01 7696 0.232E+01 0.151E-01 RMM: 2 -0.337049153509E+03 -0.96033E-02 -0.74988E-02 4900 0.651E-01 0.682E-01 RMM: 3 -0.337045864731E+03 0.32888E-02 -0.84878E-03 5812 0.177E-01 0.123E-01 RMM: 4 -0.337045683532E+03 0.18120E-03 -0.46864E-04 4591 0.478E-02 0.754E-02 RMM: 5 -0.337045654727E+03 0.28805E-04 -0.64544E-05 3390 0.235E-02 0.562E-02 RMM: 6 -0.337045639134E+03 0.15593E-04 -0.21912E-05 2536 0.144E-02 2559 T= 6198. E= 0.67483894E+03 F= 0.61922335E+03 E0= 0.64782530E+03 EK= 0.50472E+02 SP= 0.51E+01 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337179136954E+03 -0.13348E+00 -0.11267E-01 7704 0.233E+01 0.192E-01 RMM: 2 -0.337195234928E+03 -0.16098E-01 -0.10061E-01 4770 0.748E-01 0.104E+00 RMM: 3 -0.337187674423E+03 0.75605E-02 -0.11634E-02 5625 0.215E-01 0.166E-01 RMM: 4 -0.337187419142E+03 0.25528E-03 -0.77145E-04 4748 0.596E-02 0.916E-02 RMM: 5 -0.337187362193E+03 0.56949E-04 -0.10221E-04 3946 0.263E-02 0.611E-02 RMM: 6 -0.337187342815E+03 0.19378E-04 -0.21796E-05 2539 0.135E-02 2560 T= 6223. E= 0.67483752E+03 F= 0.61908165E+03 E0= 0.64764879E+03 EK= 0.50673E+02 SP= 0.51E+01 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337319495528E+03 -0.13213E+00 -0.10935E-01 7720 0.234E+01 0.230E-01 RMM: 2 -0.337335579217E+03 -0.16084E-01 -0.72867E-02 5010 0.655E-01 0.123E+00 RMM: 3 -0.337325300201E+03 0.10279E-01 -0.95161E-03 5398 0.223E-01 0.236E-01 RMM: 4 -0.337324888563E+03 0.41164E-03 -0.93558E-04 4712 0.628E-02 0.737E-02 RMM: 5 -0.337324861598E+03 0.26964E-04 -0.10565E-04 3975 0.259E-02 0.715E-02 RMM: 6 -0.337324834496E+03 0.27103E-04 -0.21240E-05 2545 0.138E-02 0.468E-02 RMM: 7 -0.337324842557E+03 -0.80610E-05 -0.23007E-05 2565 0.147E-02 2561 T= 6248. E= 0.67483540E+03 F= 0.61894415E+03 E0= 0.64747571E+03 EK= 0.50880E+02 SP= 0.50E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337419661159E+03 -0.94827E-01 -0.11725E-01 7712 0.235E+01 0.204E-01 RMM: 2 -0.337435347798E+03 -0.15687E-01 -0.11037E-01 4771 0.781E-01 0.943E-01 RMM: 3 -0.337429035416E+03 0.63124E-02 -0.12829E-02 5657 0.224E-01 0.179E-01 RMM: 4 -0.337428796200E+03 0.23922E-03 -0.98245E-04 4735 0.699E-02 0.138E-01 RMM: 5 -0.337428696884E+03 0.99317E-04 -0.15642E-04 3864 0.331E-02 0.770E-02 RMM: 6 -0.337428658406E+03 0.38478E-04 -0.32004E-05 2847 0.170E-02 0.288E-02 RMM: 7 -0.337428662081E+03 -0.36747E-05 -0.16077E-05 2494 0.128E-02 2562 T= 6270. E= 0.67483318E+03 F= 0.61884033E+03 E0= 0.64733542E+03 EK= 0.51062E+02 SP= 0.49E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337460703201E+03 -0.32045E-01 -0.11415E-01 8024 0.236E+01 0.175E-01 RMM: 2 -0.337473141219E+03 -0.12438E-01 -0.92508E-02 5006 0.708E-01 0.820E-01 RMM: 3 -0.337468512383E+03 0.46288E-02 -0.10215E-02 5873 0.191E-01 0.140E-01 RMM: 4 -0.337468271431E+03 0.24095E-03 -0.57153E-04 4700 0.535E-02 0.104E-01 RMM: 5 -0.337468197120E+03 0.74311E-04 -0.81676E-05 3575 0.249E-02 0.610E-02 RMM: 6 -0.337468179709E+03 0.17411E-04 -0.21103E-05 2532 0.137E-02 2563 T= 6286. E= 0.67483156E+03 F= 0.61880081E+03 E0= 0.64725947E+03 EK= 0.51189E+02 SP= 0.48E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337407081500E+03 0.61116E-01 -0.11656E-01 8016 0.237E+01 0.178E-01 RMM: 2 -0.337421432090E+03 -0.14351E-01 -0.85155E-02 4980 0.668E-01 0.101E+00 RMM: 3 -0.337414218933E+03 0.72132E-02 -0.93457E-03 5569 0.200E-01 0.166E-01 RMM: 4 -0.337413990511E+03 0.22842E-03 -0.66758E-04 4961 0.516E-02 0.740E-02 RMM: 5 -0.337413952824E+03 0.37686E-04 -0.64217E-05 3346 0.226E-02 0.636E-02 RMM: 6 -0.337413941981E+03 0.10843E-04 -0.19972E-05 2523 0.133E-02 2564 T= 6291. E= 0.67483021E+03 F= 0.61885505E+03 E0= 0.64727947E+03 EK= 0.51231E+02 SP= 0.47E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337234157332E+03 0.17980E+00 -0.11808E-01 8040 0.237E+01 0.345E-01 RMM: 2 -0.337267388380E+03 -0.33231E-01 -0.95126E-02 5013 0.742E-01 0.195E+00 RMM: 3 -0.337241079029E+03 0.26309E-01 -0.14930E-02 5378 0.297E-01 0.316E-01 RMM: 4 -0.337240349431E+03 0.72960E-03 -0.17553E-03 4778 0.854E-02 0.928E-02 RMM: 5 -0.337240330095E+03 0.19336E-04 -0.19999E-04 3939 0.331E-02 2565 T= 6283. E= 0.67483025E+03 F= 0.61902866E+03 E0= 0.64742154E+03 EK= 0.51162E+02 SP= 0.46E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336919937269E+03 0.32041E+00 -0.11824E-01 8392 0.237E+01 0.232E-01 RMM: 2 -0.336940253480E+03 -0.20316E-01 -0.92557E-02 5147 0.672E-01 0.131E+00 RMM: 3 -0.336927609170E+03 0.12644E-01 -0.10680E-02 5389 0.235E-01 0.272E-01 RMM: 4 -0.336927091175E+03 0.51800E-03 -0.11572E-03 4761 0.689E-02 0.878E-02 RMM: 5 -0.336927050033E+03 0.41142E-04 -0.12275E-04 3967 0.281E-02 0.742E-02 RMM: 6 -0.336927023149E+03 0.26884E-04 -0.22406E-05 2550 0.138E-02 0.551E-02 RMM: 7 -0.336927032159E+03 -0.90103E-05 -0.28097E-05 2656 0.155E-02 2566 T= 6258. E= 0.67483053E+03 F= 0.61934196E+03 E0= 0.64770873E+03 EK= 0.50962E+02 SP= 0.45E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336450264973E+03 0.47676E+00 -0.11681E-01 8256 0.236E+01 0.230E-01 RMM: 2 -0.336466029372E+03 -0.15764E-01 -0.10067E-01 4816 0.735E-01 0.104E+00 RMM: 3 -0.336458454084E+03 0.75753E-02 -0.11523E-02 5646 0.221E-01 0.174E-01 RMM: 4 -0.336458277381E+03 0.17670E-03 -0.91812E-04 4710 0.656E-02 0.148E-01 RMM: 5 -0.336458189965E+03 0.87417E-04 -0.15601E-04 3846 0.316E-02 0.965E-02 RMM: 6 -0.336458128843E+03 0.61122E-04 -0.48469E-05 3190 0.211E-02 0.228E-02 RMM: 7 -0.336458138761E+03 -0.99187E-05 -0.15323E-05 2503 0.124E-02 2567 T= 6215. E= 0.67483078E+03 F= 0.61981085E+03 E0= 0.64815771E+03 EK= 0.50615E+02 SP= 0.44E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335817580544E+03 0.64055E+00 -0.11914E-01 8152 0.235E+01 0.130E-01 RMM: 2 -0.335830091535E+03 -0.12511E-01 -0.11663E-01 4934 0.768E-01 0.510E-01 RMM: 3 -0.335827903548E+03 0.21880E-02 -0.12469E-02 6223 0.196E-01 0.110E-01 RMM: 4 -0.335827636448E+03 0.26710E-03 -0.49987E-04 4505 0.537E-02 0.103E-01 RMM: 5 -0.335827552685E+03 0.83764E-04 -0.74084E-05 3414 0.264E-02 0.497E-02 RMM: 6 -0.335827543057E+03 0.96271E-05 -0.20266E-05 2517 0.128E-02 2568 T= 6154. E= 0.67483230E+03 F= 0.62044145E+03 E0= 0.64877422E+03 EK= 0.50116E+02 SP= 0.42E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335034393668E+03 0.79316E+00 -0.12188E-01 7904 0.234E+01 0.162E-01 RMM: 2 -0.335051206676E+03 -0.16813E-01 -0.12746E-01 4767 0.813E-01 0.854E-01 RMM: 3 -0.335045648168E+03 0.55585E-02 -0.14343E-02 5982 0.221E-01 0.161E-01 RMM: 4 -0.335045251079E+03 0.39709E-03 -0.64976E-04 4835 0.582E-02 0.696E-02 RMM: 5 -0.335045225461E+03 0.25617E-04 -0.82633E-05 3697 0.246E-02 0.619E-02 RMM: 6 -0.335045211368E+03 0.14093E-04 -0.22588E-05 2540 0.145E-02 2569 T= 6076. E= 0.67483471E+03 F= 0.62122378E+03 E0= 0.64955100E+03 EK= 0.49478E+02 SP= 0.41E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334133102695E+03 0.91212E+00 -0.11666E-01 7888 0.232E+01 0.315E-01 RMM: 2 -0.334162545654E+03 -0.29443E-01 -0.10856E-01 4854 0.775E-01 0.172E+00 RMM: 3 -0.334141483855E+03 0.21062E-01 -0.15732E-02 5389 0.294E-01 0.296E-01 RMM: 4 -0.334140862468E+03 0.62139E-03 -0.16882E-03 4871 0.823E-02 0.821E-02 RMM: 5 -0.334140848492E+03 0.13976E-04 -0.18832E-04 3993 0.316E-02 2570 T= 5984. E= 0.67483967E+03 F= 0.62212814E+03 E0= 0.65045793E+03 EK= 0.48733E+02 SP= 0.39E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333159632425E+03 0.98123E+00 -0.11423E-01 7848 0.229E+01 0.260E-01 RMM: 2 -0.333185822133E+03 -0.26190E-01 -0.99079E-02 5066 0.704E-01 0.158E+00 RMM: 3 -0.333167532197E+03 0.18290E-01 -0.12467E-02 5409 0.255E-01 0.230E-01 RMM: 4 -0.333167148100E+03 0.38410E-03 -0.12841E-03 4914 0.688E-02 0.977E-02 RMM: 5 -0.333167091173E+03 0.56927E-04 -0.11443E-04 3838 0.284E-02 0.753E-02 RMM: 6 -0.333167064014E+03 0.27159E-04 -0.26424E-05 2585 0.152E-02 0.567E-02 RMM: 7 -0.333167080910E+03 -0.16897E-04 -0.33281E-05 2799 0.167E-02 2571 T= 5886. E= 0.67484596E+03 F= 0.62310191E+03 E0= 0.65144379E+03 EK= 0.47935E+02 SP= 0.37E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332188195254E+03 0.97887E+00 -0.11127E-01 7864 0.227E+01 0.212E-01 RMM: 2 -0.332201660582E+03 -0.13465E-01 -0.95650E-02 4777 0.715E-01 0.877E-01 RMM: 3 -0.332196051102E+03 0.56095E-02 -0.11020E-02 5675 0.214E-01 0.173E-01 RMM: 4 -0.332195949881E+03 0.10122E-03 -0.86162E-04 4665 0.657E-02 0.174E-01 RMM: 5 -0.332195803941E+03 0.14594E-03 -0.17384E-04 3867 0.342E-02 0.100E-01 RMM: 6 -0.332195739579E+03 0.64362E-04 -0.52533E-05 3261 0.217E-02 0.234E-02 RMM: 7 -0.332195750677E+03 -0.11098E-04 -0.16449E-05 2514 0.129E-02 2572 T= 5791. E= 0.67485287E+03 F= 0.62407324E+03 E0= 0.65243685E+03 EK= 0.47159E+02 SP= 0.35E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331304567772E+03 0.89117E+00 -0.10697E-01 7816 0.224E+01 0.173E-01 RMM: 2 -0.331318381530E+03 -0.13814E-01 -0.10613E-01 4924 0.747E-01 0.796E-01 RMM: 3 -0.331313795782E+03 0.45857E-02 -0.12237E-02 5953 0.206E-01 0.152E-01 RMM: 4 -0.331313477017E+03 0.31877E-03 -0.60722E-04 4791 0.548E-02 0.983E-02 RMM: 5 -0.331313402187E+03 0.74830E-04 -0.84785E-05 3648 0.255E-02 0.619E-02 RMM: 6 -0.331313383126E+03 0.19061E-04 -0.22708E-05 2547 0.140E-02 2573 T= 5709. E= 0.67485983E+03 F= 0.62495561E+03 E0= 0.65335051E+03 EK= 0.46493E+02 SP= 0.33E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330599099577E+03 0.71430E+00 -0.11029E-01 7760 0.222E+01 0.177E-01 RMM: 2 -0.330614913793E+03 -0.15814E-01 -0.11547E-01 4814 0.788E-01 0.879E-01 RMM: 3 -0.330609248947E+03 0.56648E-02 -0.13152E-02 5741 0.220E-01 0.191E-01 RMM: 4 -0.330608849127E+03 0.39982E-03 -0.77882E-04 4937 0.598E-02 0.774E-02 RMM: 5 -0.330608815496E+03 0.33631E-04 -0.96561E-05 3772 0.260E-02 0.726E-02 RMM: 6 -0.330608787835E+03 0.27661E-04 -0.29048E-05 2603 0.160E-02 0.568E-02 RMM: 7 -0.330608830319E+03 -0.42484E-04 -0.80431E-05 3791 0.230E-02 0.107E-01 RMM: 8 -0.330608753834E+03 0.76486E-04 -0.67926E-05 3565 0.204E-02 0.308E-02 RMM: 9 -0.330608749896E+03 0.39377E-05 -0.11958E-05 2488 0.987E-03 2574 T= 5652. E= 0.67486523E+03 F= 0.62566024E+03 E0= 0.65409420E+03 EK= 0.46028E+02 SP= 0.30E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330150237186E+03 0.45852E+00 -0.10235E-01 7808 0.221E+01 0.263E-01 RMM: 2 -0.330168439484E+03 -0.18202E-01 -0.93380E-02 4879 0.717E-01 0.125E+00 RMM: 3 -0.330157394693E+03 0.11045E-01 -0.11445E-02 5533 0.226E-01 0.183E-01 RMM: 4 -0.330157399989E+03 -0.52959E-05 -0.12811E-03 4710 0.809E-02 0.221E-01 RMM: 5 -0.330157189873E+03 0.21012E-03 -0.25347E-04 3885 0.404E-02 0.140E-01 RMM: 6 -0.330157056906E+03 0.13297E-03 -0.85339E-05 3602 0.272E-02 0.315E-02 RMM: 7 -0.330157056477E+03 0.42903E-06 -0.18527E-05 2518 0.131E-02 2575 T= 5629. E= 0.67486925E+03 F= 0.62611193E+03 E0= 0.65459193E+03 EK= 0.45840E+02 SP= 0.27E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330000488125E+03 0.15657E+00 -0.10004E-01 7792 0.221E+01 0.174E-01 RMM: 2 -0.330012138230E+03 -0.11650E-01 -0.68964E-02 5139 0.614E-01 0.923E-01 RMM: 3 -0.330006092326E+03 0.60459E-02 -0.71860E-03 5527 0.181E-01 0.177E-01 RMM: 4 -0.330005851617E+03 0.24071E-03 -0.58362E-04 4721 0.497E-02 0.608E-02 RMM: 5 -0.330005836079E+03 0.15538E-04 -0.66703E-05 3479 0.216E-02 2576 T= 5646. E= 0.67487143E+03 F= 0.62626315E+03 E0= 0.65479346E+03 EK= 0.45980E+02 SP= 0.24E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330159161317E+03 -0.15331E+00 -0.10515E-01 7864 0.222E+01 0.113E-01 RMM: 2 -0.330168128715E+03 -0.89674E-02 -0.79890E-02 4881 0.657E-01 0.493E-01 RMM: 3 -0.330166284907E+03 0.18438E-02 -0.87310E-03 6029 0.168E-01 0.115E-01 RMM: 4 -0.330166099237E+03 0.18567E-03 -0.33374E-04 4466 0.439E-02 0.819E-02 RMM: 5 -0.330166056329E+03 0.42908E-04 -0.45510E-05 2960 0.213E-02 0.651E-02 RMM: 6 -0.330166063706E+03 -0.73770E-05 -0.53042E-05 3288 0.200E-02 2577 T= 5705. E= 0.67487030E+03 F= 0.62610293E+03 E0= 0.65468480E+03 EK= 0.46458E+02 SP= 0.20E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330603183905E+03 -0.43713E+00 -0.10978E-01 7696 0.224E+01 0.240E-01 RMM: 2 -0.330619656268E+03 -0.16472E-01 -0.83635E-02 4807 0.695E-01 0.119E+00 RMM: 3 -0.330609847620E+03 0.98086E-02 -0.10667E-02 5431 0.227E-01 0.209E-01 RMM: 4 -0.330609585217E+03 0.26240E-03 -0.10921E-03 4677 0.700E-02 0.117E-01 RMM: 5 -0.330609576957E+03 0.82605E-05 -0.19414E-04 3875 0.344E-02 2578 T= 5802. E= 0.67486736E+03 F= 0.62565941E+03 E0= 0.65429190E+03 EK= 0.47250E+02 SP= 0.16E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331263042092E+03 -0.65346E+00 -0.11644E-01 7808 0.227E+01 0.257E-01 RMM: 2 -0.331285281692E+03 -0.22240E-01 -0.96633E-02 4958 0.755E-01 0.146E+00 RMM: 3 -0.331270904770E+03 0.14377E-01 -0.12243E-02 5415 0.249E-01 0.259E-01 RMM: 4 -0.331270417500E+03 0.48727E-03 -0.12185E-03 4736 0.715E-02 0.885E-02 RMM: 5 -0.331270377187E+03 0.40313E-04 -0.15907E-04 3888 0.320E-02 0.778E-02 RMM: 6 -0.331270339173E+03 0.38014E-04 -0.34342E-05 2855 0.172E-02 0.463E-02 RMM: 7 -0.331270341298E+03 -0.21253E-05 -0.25407E-05 2550 0.154E-02 2579 T= 5930. E= 0.67486256E+03 F= 0.62499865E+03 E0= 0.65367795E+03 EK= 0.48287E+02 SP= 0.12E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332045770956E+03 -0.77543E+00 -0.12344E-01 7704 0.230E+01 0.172E-01 RMM: 2 -0.332059048106E+03 -0.13277E-01 -0.10233E-01 4830 0.758E-01 0.799E-01 RMM: 3 -0.332054518606E+03 0.45295E-02 -0.11687E-02 5719 0.207E-01 0.162E-01 RMM: 4 -0.332054254567E+03 0.26404E-03 -0.68229E-04 4777 0.572E-02 0.922E-02 RMM: 5 -0.332054198538E+03 0.56028E-04 -0.99565E-05 3735 0.265E-02 0.588E-02 RMM: 6 -0.332054180145E+03 0.18394E-04 -0.23679E-05 2555 0.146E-02 2580 T= 6075. E= 0.67485584E+03 F= 0.62421481E+03 E0= 0.65293561E+03 EK= 0.49475E+02 SP= 0.75E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332844305484E+03 -0.79011E+00 -0.12331E-01 7632 0.234E+01 0.166E-01 RMM: 2 -0.332855962827E+03 -0.11657E-01 -0.90327E-02 5000 0.708E-01 0.756E-01 RMM: 3 -0.332852066100E+03 0.38967E-02 -0.10122E-02 5778 0.191E-01 0.139E-01 RMM: 4 -0.332851878488E+03 0.18761E-03 -0.56387E-04 4579 0.532E-02 0.114E-01 RMM: 5 -0.332851779704E+03 0.98784E-04 -0.90577E-05 3598 0.261E-02 0.572E-02 RMM: 6 -0.332851765354E+03 0.14350E-04 -0.21626E-05 2540 0.136E-02 2581 T= 6226. E= 0.67484871E+03 F= 0.62341722E+03 E0= 0.65217233E+03 EK= 0.50702E+02 SP= 0.29E+00 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333543311490E+03 -0.69153E+00 -0.12562E-01 7688 0.237E+01 0.263E-01 RMM: 2 -0.333566168145E+03 -0.22857E-01 -0.89712E-02 5069 0.734E-01 0.153E+00 RMM: 3 -0.333550349872E+03 0.15818E-01 -0.11596E-02 5429 0.245E-01 0.245E-01 RMM: 4 -0.333549921698E+03 0.42817E-03 -0.11534E-03 4720 0.698E-02 0.938E-02 RMM: 5 -0.333549889738E+03 0.31960E-04 -0.14479E-04 3871 0.306E-02 0.879E-02 RMM: 6 -0.333549841679E+03 0.48059E-04 -0.32646E-05 2783 0.174E-02 0.484E-02 RMM: 7 -0.333549843522E+03 -0.18430E-05 -0.25451E-05 2554 0.158E-02 2582 T= 6367. E= 0.67484207E+03 F= 0.62271915E+03 E0= 0.65150168E+03 EK= 0.51850E+02 SP= -.18E+00 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334040746388E+03 -0.49090E+00 -0.12296E-01 7704 0.240E+01 0.211E-01 RMM: 2 -0.334054796259E+03 -0.14050E-01 -0.86727E-02 5029 0.711E-01 0.101E+00 RMM: 3 -0.334047774758E+03 0.70215E-02 -0.97819E-03 5532 0.210E-01 0.212E-01 RMM: 4 -0.334047524267E+03 0.25049E-03 -0.92438E-04 4644 0.677E-02 0.133E-01 RMM: 5 -0.334047440262E+03 0.84005E-04 -0.16150E-04 3864 0.334E-02 0.923E-02 RMM: 6 -0.334047385527E+03 0.54736E-04 -0.36393E-05 2992 0.185E-02 0.332E-02 RMM: 7 -0.334047385585E+03 -0.58251E-07 -0.17649E-05 2502 0.132E-02 2583 T= 6485. E= 0.67483740E+03 F= 0.62222160E+03 E0= 0.65102330E+03 EK= 0.52814E+02 SP= -.66E+00 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334259784079E+03 -0.21240E+00 -0.12304E-01 8056 0.242E+01 0.184E-01 RMM: 2 -0.334273165249E+03 -0.13381E-01 -0.87428E-02 5051 0.699E-01 0.938E-01 RMM: 3 -0.334267072013E+03 0.60932E-02 -0.94988E-03 5712 0.194E-01 0.161E-01 RMM: 4 -0.334266841360E+03 0.23065E-03 -0.63369E-04 4707 0.560E-02 0.104E-01 RMM: 5 -0.334266775492E+03 0.65868E-04 -0.98094E-05 3670 0.264E-02 0.698E-02 RMM: 6 -0.334266748491E+03 0.27001E-04 -0.24987E-05 2574 0.153E-02 0.439E-02 RMM: 7 -0.334266744204E+03 0.42872E-05 -0.17394E-05 2494 0.129E-02 2584 T= 6571. E= 0.67483466E+03 F= 0.62200225E+03 E0= 0.65081386E+03 EK= 0.53510E+02 SP= -.11E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334153026584E+03 0.11372E+00 -0.13036E-01 7936 0.243E+01 0.142E-01 RMM: 2 -0.334163651058E+03 -0.10624E-01 -0.92952E-02 4889 0.718E-01 0.598E-01 RMM: 3 -0.334161028064E+03 0.26230E-02 -0.10199E-02 6033 0.188E-01 0.130E-01 RMM: 4 -0.334160790918E+03 0.23715E-03 -0.43312E-04 4629 0.492E-02 0.874E-02 RMM: 5 -0.334160736514E+03 0.54405E-04 -0.63745E-05 3372 0.247E-02 0.498E-02 RMM: 6 -0.334160727912E+03 0.86018E-05 -0.19381E-05 2512 0.130E-02 2585 T= 6617. E= 0.67483452E+03 F= 0.62210826E+03 E0= 0.65092128E+03 EK= 0.53885E+02 SP= -.16E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333713817148E+03 0.44692E+00 -0.12740E-01 7944 0.244E+01 0.171E-01 RMM: 2 -0.333727139759E+03 -0.13323E-01 -0.85449E-02 4986 0.673E-01 0.939E-01 RMM: 3 -0.333720848318E+03 0.62914E-02 -0.88514E-03 5653 0.194E-01 0.153E-01 RMM: 4 -0.333720659234E+03 0.18908E-03 -0.58816E-04 4684 0.529E-02 0.873E-02 RMM: 5 -0.333720609248E+03 0.49987E-04 -0.76165E-05 3600 0.235E-02 0.615E-02 RMM: 6 -0.333720591565E+03 0.17683E-04 -0.20114E-05 2531 0.136E-02 2586 T= 6622. E= 0.67483767E+03 F= 0.62254840E+03 E0= 0.65135389E+03 EK= 0.53926E+02 SP= -.21E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332971305822E+03 0.74930E+00 -0.12330E-01 7784 0.243E+01 0.235E-01 RMM: 2 -0.332989559373E+03 -0.18254E-01 -0.86933E-02 5064 0.689E-01 0.127E+00 RMM: 3 -0.332978250888E+03 0.11308E-01 -0.10131E-02 5453 0.228E-01 0.259E-01 RMM: 4 -0.332977748172E+03 0.50272E-03 -0.98308E-04 4667 0.667E-02 0.726E-02 RMM: 5 -0.332977721939E+03 0.26234E-04 -0.11290E-04 3960 0.264E-02 0.680E-02 RMM: 6 -0.332977697211E+03 0.24727E-04 -0.19517E-05 2551 0.130E-02 0.484E-02 RMM: 7 -0.332977702921E+03 -0.57097E-05 -0.27430E-05 2598 0.162E-02 2587 T= 6590. E= 0.67484321E+03 F= 0.62329129E+03 E0= 0.65208043E+03 EK= 0.53662E+02 SP= -.25E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331990526879E+03 0.98717E+00 -0.11985E-01 7936 0.241E+01 0.211E-01 RMM: 2 -0.332004608722E+03 -0.14082E-01 -0.91795E-02 4930 0.708E-01 0.959E-01 RMM: 3 -0.331997933231E+03 0.66755E-02 -0.10389E-02 5529 0.218E-01 0.195E-01 RMM: 4 -0.331997707721E+03 0.22551E-03 -0.90954E-04 4669 0.663E-02 0.122E-01 RMM: 5 -0.331997673243E+03 0.34478E-04 -0.14689E-04 3829 0.310E-02 0.105E-01 RMM: 6 -0.331997602857E+03 0.70386E-04 -0.43249E-05 3116 0.203E-02 0.278E-02 RMM: 7 -0.331997604502E+03 -0.16452E-05 -0.13429E-05 2490 0.116E-02 2588 T= 6527. E= 0.67485072E+03 F= 0.62427138E+03 E0= 0.65303656E+03 EK= 0.53155E+02 SP= -.30E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330864284524E+03 0.11333E+01 -0.11949E-01 8088 0.239E+01 0.217E-01 RMM: 2 -0.330881180321E+03 -0.16896E-01 -0.10434E-01 4927 0.756E-01 0.109E+00 RMM: 3 -0.330872906477E+03 0.82738E-02 -0.11750E-02 5649 0.225E-01 0.215E-01 RMM: 4 -0.330872509792E+03 0.39668E-03 -0.84789E-04 4763 0.628E-02 0.883E-02 RMM: 5 -0.330872475415E+03 0.34378E-04 -0.12103E-04 3813 0.288E-02 0.785E-02 RMM: 6 -0.330872436104E+03 0.39310E-04 -0.30725E-05 2830 0.167E-02 0.404E-02 RMM: 7 -0.330872435005E+03 0.10995E-05 -0.16821E-05 2508 0.127E-02 2589 T= 6447. E= 0.67485946E+03 F= 0.62539655E+03 E0= 0.65413145E+03 EK= 0.52498E+02 SP= -.35E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329703718411E+03 0.11687E+01 -0.11865E-01 8088 0.237E+01 0.186E-01 RMM: 2 -0.329717900433E+03 -0.14182E-01 -0.99418E-02 4909 0.755E-01 0.908E-01 RMM: 3 -0.329712171415E+03 0.57290E-02 -0.11553E-02 5718 0.217E-01 0.160E-01 RMM: 4 -0.329711931054E+03 0.24036E-03 -0.68619E-04 4919 0.551E-02 0.850E-02 RMM: 5 -0.329711892578E+03 0.38477E-04 -0.89565E-05 3637 0.264E-02 0.683E-02 RMM: 6 -0.329711867902E+03 0.24675E-04 -0.25534E-05 2628 0.154E-02 0.395E-02 RMM: 7 -0.329711868167E+03 -0.26411E-06 -0.16467E-05 2497 0.128E-02 2590 T= 6361. E= 0.67486772E+03 F= 0.62655712E+03 E0= 0.65525793E+03 EK= 0.51802E+02 SP= -.39E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328615669696E+03 0.10962E+01 -0.11644E-01 7920 0.235E+01 0.192E-01 RMM: 2 -0.328630983507E+03 -0.15314E-01 -0.11065E-01 4852 0.799E-01 0.917E-01 RMM: 3 -0.328625101579E+03 0.58819E-02 -0.12573E-02 5813 0.223E-01 0.181E-01 RMM: 4 -0.328624771327E+03 0.33025E-03 -0.73569E-04 4776 0.613E-02 0.972E-02 RMM: 5 -0.328624732554E+03 0.38774E-04 -0.11498E-04 3744 0.291E-02 0.818E-02 RMM: 6 -0.328624692299E+03 0.40254E-04 -0.33179E-05 2899 0.175E-02 0.399E-02 RMM: 7 -0.328624690449E+03 0.18508E-05 -0.14034E-05 2495 0.118E-02 2591 T= 6284. E= 0.67487509E+03 F= 0.62764430E+03 E0= 0.65630942E+03 EK= 0.51177E+02 SP= -.44E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327695556432E+03 0.92914E+00 -0.11617E-01 8088 0.234E+01 0.199E-01 RMM: 2 -0.327709614258E+03 -0.14058E-01 -0.10036E-01 5030 0.767E-01 0.916E-01 RMM: 3 -0.327703890864E+03 0.57234E-02 -0.10936E-02 5705 0.213E-01 0.171E-01 RMM: 4 -0.327703615532E+03 0.27533E-03 -0.69861E-04 4949 0.557E-02 0.851E-02 RMM: 5 -0.327703584738E+03 0.30793E-04 -0.96033E-05 3694 0.267E-02 0.790E-02 RMM: 6 -0.327703552078E+03 0.32661E-04 -0.28237E-05 2739 0.163E-02 0.421E-02 RMM: 7 -0.327703551897E+03 0.18019E-06 -0.16013E-05 2505 0.124E-02 2592 T= 6228. E= 0.67488041E+03 F= 0.62856544E+03 E0= 0.65719577E+03 EK= 0.50720E+02 SP= -.49E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326999926094E+03 0.70363E+00 -0.11862E-01 7832 0.233E+01 0.194E-01 RMM: 2 -0.327016018776E+03 -0.16093E-01 -0.11669E-01 4899 0.829E-01 0.936E-01 RMM: 3 -0.327009931573E+03 0.60872E-02 -0.13045E-02 5780 0.222E-01 0.177E-01 RMM: 4 -0.327009580529E+03 0.35104E-03 -0.73524E-04 4797 0.622E-02 0.885E-02 RMM: 5 -0.327009557315E+03 0.23213E-04 -0.11411E-04 3786 0.282E-02 0.824E-02 RMM: 6 -0.327009518479E+03 0.38836E-04 -0.29860E-05 2778 0.167E-02 0.391E-02 RMM: 7 -0.327009517473E+03 0.10060E-05 -0.12898E-05 2489 0.113E-02 2593 T= 6201. E= 0.67488271E+03 F= 0.62925947E+03 E0= 0.65785729E+03 EK= 0.50494E+02 SP= -.54E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326556584699E+03 0.45293E+00 -0.10820E-01 7920 0.233E+01 0.202E-01 RMM: 2 -0.326570383999E+03 -0.13799E-01 -0.98166E-02 5074 0.770E-01 0.922E-01 RMM: 3 -0.326564652118E+03 0.57319E-02 -0.10400E-02 5628 0.211E-01 0.164E-01 RMM: 4 -0.326564414017E+03 0.23810E-03 -0.66947E-04 4839 0.556E-02 0.872E-02 RMM: 5 -0.326564381574E+03 0.32442E-04 -0.96321E-05 3738 0.262E-02 0.830E-02 RMM: 6 -0.326564343054E+03 0.38521E-04 -0.30441E-05 2850 0.168E-02 0.400E-02 RMM: 7 -0.326564341283E+03 0.17712E-05 -0.16728E-05 2499 0.128E-02 2594 T= 6204. E= 0.67488237E+03 F= 0.62970465E+03 E0= 0.65827318E+03 EK= 0.50523E+02 SP= -.59E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326344576445E+03 0.21977E+00 -0.10731E-01 7832 0.233E+01 0.199E-01 RMM: 2 -0.326357324153E+03 -0.12748E-01 -0.87974E-02 5120 0.744E-01 0.908E-01 RMM: 3 -0.326351824387E+03 0.54998E-02 -0.91259E-03 5649 0.199E-01 0.180E-01 RMM: 4 -0.326351548040E+03 0.27635E-03 -0.63970E-04 4675 0.580E-02 0.921E-02 RMM: 5 -0.326351516189E+03 0.31851E-04 -0.10236E-04 3748 0.261E-02 0.814E-02 RMM: 6 -0.326351478256E+03 0.37932E-04 -0.26631E-05 2714 0.161E-02 0.389E-02 RMM: 7 -0.326351477642E+03 0.61405E-06 -0.13405E-05 2488 0.113E-02 2595 T= 6238. E= 0.67487976E+03 F= 0.62991751E+03 E0= 0.65845972E+03 EK= 0.50796E+02 SP= -.64E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326313839389E+03 0.37639E-01 -0.11350E-01 7648 0.234E+01 0.208E-01 RMM: 2 -0.326327583172E+03 -0.13744E-01 -0.10475E-01 5076 0.802E-01 0.866E-01 RMM: 3 -0.326322490142E+03 0.50930E-02 -0.11203E-02 5695 0.216E-01 0.151E-01 RMM: 4 -0.326322277046E+03 0.21310E-03 -0.67840E-04 4766 0.579E-02 0.113E-01 RMM: 5 -0.326322208704E+03 0.68342E-04 -0.10439E-04 3793 0.273E-02 0.792E-02 RMM: 6 -0.326322174072E+03 0.34633E-04 -0.29329E-05 2762 0.164E-02 0.414E-02 RMM: 7 -0.326322173805E+03 0.26685E-06 -0.19085E-05 2511 0.136E-02 2596 T= 6295. E= 0.67487546E+03 F= 0.62994682E+03 E0= 0.65846451E+03 EK= 0.51263E+02 SP= -.69E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326398451549E+03 -0.76277E-01 -0.11559E-01 7768 0.235E+01 0.200E-01 RMM: 2 -0.326412149002E+03 -0.13697E-01 -0.10518E-01 5087 0.804E-01 0.851E-01 RMM: 3 -0.326407344742E+03 0.48043E-02 -0.11153E-02 5780 0.211E-01 0.177E-01 RMM: 4 -0.326407044738E+03 0.30000E-03 -0.66919E-04 4702 0.611E-02 0.115E-01 RMM: 5 -0.326406975544E+03 0.69194E-04 -0.11422E-04 3826 0.285E-02 0.814E-02 RMM: 6 -0.326406939212E+03 0.36332E-04 -0.28776E-05 2777 0.166E-02 0.451E-02 RMM: 7 -0.326406939009E+03 0.20318E-06 -0.19494E-05 2514 0.135E-02 2597 T= 6368. E= 0.67487061E+03 F= 0.62986205E+03 E0= 0.65835611E+03 EK= 0.51856E+02 SP= -.74E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326523716713E+03 -0.11678E+00 -0.11510E-01 7840 0.237E+01 0.219E-01 RMM: 2 -0.326538270218E+03 -0.14554E-01 -0.10905E-01 5188 0.807E-01 0.905E-01 RMM: 3 -0.326532636607E+03 0.56336E-02 -0.11076E-02 5745 0.218E-01 0.176E-01 RMM: 4 -0.326532385294E+03 0.25131E-03 -0.71728E-04 4735 0.606E-02 0.127E-01 RMM: 5 -0.326532296774E+03 0.88520E-04 -0.11911E-04 3834 0.291E-02 0.858E-02 RMM: 6 -0.326532254850E+03 0.41924E-04 -0.33783E-05 2942 0.177E-02 0.464E-02 RMM: 7 -0.326532252824E+03 0.20260E-05 -0.27390E-05 2569 0.159E-02 2598 T= 6447. E= 0.67486612E+03 F= 0.62973674E+03 E0= 0.65820738E+03 EK= 0.52502E+02 SP= -.79E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326626886586E+03 -0.94632E-01 -0.12079E-01 7888 0.238E+01 0.197E-01 RMM: 2 -0.326641319541E+03 -0.14433E-01 -0.11976E-01 5136 0.835E-01 0.783E-01 RMM: 3 -0.326637107256E+03 0.42123E-02 -0.12309E-02 5899 0.214E-01 0.172E-01 RMM: 4 -0.326636814807E+03 0.29245E-03 -0.67731E-04 4713 0.622E-02 0.135E-01 RMM: 5 -0.326636699267E+03 0.11554E-03 -0.12495E-04 3866 0.304E-02 0.745E-02 RMM: 6 -0.326636671145E+03 0.28122E-04 -0.27658E-05 2741 0.162E-02 0.500E-02 RMM: 7 -0.326636668252E+03 0.28935E-05 -0.31043E-05 2580 0.167E-02 2599 T= 6525. E= 0.67486324E+03 F= 0.62963232E+03 E0= 0.65808066E+03 EK= 0.53137E+02 SP= -.85E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326672061247E+03 -0.35390E-01 -0.12715E-01 7992 0.239E+01 0.204E-01 RMM: 2 -0.326687262442E+03 -0.15201E-01 -0.12627E-01 5177 0.847E-01 0.788E-01 RMM: 3 -0.326682575050E+03 0.46874E-02 -0.12486E-02 5933 0.221E-01 0.158E-01 RMM: 4 -0.326682361648E+03 0.21340E-03 -0.68505E-04 4746 0.605E-02 0.144E-01 RMM: 5 -0.326682232552E+03 0.12910E-03 -0.11964E-04 3808 0.299E-02 0.786E-02 RMM: 6 -0.326682199116E+03 0.33436E-04 -0.30220E-05 2800 0.169E-02 0.495E-02 RMM: 7 -0.326682194836E+03 0.42793E-05 -0.38497E-05 2674 0.182E-02 2600 T= 6597. E= 0.67486198E+03 F= 0.62958679E+03 E0= 0.65801563E+03 EK= 0.53720E+02 SP= -.90E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326650665115E+03 0.31534E-01 -0.13026E-01 7944 0.240E+01 0.189E-01 RMM: 2 -0.326665938063E+03 -0.15273E-01 -0.12865E-01 5279 0.826E-01 0.754E-01 RMM: 3 -0.326661191970E+03 0.47461E-02 -0.10957E-02 5917 0.213E-01 0.171E-01 RMM: 4 -0.326660993515E+03 0.19845E-03 -0.66407E-04 4693 0.601E-02 0.135E-01 RMM: 5 -0.326660872306E+03 0.12121E-03 -0.11836E-04 3812 0.300E-02 0.698E-02 RMM: 6 -0.326660848796E+03 0.23511E-04 -0.25577E-05 2657 0.156E-02 0.526E-02 RMM: 7 -0.326660845621E+03 0.31742E-05 -0.40286E-05 2756 0.182E-02 2601 T= 6661. E= 0.67486292E+03 F= 0.62960814E+03 E0= 0.65802249E+03 EK= 0.54240E+02 SP= -.95E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326585617288E+03 0.75232E-01 -0.13322E-01 8160 0.240E+01 0.198E-01 RMM: 2 -0.326601648656E+03 -0.16031E-01 -0.13304E-01 5263 0.844E-01 0.782E-01 RMM: 3 -0.326596378543E+03 0.52701E-02 -0.12054E-02 6014 0.225E-01 0.166E-01 RMM: 4 -0.326596201377E+03 0.17717E-03 -0.66269E-04 4717 0.603E-02 0.140E-01 RMM: 5 -0.326596082094E+03 0.11928E-03 -0.10994E-04 3708 0.293E-02 0.800E-02 RMM: 6 -0.326596048498E+03 0.33595E-04 -0.32131E-05 2842 0.177E-02 0.487E-02 RMM: 7 -0.326596046599E+03 0.18997E-05 -0.42054E-05 2716 0.179E-02 2602 T= 6719. E= 0.67486530E+03 F= 0.62967294E+03 E0= 0.65807984E+03 EK= 0.54716E+02 SP= -.10E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326520698173E+03 0.75350E-01 -0.13381E-01 8088 0.241E+01 0.194E-01 RMM: 2 -0.326537654990E+03 -0.16957E-01 -0.13770E-01 5196 0.869E-01 0.820E-01 RMM: 3 -0.326532087554E+03 0.55674E-02 -0.13582E-02 5939 0.243E-01 0.182E-01 RMM: 4 -0.326531849701E+03 0.23785E-03 -0.73464E-04 4775 0.645E-02 0.122E-01 RMM: 5 -0.326531756437E+03 0.93265E-04 -0.11245E-04 3786 0.301E-02 0.740E-02 RMM: 6 -0.326531730663E+03 0.25774E-04 -0.26726E-05 2629 0.159E-02 0.528E-02 RMM: 7 -0.326531731479E+03 -0.81675E-06 -0.37276E-05 2698 0.174E-02 2603 T= 6777. E= 0.67486861E+03 F= 0.62973726E+03 E0= 0.65814429E+03 EK= 0.55190E+02 SP= -.11E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326507480141E+03 0.24251E-01 -0.13432E-01 8232 0.241E+01 0.190E-01 RMM: 2 -0.326523591642E+03 -0.16112E-01 -0.13193E-01 5401 0.850E-01 0.787E-01 RMM: 3 -0.326518266504E+03 0.53251E-02 -0.12301E-02 5862 0.237E-01 0.181E-01 RMM: 4 -0.326518081066E+03 0.18544E-03 -0.68192E-04 4785 0.611E-02 0.117E-01 RMM: 5 -0.326517998759E+03 0.82307E-04 -0.96297E-05 3646 0.272E-02 0.808E-02 RMM: 6 -0.326517966717E+03 0.32042E-04 -0.31159E-05 2805 0.176E-02 0.493E-02 RMM: 7 -0.326517970702E+03 -0.39845E-05 -0.30538E-05 2599 0.161E-02 2604 T= 6841. E= 0.67487045E+03 F= 0.62975102E+03 E0= 0.65816564E+03 EK= 0.55707E+02 SP= -.11E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326576269655E+03 -0.58303E-01 -0.13420E-01 7976 0.242E+01 0.195E-01 RMM: 2 -0.326593255787E+03 -0.16986E-01 -0.13439E-01 5154 0.871E-01 0.854E-01 RMM: 3 -0.326587406093E+03 0.58497E-02 -0.13751E-02 5892 0.248E-01 0.186E-01 RMM: 4 -0.326587162416E+03 0.24368E-03 -0.73058E-04 4825 0.635E-02 0.114E-01 RMM: 5 -0.326587088166E+03 0.74250E-04 -0.10649E-04 3724 0.288E-02 0.784E-02 RMM: 6 -0.326587056473E+03 0.31693E-04 -0.28942E-05 2735 0.167E-02 0.497E-02 RMM: 7 -0.326587059286E+03 -0.28131E-05 -0.28363E-05 2580 0.156E-02 2605 T= 6913. E= 0.67487008E+03 F= 0.62968193E+03 E0= 0.65810896E+03 EK= 0.56295E+02 SP= -.12E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326730947737E+03 -0.14389E+00 -0.13616E-01 8272 0.244E+01 0.186E-01 RMM: 2 -0.326746498308E+03 -0.15551E-01 -0.12564E-01 5177 0.841E-01 0.799E-01 RMM: 3 -0.326741288528E+03 0.52098E-02 -0.12028E-02 5879 0.235E-01 0.172E-01 RMM: 4 -0.326741092750E+03 0.19578E-03 -0.63848E-04 4782 0.596E-02 0.110E-01 RMM: 5 -0.326741023348E+03 0.69402E-04 -0.97117E-05 3630 0.276E-02 0.805E-02 RMM: 6 -0.326740989963E+03 0.33385E-04 -0.33959E-05 2865 0.182E-02 0.456E-02 RMM: 7 -0.326740991988E+03 -0.20253E-05 -0.25797E-05 2555 0.151E-02 2606 T= 6994. E= 0.67486780E+03 F= 0.62952800E+03 E0= 0.65797111E+03 EK= 0.56956E+02 SP= -.12E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326940368538E+03 -0.19938E+00 -0.13600E-01 8256 0.246E+01 0.195E-01 RMM: 2 -0.326956603817E+03 -0.16235E-01 -0.12779E-01 5033 0.860E-01 0.859E-01 RMM: 3 -0.326950998991E+03 0.56048E-02 -0.13135E-02 5848 0.241E-01 0.183E-01 RMM: 4 -0.326950731461E+03 0.26753E-03 -0.70787E-04 4809 0.625E-02 0.110E-01 RMM: 5 -0.326950661665E+03 0.69796E-04 -0.11366E-04 3768 0.300E-02 0.777E-02 RMM: 6 -0.326950629493E+03 0.32173E-04 -0.31936E-05 2826 0.174E-02 0.468E-02 RMM: 7 -0.326950631130E+03 -0.16374E-05 -0.25433E-05 2550 0.152E-02 2607 T= 7080. E= 0.67486447E+03 F= 0.62931836E+03 E0= 0.65777763E+03 EK= 0.57657E+02 SP= -.13E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327157278085E+03 -0.20665E+00 -0.13430E-01 8088 0.249E+01 0.185E-01 RMM: 2 -0.327172231909E+03 -0.14954E-01 -0.12512E-01 5093 0.845E-01 0.755E-01 RMM: 3 -0.327167661170E+03 0.45707E-02 -0.12512E-02 5922 0.233E-01 0.165E-01 RMM: 4 -0.327167460965E+03 0.20021E-03 -0.64178E-04 4755 0.598E-02 0.121E-01 RMM: 5 -0.327167367558E+03 0.93407E-04 -0.10471E-04 3691 0.290E-02 0.785E-02 RMM: 6 -0.327167337916E+03 0.29642E-04 -0.32951E-05 2820 0.177E-02 0.478E-02 RMM: 7 -0.327167333754E+03 0.41626E-05 -0.29990E-05 2588 0.162E-02 2608 T= 7165. E= 0.67486096E+03 F= 0.62910166E+03 E0= 0.65757622E+03 EK= 0.58346E+02 SP= -.13E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327329385999E+03 -0.16205E+00 -0.13244E-01 8360 0.251E+01 0.202E-01 RMM: 2 -0.327345122506E+03 -0.15737E-01 -0.12361E-01 5057 0.837E-01 0.862E-01 RMM: 3 -0.327339509182E+03 0.56133E-02 -0.12538E-02 5892 0.234E-01 0.193E-01 RMM: 4 -0.327339207637E+03 0.30154E-03 -0.72427E-04 4769 0.631E-02 0.115E-01 RMM: 5 -0.327339127318E+03 0.80319E-04 -0.11815E-04 3796 0.299E-02 0.823E-02 RMM: 6 -0.327339094046E+03 0.33272E-04 -0.32691E-05 2857 0.176E-02 0.509E-02 RMM: 7 -0.327339093442E+03 0.60379E-06 -0.28345E-05 2580 0.159E-02 2609 T= 7241. E= 0.67485872E+03 F= 0.62892990E+03 E0= 0.65741654E+03 EK= 0.58969E+02 SP= -.13E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327419149993E+03 -0.80056E-01 -0.13186E-01 8320 0.252E+01 0.189E-01 RMM: 2 -0.327433281730E+03 -0.14132E-01 -0.12034E-01 5068 0.822E-01 0.730E-01 RMM: 3 -0.327429080407E+03 0.42013E-02 -0.12360E-02 5972 0.228E-01 0.157E-01 RMM: 4 -0.327428878829E+03 0.20158E-03 -0.62568E-04 4764 0.576E-02 0.125E-01 RMM: 5 -0.327428774421E+03 0.10441E-03 -0.10104E-04 3687 0.283E-02 0.781E-02 RMM: 6 -0.327428748584E+03 0.25837E-04 -0.29952E-05 2662 0.166E-02 0.521E-02 RMM: 7 -0.327428736779E+03 0.11805E-04 -0.36188E-05 2670 0.173E-02 2610 T= 7305. E= 0.67485750E+03 F= 0.62884025E+03 E0= 0.65733563E+03 EK= 0.59484E+02 SP= -.14E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327406444265E+03 0.22304E-01 -0.13570E-01 8368 0.253E+01 0.189E-01 RMM: 2 -0.327420804000E+03 -0.14360E-01 -0.11902E-01 5071 0.815E-01 0.776E-01 RMM: 3 -0.327416311559E+03 0.44924E-02 -0.12082E-02 5988 0.221E-01 0.181E-01 RMM: 4 -0.327416013820E+03 0.29774E-03 -0.63855E-04 4741 0.598E-02 0.112E-01 RMM: 5 -0.327415938979E+03 0.74842E-04 -0.10506E-04 3694 0.280E-02 0.825E-02 RMM: 6 -0.327415906986E+03 0.31993E-04 -0.29904E-05 2742 0.168E-02 0.506E-02 RMM: 7 -0.327415904609E+03 0.23769E-05 -0.28228E-05 2581 0.158E-02 2611 T= 7351. E= 0.67485738E+03 F= 0.62885308E+03 E0= 0.65735260E+03 EK= 0.59866E+02 SP= -.14E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327284395033E+03 0.13151E+00 -0.13592E-01 8240 0.254E+01 0.171E-01 RMM: 2 -0.327296503763E+03 -0.12109E-01 -0.10988E-01 5258 0.769E-01 0.619E-01 RMM: 3 -0.327293244111E+03 0.32597E-02 -0.94759E-03 6102 0.192E-01 0.106E-01 RMM: 4 -0.327293145505E+03 0.98606E-04 -0.45415E-04 4709 0.482E-02 0.136E-01 RMM: 5 -0.327293025345E+03 0.12016E-03 -0.79313E-05 3540 0.257E-02 0.609E-02 RMM: 6 -0.327293013273E+03 0.12072E-04 -0.23238E-05 2559 0.143E-02 2612 T= 7381. E= 0.67485823E+03 F= 0.62897598E+03 E0= 0.65747505E+03 EK= 0.60103E+02 SP= -.14E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327048569295E+03 0.24446E+00 -0.13826E-01 8208 0.254E+01 0.177E-01 RMM: 2 -0.327064099268E+03 -0.15530E-01 -0.11409E-01 5213 0.778E-01 0.891E-01 RMM: 3 -0.327058092454E+03 0.60068E-02 -0.10235E-02 5759 0.204E-01 0.183E-01 RMM: 4 -0.327057812784E+03 0.27967E-03 -0.61166E-04 4741 0.548E-02 0.864E-02 RMM: 5 -0.327057764154E+03 0.48630E-04 -0.87133E-05 3649 0.253E-02 0.656E-02 RMM: 6 -0.327057750010E+03 0.14144E-04 -0.26058E-05 2626 0.154E-02 2613 T= 7391. E= 0.67485938E+03 F= 0.62921124E+03 E0= 0.65770581E+03 EK= 0.60192E+02 SP= -.15E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326698479819E+03 0.35928E+00 -0.13654E-01 8048 0.255E+01 0.240E-01 RMM: 2 -0.326719225357E+03 -0.20746E-01 -0.10932E-01 5171 0.790E-01 0.128E+00 RMM: 3 -0.326707383973E+03 0.11841E-01 -0.11607E-02 5498 0.238E-01 0.227E-01 RMM: 4 -0.326707009346E+03 0.37463E-03 -0.10276E-03 4716 0.688E-02 0.998E-02 RMM: 5 -0.326706971109E+03 0.38237E-04 -0.14111E-04 3871 0.309E-02 0.863E-02 RMM: 6 -0.326706927127E+03 0.43981E-04 -0.33346E-05 2864 0.176E-02 0.486E-02 RMM: 7 -0.326706928407E+03 -0.12799E-05 -0.20641E-05 2528 0.141E-02 2614 T= 7383. E= 0.67486025E+03 F= 0.62956206E+03 E0= 0.65804768E+03 EK= 0.60126E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326227292430E+03 0.47963E+00 -0.13329E-01 7912 0.255E+01 0.277E-01 RMM: 2 -0.326247337678E+03 -0.20045E-01 -0.11524E-01 5093 0.829E-01 0.125E+00 RMM: 3 -0.326236516714E+03 0.10821E-01 -0.13508E-02 5504 0.260E-01 0.285E-01 RMM: 4 -0.326235909822E+03 0.60689E-03 -0.12601E-03 4775 0.755E-02 0.928E-02 RMM: 5 -0.326235911357E+03 -0.15350E-05 -0.18531E-04 3877 0.350E-02 2615 T= 7356. E= 0.67486211E+03 F= 0.63003308E+03 E0= 0.65850578E+03 EK= 0.59901E+02 SP= -.15E+02 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325636732679E+03 0.59918E+00 -0.13291E-01 7880 0.255E+01 0.150E-01 RMM: 2 -0.325649752159E+03 -0.13019E-01 -0.10741E-01 5248 0.755E-01 0.691E-01 RMM: 3 -0.325645998899E+03 0.37533E-02 -0.96220E-03 5874 0.189E-01 0.154E-01 RMM: 4 -0.325645764333E+03 0.23457E-03 -0.48016E-04 4354 0.496E-02 0.963E-02 RMM: 5 -0.325645706951E+03 0.57381E-04 -0.70078E-05 3479 0.229E-02 0.735E-02 RMM: 6 -0.325645695315E+03 0.11636E-04 -0.29174E-05 2607 0.161E-02 2616 T= 7309. E= 0.67486488E+03 F= 0.63062329E+03 E0= 0.65907919E+03 EK= 0.59520E+02 SP= -.15E+02 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324943207398E+03 0.70250E+00 -0.13206E-01 7800 0.254E+01 0.328E-01 RMM: 2 -0.324975372906E+03 -0.32166E-01 -0.11506E-01 4938 0.831E-01 0.182E+00 RMM: 3 -0.324952193899E+03 0.23179E-01 -0.16670E-02 5391 0.305E-01 0.294E-01 RMM: 4 -0.324951579303E+03 0.61460E-03 -0.17406E-03 4913 0.846E-02 0.976E-02 RMM: 5 -0.324951588514E+03 -0.92110E-05 -0.22540E-04 3910 0.365E-02 0.115E-01 RMM: 6 -0.324951503374E+03 0.85140E-04 -0.53946E-05 3251 0.215E-02 0.411E-02 RMM: 7 -0.324951500176E+03 0.31977E-05 -0.16670E-05 2516 0.128E-02 2617 T= 7245. E= 0.67486813E+03 F= 0.63131749E+03 E0= 0.65975443E+03 EK= 0.59000E+02 SP= -.15E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324170648560E+03 0.78085E+00 -0.13131E-01 7568 0.253E+01 0.356E-01 RMM: 2 -0.324209193306E+03 -0.38545E-01 -0.12968E-01 4962 0.892E-01 0.204E+00 RMM: 3 -0.324180678048E+03 0.28515E-01 -0.19078E-02 5385 0.330E-01 0.332E-01 RMM: 4 -0.324179893509E+03 0.78454E-03 -0.20842E-03 5129 0.928E-02 0.112E-01 RMM: 5 -0.324179879138E+03 0.14371E-04 -0.25426E-04 3898 0.373E-02 0.123E-01 RMM: 6 -0.324179773280E+03 0.10586E-03 -0.67364E-05 3406 0.233E-02 0.454E-02 RMM: 7 -0.324179767962E+03 0.53181E-05 -0.19690E-05 2537 0.129E-02 2618 T= 7168. E= 0.67487223E+03 F= 0.63208922E+03 E0= 0.66050704E+03 EK= 0.58369E+02 SP= -.16E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323357352135E+03 0.82242E+00 -0.13475E-01 7544 0.252E+01 0.232E-01 RMM: 2 -0.323377866454E+03 -0.20514E-01 -0.11457E-01 4884 0.821E-01 0.125E+00 RMM: 3 -0.323367097333E+03 0.10769E-01 -0.13747E-02 5502 0.252E-01 0.230E-01 RMM: 4 -0.323366683959E+03 0.41337E-03 -0.10847E-03 4834 0.687E-02 0.832E-02 RMM: 5 -0.323366665562E+03 0.18397E-04 -0.14503E-04 3906 0.313E-02 2619 T= 7082. E= 0.67487764E+03 F= 0.63290232E+03 E0= 0.66130202E+03 EK= 0.57669E+02 SP= -.16E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322544378455E+03 0.82231E+00 -0.13227E-01 7936 0.250E+01 0.146E-01 RMM: 2 -0.322558646885E+03 -0.14268E-01 -0.12235E-01 4800 0.838E-01 0.660E-01 RMM: 3 -0.322555530753E+03 0.31161E-02 -0.14431E-02 6014 0.223E-01 0.165E-01 RMM: 4 -0.322555187506E+03 0.34325E-03 -0.59043E-04 4675 0.571E-02 0.840E-02 RMM: 5 -0.322555146669E+03 0.40838E-04 -0.80553E-05 3594 0.263E-02 0.715E-02 RMM: 6 -0.322555133685E+03 0.12984E-04 -0.28023E-05 2566 0.162E-02 2620 T= 6993. E= 0.67488311E+03 F= 0.63371386E+03 E0= 0.66209945E+03 EK= 0.56946E+02 SP= -.16E+02 SK= 0.89E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321778448953E+03 0.77670E+00 -0.14215E-01 7592 0.249E+01 0.312E-01 RMM: 2 -0.321815645823E+03 -0.37197E-01 -0.14492E-01 4689 0.949E-01 0.190E+00 RMM: 3 -0.321790410501E+03 0.25235E-01 -0.19784E-02 5376 0.324E-01 0.272E-01 RMM: 4 -0.321789898786E+03 0.51171E-03 -0.19920E-03 5230 0.872E-02 0.897E-02 RMM: 5 -0.321789914670E+03 -0.15884E-04 -0.22345E-04 3997 0.331E-02 0.110E-01 RMM: 6 -0.321789836020E+03 0.78650E-04 -0.48036E-05 3176 0.201E-02 0.384E-02 RMM: 7 -0.321789831770E+03 0.42501E-05 -0.16242E-05 2506 0.123E-02 2621 T= 6907. E= 0.67488686E+03 F= 0.63447916E+03 E0= 0.66285493E+03 EK= 0.56245E+02 SP= -.16E+02 SK= 0.49E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321104195053E+03 0.68564E+00 -0.13213E-01 7576 0.248E+01 0.351E-01 RMM: 2 -0.321145509236E+03 -0.41314E-01 -0.12209E-01 4825 0.871E-01 0.215E+00 RMM: 3 -0.321113786036E+03 0.31723E-01 -0.19086E-02 5357 0.332E-01 0.330E-01 RMM: 4 -0.321113018806E+03 0.76723E-03 -0.20889E-03 5156 0.931E-02 0.104E-01 RMM: 5 -0.321113042902E+03 -0.24096E-04 -0.26384E-04 3927 0.372E-02 0.131E-01 RMM: 6 -0.321112924131E+03 0.11877E-03 -0.68802E-05 3433 0.237E-02 0.448E-02 RMM: 7 -0.321112916922E+03 0.72086E-05 -0.20190E-05 2541 0.131E-02 2622 T= 6830. E= 0.67489115E+03 F= 0.63515607E+03 E0= 0.66352769E+03 EK= 0.55616E+02 SP= -.16E+02 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320558466416E+03 0.55446E+00 -0.13301E-01 7704 0.247E+01 0.214E-01 RMM: 2 -0.320577448693E+03 -0.18982E-01 -0.11169E-01 4766 0.814E-01 0.116E+00 RMM: 3 -0.320568130819E+03 0.93179E-02 -0.13842E-02 5493 0.249E-01 0.204E-01 RMM: 4 -0.320567798613E+03 0.33221E-03 -0.10178E-03 4853 0.662E-02 0.829E-02 RMM: 5 -0.320567788763E+03 0.98498E-05 -0.14011E-04 3926 0.315E-02 2623 T= 6767. E= 0.67489570E+03 F= 0.63570120E+03 E0= 0.66407473E+03 EK= 0.55106E+02 SP= -.16E+02 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320187482205E+03 0.38032E+00 -0.12780E-01 7688 0.246E+01 0.155E-01 RMM: 2 -0.320200360708E+03 -0.12879E-01 -0.97860E-02 4930 0.749E-01 0.768E-01 RMM: 3 -0.320196100845E+03 0.42599E-02 -0.10645E-02 5662 0.202E-01 0.153E-01 RMM: 4 -0.320195865738E+03 0.23511E-03 -0.54406E-04 4723 0.520E-02 0.852E-02 RMM: 5 -0.320195825585E+03 0.40153E-04 -0.74078E-05 3517 0.245E-02 0.675E-02 RMM: 6 -0.320195808415E+03 0.17170E-04 -0.24672E-05 2539 0.151E-02 2624 T= 6724. E= 0.67489943E+03 F= 0.63607318E+03 E0= 0.66445383E+03 EK= 0.54757E+02 SP= -.16E+02 SK= 0.41E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.320024295245E+03 0.17153E+00 -0.13826E-01 7568 0.245E+01 0.244E-01 RMM: 2 -0.320046689418E+03 -0.22394E-01 -0.12667E-01 4695 0.874E-01 0.127E+00 RMM: 3 -0.320035189432E+03 0.11500E-01 -0.15792E-02 5461 0.271E-01 0.230E-01 RMM: 4 -0.320034800708E+03 0.38872E-03 -0.12736E-03 4875 0.738E-02 0.980E-02 RMM: 5 -0.320034782283E+03 0.18425E-04 -0.17147E-04 3970 0.331E-02 2625 T= 6706. E= 0.67490376E+03 F= 0.63623421E+03 E0= 0.66462734E+03 EK= 0.54611E+02 SP= -.16E+02 SK= 0.75E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.320110499057E+03 -0.75698E-01 -0.12252E-01 7552 0.244E+01 0.272E-01 RMM: 2 -0.320133121542E+03 -0.22622E-01 -0.10013E-01 5098 0.770E-01 0.145E+00 RMM: 3 -0.320118693982E+03 0.14428E-01 -0.12562E-02 5401 0.255E-01 0.274E-01 RMM: 4 -0.320118172616E+03 0.52137E-03 -0.12552E-03 4729 0.731E-02 0.101E-01 RMM: 5 -0.320118137335E+03 0.35281E-04 -0.16539E-04 3918 0.326E-02 0.959E-02 RMM: 6 -0.320118081113E+03 0.56222E-04 -0.42064E-05 3049 0.195E-02 0.462E-02 RMM: 7 -0.320118084956E+03 -0.38437E-05 -0.21594E-05 2541 0.144E-02 2626 T= 6717. E= 0.67490764E+03 F= 0.63615090E+03 E0= 0.66456015E+03 EK= 0.54700E+02 SP= -.16E+02 SK= 0.81E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.320461338671E+03 -0.34326E+00 -0.12751E-01 7664 0.244E+01 0.236E-01 RMM: 2 -0.320481194613E+03 -0.19856E-01 -0.10992E-01 4879 0.805E-01 0.124E+00 RMM: 3 -0.320470499133E+03 0.10695E-01 -0.12889E-02 5515 0.238E-01 0.210E-01 RMM: 4 -0.320470195271E+03 0.30386E-03 -0.10751E-03 4735 0.713E-02 0.116E-01 RMM: 5 -0.320470169571E+03 0.25700E-04 -0.16870E-04 3872 0.325E-02 0.101E-01 RMM: 6 -0.320470101934E+03 0.67637E-04 -0.44371E-05 3115 0.199E-02 0.258E-02 RMM: 7 -0.320470101363E+03 0.57138E-06 -0.12210E-05 2492 0.110E-02 2627 T= 6760. E= 0.67490872E+03 F= 0.63579889E+03 E0= 0.66422746E+03 EK= 0.55047E+02 SP= -.16E+02 SK= 0.25E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.321089817638E+03 -0.61972E+00 -0.12268E-01 7744 0.245E+01 0.198E-01 RMM: 2 -0.321103716496E+03 -0.13899E-01 -0.93981E-02 5046 0.747E-01 0.932E-01 RMM: 3 -0.321097797594E+03 0.59189E-02 -0.10427E-02 5580 0.211E-01 0.175E-01 RMM: 4 -0.321097563307E+03 0.23429E-03 -0.71779E-04 4707 0.586E-02 0.103E-01 RMM: 5 -0.321097488081E+03 0.75226E-04 -0.10552E-04 3758 0.265E-02 0.745E-02 RMM: 6 -0.321097455180E+03 0.32901E-04 -0.25001E-05 2578 0.152E-02 0.407E-02 RMM: 7 -0.321097449411E+03 0.57694E-05 -0.15712E-05 2493 0.124E-02 2628 T= 6834. E= 0.67490768E+03 F= 0.63517154E+03 E0= 0.66362006E+03 EK= 0.55656E+02 SP= -.16E+02 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321975279698E+03 -0.87782E+00 -0.12276E-01 7616 0.246E+01 0.171E-01 RMM: 2 -0.321987579634E+03 -0.12300E-01 -0.96441E-02 4976 0.746E-01 0.760E-01 RMM: 3 -0.321983617497E+03 0.39621E-02 -0.10702E-02 5692 0.204E-01 0.159E-01 RMM: 4 -0.321983373114E+03 0.24438E-03 -0.59692E-04 4824 0.526E-02 0.823E-02 RMM: 5 -0.321983339153E+03 0.33961E-04 -0.82111E-05 3572 0.252E-02 0.689E-02 RMM: 6 -0.321983312064E+03 0.27088E-04 -0.23787E-05 2571 0.150E-02 0.404E-02 RMM: 7 -0.321983313881E+03 -0.18170E-05 -0.22059E-05 2526 0.143E-02 2629 T= 6939. E= 0.67490472E+03 F= 0.63428568E+03 E0= 0.66275498E+03 EK= 0.56508E+02 SP= -.16E+02 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323079820241E+03 -0.10965E+01 -0.12936E-01 7760 0.248E+01 0.212E-01 RMM: 2 -0.323094325240E+03 -0.14505E-01 -0.10322E-01 5062 0.767E-01 0.937E-01 RMM: 3 -0.323088398127E+03 0.59271E-02 -0.11316E-02 5705 0.211E-01 0.186E-01 RMM: 4 -0.323088127829E+03 0.27030E-03 -0.80488E-04 4694 0.635E-02 0.129E-01 RMM: 5 -0.323088043897E+03 0.83932E-04 -0.14194E-04 3865 0.314E-02 0.854E-02 RMM: 6 -0.323087995192E+03 0.48705E-04 -0.36121E-05 2987 0.183E-02 0.343E-02 RMM: 7 -0.323087993903E+03 0.12892E-05 -0.13995E-05 2498 0.117E-02 2630 T= 7068. E= 0.67490013E+03 F= 0.63318100E+03 E0= 0.66166969E+03 EK= 0.57559E+02 SP= -.16E+02 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324339287699E+03 -0.12513E+01 -0.14171E-01 7600 0.250E+01 0.172E-01 RMM: 2 -0.324354786723E+03 -0.15499E-01 -0.13020E-01 4908 0.848E-01 0.757E-01 RMM: 3 -0.324350777748E+03 0.40090E-02 -0.14621E-02 5890 0.222E-01 0.155E-01 RMM: 4 -0.324350449509E+03 0.32824E-03 -0.67729E-04 4826 0.588E-02 0.972E-02 RMM: 5 -0.324350388745E+03 0.60764E-04 -0.10027E-04 3718 0.275E-02 0.720E-02 RMM: 6 -0.324350362250E+03 0.26496E-04 -0.26981E-05 2567 0.157E-02 0.464E-02 RMM: 7 -0.324350358852E+03 0.33974E-05 -0.25603E-05 2567 0.151E-02 2631 T= 7213. E= 0.67489409E+03 F= 0.63191863E+03 E0= 0.66042467E+03 EK= 0.58741E+02 SP= -.16E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325682327358E+03 -0.13320E+01 -0.14138E-01 7752 0.252E+01 0.192E-01 RMM: 2 -0.325697080709E+03 -0.14753E-01 -0.11443E-01 5003 0.805E-01 0.847E-01 RMM: 3 -0.325692261002E+03 0.48197E-02 -0.12936E-02 5873 0.216E-01 0.190E-01 RMM: 4 -0.325691883166E+03 0.37784E-03 -0.71948E-04 4714 0.612E-02 0.102E-01 RMM: 5 -0.325691827637E+03 0.55528E-04 -0.11977E-04 3782 0.293E-02 0.759E-02 RMM: 6 -0.325691793439E+03 0.34198E-04 -0.28313E-05 2722 0.162E-02 0.400E-02 RMM: 7 -0.325691792793E+03 0.64575E-06 -0.16899E-05 2503 0.129E-02 2632 T= 7364. E= 0.67488719E+03 F= 0.63057720E+03 E0= 0.65909784E+03 EK= 0.59969E+02 SP= -.16E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327012593683E+03 -0.13208E+01 -0.14591E-01 7776 0.255E+01 0.188E-01 RMM: 2 -0.327028833251E+03 -0.16240E-01 -0.13677E-01 4924 0.871E-01 0.790E-01 RMM: 3 -0.327024536662E+03 0.42966E-02 -0.15458E-02 5956 0.231E-01 0.144E-01 RMM: 4 -0.327024234248E+03 0.30241E-03 -0.73944E-04 4795 0.621E-02 0.125E-01 RMM: 5 -0.327024136880E+03 0.97368E-04 -0.11566E-04 3766 0.296E-02 0.720E-02 RMM: 6 -0.327024108766E+03 0.28114E-04 -0.28437E-05 2605 0.160E-02 0.439E-02 RMM: 7 -0.327024100344E+03 0.84215E-05 -0.24411E-05 2534 0.153E-02 2633 T= 7509. E= 0.67488051E+03 F= 0.62924489E+03 E0= 0.65777626E+03 EK= 0.61148E+02 SP= -.16E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328249775339E+03 -0.12257E+01 -0.13917E-01 7920 0.257E+01 0.179E-01 RMM: 2 -0.328265202210E+03 -0.15427E-01 -0.12771E-01 5021 0.836E-01 0.782E-01 RMM: 3 -0.328260899652E+03 0.43026E-02 -0.13692E-02 6009 0.217E-01 0.175E-01 RMM: 4 -0.328260514525E+03 0.38513E-03 -0.64645E-04 4704 0.600E-02 0.103E-01 RMM: 5 -0.328260445089E+03 0.69436E-04 -0.10909E-04 3718 0.287E-02 0.708E-02 RMM: 6 -0.328260419994E+03 0.25094E-04 -0.26688E-05 2636 0.156E-02 0.474E-02 RMM: 7 -0.328260415076E+03 0.49188E-05 -0.25696E-05 2542 0.155E-02 2634 T= 7636. E= 0.67487388E+03 F= 0.62800857E+03 E0= 0.65654701E+03 EK= 0.62184E+02 SP= -.15E+02 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329308907607E+03 -0.10485E+01 -0.14682E-01 7832 0.260E+01 0.188E-01 RMM: 2 -0.329326060265E+03 -0.17153E-01 -0.15157E-01 4998 0.894E-01 0.738E-01 RMM: 3 -0.329322154455E+03 0.39058E-02 -0.16410E-02 6059 0.232E-01 0.143E-01 RMM: 4 -0.329321841261E+03 0.31319E-03 -0.74808E-04 4850 0.627E-02 0.131E-01 RMM: 5 -0.329321730317E+03 0.11094E-03 -0.11429E-04 3760 0.286E-02 0.716E-02 RMM: 6 -0.329321704000E+03 0.26317E-04 -0.28101E-05 2606 0.160E-02 0.428E-02 RMM: 7 -0.329321697078E+03 0.69221E-05 -0.23901E-05 2532 0.150E-02 2635 T= 7735. E= 0.67486873E+03 F= 0.62694729E+03 E0= 0.65548896E+03 EK= 0.62992E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330134102285E+03 -0.81240E+00 -0.15840E-01 7944 0.261E+01 0.170E-01 RMM: 2 -0.330150791179E+03 -0.16689E-01 -0.15246E-01 5062 0.889E-01 0.654E-01 RMM: 3 -0.330147428960E+03 0.33622E-02 -0.15361E-02 6188 0.220E-01 0.153E-01 RMM: 4 -0.330147066238E+03 0.36272E-03 -0.65579E-04 4675 0.624E-02 0.116E-01 RMM: 5 -0.330146975283E+03 0.90955E-04 -0.10796E-04 3698 0.286E-02 0.679E-02 RMM: 6 -0.330146953816E+03 0.21468E-04 -0.25484E-05 2586 0.152E-02 0.458E-02 RMM: 7 -0.330146947322E+03 0.64936E-05 -0.27670E-05 2572 0.158E-02 2636 T= 7798. E= 0.67486494E+03 F= 0.62612204E+03 E0= 0.65466412E+03 EK= 0.63506E+02 SP= -.15E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330684179237E+03 -0.53723E+00 -0.15667E-01 8096 0.262E+01 0.176E-01 RMM: 2 -0.330698556202E+03 -0.14377E-01 -0.13086E-01 5220 0.816E-01 0.642E-01 RMM: 3 -0.330695144107E+03 0.34121E-02 -0.11876E-02 6138 0.204E-01 0.129E-01 RMM: 4 -0.330694947066E+03 0.19704E-03 -0.54559E-04 4720 0.540E-02 0.131E-01 RMM: 5 -0.330694824086E+03 0.12298E-03 -0.88683E-05 3580 0.255E-02 0.619E-02 RMM: 6 -0.330694807255E+03 0.16831E-04 -0.23273E-05 2558 0.146E-02 2637 T= 7820. E= 0.67486281E+03 F= 0.62557418E+03 E0= 0.65411400E+03 EK= 0.63683E+02 SP= -.15E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330930056947E+03 -0.23523E+00 -0.16198E-01 8168 0.262E+01 0.183E-01 RMM: 2 -0.330947990817E+03 -0.17934E-01 -0.14327E-01 5087 0.861E-01 0.849E-01 RMM: 3 -0.330942391654E+03 0.55992E-02 -0.13997E-02 5907 0.230E-01 0.162E-01 RMM: 4 -0.330942088226E+03 0.30343E-03 -0.69163E-04 4833 0.585E-02 0.992E-02 RMM: 5 -0.330942018489E+03 0.69737E-04 -0.94388E-05 3759 0.265E-02 0.640E-02 RMM: 6 -0.330942004480E+03 0.14009E-04 -0.25107E-05 2565 0.149E-02 2638 T= 7798. E= 0.67486243E+03 F= 0.62532698E+03 E0= 0.65386367E+03 EK= 0.63500E+02 SP= -.14E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330869931405E+03 0.72087E-01 -0.16023E-01 7888 0.261E+01 0.281E-01 RMM: 2 -0.330900510634E+03 -0.30579E-01 -0.14463E-01 5038 0.892E-01 0.161E+00 RMM: 3 -0.330881889256E+03 0.18621E-01 -0.16599E-02 5482 0.286E-01 0.247E-01 RMM: 4 -0.330881407875E+03 0.48138E-03 -0.14950E-03 4889 0.811E-02 0.926E-02 RMM: 5 -0.330881377964E+03 0.29911E-04 -0.17882E-04 4148 0.309E-02 0.934E-02 RMM: 6 -0.330881325820E+03 0.52143E-04 -0.34326E-05 2878 0.177E-02 0.448E-02 RMM: 7 -0.330881333623E+03 -0.78030E-05 -0.23659E-05 2555 0.149E-02 2639 T= 7731. E= 0.67486323E+03 F= 0.62538766E+03 E0= 0.65392087E+03 EK= 0.62954E+02 SP= -.14E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330510111785E+03 0.37121E+00 -0.15735E-01 8016 0.260E+01 0.269E-01 RMM: 2 -0.330535467403E+03 -0.25356E-01 -0.14452E-01 5028 0.887E-01 0.136E+00 RMM: 3 -0.330522088150E+03 0.13379E-01 -0.15706E-02 5512 0.273E-01 0.274E-01 RMM: 4 -0.330521541028E+03 0.54712E-03 -0.14258E-03 4879 0.822E-02 0.108E-01 RMM: 5 -0.330521551788E+03 -0.10761E-04 -0.20177E-04 3905 0.349E-02 0.125E-01 RMM: 6 -0.330521447407E+03 0.10438E-03 -0.51606E-05 3219 0.212E-02 0.324E-02 RMM: 7 -0.330521449230E+03 -0.18227E-05 -0.18737E-05 2514 0.135E-02 2640 T= 7621. E= 0.67486525E+03 F= 0.62574754E+03 E0= 0.65427721E+03 EK= 0.62060E+02 SP= -.13E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329872195482E+03 0.64925E+00 -0.15635E-01 8152 0.259E+01 0.210E-01 RMM: 2 -0.329892446771E+03 -0.20251E-01 -0.14198E-01 4993 0.871E-01 0.106E+00 RMM: 3 -0.329884416719E+03 0.80301E-02 -0.14846E-02 5755 0.248E-01 0.197E-01 RMM: 4 -0.329884063200E+03 0.35352E-03 -0.89919E-04 4787 0.662E-02 0.972E-02 RMM: 5 -0.329884012410E+03 0.50790E-04 -0.12478E-04 3856 0.287E-02 0.844E-02 RMM: 6 -0.329883970833E+03 0.41576E-04 -0.32845E-05 2838 0.174E-02 0.430E-02 RMM: 7 -0.329883972959E+03 -0.21261E-05 -0.23975E-05 2549 0.150E-02 2641 T= 7472. E= 0.67486765E+03 F= 0.62638502E+03 E0= 0.65491261E+03 EK= 0.60848E+02 SP= -.13E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328987908702E+03 0.89606E+00 -0.15382E-01 8120 0.256E+01 0.209E-01 RMM: 2 -0.329006362361E+03 -0.18454E-01 -0.13794E-01 4942 0.874E-01 0.965E-01 RMM: 3 -0.328999760624E+03 0.66017E-02 -0.14800E-02 5928 0.241E-01 0.184E-01 RMM: 4 -0.328999389742E+03 0.37088E-03 -0.82110E-04 4723 0.665E-02 0.107E-01 RMM: 5 -0.328999338364E+03 0.51378E-04 -0.12555E-04 3785 0.306E-02 0.787E-02 RMM: 6 -0.328999302066E+03 0.36298E-04 -0.30800E-05 2825 0.169E-02 0.361E-02 RMM: 7 -0.328999305319E+03 -0.32529E-05 -0.17814E-05 2508 0.136E-02 2642 T= 7289. E= 0.67487102E+03 F= 0.62726968E+03 E0= 0.65579667E+03 EK= 0.59361E+02 SP= -.12E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327899107613E+03 0.11002E+01 -0.15450E-01 7872 0.253E+01 0.197E-01 RMM: 2 -0.327918508612E+03 -0.19401E-01 -0.16363E-01 4796 0.954E-01 0.815E-01 RMM: 3 -0.327913585361E+03 0.49233E-02 -0.18777E-02 6007 0.260E-01 0.161E-01 RMM: 4 -0.327913196456E+03 0.38891E-03 -0.83296E-04 4833 0.669E-02 0.116E-01 RMM: 5 -0.327913121891E+03 0.74565E-04 -0.12376E-04 3839 0.310E-02 0.810E-02 RMM: 6 -0.327913084483E+03 0.37408E-04 -0.34543E-05 2818 0.179E-02 0.395E-02 RMM: 7 -0.327913086100E+03 -0.16169E-05 -0.23547E-05 2532 0.149E-02 2643 T= 7080. E= 0.67487528E+03 F= 0.62835590E+03 E0= 0.65688487E+03 EK= 0.57655E+02 SP= -.12E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326674816324E+03 0.12383E+01 -0.14482E-01 7920 0.250E+01 0.211E-01 RMM: 2 -0.326693395091E+03 -0.18579E-01 -0.13752E-01 4915 0.876E-01 0.982E-01 RMM: 3 -0.326686646919E+03 0.67482E-02 -0.15047E-02 5900 0.244E-01 0.188E-01 RMM: 4 -0.326686286724E+03 0.36020E-03 -0.83539E-04 4736 0.666E-02 0.110E-01 RMM: 5 -0.326686234057E+03 0.52667E-04 -0.13239E-04 3842 0.317E-02 0.865E-02 RMM: 6 -0.326686190032E+03 0.44025E-04 -0.36373E-05 2924 0.183E-02 0.400E-02 RMM: 7 -0.326686194443E+03 -0.44107E-05 -0.21896E-05 2524 0.147E-02 2644 T= 6853. E= 0.67488097E+03 F= 0.62958279E+03 E0= 0.65811540E+03 EK= 0.55805E+02 SP= -.11E+02 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325386060183E+03 0.13001E+01 -0.14381E-01 7880 0.246E+01 0.195E-01 RMM: 2 -0.325403332562E+03 -0.17272E-01 -0.14136E-01 4811 0.898E-01 0.821E-01 RMM: 3 -0.325398407706E+03 0.49249E-02 -0.16137E-02 5916 0.250E-01 0.173E-01 RMM: 4 -0.325398065373E+03 0.34233E-03 -0.77981E-04 4825 0.643E-02 0.110E-01 RMM: 5 -0.325398001718E+03 0.63655E-04 -0.11945E-04 3761 0.308E-02 0.811E-02 RMM: 6 -0.325397964163E+03 0.37555E-04 -0.34523E-05 2872 0.180E-02 0.391E-02 RMM: 7 -0.325397966692E+03 -0.25289E-05 -0.20460E-05 2514 0.142E-02 2645 T= 6619. E= 0.67488782E+03 F= 0.63087102E+03 E0= 0.65940909E+03 EK= 0.53902E+02 SP= -.11E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324135211746E+03 0.12628E+01 -0.12938E-01 7784 0.242E+01 0.199E-01 RMM: 2 -0.324150510184E+03 -0.15298E-01 -0.11585E-01 4985 0.812E-01 0.885E-01 RMM: 3 -0.324145031185E+03 0.54790E-02 -0.12330E-02 5849 0.226E-01 0.169E-01 RMM: 4 -0.324144788787E+03 0.24240E-03 -0.70176E-04 4720 0.608E-02 0.118E-01 RMM: 5 -0.324144713451E+03 0.75336E-04 -0.11294E-04 3738 0.298E-02 0.840E-02 RMM: 6 -0.324144671356E+03 0.42095E-04 -0.34502E-05 2887 0.180E-02 0.409E-02 RMM: 7 -0.324144672312E+03 -0.95672E-06 -0.27962E-05 2552 0.164E-02 2646 T= 6392. E= 0.67489557E+03 F= 0.63212432E+03 E0= 0.66066829E+03 EK= 0.52052E+02 SP= -.10E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323026455020E+03 0.11182E+01 -0.12517E-01 7744 0.238E+01 0.180E-01 RMM: 2 -0.323040863757E+03 -0.14409E-01 -0.12313E-01 4923 0.839E-01 0.711E-01 RMM: 3 -0.323037160438E+03 0.37033E-02 -0.13670E-02 5984 0.226E-01 0.154E-01 RMM: 4 -0.323036893376E+03 0.26706E-03 -0.62875E-04 4764 0.588E-02 0.116E-01 RMM: 5 -0.323036806426E+03 0.86949E-04 -0.98772E-05 3633 0.280E-02 0.729E-02 RMM: 6 -0.323036778890E+03 0.27537E-04 -0.30042E-05 2702 0.170E-02 0.407E-02 RMM: 7 -0.323036780306E+03 -0.14165E-05 -0.21185E-05 2519 0.142E-02 2647 T= 6185. E= 0.67490346E+03 F= 0.63323221E+03 E0= 0.66178255E+03 EK= 0.50371E+02 SP= -.94E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322179063844E+03 0.85772E+00 -0.11713E-01 7848 0.234E+01 0.182E-01 RMM: 2 -0.322193091395E+03 -0.14028E-01 -0.11469E-01 5001 0.798E-01 0.761E-01 RMM: 3 -0.322188833976E+03 0.42574E-02 -0.12128E-02 5966 0.217E-01 0.149E-01 RMM: 4 -0.322188613242E+03 0.22073E-03 -0.60676E-04 4737 0.572E-02 0.119E-01 RMM: 5 -0.322188525160E+03 0.88082E-04 -0.95664E-05 3617 0.275E-02 0.757E-02 RMM: 6 -0.322188494245E+03 0.30915E-04 -0.29364E-05 2711 0.167E-02 0.421E-02 RMM: 7 -0.322188493674E+03 0.57072E-06 -0.29593E-05 2577 0.166E-02 2648 T= 6014. E= 0.67491040E+03 F= 0.63408050E+03 E0= 0.66263685E+03 EK= 0.48977E+02 SP= -.88E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321689495378E+03 0.49900E+00 -0.12136E-01 7808 0.230E+01 0.170E-01 RMM: 2 -0.321705953060E+03 -0.16458E-01 -0.14484E-01 4908 0.886E-01 0.677E-01 RMM: 3 -0.321702207278E+03 0.37458E-02 -0.15762E-02 6096 0.231E-01 0.152E-01 RMM: 4 -0.321701862895E+03 0.34438E-03 -0.67561E-04 4763 0.630E-02 0.112E-01 RMM: 5 -0.321701778112E+03 0.84783E-04 -0.98763E-05 3637 0.276E-02 0.665E-02 RMM: 6 -0.321701759810E+03 0.18302E-04 -0.26361E-05 2586 0.158E-02 2649 T= 5891. E= 0.67491588E+03 F= 0.63456723E+03 E0= 0.66312956E+03 EK= 0.47974E+02 SP= -.83E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321643694896E+03 0.58083E-01 -0.11618E-01 7944 0.228E+01 0.215E-01 RMM: 2 -0.321665545331E+03 -0.21850E-01 -0.13136E-01 5065 0.828E-01 0.121E+00 RMM: 3 -0.321654924691E+03 0.10621E-01 -0.14249E-02 5622 0.249E-01 0.204E-01 RMM: 4 -0.321654557981E+03 0.36671E-03 -0.97805E-04 4860 0.652E-02 0.936E-02 RMM: 5 -0.321654505100E+03 0.52880E-04 -0.10903E-04 4022 0.271E-02 0.758E-02 RMM: 6 -0.321654486532E+03 0.18569E-04 -0.23615E-05 2573 0.143E-02 2650 T= 5825. E= 0.67491962E+03 F= 0.63461450E+03 E0= 0.66318283E+03 EK= 0.47437E+02 SP= -.77E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322085058093E+03 -0.43055E+00 -0.11438E-01 8176 0.227E+01 0.334E-01 RMM: 2 -0.322120863808E+03 -0.35806E-01 -0.13700E-01 4964 0.866E-01 0.188E+00 RMM: 3 -0.322096191909E+03 0.24672E-01 -0.18269E-02 5389 0.317E-01 0.356E-01 RMM: 4 -0.322095265292E+03 0.92662E-03 -0.20343E-03 5086 0.931E-02 0.941E-02 RMM: 5 -0.322095235859E+03 0.29433E-04 -0.24349E-04 4715 0.297E-02 0.948E-02 RMM: 6 -0.322095193382E+03 0.42477E-04 -0.26237E-05 2643 0.157E-02 0.655E-02 RMM: 7 -0.322095222141E+03 -0.28759E-04 -0.36525E-05 2909 0.176E-02 0.956E-02 RMM: 8 -0.322095173895E+03 0.48246E-04 -0.10336E-04 3909 0.215E-02 0.502E-02 RMM: 9 -0.322095159710E+03 0.14184E-04 -0.19380E-05 2600 0.128E-02 2651 T= 5822. E= 0.67492048E+03 F= 0.63417383E+03 E0= 0.66274821E+03 EK= 0.47412E+02 SP= -.72E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323027457357E+03 -0.93228E+00 -0.11973E-01 8552 0.227E+01 0.276E-01 RMM: 2 -0.323052381925E+03 -0.24925E-01 -0.14122E-01 5029 0.834E-01 0.135E+00 RMM: 3 -0.323039347983E+03 0.13034E-01 -0.15458E-02 5430 0.273E-01 0.272E-01 RMM: 4 -0.323039019761E+03 0.32822E-03 -0.18232E-03 5056 0.948E-02 0.193E-01 RMM: 5 -0.323038889805E+03 0.12996E-03 -0.29316E-04 3961 0.409E-02 0.151E-01 RMM: 6 -0.323038741307E+03 0.14850E-03 -0.84168E-05 3580 0.264E-02 0.380E-02 RMM: 7 -0.323038757622E+03 -0.16315E-04 -0.29371E-05 2759 0.158E-02 2652 T= 5883. E= 0.67491867E+03 F= 0.63323023E+03 E0= 0.66181071E+03 EK= 0.47909E+02 SP= -.67E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324454656227E+03 -0.14159E+01 -0.12738E-01 8840 0.228E+01 0.232E-01 RMM: 2 -0.324477294334E+03 -0.22638E-01 -0.14114E-01 5150 0.828E-01 0.120E+00 RMM: 3 -0.324466576473E+03 0.10718E-01 -0.13728E-02 5625 0.245E-01 0.248E-01 RMM: 4 -0.324466061132E+03 0.51534E-03 -0.10660E-03 4876 0.684E-02 0.878E-02 RMM: 5 -0.324466032101E+03 0.29031E-04 -0.12737E-04 3954 0.276E-02 0.817E-02 RMM: 6 -0.324466005764E+03 0.26337E-04 -0.24127E-05 2584 0.143E-02 0.643E-02 RMM: 7 -0.324466021169E+03 -0.15405E-04 -0.46613E-05 3138 0.196E-02 2653 T= 6005. E= 0.67491387E+03 F= 0.63180297E+03 E0= 0.66039001E+03 EK= 0.48900E+02 SP= -.62E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326306375462E+03 -0.18404E+01 -0.14328E-01 8976 0.231E+01 0.183E-01 RMM: 2 -0.326325674633E+03 -0.19299E-01 -0.15251E-01 5160 0.828E-01 0.867E-01 RMM: 3 -0.326319517719E+03 0.61569E-02 -0.14029E-02 5827 0.228E-01 0.147E-01 RMM: 4 -0.326319259508E+03 0.25821E-03 -0.80763E-04 4846 0.609E-02 0.125E-01 RMM: 5 -0.326319169316E+03 0.90191E-04 -0.11431E-04 3772 0.282E-02 0.690E-02 RMM: 6 -0.326319147584E+03 0.21733E-04 -0.26737E-05 2637 0.155E-02 0.488E-02 RMM: 7 -0.326319152928E+03 -0.53440E-05 -0.28656E-05 2631 0.161E-02 2654 T= 6179. E= 0.67490561E+03 F= 0.62994984E+03 E0= 0.65854302E+03 EK= 0.50321E+02 SP= -.58E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328481138734E+03 -0.21620E+01 -0.17664E-01 8784 0.235E+01 0.220E-01 RMM: 2 -0.328506011609E+03 -0.24873E-01 -0.19300E-01 4986 0.958E-01 0.103E+00 RMM: 3 -0.328497938390E+03 0.80732E-02 -0.19082E-02 5914 0.263E-01 0.215E-01 RMM: 4 -0.328497376051E+03 0.56234E-03 -0.10755E-03 4929 0.712E-02 0.107E-01 RMM: 5 -0.328497324396E+03 0.51655E-04 -0.15878E-04 3909 0.322E-02 0.884E-02 RMM: 6 -0.328497283877E+03 0.40519E-04 -0.40125E-05 3022 0.185E-02 0.558E-02 RMM: 7 -0.328497285632E+03 -0.17550E-05 -0.46178E-05 2932 0.198E-02 2655 T= 6393. E= 0.67489414E+03 F= 0.62777170E+03 E0= 0.65637242E+03 EK= 0.52062E+02 SP= -.53E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330843887225E+03 -0.23466E+01 -0.19287E-01 8984 0.240E+01 0.180E-01 RMM: 2 -0.330863764570E+03 -0.19877E-01 -0.17643E-01 5267 0.871E-01 0.717E-01 RMM: 3 -0.330858998145E+03 0.47664E-02 -0.13880E-02 6089 0.221E-01 0.141E-01 RMM: 4 -0.330858730419E+03 0.26773E-03 -0.69963E-04 4766 0.584E-02 0.126E-01 RMM: 5 -0.330858624252E+03 0.10617E-03 -0.11133E-04 3778 0.273E-02 0.688E-02 RMM: 6 -0.330858610196E+03 0.14056E-04 -0.28419E-05 2673 0.158E-02 2656 T= 6628. E= 0.67488005E+03 F= 0.62541038E+03 E0= 0.65401957E+03 EK= 0.53973E+02 SP= -.49E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333215958719E+03 -0.23573E+01 -0.21165E-01 8952 0.245E+01 0.235E-01 RMM: 2 -0.333243151408E+03 -0.27193E-01 -0.19436E-01 5272 0.920E-01 0.117E+00 RMM: 3 -0.333232496579E+03 0.10655E-01 -0.15690E-02 5609 0.259E-01 0.201E-01 RMM: 4 -0.333232152908E+03 0.34367E-03 -0.12042E-03 5080 0.693E-02 0.117E-01 RMM: 5 -0.333232066026E+03 0.86882E-04 -0.14457E-04 3955 0.309E-02 0.772E-02 RMM: 6 -0.333232044609E+03 0.21417E-04 -0.32046E-05 2724 0.165E-02 0.642E-02 RMM: 7 -0.333232057841E+03 -0.13232E-04 -0.54624E-05 3265 0.203E-02 2657 T= 6861. E= 0.67486500E+03 F= 0.62303693E+03 E0= 0.65165594E+03 EK= 0.55874E+02 SP= -.44E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335426830330E+03 -0.21948E+01 -0.21058E-01 8984 0.250E+01 0.258E-01 RMM: 2 -0.335455512137E+03 -0.28682E-01 -0.19585E-01 5259 0.932E-01 0.128E+00 RMM: 3 -0.335443430265E+03 0.12082E-01 -0.16695E-02 5758 0.258E-01 0.238E-01 RMM: 4 -0.335442962492E+03 0.46777E-03 -0.13847E-03 4767 0.812E-02 0.147E-01 RMM: 5 -0.335442864698E+03 0.97794E-04 -0.22259E-04 3896 0.376E-02 0.105E-01 RMM: 6 -0.335442794883E+03 0.69815E-04 -0.57330E-05 3297 0.218E-02 0.478E-02 RMM: 7 -0.335442801176E+03 -0.62938E-05 -0.31521E-05 2646 0.163E-02 2658 T= 7071. E= 0.67485131E+03 F= 0.62082619E+03 E0= 0.64945612E+03 EK= 0.57583E+02 SP= -.40E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337326077327E+03 -0.18833E+01 -0.22141E-01 9032 0.254E+01 0.195E-01 RMM: 2 -0.337349692791E+03 -0.23615E-01 -0.20195E-01 5365 0.937E-01 0.838E-01 RMM: 3 -0.337343521758E+03 0.61710E-02 -0.16012E-02 5904 0.239E-01 0.169E-01 RMM: 4 -0.337343167979E+03 0.35378E-03 -0.87366E-04 4977 0.625E-02 0.122E-01 RMM: 5 -0.337343066806E+03 0.10117E-03 -0.12747E-04 3868 0.286E-02 0.789E-02 RMM: 6 -0.337343046795E+03 0.20011E-04 -0.35607E-05 2891 0.173E-02 0.712E-02 RMM: 7 -0.337343045328E+03 0.14666E-05 -0.92072E-05 3853 0.237E-02 2659 T= 7239. E= 0.67484167E+03 F= 0.61892594E+03 E0= 0.64756852E+03 EK= 0.58949E+02 SP= -.35E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338827228436E+03 -0.14842E+01 -0.22194E-01 9104 0.257E+01 0.214E-01 RMM: 2 -0.338850678915E+03 -0.23450E-01 -0.19564E-01 5246 0.938E-01 0.902E-01 RMM: 3 -0.338844085522E+03 0.65934E-02 -0.16339E-02 5908 0.246E-01 0.184E-01 RMM: 4 -0.338843728095E+03 0.35743E-03 -0.95826E-04 4851 0.666E-02 0.134E-01 RMM: 5 -0.338843623985E+03 0.10411E-03 -0.14230E-04 3884 0.306E-02 0.828E-02 RMM: 6 -0.338843591763E+03 0.32221E-04 -0.35826E-05 2943 0.177E-02 0.580E-02 RMM: 7 -0.338843602036E+03 -0.10273E-04 -0.50893E-05 3148 0.200E-02 2660 T= 7353. E= 0.67483736E+03 F= 0.61742539E+03 E0= 0.64608237E+03 EK= 0.59879E+02 SP= -.30E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339909072852E+03 -0.10655E+01 -0.21747E-01 8984 0.258E+01 0.203E-01 RMM: 2 -0.339931621183E+03 -0.22548E-01 -0.18980E-01 5310 0.925E-01 0.854E-01 RMM: 3 -0.339925531674E+03 0.60895E-02 -0.15839E-02 5908 0.241E-01 0.190E-01 RMM: 4 -0.339925132887E+03 0.39879E-03 -0.88529E-04 4839 0.645E-02 0.114E-01 RMM: 5 -0.339925052251E+03 0.80636E-04 -0.12511E-04 3920 0.274E-02 0.769E-02 RMM: 6 -0.339925032622E+03 0.19629E-04 -0.27995E-05 2654 0.158E-02 2661 T= 7411. E= 0.67483726E+03 F= 0.61634396E+03 E0= 0.64501660E+03 EK= 0.60350E+02 SP= -.25E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340598015527E+03 -0.67296E+00 -0.20047E-01 8872 0.257E+01 0.292E-01 RMM: 2 -0.340634981411E+03 -0.36966E-01 -0.18929E-01 5207 0.926E-01 0.172E+00 RMM: 3 -0.340613695020E+03 0.21286E-01 -0.18468E-02 5449 0.294E-01 0.262E-01 RMM: 4 -0.340613186776E+03 0.50824E-03 -0.17541E-03 5208 0.782E-02 0.109E-01 RMM: 5 -0.340613116871E+03 0.69905E-04 -0.15206E-04 4234 0.302E-02 0.933E-02 RMM: 6 -0.340613098733E+03 0.18138E-04 -0.38138E-05 2883 0.179E-02 2662 T= 7415. E= 0.67483775E+03 F= 0.61565589E+03 E0= 0.64434540E+03 EK= 0.60386E+02 SP= -.19E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340921113451E+03 -0.30800E+00 -0.17279E-01 8552 0.256E+01 0.476E-01 RMM: 2 -0.340990106456E+03 -0.68993E-01 -0.17375E-01 5077 0.919E-01 0.281E+00 RMM: 3 -0.340934401285E+03 0.55705E-01 -0.28925E-02 5388 0.407E-01 0.483E-01 RMM: 4 -0.340932673105E+03 0.17282E-02 -0.34895E-03 5363 0.120E-01 0.113E-01 RMM: 5 -0.340932648947E+03 0.24158E-04 -0.40344E-04 4443 0.364E-02 0.122E-01 RMM: 6 -0.340932561258E+03 0.87689E-04 -0.61018E-05 3362 0.226E-02 0.606E-02 RMM: 7 -0.340932618126E+03 -0.56868E-04 -0.70210E-05 3564 0.209E-02 0.114E-01 RMM: 8 -0.340932543973E+03 0.74153E-04 -0.84476E-05 3869 0.221E-02 0.416E-02 RMM: 9 -0.340932537211E+03 0.67618E-05 -0.19568E-05 2564 0.128E-02 2663 T= 7369. E= 0.67483592E+03 F= 0.61533645E+03 E0= 0.64404245E+03 EK= 0.60013E+02 SP= -.13E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340861790360E+03 0.70754E-01 -0.16305E-01 8504 0.255E+01 0.439E-01 RMM: 2 -0.340914144467E+03 -0.52354E-01 -0.16803E-01 4977 0.905E-01 0.238E+00 RMM: 3 -0.340874730468E+03 0.39414E-01 -0.23169E-02 5365 0.365E-01 0.472E-01 RMM: 4 -0.340873194092E+03 0.15364E-02 -0.31789E-03 5309 0.120E-01 0.140E-01 RMM: 5 -0.340873289338E+03 -0.95246E-04 -0.42379E-04 3960 0.463E-02 0.190E-01 RMM: 6 -0.340873054287E+03 0.23505E-03 -0.12604E-04 3849 0.315E-02 0.511E-02 RMM: 7 -0.340873059667E+03 -0.53802E-05 -0.32290E-05 2877 0.157E-02 2664 T= 7273. E= 0.67483324E+03 F= 0.61539593E+03 E0= 0.64411644E+03 EK= 0.59229E+02 SP= -.66E+00 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340387783114E+03 0.48527E+00 -0.15496E-01 8784 0.253E+01 0.259E-01 RMM: 2 -0.340413822023E+03 -0.26039E-01 -0.14507E-01 5345 0.808E-01 0.140E+00 RMM: 3 -0.340399404054E+03 0.14418E-01 -0.12586E-02 5411 0.250E-01 0.266E-01 RMM: 4 -0.340398908531E+03 0.49552E-03 -0.13079E-03 4855 0.729E-02 0.964E-02 RMM: 5 -0.340398870446E+03 0.38085E-04 -0.15176E-04 3913 0.310E-02 0.892E-02 RMM: 6 -0.340398828559E+03 0.41886E-04 -0.32113E-05 2794 0.170E-02 0.562E-02 RMM: 7 -0.340398841228E+03 -0.12669E-04 -0.35549E-05 2900 0.178E-02 2665 T= 7124. E= 0.67483246E+03 F= 0.61587015E+03 E0= 0.64460105E+03 EK= 0.58012E+02 SP= 0.15E-01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339479436200E+03 0.91939E+00 -0.15915E-01 8528 0.250E+01 0.224E-01 RMM: 2 -0.339501964422E+03 -0.22528E-01 -0.15771E-01 5159 0.849E-01 0.110E+00 RMM: 3 -0.339492444100E+03 0.95203E-02 -0.13603E-02 5650 0.246E-01 0.207E-01 RMM: 4 -0.339492107210E+03 0.33689E-03 -0.10774E-03 4890 0.681E-02 0.112E-01 RMM: 5 -0.339492035730E+03 0.71480E-04 -0.13243E-04 3858 0.303E-02 0.834E-02 RMM: 6 -0.339492001614E+03 0.34116E-04 -0.29750E-05 2654 0.163E-02 0.542E-02 RMM: 7 -0.339492008108E+03 -0.64932E-05 -0.32293E-05 2694 0.164E-02 2666 T= 6921. E= 0.67483479E+03 F= 0.61677698E+03 E0= 0.64551237E+03 EK= 0.56358E+02 SP= 0.71E+00 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338174541942E+03 0.13175E+01 -0.15305E-01 8792 0.246E+01 0.207E-01 RMM: 2 -0.338194517687E+03 -0.19976E-01 -0.15267E-01 5232 0.814E-01 0.956E-01 RMM: 3 -0.338186970936E+03 0.75468E-02 -0.12559E-02 5728 0.229E-01 0.173E-01 RMM: 4 -0.338186721059E+03 0.24988E-03 -0.88281E-04 4988 0.606E-02 0.117E-01 RMM: 5 -0.338186641222E+03 0.79836E-04 -0.10585E-04 3733 0.272E-02 0.808E-02 RMM: 6 -0.338186613323E+03 0.27900E-04 -0.30118E-05 2711 0.164E-02 0.620E-02 RMM: 7 -0.338186621823E+03 -0.84999E-05 -0.56751E-05 3195 0.194E-02 2667 T= 6670. E= 0.67484187E+03 F= 0.61808237E+03 E0= 0.64681610E+03 EK= 0.54317E+02 SP= 0.14E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336568267776E+03 0.16183E+01 -0.14917E-01 8296 0.241E+01 0.204E-01 RMM: 2 -0.336588904811E+03 -0.20637E-01 -0.15953E-01 5090 0.859E-01 0.943E-01 RMM: 3 -0.336581740950E+03 0.71639E-02 -0.14251E-02 5854 0.240E-01 0.188E-01 RMM: 4 -0.336581416362E+03 0.32459E-03 -0.90327E-04 4830 0.650E-02 0.116E-01 RMM: 5 -0.336581330115E+03 0.86247E-04 -0.12016E-04 3775 0.286E-02 0.769E-02 RMM: 6 -0.336581304966E+03 0.25149E-04 -0.29885E-05 2721 0.163E-02 0.576E-02 RMM: 7 -0.336581312568E+03 -0.76023E-05 -0.43829E-05 2841 0.178E-02 2668 T= 6386. E= 0.67485266E+03 F= 0.61968768E+03 E0= 0.64841434E+03 EK= 0.52003E+02 SP= 0.21E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334812663892E+03 0.17686E+01 -0.14423E-01 8464 0.235E+01 0.183E-01 RMM: 2 -0.334829989383E+03 -0.17325E-01 -0.13939E-01 5334 0.783E-01 0.835E-01 RMM: 3 -0.334824140635E+03 0.58487E-02 -0.10346E-02 5896 0.209E-01 0.179E-01 RMM: 4 -0.334823883737E+03 0.25690E-03 -0.68035E-04 4767 0.565E-02 0.106E-01 RMM: 5 -0.334823806837E+03 0.76900E-04 -0.94656E-05 3598 0.264E-02 0.732E-02 RMM: 6 -0.334823782678E+03 0.24159E-04 -0.28087E-05 2673 0.160E-02 0.566E-02 RMM: 7 -0.334823773656E+03 0.90221E-05 -0.65994E-05 3363 0.208E-02 2669 T= 6088. E= 0.67486462E+03 F= 0.62144522E+03 E0= 0.65016045E+03 EK= 0.49574E+02 SP= 0.28E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333071156648E+03 0.17526E+01 -0.13529E-01 8192 0.229E+01 0.189E-01 RMM: 2 -0.333087791145E+03 -0.16634E-01 -0.13121E-01 5138 0.783E-01 0.834E-01 RMM: 3 -0.333082160377E+03 0.56308E-02 -0.11513E-02 5894 0.218E-01 0.181E-01 RMM: 4 -0.333081881603E+03 0.27877E-03 -0.73524E-04 4760 0.588E-02 0.106E-01 RMM: 5 -0.333081804311E+03 0.77291E-04 -0.10094E-04 3651 0.272E-02 0.752E-02 RMM: 6 -0.333081776479E+03 0.27832E-04 -0.27370E-05 2607 0.158E-02 0.525E-02 RMM: 7 -0.333081772947E+03 0.35325E-05 -0.41909E-05 2724 0.175E-02 2670 T= 5797. E= 0.67487568E+03 F= 0.62318722E+03 E0= 0.65188918E+03 EK= 0.47206E+02 SP= 0.35E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331502351803E+03 0.15794E+01 -0.12116E-01 8248 0.224E+01 0.171E-01 RMM: 2 -0.331515962746E+03 -0.13611E-01 -0.11181E-01 5175 0.727E-01 0.731E-01 RMM: 3 -0.331511638351E+03 0.43244E-02 -0.95406E-03 6031 0.195E-01 0.170E-01 RMM: 4 -0.331511367165E+03 0.27119E-03 -0.55131E-04 4704 0.519E-02 0.909E-02 RMM: 5 -0.331511312733E+03 0.54432E-04 -0.79443E-05 3546 0.248E-02 0.668E-02 RMM: 6 -0.331511293415E+03 0.19318E-04 -0.24093E-05 2573 0.149E-02 2671 T= 5533. E= 0.67488452E+03 F= 0.62475770E+03 E0= 0.65344591E+03 EK= 0.45061E+02 SP= 0.42E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330222589666E+03 0.12887E+01 -0.11220E-01 8144 0.219E+01 0.232E-01 RMM: 2 -0.330243324322E+03 -0.20735E-01 -0.10497E-01 5092 0.709E-01 0.129E+00 RMM: 3 -0.330231071606E+03 0.12253E-01 -0.10905E-02 5425 0.231E-01 0.228E-01 RMM: 4 -0.330230700046E+03 0.37156E-03 -0.10530E-03 4849 0.649E-02 0.899E-02 RMM: 5 -0.330230649661E+03 0.50384E-04 -0.10990E-04 3856 0.271E-02 0.735E-02 RMM: 6 -0.330230626295E+03 0.23366E-04 -0.25207E-05 2579 0.147E-02 0.628E-02 RMM: 7 -0.330230646001E+03 -0.19706E-04 -0.52736E-05 3208 0.199E-02 2672 T= 5312. E= 0.67489001E+03 F= 0.62603834E+03 E0= 0.65471430E+03 EK= 0.43258E+02 SP= 0.48E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329302107704E+03 0.92852E+00 -0.10248E-01 7824 0.216E+01 0.253E-01 RMM: 2 -0.329320111084E+03 -0.18003E-01 -0.94021E-02 4987 0.692E-01 0.122E+00 RMM: 3 -0.329309583575E+03 0.10528E-01 -0.10541E-02 5423 0.232E-01 0.290E-01 RMM: 4 -0.329309014370E+03 0.56920E-03 -0.12505E-03 4692 0.764E-02 0.967E-02 RMM: 5 -0.329309055379E+03 -0.41009E-04 -0.20552E-04 3899 0.361E-02 0.129E-01 RMM: 6 -0.329308944208E+03 0.11117E-03 -0.60751E-05 3358 0.230E-02 0.328E-02 RMM: 7 -0.329308946576E+03 -0.23680E-05 -0.16579E-05 2522 0.125E-02 2673 T= 5141. E= 0.67489212E+03 F= 0.62696004E+03 E0= 0.65562563E+03 EK= 0.41866E+02 SP= 0.54E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328755274839E+03 0.55367E+00 -0.10064E-01 7952 0.214E+01 0.239E-01 RMM: 2 -0.328776481059E+03 -0.21206E-01 -0.10763E-01 4965 0.734E-01 0.133E+00 RMM: 3 -0.328763941765E+03 0.12539E-01 -0.11738E-02 5448 0.237E-01 0.205E-01 RMM: 4 -0.328763625466E+03 0.31630E-03 -0.10946E-03 4978 0.645E-02 0.909E-02 RMM: 5 -0.328763575144E+03 0.50322E-04 -0.11590E-04 3777 0.289E-02 0.718E-02 RMM: 6 -0.328763544254E+03 0.30890E-04 -0.26099E-05 2604 0.151E-02 0.463E-02 RMM: 7 -0.328763547143E+03 -0.28895E-05 -0.21792E-05 2577 0.139E-02 2674 T= 5023. E= 0.67489141E+03 F= 0.62750544E+03 E0= 0.65616403E+03 EK= 0.40901E+02 SP= 0.60E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328562543716E+03 0.20100E+00 -0.96905E-02 8608 0.213E+01 0.171E-01 RMM: 2 -0.328574536710E+03 -0.11993E-01 -0.90133E-02 4981 0.658E-01 0.763E-01 RMM: 3 -0.328570022025E+03 0.45147E-02 -0.88261E-03 5577 0.195E-01 0.176E-01 RMM: 4 -0.328569780732E+03 0.24129E-03 -0.67586E-04 4859 0.534E-02 0.739E-02 RMM: 5 -0.328569755398E+03 0.25335E-04 -0.80858E-05 3560 0.246E-02 0.665E-02 RMM: 6 -0.328569731430E+03 0.23967E-04 -0.23349E-05 2580 0.148E-02 0.391E-02 RMM: 7 -0.328569734841E+03 -0.34105E-05 -0.15924E-05 2507 0.125E-02 2675 T= 4953. E= 0.67488842E+03 F= 0.62769925E+03 E0= 0.65635256E+03 EK= 0.40337E+02 SP= 0.64E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328667057128E+03 -0.97326E-01 -0.10473E-01 8456 0.212E+01 0.185E-01 RMM: 2 -0.328682620361E+03 -0.15563E-01 -0.10996E-01 4879 0.739E-01 0.911E-01 RMM: 3 -0.328676365742E+03 0.62546E-02 -0.11712E-02 5780 0.211E-01 0.157E-01 RMM: 4 -0.328676106758E+03 0.25898E-03 -0.72993E-04 4750 0.591E-02 0.104E-01 RMM: 5 -0.328676049927E+03 0.56831E-04 -0.10508E-04 3689 0.268E-02 0.701E-02 RMM: 6 -0.328676022323E+03 0.27604E-04 -0.25950E-05 2610 0.156E-02 0.411E-02 RMM: 7 -0.328676024125E+03 -0.18013E-05 -0.19910E-05 2544 0.134E-02 2676 T= 4927. E= 0.67488421E+03 F= 0.62759297E+03 E0= 0.65624312E+03 EK= 0.40120E+02 SP= 0.69E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329010061713E+03 -0.33404E+00 -0.10841E-01 8992 0.213E+01 0.156E-01 RMM: 2 -0.329021007032E+03 -0.10945E-01 -0.89916E-02 5270 0.631E-01 0.657E-01 RMM: 3 -0.329017269131E+03 0.37379E-02 -0.73746E-03 5704 0.175E-01 0.148E-01 RMM: 4 -0.329017114696E+03 0.15444E-03 -0.53480E-04 4560 0.472E-02 0.847E-02 RMM: 5 -0.329017065449E+03 0.49246E-04 -0.64326E-05 3374 0.222E-02 0.626E-02 RMM: 6 -0.329017047210E+03 0.18239E-04 -0.22314E-05 2547 0.144E-02 2677 T= 4935. E= 0.67487939E+03 F= 0.62725194E+03 E0= 0.65589946E+03 EK= 0.40184E+02 SP= 0.72E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329513663365E+03 -0.49660E+00 -0.11351E-01 8816 0.213E+01 0.185E-01 RMM: 2 -0.329528043350E+03 -0.14380E-01 -0.10316E-01 5225 0.673E-01 0.874E-01 RMM: 3 -0.329521936487E+03 0.61069E-02 -0.88846E-03 5609 0.197E-01 0.164E-01 RMM: 4 -0.329521714352E+03 0.22214E-03 -0.70331E-04 4982 0.514E-02 0.801E-02 RMM: 5 -0.329521665828E+03 0.48524E-04 -0.58425E-05 3304 0.212E-02 0.661E-02 RMM: 6 -0.329521652554E+03 0.13274E-04 -0.21222E-05 2521 0.140E-02 2678 T= 4968. E= 0.67487430E+03 F= 0.62674734E+03 E0= 0.65539167E+03 EK= 0.40455E+02 SP= 0.75E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330114647836E+03 -0.59298E+00 -0.10993E-01 8944 0.214E+01 0.316E-01 RMM: 2 -0.330144918393E+03 -0.30271E-01 -0.10621E-01 5342 0.694E-01 0.178E+00 RMM: 3 -0.330122439026E+03 0.22479E-01 -0.13141E-02 5357 0.274E-01 0.322E-01 RMM: 4 -0.330121682225E+03 0.75680E-03 -0.16037E-03 4734 0.809E-02 0.915E-02 RMM: 5 -0.330121651563E+03 0.30663E-04 -0.17187E-04 3962 0.312E-02 0.877E-02 RMM: 6 -0.330121603214E+03 0.48348E-04 -0.27800E-05 2667 0.161E-02 0.505E-02 RMM: 7 -0.330121604872E+03 -0.16577E-05 -0.21740E-05 2542 0.145E-02 2679 T= 5018. E= 0.67486926E+03 F= 0.62614738E+03 E0= 0.65478701E+03 EK= 0.40866E+02 SP= 0.78E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330751353443E+03 -0.62975E+00 -0.11543E-01 8872 0.215E+01 0.290E-01 RMM: 2 -0.330779100971E+03 -0.27748E-01 -0.11330E-01 5413 0.684E-01 0.163E+00 RMM: 3 -0.330759787001E+03 0.19314E-01 -0.11996E-02 5368 0.255E-01 0.298E-01 RMM: 4 -0.330759233569E+03 0.55343E-03 -0.15621E-03 4731 0.818E-02 0.128E-01 RMM: 5 -0.330759223082E+03 0.10487E-04 -0.22965E-04 3888 0.382E-02 0.130E-01 RMM: 6 -0.330759106259E+03 0.11682E-03 -0.67107E-05 3443 0.243E-02 0.373E-02 RMM: 7 -0.330759109112E+03 -0.28535E-05 -0.18853E-05 2555 0.128E-02 2680 T= 5079. E= 0.67486561E+03 F= 0.62550988E+03 E0= 0.65414229E+03 EK= 0.41357E+02 SP= 0.79E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331382985145E+03 -0.62388E+00 -0.11835E-01 9064 0.216E+01 0.225E-01 RMM: 2 -0.331403326222E+03 -0.20341E-01 -0.11896E-01 5395 0.698E-01 0.121E+00 RMM: 3 -0.331392335615E+03 0.10991E-01 -0.10495E-02 5461 0.219E-01 0.220E-01 RMM: 4 -0.331391978248E+03 0.35737E-03 -0.10559E-03 5004 0.621E-02 0.927E-02 RMM: 5 -0.331391918378E+03 0.59870E-04 -0.10388E-04 3708 0.258E-02 0.736E-02 RMM: 6 -0.331391887875E+03 0.30504E-04 -0.24401E-05 2620 0.151E-02 0.518E-02 RMM: 7 -0.331391883148E+03 0.47263E-05 -0.42183E-05 2828 0.175E-02 2681 T= 5143. E= 0.67486279E+03 F= 0.62487711E+03 E0= 0.65349850E+03 EK= 0.41885E+02 SP= 0.81E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331987008699E+03 -0.59512E+00 -0.11704E-01 8912 0.217E+01 0.182E-01 RMM: 2 -0.332002931103E+03 -0.15922E-01 -0.11500E-01 5423 0.688E-01 0.909E-01 RMM: 3 -0.331996271340E+03 0.66598E-02 -0.94648E-03 5816 0.193E-01 0.185E-01 RMM: 4 -0.331995989840E+03 0.28150E-03 -0.72646E-04 4719 0.564E-02 0.870E-02 RMM: 5 -0.331995943459E+03 0.46380E-04 -0.88422E-05 3660 0.229E-02 0.653E-02 RMM: 6 -0.331995922444E+03 0.21015E-04 -0.19761E-05 2564 0.136E-02 0.458E-02 RMM: 7 -0.331995921864E+03 0.58051E-06 -0.17784E-05 2522 0.127E-02 2682 T= 5210. E= 0.67486069E+03 F= 0.62427307E+03 E0= 0.65288061E+03 EK= 0.42425E+02 SP= 0.82E+01 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332554031853E+03 -0.55811E+00 -0.11768E-01 8936 0.218E+01 0.165E-01 RMM: 2 -0.332568558509E+03 -0.14527E-01 -0.11549E-01 5529 0.683E-01 0.773E-01 RMM: 3 -0.332563291480E+03 0.52670E-02 -0.81799E-03 5776 0.182E-01 0.144E-01 RMM: 4 -0.332563127260E+03 0.16422E-03 -0.61350E-04 4573 0.504E-02 0.100E-01 RMM: 5 -0.332563063908E+03 0.63353E-04 -0.74246E-05 3495 0.230E-02 0.679E-02 RMM: 6 -0.332563042961E+03 0.20947E-04 -0.22170E-05 2561 0.144E-02 0.480E-02 RMM: 7 -0.332563040755E+03 0.22064E-05 -0.26053E-05 2636 0.146E-02 2683 T= 5277. E= 0.67485953E+03 F= 0.62370595E+03 E0= 0.65229674E+03 EK= 0.42969E+02 SP= 0.82E+01 SK= 0.44E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.333085629181E+03 -0.52259E+00 -0.11616E-01 8816 0.219E+01 0.155E-01 RMM: 2 -0.333098608600E+03 -0.12979E-01 -0.11108E-01 5451 0.682E-01 0.649E-01 RMM: 3 -0.333094755588E+03 0.38530E-02 -0.83882E-03 5969 0.176E-01 0.156E-01 RMM: 4 -0.333094531482E+03 0.22411E-03 -0.53619E-04 4394 0.497E-02 0.953E-02 RMM: 5 -0.333094473400E+03 0.58082E-04 -0.72938E-05 3474 0.231E-02 0.620E-02 RMM: 6 -0.333094458154E+03 0.15246E-04 -0.19445E-05 2547 0.134E-02 2684 T= 5344. E= 0.67485891E+03 F= 0.62317453E+03 E0= 0.65174712E+03 EK= 0.43515E+02 SP= 0.82E+01 SK= 0.34E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333585266016E+03 -0.49079E+00 -0.11727E-01 8528 0.220E+01 0.191E-01 RMM: 2 -0.333603505382E+03 -0.18239E-01 -0.11684E-01 5366 0.705E-01 0.106E+00 RMM: 3 -0.333594859740E+03 0.86456E-02 -0.10119E-02 5554 0.205E-01 0.196E-01 RMM: 4 -0.333594530429E+03 0.32931E-03 -0.80957E-04 4949 0.565E-02 0.778E-02 RMM: 5 -0.333594498035E+03 0.32394E-04 -0.74228E-05 3595 0.212E-02 0.681E-02 RMM: 6 -0.333594487869E+03 0.10166E-04 -0.16789E-05 2520 0.124E-02 2685 T= 5411. E= 0.67485772E+03 F= 0.62267450E+03 E0= 0.65122791E+03 EK= 0.44066E+02 SP= 0.81E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334052182152E+03 -0.45768E+00 -0.11615E-01 8472 0.222E+01 0.288E-01 RMM: 2 -0.334078818189E+03 -0.26636E-01 -0.10467E-01 5232 0.705E-01 0.160E+00 RMM: 3 -0.334060379327E+03 0.18439E-01 -0.12710E-02 5397 0.258E-01 0.306E-01 RMM: 4 -0.334059699411E+03 0.67992E-03 -0.14458E-03 4705 0.780E-02 0.822E-02 RMM: 5 -0.334059671468E+03 0.27943E-04 -0.16398E-04 4366 0.278E-02 0.813E-02 RMM: 6 -0.334059640859E+03 0.30608E-04 -0.22101E-05 2574 0.146E-02 0.541E-02 RMM: 7 -0.334059661118E+03 -0.20258E-04 -0.29710E-05 2688 0.161E-02 0.828E-02 RMM: 8 -0.334059620916E+03 0.40202E-04 -0.82103E-05 3858 0.199E-02 0.390E-02 RMM: 9 -0.334059616069E+03 0.48470E-05 -0.16198E-05 2517 0.117E-02 2686 T= 5479. E= 0.67485598E+03 F= 0.62220937E+03 E0= 0.65074482E+03 EK= 0.44617E+02 SP= 0.80E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334467897078E+03 -0.40828E+00 -0.11757E-01 8168 0.223E+01 0.272E-01 RMM: 2 -0.334492113002E+03 -0.24216E-01 -0.11883E-01 5063 0.743E-01 0.142E+00 RMM: 3 -0.334477196487E+03 0.14917E-01 -0.12406E-02 5450 0.242E-01 0.247E-01 RMM: 4 -0.334476906699E+03 0.28979E-03 -0.15835E-03 4772 0.877E-02 0.182E-01 RMM: 5 -0.334476842735E+03 0.63964E-04 -0.27385E-04 3901 0.419E-02 0.153E-01 RMM: 6 -0.334476687134E+03 0.15560E-03 -0.90978E-05 3625 0.278E-02 0.383E-02 RMM: 7 -0.334476699130E+03 -0.11996E-04 -0.28362E-05 2746 0.158E-02 2687 T= 5545. E= 0.67485468E+03 F= 0.62179229E+03 E0= 0.65031137E+03 EK= 0.45155E+02 SP= 0.79E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334819044835E+03 -0.34236E+00 -0.11419E-01 8440 0.225E+01 0.186E-01 RMM: 2 -0.334835219397E+03 -0.16175E-01 -0.99231E-02 5248 0.675E-01 0.105E+00 RMM: 3 -0.334827021594E+03 0.81978E-02 -0.93110E-03 5568 0.200E-01 0.174E-01 RMM: 4 -0.334826771905E+03 0.24969E-03 -0.75462E-04 4890 0.549E-02 0.705E-02 RMM: 5 -0.334826738577E+03 0.33328E-04 -0.76605E-05 3713 0.225E-02 0.657E-02 RMM: 6 -0.334826716656E+03 0.21921E-04 -0.19347E-05 2533 0.133E-02 0.435E-02 RMM: 7 -0.334826714824E+03 0.18321E-05 -0.25972E-05 2591 0.149E-02 2688 T= 5607. E= 0.67485356E+03 F= 0.62144227E+03 E0= 0.64994709E+03 EK= 0.45659E+02 SP= 0.77E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335085926641E+03 -0.25921E+00 -0.11738E-01 8048 0.226E+01 0.145E-01 RMM: 2 -0.335098509915E+03 -0.12583E-01 -0.10607E-01 5021 0.713E-01 0.659E-01 RMM: 3 -0.335094941687E+03 0.35682E-02 -0.10367E-02 6049 0.187E-01 0.130E-01 RMM: 4 -0.335094703827E+03 0.23786E-03 -0.48915E-04 4564 0.501E-02 0.928E-02 RMM: 5 -0.335094645173E+03 0.58653E-04 -0.67117E-05 3446 0.239E-02 0.562E-02 RMM: 6 -0.335094632450E+03 0.12724E-04 -0.19323E-05 2526 0.130E-02 2689 T= 5663. E= 0.67485317E+03 F= 0.62117436E+03 E0= 0.64966911E+03 EK= 0.46112E+02 SP= 0.75E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335269957107E+03 -0.17531E+00 -0.11499E-01 8104 0.227E+01 0.201E-01 RMM: 2 -0.335287140013E+03 -0.17183E-01 -0.10477E-01 5046 0.713E-01 0.108E+00 RMM: 3 -0.335278565990E+03 0.85740E-02 -0.11179E-02 5574 0.217E-01 0.157E-01 RMM: 4 -0.335278340167E+03 0.22582E-03 -0.83116E-04 5116 0.562E-02 0.917E-02 RMM: 5 -0.335278279587E+03 0.60579E-04 -0.77663E-05 3602 0.243E-02 0.630E-02 RMM: 6 -0.335278265674E+03 0.13913E-04 -0.20703E-05 2534 0.133E-02 2690 T= 5712. E= 0.67485415E+03 F= 0.62099072E+03 E0= 0.64947951E+03 EK= 0.46513E+02 SP= 0.72E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335382404429E+03 -0.10412E+00 -0.11046E-01 8040 0.227E+01 0.277E-01 RMM: 2 -0.335405393919E+03 -0.22989E-01 -0.95751E-02 5034 0.697E-01 0.147E+00 RMM: 3 -0.335389948617E+03 0.15445E-01 -0.12567E-02 5411 0.255E-01 0.287E-01 RMM: 4 -0.335389339401E+03 0.60922E-03 -0.13426E-03 4742 0.746E-02 0.805E-02 RMM: 5 -0.335389309101E+03 0.30300E-04 -0.14081E-04 4244 0.278E-02 0.757E-02 RMM: 6 -0.335389283616E+03 0.25485E-04 -0.21778E-05 2562 0.138E-02 0.572E-02 RMM: 7 -0.335389301418E+03 -0.17803E-04 -0.50671E-05 3172 0.204E-02 2691 T= 5755. E= 0.67485568E+03 F= 0.62087969E+03 E0= 0.64936755E+03 EK= 0.46869E+02 SP= 0.69E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335441741917E+03 -0.52458E-01 -0.11115E-01 8040 0.228E+01 0.226E-01 RMM: 2 -0.335458473101E+03 -0.16731E-01 -0.98313E-02 5030 0.692E-01 0.110E+00 RMM: 3 -0.335449586185E+03 0.88869E-02 -0.10836E-02 5447 0.226E-01 0.217E-01 RMM: 4 -0.335449310420E+03 0.27576E-03 -0.11454E-03 4742 0.722E-02 0.129E-01 RMM: 5 -0.335449271723E+03 0.38697E-04 -0.16926E-04 3889 0.326E-02 0.111E-01 RMM: 6 -0.335449188848E+03 0.82875E-04 -0.46309E-05 3150 0.205E-02 0.298E-02 RMM: 7 -0.335449195076E+03 -0.62275E-05 -0.17497E-05 2523 0.128E-02 2692 T= 5796. E= 0.67485726E+03 F= 0.62081979E+03 E0= 0.64931166E+03 EK= 0.47202E+02 SP= 0.66E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335471563599E+03 -0.22375E-01 -0.10822E-01 8232 0.228E+01 0.177E-01 RMM: 2 -0.335485385335E+03 -0.13822E-01 -0.91515E-02 5038 0.657E-01 0.919E-01 RMM: 3 -0.335479043607E+03 0.63417E-02 -0.89877E-03 5610 0.195E-01 0.163E-01 RMM: 4 -0.335478810318E+03 0.23329E-03 -0.64982E-04 4858 0.520E-02 0.801E-02 RMM: 5 -0.335478759464E+03 0.50854E-04 -0.70962E-05 3516 0.231E-02 0.583E-02 RMM: 6 -0.335478743016E+03 0.16447E-04 -0.22200E-05 2548 0.142E-02 2693 T= 5837. E= 0.67485887E+03 F= 0.62079025E+03 E0= 0.64929026E+03 EK= 0.47530E+02 SP= 0.63E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335487513364E+03 -0.87539E-02 -0.11203E-01 8320 0.229E+01 0.210E-01 RMM: 2 -0.335504669714E+03 -0.17156E-01 -0.82508E-02 5031 0.643E-01 0.121E+00 RMM: 3 -0.335494053397E+03 0.10616E-01 -0.90327E-03 5425 0.211E-01 0.198E-01 RMM: 4 -0.335493767872E+03 0.28553E-03 -0.85323E-04 4895 0.576E-02 0.717E-02 RMM: 5 -0.335493733122E+03 0.34750E-04 -0.81961E-05 3740 0.237E-02 0.687E-02 RMM: 6 -0.335493708853E+03 0.24269E-04 -0.22501E-05 2564 0.139E-02 0.530E-02 RMM: 7 -0.335493727869E+03 -0.19016E-04 -0.47575E-05 3129 0.192E-02 2694 T= 5878. E= 0.67485886E+03 F= 0.62077526E+03 E0= 0.64928820E+03 EK= 0.47868E+02 SP= 0.59E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335493133088E+03 0.57576E-03 -0.11555E-01 8120 0.230E+01 0.245E-01 RMM: 2 -0.335512949447E+03 -0.19816E-01 -0.93186E-02 4913 0.698E-01 0.132E+00 RMM: 3 -0.335500337548E+03 0.12612E-01 -0.10864E-02 5426 0.233E-01 0.206E-01 RMM: 4 -0.335500112906E+03 0.22464E-03 -0.11795E-03 4690 0.727E-02 0.134E-01 RMM: 5 -0.335500075190E+03 0.37716E-04 -0.18792E-04 3882 0.353E-02 0.119E-01 RMM: 6 -0.335499978906E+03 0.96284E-04 -0.54373E-05 3267 0.220E-02 0.275E-02 RMM: 7 -0.335499983620E+03 -0.47142E-05 -0.18078E-05 2521 0.132E-02 2695 T= 5921. E= 0.67485847E+03 F= 0.62076901E+03 E0= 0.64929830E+03 EK= 0.48220E+02 SP= 0.56E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335486052363E+03 0.13927E-01 -0.12066E-01 8216 0.231E+01 0.182E-01 RMM: 2 -0.335501416088E+03 -0.15364E-01 -0.10221E-01 5005 0.718E-01 0.963E-01 RMM: 3 -0.335494503272E+03 0.69128E-02 -0.10402E-02 5675 0.205E-01 0.163E-01 RMM: 4 -0.335494231955E+03 0.27132E-03 -0.69367E-04 4823 0.553E-02 0.755E-02 RMM: 5 -0.335494195883E+03 0.36072E-04 -0.84600E-05 3729 0.239E-02 0.663E-02 RMM: 6 -0.335494171482E+03 0.24400E-04 -0.22106E-05 2548 0.140E-02 0.447E-02 RMM: 7 -0.335494173634E+03 -0.21518E-05 -0.28514E-05 2626 0.153E-02 2696 T= 5966. E= 0.67485791E+03 F= 0.62077482E+03 E0= 0.64932146E+03 EK= 0.48582E+02 SP= 0.52E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335460288483E+03 0.33883E-01 -0.12089E-01 8304 0.232E+01 0.148E-01 RMM: 2 -0.335472139930E+03 -0.11851E-01 -0.98468E-02 4965 0.706E-01 0.660E-01 RMM: 3 -0.335468736988E+03 0.34029E-02 -0.10285E-02 6012 0.187E-01 0.130E-01 RMM: 4 -0.335468505682E+03 0.23131E-03 -0.49608E-04 4559 0.506E-02 0.864E-02 RMM: 5 -0.335468461828E+03 0.43854E-04 -0.68923E-05 3435 0.239E-02 0.557E-02 RMM: 6 -0.335468446728E+03 0.15100E-04 -0.19961E-05 2530 0.135E-02 2697 T= 6011. E= 0.67485747E+03 F= 0.62080054E+03 E0= 0.64936439E+03 EK= 0.48947E+02 SP= 0.47E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335408134119E+03 0.60328E-01 -0.12277E-01 8128 0.233E+01 0.186E-01 RMM: 2 -0.335424461150E+03 -0.16327E-01 -0.11367E-01 5008 0.758E-01 0.953E-01 RMM: 3 -0.335417706601E+03 0.67545E-02 -0.12106E-02 5779 0.213E-01 0.149E-01 RMM: 4 -0.335417428723E+03 0.27788E-03 -0.70515E-04 4957 0.552E-02 0.850E-02 RMM: 5 -0.335417379005E+03 0.49718E-04 -0.79445E-05 3673 0.240E-02 0.638E-02 RMM: 6 -0.335417363086E+03 0.15919E-04 -0.21798E-05 2536 0.141E-02 2698 T= 6055. E= 0.67485750E+03 F= 0.62085163E+03 E0= 0.64943061E+03 EK= 0.49306E+02 SP= 0.43E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335333249709E+03 0.84129E-01 -0.11948E-01 8160 0.234E+01 0.262E-01 RMM: 2 -0.335356291061E+03 -0.23041E-01 -0.97945E-02 5041 0.724E-01 0.147E+00 RMM: 3 -0.335341070730E+03 0.15220E-01 -0.12308E-02 5413 0.251E-01 0.239E-01 RMM: 4 -0.335340646315E+03 0.42441E-03 -0.12159E-03 4819 0.691E-02 0.785E-02 RMM: 5 -0.335340617371E+03 0.28944E-04 -0.12352E-04 4137 0.269E-02 0.761E-02 RMM: 6 -0.335340587837E+03 0.29534E-04 -0.22411E-05 2554 0.138E-02 0.531E-02 RMM: 7 -0.335340610268E+03 -0.22431E-04 -0.47470E-05 3141 0.199E-02 0.867E-02 RMM: 8 -0.335340561268E+03 0.48999E-04 -0.82727E-05 3838 0.196E-02 0.336E-02 RMM: 9 -0.335340556676E+03 0.45922E-05 -0.12132E-05 2496 0.994E-03 2699 T= 6098. E= 0.67485765E+03 F= 0.62092843E+03 E0= 0.64951884E+03 EK= 0.49659E+02 SP= 0.38E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335234333551E+03 0.10623E+00 -0.11824E-01 8008 0.235E+01 0.237E-01 RMM: 2 -0.335252063917E+03 -0.17730E-01 -0.10458E-01 4978 0.724E-01 0.114E+00 RMM: 3 -0.335242481302E+03 0.95826E-02 -0.10953E-02 5498 0.224E-01 0.184E-01 RMM: 4 -0.335242436671E+03 0.44631E-04 -0.11975E-03 4720 0.780E-02 0.192E-01 RMM: 5 -0.335242292822E+03 0.14385E-03 -0.21187E-04 3894 0.364E-02 0.135E-01 RMM: 6 -0.335242169411E+03 0.12341E-03 -0.69265E-05 3458 0.246E-02 0.275E-02 RMM: 7 -0.335242180860E+03 -0.11450E-04 -0.22909E-05 2545 0.147E-02 2700 T= 6141. E= 0.67485777E+03 F= 0.62102681E+03 E0= 0.64962353E+03 EK= 0.50008E+02 SP= 0.34E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335120576953E+03 0.12159E+00 -0.11924E-01 7984 0.235E+01 0.163E-01 RMM: 2 -0.335134756791E+03 -0.14180E-01 -0.10735E-01 5010 0.743E-01 0.816E-01 RMM: 3 -0.335129777494E+03 0.49793E-02 -0.11313E-02 5929 0.201E-01 0.156E-01 RMM: 4 -0.335129472766E+03 0.30473E-03 -0.55975E-04 4745 0.522E-02 0.702E-02 RMM: 5 -0.335129439478E+03 0.33289E-04 -0.69241E-05 3523 0.224E-02 0.615E-02 RMM: 6 -0.335129424835E+03 0.14643E-04 -0.19449E-05 2522 0.133E-02 2701 T= 6184. E= 0.67485800E+03 F= 0.62113956E+03 E0= 0.64973621E+03 EK= 0.50359E+02 SP= 0.29E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335001388279E+03 0.12805E+00 -0.12171E-01 7864 0.235E+01 0.234E-01 RMM: 2 -0.335021541170E+03 -0.20153E-01 -0.10791E-01 4962 0.740E-01 0.125E+00 RMM: 3 -0.335010157511E+03 0.11384E-01 -0.12339E-02 5431 0.244E-01 0.163E-01 RMM: 4 -0.335009982273E+03 0.17524E-03 -0.12279E-03 5627 0.594E-02 0.865E-02 RMM: 5 -0.335009907842E+03 0.74431E-04 -0.68961E-05 3389 0.253E-02 0.666E-02 RMM: 6 -0.335009891386E+03 0.16456E-04 -0.25955E-05 2549 0.157E-02 2702 T= 6228. E= 0.67485794E+03 F= 0.62125910E+03 E0= 0.64984971E+03 EK= 0.50718E+02 SP= 0.24E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334876680151E+03 0.13323E+00 -0.11742E-01 7800 0.236E+01 0.388E-01 RMM: 2 -0.334918625389E+03 -0.41945E-01 -0.13162E-01 4896 0.863E-01 0.214E+00 RMM: 3 -0.334886743739E+03 0.31882E-01 -0.20506E-02 5373 0.345E-01 0.404E-01 RMM: 4 -0.334885549328E+03 0.11944E-02 -0.23906E-03 5144 0.993E-02 0.800E-02 RMM: 5 -0.334885566758E+03 -0.17430E-04 -0.25759E-04 4175 0.327E-02 0.112E-01 RMM: 6 -0.334885481784E+03 0.84974E-04 -0.36996E-05 2881 0.181E-02 0.431E-02 RMM: 7 -0.334885488926E+03 -0.71417E-05 -0.26395E-05 2564 0.151E-02 2703 T= 6273. E= 0.67485696E+03 F= 0.62138350E+03 E0= 0.64996144E+03 EK= 0.51084E+02 SP= 0.19E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334740148878E+03 0.14533E+00 -0.12060E-01 7840 0.236E+01 0.287E-01 RMM: 2 -0.334772892712E+03 -0.32744E-01 -0.14172E-01 4815 0.854E-01 0.170E+00 RMM: 3 -0.334751961145E+03 0.20932E-01 -0.17663E-02 5398 0.297E-01 0.262E-01 RMM: 4 -0.334751525132E+03 0.43601E-03 -0.18766E-03 4969 0.881E-02 0.135E-01 RMM: 5 -0.334751513514E+03 0.11618E-04 -0.23812E-04 3976 0.362E-02 0.134E-01 RMM: 6 -0.334751391443E+03 0.12207E-03 -0.66051E-05 3397 0.233E-02 0.324E-02 RMM: 7 -0.334751399318E+03 -0.78748E-05 -0.22188E-05 2559 0.144E-02 2704 T= 6318. E= 0.67485632E+03 F= 0.62151759E+03 E0= 0.65007807E+03 EK= 0.51453E+02 SP= 0.13E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334587828288E+03 0.16356E+00 -0.12907E-01 7880 0.237E+01 0.244E-01 RMM: 2 -0.334614496893E+03 -0.26669E-01 -0.16804E-01 4799 0.929E-01 0.128E+00 RMM: 3 -0.334602268085E+03 0.12229E-01 -0.19179E-02 5616 0.275E-01 0.231E-01 RMM: 4 -0.334601726218E+03 0.54187E-03 -0.13469E-03 5157 0.747E-02 0.787E-02 RMM: 5 -0.334601706924E+03 0.19294E-04 -0.16337E-04 4020 0.309E-02 2705 T= 6363. E= 0.67485678E+03 F= 0.62166728E+03 E0= 0.65020601E+03 EK= 0.51818E+02 SP= 0.81E+00 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334418040640E+03 0.18369E+00 -0.13184E-01 8096 0.237E+01 0.132E-01 RMM: 2 -0.334434438043E+03 -0.16397E-01 -0.15529E-01 4929 0.869E-01 0.504E-01 RMM: 3 -0.334431776186E+03 0.26619E-02 -0.15479E-02 6372 0.221E-01 0.141E-01 RMM: 4 -0.334431403568E+03 0.37262E-03 -0.56433E-04 4660 0.566E-02 0.916E-02 RMM: 5 -0.334431355088E+03 0.48481E-04 -0.64543E-05 3180 0.254E-02 0.794E-02 RMM: 6 -0.334431375180E+03 -0.20093E-04 -0.60183E-05 3379 0.212E-02 0.111E-01 RMM: 7 -0.334431321814E+03 0.53366E-04 -0.20006E-04 3885 0.333E-02 0.921E-02 RMM: 8 -0.334431268286E+03 0.53528E-04 -0.52125E-05 3138 0.190E-02 0.243E-02 RMM: 9 -0.334431272510E+03 -0.42234E-05 -0.15661E-05 2487 0.121E-02 2706 T= 6407. E= 0.67485729E+03 F= 0.62183772E+03 E0= 0.65035251E+03 EK= 0.52171E+02 SP= 0.28E+00 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334225680939E+03 0.20559E+00 -0.13534E-01 7936 0.238E+01 0.236E-01 RMM: 2 -0.334244114146E+03 -0.18433E-01 -0.16316E-01 4802 0.896E-01 0.774E-01 RMM: 3 -0.334239204328E+03 0.49098E-02 -0.17292E-02 6099 0.239E-01 0.148E-01 RMM: 4 -0.334239174939E+03 0.29389E-04 -0.10450E-03 4805 0.779E-02 0.258E-01 RMM: 5 -0.334238753130E+03 0.42181E-03 -0.25442E-04 3897 0.428E-02 0.883E-02 RMM: 6 -0.334238706882E+03 0.46248E-04 -0.52091E-05 3220 0.215E-02 0.339E-02 RMM: 7 -0.334238725406E+03 -0.18524E-04 -0.26589E-05 2595 0.156E-02 2707 T= 6448. E= 0.67485761E+03 F= 0.62203026E+03 E0= 0.65052036E+03 EK= 0.52508E+02 SP= -.26E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334018196255E+03 0.22051E+00 -0.12969E-01 8368 0.238E+01 0.138E-01 RMM: 2 -0.334032806980E+03 -0.14611E-01 -0.13638E-01 5273 0.780E-01 0.541E-01 RMM: 3 -0.334029606146E+03 0.32008E-02 -0.11551E-02 6431 0.194E-01 0.122E-01 RMM: 4 -0.334029331286E+03 0.27486E-03 -0.43798E-04 4402 0.482E-02 0.914E-02 RMM: 5 -0.334029271238E+03 0.60048E-04 -0.56587E-05 3217 0.231E-02 0.583E-02 RMM: 6 -0.334029269149E+03 0.20894E-05 -0.22348E-05 2543 0.138E-02 2708 T= 6488. E= 0.67485774E+03 F= 0.62223972E+03 E0= 0.65070655E+03 EK= 0.52834E+02 SP= -.80E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333800941762E+03 0.22833E+00 -0.13978E-01 8272 0.239E+01 0.215E-01 RMM: 2 -0.333823105902E+03 -0.22164E-01 -0.15248E-01 5095 0.834E-01 0.109E+00 RMM: 3 -0.333813660069E+03 0.94458E-02 -0.14627E-02 5679 0.242E-01 0.187E-01 RMM: 4 -0.333813305402E+03 0.35467E-03 -0.94417E-04 4981 0.627E-02 0.910E-02 RMM: 5 -0.333813254708E+03 0.50695E-04 -0.10268E-04 3854 0.268E-02 0.695E-02 RMM: 6 -0.333813236597E+03 0.18111E-04 -0.24024E-05 2573 0.146E-02 2709 T= 6528. E= 0.67485823E+03 F= 0.62245575E+03 E0= 0.65090139E+03 EK= 0.53157E+02 SP= -.13E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333592390922E+03 0.22086E+00 -0.14425E-01 8312 0.240E+01 0.347E-01 RMM: 2 -0.333631573728E+03 -0.39183E-01 -0.15957E-01 5071 0.890E-01 0.192E+00 RMM: 3 -0.333605035529E+03 0.26538E-01 -0.19294E-02 5388 0.319E-01 0.346E-01 RMM: 4 -0.333604105152E+03 0.93038E-03 -0.21139E-03 4991 0.940E-02 0.928E-02 RMM: 5 -0.333604068693E+03 0.36460E-04 -0.24481E-04 4674 0.313E-02 0.891E-02 RMM: 6 -0.333604023879E+03 0.44814E-04 -0.26146E-05 2604 0.154E-02 0.610E-02 RMM: 7 -0.333604040551E+03 -0.16672E-04 -0.57456E-05 3332 0.210E-02 2710 T= 6568. E= 0.67485878E+03 F= 0.62266495E+03 E0= 0.65109098E+03 EK= 0.53490E+02 SP= -.19E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333402013092E+03 0.20201E+00 -0.14258E-01 8432 0.241E+01 0.347E-01 RMM: 2 -0.333439748880E+03 -0.37736E-01 -0.15557E-01 5044 0.857E-01 0.187E+00 RMM: 3 -0.333414229875E+03 0.25519E-01 -0.19031E-02 5406 0.318E-01 0.354E-01 RMM: 4 -0.333413366030E+03 0.86384E-03 -0.22281E-03 5142 0.996E-02 0.121E-01 RMM: 5 -0.333413427475E+03 -0.61445E-04 -0.29884E-04 3962 0.383E-02 0.162E-01 RMM: 6 -0.333413253672E+03 0.17380E-03 -0.85949E-05 3621 0.268E-02 0.413E-02 RMM: 7 -0.333413258221E+03 -0.45499E-05 -0.23579E-05 2608 0.143E-02 2711 T= 6612. E= 0.67485910E+03 F= 0.62285573E+03 E0= 0.65126463E+03 EK= 0.53841E+02 SP= -.24E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333233476435E+03 0.17978E+00 -0.15104E-01 8488 0.242E+01 0.270E-01 RMM: 2 -0.333262293235E+03 -0.28817E-01 -0.16858E-01 5112 0.879E-01 0.141E+00 RMM: 3 -0.333247519020E+03 0.14774E-01 -0.16748E-02 5537 0.274E-01 0.276E-01 RMM: 4 -0.333246916586E+03 0.60243E-03 -0.14396E-03 4856 0.780E-02 0.100E-01 RMM: 5 -0.333246861016E+03 0.55570E-04 -0.17603E-04 3961 0.323E-02 0.851E-02 RMM: 6 -0.333246816982E+03 0.44034E-04 -0.34217E-05 2882 0.173E-02 0.548E-02 RMM: 7 -0.333246819315E+03 -0.23335E-05 -0.32843E-05 2650 0.172E-02 2712 T= 6658. E= 0.67485907E+03 F= 0.62302217E+03 E0= 0.65141536E+03 EK= 0.54216E+02 SP= -.29E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333088445961E+03 0.15837E+00 -0.16151E-01 8480 0.243E+01 0.214E-01 RMM: 2 -0.333110671174E+03 -0.22225E-01 -0.16939E-01 5094 0.883E-01 0.987E-01 RMM: 3 -0.333102986394E+03 0.76848E-02 -0.15940E-02 5778 0.248E-01 0.173E-01 RMM: 4 -0.333102652792E+03 0.33360E-03 -0.95735E-04 4910 0.652E-02 0.110E-01 RMM: 5 -0.333102588496E+03 0.64296E-04 -0.12818E-04 3873 0.296E-02 0.769E-02 RMM: 6 -0.333102556363E+03 0.32132E-04 -0.30143E-05 2771 0.166E-02 0.464E-02 RMM: 7 -0.333102563008E+03 -0.66446E-05 -0.25281E-05 2583 0.152E-02 2713 T= 6706. E= 0.67485818E+03 F= 0.62316643E+03 E0= 0.65154425E+03 EK= 0.54610E+02 SP= -.35E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332952871187E+03 0.14969E+00 -0.17925E-01 8576 0.244E+01 0.219E-01 RMM: 2 -0.332977191950E+03 -0.24321E-01 -0.19022E-01 5103 0.931E-01 0.993E-01 RMM: 3 -0.332969232072E+03 0.79599E-02 -0.17302E-02 5894 0.251E-01 0.178E-01 RMM: 4 -0.332968854351E+03 0.37772E-03 -0.98711E-04 4817 0.688E-02 0.126E-01 RMM: 5 -0.332968760610E+03 0.93741E-04 -0.14713E-04 3878 0.305E-02 0.805E-02 RMM: 6 -0.332968724968E+03 0.35642E-04 -0.34329E-05 2907 0.177E-02 0.479E-02 RMM: 7 -0.332968729315E+03 -0.43462E-05 -0.28484E-05 2603 0.157E-02 2714 T= 6755. E= 0.67485701E+03 F= 0.62330026E+03 E0= 0.65166301E+03 EK= 0.55010E+02 SP= -.40E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332814893314E+03 0.15383E+00 -0.18511E-01 8776 0.244E+01 0.199E-01 RMM: 2 -0.332836183256E+03 -0.21290E-01 -0.17864E-01 5350 0.875E-01 0.831E-01 RMM: 3 -0.332830056423E+03 0.61268E-02 -0.13963E-02 5908 0.227E-01 0.164E-01 RMM: 4 -0.332829773152E+03 0.28327E-03 -0.80217E-04 4848 0.610E-02 0.123E-01 RMM: 5 -0.332829681482E+03 0.91670E-04 -0.11462E-04 3795 0.275E-02 0.777E-02 RMM: 6 -0.332829652917E+03 0.28565E-04 -0.30738E-05 2828 0.169E-02 0.507E-02 RMM: 7 -0.332829652856E+03 0.60456E-07 -0.61079E-05 3320 0.207E-02 2715 T= 6803. E= 0.67485594E+03 F= 0.62343934E+03 E0= 0.65178834E+03 EK= 0.55398E+02 SP= -.45E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332659159504E+03 0.17049E+00 -0.19801E-01 8680 0.245E+01 0.189E-01 RMM: 2 -0.332680909765E+03 -0.21750E-01 -0.19247E-01 5210 0.918E-01 0.741E-01 RMM: 3 -0.332675766087E+03 0.51437E-02 -0.15690E-02 6229 0.235E-01 0.158E-01 RMM: 4 -0.332675426367E+03 0.33972E-03 -0.75594E-04 4713 0.650E-02 0.134E-01 RMM: 5 -0.332675311833E+03 0.11453E-03 -0.12656E-04 3790 0.306E-02 0.715E-02 RMM: 6 -0.332675288766E+03 0.23067E-04 -0.30469E-05 2793 0.168E-02 0.489E-02 RMM: 7 -0.332675291104E+03 -0.23381E-05 -0.42525E-05 2715 0.183E-02 2716 T= 6848. E= 0.67485537E+03 F= 0.62359370E+03 E0= 0.65193034E+03 EK= 0.55762E+02 SP= -.50E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332490694404E+03 0.18459E+00 -0.20689E-01 8848 0.245E+01 0.173E-01 RMM: 2 -0.332511634698E+03 -0.20940E-01 -0.19163E-01 5540 0.897E-01 0.652E-01 RMM: 3 -0.332507127411E+03 0.45073E-02 -0.12896E-02 6179 0.218E-01 0.144E-01 RMM: 4 -0.332506889851E+03 0.23756E-03 -0.66048E-04 4765 0.581E-02 0.130E-01 RMM: 5 -0.332506772745E+03 0.11711E-03 -0.99071E-05 3682 0.271E-02 0.661E-02 RMM: 6 -0.332506759215E+03 0.13530E-04 -0.26593E-05 2605 0.155E-02 2717 T= 6889. E= 0.67485611E+03 F= 0.62376223E+03 E0= 0.65208960E+03 EK= 0.56104E+02 SP= -.55E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332319714618E+03 0.18706E+00 -0.21541E-01 8792 0.244E+01 0.273E-01 RMM: 2 -0.332354819830E+03 -0.35105E-01 -0.20120E-01 5454 0.918E-01 0.154E+00 RMM: 3 -0.332336322054E+03 0.18498E-01 -0.14956E-02 5448 0.270E-01 0.246E-01 RMM: 4 -0.332335884945E+03 0.43711E-03 -0.14058E-03 4919 0.762E-02 0.104E-01 RMM: 5 -0.332335831074E+03 0.53871E-04 -0.16309E-04 4229 0.307E-02 0.885E-02 RMM: 6 -0.332335794982E+03 0.36092E-04 -0.32899E-05 2778 0.170E-02 0.657E-02 RMM: 7 -0.332335820804E+03 -0.25822E-04 -0.58948E-05 3340 0.212E-02 0.972E-02 RMM: 8 -0.332335758635E+03 0.62170E-04 -0.10916E-04 3884 0.227E-02 0.363E-02 RMM: 9 -0.332335752958E+03 0.56767E-05 -0.16647E-05 2540 0.112E-02 2718 T= 6930. E= 0.67485744E+03 F= 0.62393324E+03 E0= 0.65225517E+03 EK= 0.56430E+02 SP= -.59E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332160235510E+03 0.17552E+00 -0.21481E-01 8696 0.244E+01 0.267E-01 RMM: 2 -0.332190856521E+03 -0.30621E-01 -0.19967E-01 5674 0.887E-01 0.133E+00 RMM: 3 -0.332176463221E+03 0.14393E-01 -0.12760E-02 5381 0.263E-01 0.219E-01 RMM: 4 -0.332176313959E+03 0.14926E-03 -0.15350E-03 4926 0.848E-02 0.179E-01 RMM: 5 -0.332176118864E+03 0.19510E-03 -0.23035E-04 3934 0.371E-02 0.995E-02 RMM: 6 -0.332176057386E+03 0.61477E-04 -0.44625E-05 3072 0.202E-02 0.382E-02 RMM: 7 -0.332176068753E+03 -0.11366E-04 -0.33671E-05 2691 0.164E-02 2719 T= 6969. E= 0.67485788E+03 F= 0.62409292E+03 E0= 0.65241302E+03 EK= 0.56752E+02 SP= -.64E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332019175659E+03 0.15688E+00 -0.21669E-01 8552 0.244E+01 0.187E-01 RMM: 2 -0.332043231322E+03 -0.24056E-01 -0.19273E-01 6392 0.852E-01 0.921E-01 RMM: 3 -0.332035379458E+03 0.78519E-02 -0.81519E-03 5439 0.207E-01 0.169E-01 RMM: 4 -0.332035217130E+03 0.16233E-03 -0.78282E-04 5009 0.562E-02 0.108E-01 RMM: 5 -0.332035141314E+03 0.75817E-04 -0.80606E-05 3594 0.239E-02 0.720E-02 RMM: 6 -0.332035127996E+03 0.13317E-04 -0.26196E-05 2606 0.156E-02 2720 T= 7009. E= 0.67485746E+03 F= 0.62423386E+03 E0= 0.65255558E+03 EK= 0.57076E+02 SP= -.68E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331892749366E+03 0.14239E+00 -0.22124E-01 8592 0.244E+01 0.303E-01 RMM: 2 -0.331928557145E+03 -0.35808E-01 -0.20769E-01 5704 0.899E-01 0.158E+00 RMM: 3 -0.331909392501E+03 0.19165E-01 -0.14925E-02 5397 0.277E-01 0.277E-01 RMM: 4 -0.331908838144E+03 0.55436E-03 -0.15169E-03 4924 0.768E-02 0.107E-01 RMM: 5 -0.331908774612E+03 0.63532E-04 -0.15425E-04 4026 0.313E-02 0.889E-02 RMM: 6 -0.331908740547E+03 0.34066E-04 -0.30921E-05 2746 0.163E-02 0.676E-02 RMM: 7 -0.331908763956E+03 -0.23409E-04 -0.56460E-05 3321 0.208E-02 0.974E-02 RMM: 8 -0.331908704616E+03 0.59340E-04 -0.11484E-04 3883 0.231E-02 0.462E-02 RMM: 9 -0.331908694045E+03 0.10571E-04 -0.20509E-05 2594 0.124E-02 2721 T= 7048. E= 0.67485551E+03 F= 0.62436030E+03 E0= 0.65268602E+03 EK= 0.57394E+02 SP= -.72E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331758653169E+03 0.15005E+00 -0.22679E-01 8824 0.245E+01 0.309E-01 RMM: 2 -0.331792442760E+03 -0.33790E-01 -0.22824E-01 5440 0.943E-01 0.138E+00 RMM: 3 -0.331776873893E+03 0.15569E-01 -0.16787E-02 5403 0.292E-01 0.290E-01 RMM: 4 -0.331776398371E+03 0.47552E-03 -0.19052E-03 5048 0.922E-02 0.170E-01 RMM: 5 -0.331776255684E+03 0.14269E-03 -0.26690E-04 3915 0.399E-02 0.118E-01 RMM: 6 -0.331776167313E+03 0.88370E-04 -0.67773E-05 3436 0.238E-02 0.439E-02 RMM: 7 -0.331776177086E+03 -0.97728E-05 -0.31055E-05 2735 0.162E-02 2722 T= 7084. E= 0.67485336E+03 F= 0.62449281E+03 E0= 0.65282381E+03 EK= 0.57685E+02 SP= -.76E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331593520245E+03 0.18265E+00 -0.22951E-01 8848 0.246E+01 0.220E-01 RMM: 2 -0.331623575339E+03 -0.30055E-01 -0.22598E-01 5798 0.936E-01 0.113E+00 RMM: 3 -0.331612163896E+03 0.11411E-01 -0.13496E-02 5573 0.250E-01 0.192E-01 RMM: 4 -0.331611876051E+03 0.28784E-03 -0.10874E-03 5090 0.649E-02 0.101E-01 RMM: 5 -0.331611811123E+03 0.64928E-04 -0.10551E-04 3952 0.263E-02 0.800E-02 RMM: 6 -0.331611792027E+03 0.19096E-04 -0.27961E-05 2601 0.159E-02 2723 T= 7113. E= 0.67485174E+03 F= 0.62465720E+03 E0= 0.65299272E+03 EK= 0.57923E+02 SP= -.80E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331376650318E+03 0.23516E+00 -0.24189E-01 8832 0.247E+01 0.302E-01 RMM: 2 -0.331419495861E+03 -0.42846E-01 -0.24738E-01 5368 0.993E-01 0.170E+00 RMM: 3 -0.331396497401E+03 0.22998E-01 -0.19293E-02 5416 0.310E-01 0.261E-01 RMM: 4 -0.331396024512E+03 0.47289E-03 -0.20113E-03 5362 0.825E-02 0.113E-01 RMM: 5 -0.331395927791E+03 0.96721E-04 -0.15948E-04 4121 0.319E-02 0.935E-02 RMM: 6 -0.331395893953E+03 0.33838E-04 -0.35216E-05 2847 0.174E-02 0.761E-02 RMM: 7 -0.331395927834E+03 -0.33881E-04 -0.85626E-05 3739 0.244E-02 0.113E-01 RMM: 8 -0.331395838224E+03 0.89611E-04 -0.12192E-04 3890 0.232E-02 0.432E-02 RMM: 9 -0.331395831988E+03 0.62354E-05 -0.22368E-05 2621 0.131E-02 2724 T= 7133. E= 0.67485121E+03 F= 0.62487316E+03 E0= 0.65321200E+03 EK= 0.58086E+02 SP= -.83E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331104829791E+03 0.29101E+00 -0.26218E-01 8952 0.248E+01 0.389E-01 RMM: 2 -0.331155663582E+03 -0.50834E-01 -0.27580E-01 5033 0.109E+00 0.192E+00 RMM: 3 -0.331127160748E+03 0.28503E-01 -0.25932E-02 5491 0.352E-01 0.358E-01 RMM: 4 -0.331126283716E+03 0.87703E-03 -0.28567E-03 5346 0.113E-01 0.173E-01 RMM: 5 -0.331126251109E+03 0.32607E-04 -0.39888E-04 3965 0.439E-02 0.171E-01 RMM: 6 -0.331126051576E+03 0.19953E-03 -0.11411E-04 3847 0.292E-02 0.460E-02 RMM: 7 -0.331126066912E+03 -0.15336E-04 -0.39481E-05 3038 0.172E-02 2725 T= 7143. E= 0.67485244E+03 F= 0.62514292E+03 E0= 0.65348171E+03 EK= 0.58171E+02 SP= -.87E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330802264484E+03 0.32379E+00 -0.27983E-01 8976 0.248E+01 0.237E-01 RMM: 2 -0.330837275890E+03 -0.35011E-01 -0.27342E-01 5477 0.106E+00 0.116E+00 RMM: 3 -0.330825324525E+03 0.11951E-01 -0.18831E-02 5688 0.282E-01 0.206E-01 RMM: 4 -0.330824937523E+03 0.38700E-03 -0.13722E-03 5225 0.737E-02 0.114E-01 RMM: 5 -0.330824856252E+03 0.81271E-04 -0.15360E-04 4506 0.292E-02 0.879E-02 RMM: 6 -0.330824826392E+03 0.29860E-04 -0.32485E-05 2811 0.168E-02 0.718E-02 RMM: 7 -0.330824855646E+03 -0.29254E-04 -0.95468E-05 3846 0.255E-02 0.107E-01 RMM: 8 -0.330824782308E+03 0.73338E-04 -0.79511E-05 3680 0.221E-02 0.348E-02 RMM: 9 -0.330824778467E+03 0.38412E-05 -0.16471E-05 2520 0.118E-02 2726 T= 7147. E= 0.67485509E+03 F= 0.62544421E+03 E0= 0.65377984E+03 EK= 0.58199E+02 SP= -.90E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330509011940E+03 0.31577E+00 -0.29600E-01 8944 0.248E+01 0.253E-01 RMM: 2 -0.330544750904E+03 -0.35739E-01 -0.28992E-01 5262 0.111E+00 0.112E+00 RMM: 3 -0.330533557296E+03 0.11194E-01 -0.21637E-02 5979 0.286E-01 0.194E-01 RMM: 4 -0.330533159622E+03 0.39767E-03 -0.13495E-03 4921 0.825E-02 0.175E-01 RMM: 5 -0.330532978890E+03 0.18073E-03 -0.21652E-04 3915 0.359E-02 0.101E-01 RMM: 6 -0.330532917587E+03 0.61303E-04 -0.52587E-05 3218 0.210E-02 0.474E-02 RMM: 7 -0.330532918923E+03 -0.13363E-05 -0.27313E-05 2586 0.158E-02 2727 T= 7148. E= 0.67485792E+03 F= 0.62573607E+03 E0= 0.65406639E+03 EK= 0.58210E+02 SP= -.92E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330271627029E+03 0.26129E+00 -0.30241E-01 8960 0.247E+01 0.212E-01 RMM: 2 -0.330304214934E+03 -0.32588E-01 -0.28796E-01 5467 0.110E+00 0.889E-01 RMM: 3 -0.330296529914E+03 0.76850E-02 -0.20603E-02 6180 0.266E-01 0.195E-01 RMM: 4 -0.330295984074E+03 0.54584E-03 -0.10018E-03 4927 0.696E-02 0.115E-01 RMM: 5 -0.330295903759E+03 0.80315E-04 -0.13708E-04 4306 0.282E-02 0.738E-02 RMM: 6 -0.330295897627E+03 0.61320E-05 -0.28179E-05 2596 0.157E-02 2728 T= 7153. E= 0.67485955E+03 F= 0.62597309E+03 E0= 0.65429721E+03 EK= 0.58247E+02 SP= -.95E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330119035049E+03 0.17687E+00 -0.30670E-01 8936 0.248E+01 0.304E-01 RMM: 2 -0.330164628084E+03 -0.45593E-01 -0.28878E-01 5376 0.111E+00 0.164E+00 RMM: 3 -0.330143479234E+03 0.21149E-01 -0.22706E-02 5502 0.322E-01 0.282E-01 RMM: 4 -0.330142844779E+03 0.63445E-03 -0.20197E-03 5191 0.880E-02 0.118E-01 RMM: 5 -0.330142777823E+03 0.66956E-04 -0.23320E-04 4746 0.334E-02 0.924E-02 RMM: 6 -0.330142737867E+03 0.39956E-04 -0.34340E-05 2845 0.174E-02 0.633E-02 RMM: 7 -0.330142764761E+03 -0.26894E-04 -0.51656E-05 3234 0.205E-02 0.911E-02 RMM: 8 -0.330142720945E+03 0.43816E-04 -0.83447E-05 3833 0.210E-02 0.412E-02 RMM: 9 -0.330142712890E+03 0.80549E-05 -0.15407E-05 2521 0.114E-02 2729 T= 7164. E= 0.67485803E+03 F= 0.62612628E+03 E0= 0.65444423E+03 EK= 0.58338E+02 SP= -.97E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330033365144E+03 0.10936E+00 -0.30925E-01 9000 0.248E+01 0.356E-01 RMM: 2 -0.330082313856E+03 -0.48949E-01 -0.29911E-01 5039 0.118E+00 0.176E+00 RMM: 3 -0.330058473394E+03 0.23840E-01 -0.26029E-02 5537 0.349E-01 0.358E-01 RMM: 4 -0.330057508667E+03 0.96473E-03 -0.27208E-03 5355 0.111E-01 0.146E-01 RMM: 5 -0.330057489848E+03 0.18819E-04 -0.37088E-04 4061 0.406E-02 0.147E-01 RMM: 6 -0.330057343328E+03 0.14652E-03 -0.86010E-05 3601 0.255E-02 0.404E-02 RMM: 7 -0.330057350746E+03 -0.74187E-05 -0.28215E-05 2684 0.149E-02 2730 T= 7179. E= 0.67485223E+03 F= 0.62621164E+03 E0= 0.65452682E+03 EK= 0.58464E+02 SP= -.99E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329945129676E+03 0.11221E+00 -0.27166E-01 8992 0.250E+01 0.227E-01 RMM: 2 -0.329976630940E+03 -0.31501E-01 -0.24972E-01 5464 0.103E+00 0.108E+00 RMM: 3 -0.329966443710E+03 0.10187E-01 -0.17571E-02 5723 0.270E-01 0.220E-01 RMM: 4 -0.329965973127E+03 0.47058E-03 -0.11948E-03 4959 0.723E-02 0.105E-01 RMM: 5 -0.329965919397E+03 0.53730E-04 -0.15823E-04 4343 0.306E-02 0.856E-02 RMM: 6 -0.329965885777E+03 0.33620E-04 -0.30931E-05 2660 0.164E-02 0.621E-02 RMM: 7 -0.329965900517E+03 -0.14740E-04 -0.67457E-05 3510 0.220E-02 2731 T= 7190. E= 0.67484349E+03 F= 0.62630309E+03 E0= 0.65462006E+03 EK= 0.58553E+02 SP= -.10E+02 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329736504053E+03 0.22938E+00 -0.25165E-01 9056 0.252E+01 0.250E-01 RMM: 2 -0.329769766601E+03 -0.33263E-01 -0.25768E-01 5128 0.109E+00 0.116E+00 RMM: 3 -0.329758399189E+03 0.11367E-01 -0.22162E-02 5892 0.295E-01 0.214E-01 RMM: 4 -0.329757856260E+03 0.54293E-03 -0.13440E-03 4962 0.804E-02 0.132E-01 RMM: 5 -0.329757759249E+03 0.97012E-04 -0.18973E-04 3985 0.341E-02 0.950E-02 RMM: 6 -0.329757711581E+03 0.47668E-04 -0.41061E-05 3005 0.188E-02 0.542E-02 RMM: 7 -0.329757714916E+03 -0.33354E-05 -0.35204E-05 2697 0.174E-02 2732 T= 7183. E= 0.67483429E+03 F= 0.62651127E+03 E0= 0.65483413E+03 EK= 0.58496E+02 SP= -.10E+02 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329306995084E+03 0.45072E+00 -0.23428E-01 8896 0.254E+01 0.217E-01 RMM: 2 -0.329336053940E+03 -0.29059E-01 -0.24519E-01 5395 0.104E+00 0.948E-01 RMM: 3 -0.329327859991E+03 0.81939E-02 -0.18731E-02 5836 0.270E-01 0.204E-01 RMM: 4 -0.329327404907E+03 0.45508E-03 -0.11097E-03 4972 0.709E-02 0.129E-01 RMM: 5 -0.329327294951E+03 0.10996E-03 -0.14337E-04 3965 0.310E-02 0.884E-02 RMM: 6 -0.329327267880E+03 0.27071E-04 -0.34923E-05 2825 0.175E-02 0.753E-02 RMM: 7 -0.329327267282E+03 0.59821E-06 -0.94221E-05 3828 0.228E-02 2733 T= 7146. E= 0.67482949E+03 F= 0.62694172E+03 E0= 0.65527757E+03 EK= 0.58192E+02 SP= -.10E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328620056518E+03 0.70721E+00 -0.22661E-01 8888 0.255E+01 0.209E-01 RMM: 2 -0.328647283225E+03 -0.27227E-01 -0.23887E-01 5353 0.103E+00 0.853E-01 RMM: 3 -0.328640497268E+03 0.67860E-02 -0.18929E-02 5959 0.267E-01 0.183E-01 RMM: 4 -0.328640109182E+03 0.38809E-03 -0.10269E-03 4925 0.705E-02 0.144E-01 RMM: 5 -0.328639974036E+03 0.13515E-03 -0.13794E-04 3858 0.311E-02 0.873E-02 RMM: 6 -0.328639954664E+03 0.19372E-04 -0.35069E-05 2873 0.175E-02 2734 T= 7075. E= 0.67483367E+03 F= 0.62762903E+03 E0= 0.65598284E+03 EK= 0.57612E+02 SP= -.10E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327772096859E+03 0.86788E+00 -0.21762E-01 8920 0.254E+01 0.316E-01 RMM: 2 -0.327811978016E+03 -0.39881E-01 -0.23176E-01 5394 0.101E+00 0.164E+00 RMM: 3 -0.327791188804E+03 0.20789E-01 -0.21090E-02 5445 0.321E-01 0.328E-01 RMM: 4 -0.327790488066E+03 0.70074E-03 -0.20664E-03 5314 0.876E-02 0.133E-01 RMM: 5 -0.327790381233E+03 0.10683E-03 -0.18697E-04 4338 0.310E-02 0.115E-01 RMM: 6 -0.327790339175E+03 0.42058E-04 -0.43162E-05 3031 0.188E-02 0.105E-01 RMM: 7 -0.327790407019E+03 -0.67844E-04 -0.15380E-04 3888 0.317E-02 0.155E-01 RMM: 8 -0.327790252110E+03 0.15491E-03 -0.22617E-04 3918 0.316E-02 0.616E-02 RMM: 9 -0.327790231194E+03 0.20916E-04 -0.43227E-05 2951 0.169E-02 0.301E-02 RMM: 10 -0.327790236418E+03 -0.52235E-05 -0.15357E-05 2499 0.128E-02 2735 T= 6982. E= 0.67484894E+03 F= 0.62847875E+03 E0= 0.65685672E+03 EK= 0.56856E+02 SP= -.10E+02 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326997353338E+03 0.79288E+00 -0.20211E-01 8944 0.250E+01 0.422E-01 RMM: 2 -0.327043540623E+03 -0.46187E-01 -0.24001E-01 5187 0.108E+00 0.195E+00 RMM: 3 -0.327016096801E+03 0.27444E-01 -0.26098E-02 5497 0.354E-01 0.406E-01 RMM: 4 -0.327015016746E+03 0.10801E-02 -0.30590E-03 5269 0.121E-01 0.203E-01 RMM: 5 -0.327014917873E+03 0.98873E-04 -0.44944E-04 4000 0.480E-02 0.186E-01 RMM: 6 -0.327014691293E+03 0.22658E-03 -0.13068E-04 3866 0.320E-02 0.580E-02 RMM: 7 -0.327014699163E+03 -0.78701E-05 -0.39899E-05 3031 0.176E-02 2736 T= 6896. E= 0.67486920E+03 F= 0.62925429E+03 E0= 0.65766131E+03 EK= 0.56158E+02 SP= -.11E+02 SK= 0.43E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326595152023E+03 0.41954E+00 -0.16343E-01 8808 0.246E+01 0.335E-01 RMM: 2 -0.326629171151E+03 -0.34019E-01 -0.20145E-01 5336 0.988E-01 0.153E+00 RMM: 3 -0.326611252733E+03 0.17918E-01 -0.20333E-02 5661 0.301E-01 0.330E-01 RMM: 4 -0.326610409164E+03 0.84357E-03 -0.17141E-03 4868 0.846E-02 0.128E-01 RMM: 5 -0.326610334174E+03 0.74990E-04 -0.20747E-04 3950 0.360E-02 0.115E-01 RMM: 6 -0.326610284429E+03 0.49744E-04 -0.58334E-05 3282 0.215E-02 0.880E-02 RMM: 7 -0.326610342222E+03 -0.57793E-04 -0.11029E-04 3874 0.269E-02 0.132E-01 RMM: 8 -0.326610246209E+03 0.96014E-04 -0.13858E-04 3893 0.281E-02 0.592E-02 RMM: 9 -0.326610238230E+03 0.79781E-05 -0.47092E-05 3128 0.184E-02 2737 T= 6853. E= 0.67488350E+03 F= 0.62965875E+03 E0= 0.65809953E+03 EK= 0.55808E+02 SP= -.11E+02 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326764032414E+03 -0.15379E+00 -0.15983E-01 8592 0.243E+01 0.349E-01 RMM: 2 -0.326796409445E+03 -0.32377E-01 -0.20450E-01 4989 0.100E+00 0.145E+00 RMM: 3 -0.326780694246E+03 0.15715E-01 -0.22819E-02 5649 0.313E-01 0.341E-01 RMM: 4 -0.326779753577E+03 0.94067E-03 -0.20796E-03 5012 0.101E-01 0.157E-01 RMM: 5 -0.326779735633E+03 0.17943E-04 -0.34202E-04 3940 0.415E-02 0.170E-01 RMM: 6 -0.326779543998E+03 0.19164E-03 -0.10744E-04 3771 0.296E-02 0.522E-02 RMM: 7 -0.326779545622E+03 -0.16243E-05 -0.30269E-05 2721 0.161E-02 2738 T= 6877. E= 0.67488330E+03 F= 0.62948944E+03 E0= 0.65796782E+03 EK= 0.56004E+02 SP= -.11E+02 SK= 0.64E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327492176194E+03 -0.71263E+00 -0.20639E-01 9008 0.243E+01 0.221E-01 RMM: 2 -0.327519761535E+03 -0.27585E-01 -0.21421E-01 5550 0.958E-01 0.105E+00 RMM: 3 -0.327510842697E+03 0.89188E-02 -0.15473E-02 5613 0.257E-01 0.233E-01 RMM: 4 -0.327510410147E+03 0.43255E-03 -0.11548E-03 4952 0.696E-02 0.122E-01 RMM: 5 -0.327510342107E+03 0.68039E-04 -0.13318E-04 4195 0.282E-02 0.988E-02 RMM: 6 -0.327510315935E+03 0.26173E-04 -0.28848E-05 2639 0.159E-02 0.878E-02 RMM: 7 -0.327510365582E+03 -0.49647E-04 -0.12633E-04 3892 0.277E-02 0.130E-01 RMM: 8 -0.327510269635E+03 0.95947E-04 -0.13290E-04 3895 0.278E-02 0.496E-02 RMM: 9 -0.327510260755E+03 0.88798E-05 -0.24212E-05 2651 0.142E-02 2739 T= 6967. E= 0.67486873E+03 F= 0.62875873E+03 E0= 0.65727885E+03 EK= 0.56731E+02 SP= -.11E+02 SK= 0.55E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.328557418634E+03 -0.10471E+01 -0.31323E-01 9080 0.246E+01 0.315E-01 RMM: 2 -0.328601661494E+03 -0.44243E-01 -0.29951E-01 5378 0.114E+00 0.155E+00 RMM: 3 -0.328583362214E+03 0.18299E-01 -0.23852E-02 5572 0.321E-01 0.310E-01 RMM: 4 -0.328582675344E+03 0.68687E-03 -0.22607E-03 5153 0.100E-01 0.186E-01 RMM: 5 -0.328582479901E+03 0.19544E-03 -0.29276E-04 3984 0.391E-02 0.117E-01 RMM: 6 -0.328582417135E+03 0.62766E-04 -0.56117E-05 3290 0.215E-02 0.727E-02 RMM: 7 -0.328582445687E+03 -0.28553E-04 -0.67121E-05 3444 0.210E-02 0.104E-01 RMM: 8 -0.328582383876E+03 0.61811E-04 -0.69554E-05 3562 0.221E-02 0.399E-02 RMM: 9 -0.328582390038E+03 -0.61617E-05 -0.25545E-05 2623 0.142E-02 2740 T= 7095. E= 0.67484790E+03 F= 0.62768660E+03 E0= 0.65625013E+03 EK= 0.57775E+02 SP= -.11E+02 SK= 0.70E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329654462968E+03 -0.10721E+01 -0.41547E-01 9048 0.250E+01 0.283E-01 RMM: 2 -0.329697593141E+03 -0.43130E-01 -0.34560E-01 5685 0.121E+00 0.124E+00 RMM: 3 -0.329684896339E+03 0.12697E-01 -0.23711E-02 5601 0.306E-01 0.279E-01 RMM: 4 -0.329684347573E+03 0.54877E-03 -0.19237E-03 5024 0.906E-02 0.188E-01 RMM: 5 -0.329684154768E+03 0.19280E-03 -0.25011E-04 3951 0.372E-02 0.124E-01 RMM: 6 -0.329684123323E+03 0.31445E-04 -0.52146E-05 3206 0.204E-02 0.110E-01 RMM: 7 -0.329684144150E+03 -0.20828E-04 -0.11607E-04 3899 0.267E-02 0.125E-01 RMM: 8 -0.329684070356E+03 0.73795E-04 -0.13098E-04 3894 0.284E-02 0.590E-02 RMM: 9 -0.329684086288E+03 -0.15932E-04 -0.53102E-05 3232 0.197E-02 2741 T= 7224. E= 0.67482976E+03 F= 0.62658490E+03 E0= 0.65519155E+03 EK= 0.58825E+02 SP= -.11E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330502398151E+03 -0.81833E+00 -0.51113E-01 8992 0.255E+01 0.318E-01 RMM: 2 -0.330551286982E+03 -0.48889E-01 -0.38448E-01 5794 0.126E+00 0.138E+00 RMM: 3 -0.330535992479E+03 0.15295E-01 -0.25686E-02 5618 0.313E-01 0.294E-01 RMM: 4 -0.330535463248E+03 0.52923E-03 -0.21339E-03 4954 0.967E-02 0.229E-01 RMM: 5 -0.330535167322E+03 0.29593E-03 -0.32236E-04 3955 0.433E-02 0.129E-01 RMM: 6 -0.330535136202E+03 0.31120E-04 -0.75630E-05 3537 0.235E-02 0.115E-01 RMM: 7 -0.330535168593E+03 -0.32390E-04 -0.11360E-04 3902 0.259E-02 0.128E-01 RMM: 8 -0.330535097377E+03 0.71216E-04 -0.12430E-04 3894 0.288E-02 0.587E-02 RMM: 9 -0.330535124076E+03 -0.26699E-04 -0.70426E-05 3492 0.219E-02 0.797E-02 RMM: 10 -0.330535091382E+03 0.32694E-04 -0.30834E-05 2834 0.182E-02 0.349E-02 RMM: 11 -0.330535087405E+03 0.39769E-05 -0.11527E-05 2472 0.106E-02 2742 T= 7319. E= 0.67481730E+03 F= 0.62573390E+03 E0= 0.65437905E+03 EK= 0.59599E+02 SP= -.11E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330910466526E+03 -0.37538E+00 -0.61243E-01 8872 0.258E+01 0.288E-01 RMM: 2 -0.330954926957E+03 -0.44460E-01 -0.40397E-01 5755 0.128E+00 0.958E-01 RMM: 3 -0.330946099225E+03 0.88277E-02 -0.26247E-02 5841 0.302E-01 0.252E-01 RMM: 4 -0.330945614143E+03 0.48508E-03 -0.16627E-03 4977 0.878E-02 0.230E-01 RMM: 5 -0.330945307187E+03 0.30696E-03 -0.28842E-04 3936 0.420E-02 0.116E-01 RMM: 6 -0.330945305763E+03 0.14245E-05 -0.75840E-05 3520 0.232E-02 2743 T= 7356. E= 0.67481070E+03 F= 0.62532368E+03 E0= 0.65399682E+03 EK= 0.59902E+02 SP= -.10E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330801786154E+03 0.14352E+00 -0.71206E-01 8872 0.260E+01 0.357E-01 RMM: 2 -0.330854452265E+03 -0.52666E-01 -0.37469E-01 6254 0.121E+00 0.159E+00 RMM: 3 -0.330834918068E+03 0.19534E-01 -0.22095E-02 5484 0.320E-01 0.335E-01 RMM: 4 -0.330834311276E+03 0.60679E-03 -0.20372E-03 5108 0.881E-02 0.194E-01 RMM: 5 -0.330834304343E+03 0.69330E-05 -0.27154E-04 4042 0.385E-02 0.173E-01 RMM: 6 -0.330834302573E+03 0.17706E-05 -0.16160E-04 3890 0.331E-02 2744 T= 7325. E= 0.67481148E+03 F= 0.62543469E+03 E0= 0.65412782E+03 EK= 0.59654E+02 SP= -.10E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330222430253E+03 0.61187E+00 -0.84327E-01 8864 0.259E+01 0.869E-01 RMM: 2 -0.330432273947E+03 -0.20984E+00 -0.49095E-01 5120 0.153E+00 0.503E+00 RMM: 3 -0.330258998822E+03 0.17328E+00 -0.83177E-02 5354 0.710E-01 0.832E-01 RMM: 4 -0.330254095016E+03 0.49038E-02 -0.10215E-02 5409 0.204E-01 0.245E-01 RMM: 5 -0.330254192868E+03 -0.97852E-04 -0.11941E-03 4690 0.702E-02 0.266E-01 RMM: 6 -0.330253907500E+03 0.28537E-03 -0.27907E-04 3899 0.392E-02 0.133E-01 RMM: 7 -0.330254004378E+03 -0.96879E-04 -0.18927E-04 3892 0.365E-02 0.158E-01 RMM: 8 -0.330254113023E+03 -0.10864E-03 -0.21654E-04 3913 0.375E-02 0.154E-01 RMM: 9 -0.330253967024E+03 0.14600E-03 -0.89333E-05 3658 0.261E-02 0.364E-02 RMM: 10 -0.330253969062E+03 -0.20386E-05 -0.19776E-05 2572 0.133E-02 2745 T= 7235. E= 0.67482337E+03 F= 0.62601502E+03 E0= 0.65471761E+03 EK= 0.58914E+02 SP= -.10E+02 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329369229905E+03 0.88474E+00 -0.89258E-01 8856 0.256E+01 0.850E-01 RMM: 2 -0.329563410783E+03 -0.19418E+00 -0.50772E-01 5078 0.157E+00 0.473E+00 RMM: 3 -0.329410216138E+03 0.15319E+00 -0.85350E-02 5377 0.716E-01 0.941E-01 RMM: 4 -0.329404140566E+03 0.60756E-02 -0.10660E-02 5357 0.214E-01 0.282E-01 RMM: 5 -0.329404314880E+03 -0.17431E-03 -0.14821E-03 4650 0.848E-02 0.309E-01 RMM: 6 -0.329403842840E+03 0.47204E-03 -0.40920E-04 3998 0.505E-02 0.143E-01 RMM: 7 -0.329403950110E+03 -0.10727E-03 -0.23075E-04 3894 0.401E-02 0.167E-01 RMM: 8 -0.329404009031E+03 -0.58921E-04 -0.22593E-04 3902 0.383E-02 0.134E-01 RMM: 9 -0.329403907667E+03 0.10136E-03 -0.85805E-05 3638 0.262E-02 0.422E-02 RMM: 10 -0.329403928323E+03 -0.20656E-04 -0.29573E-05 2832 0.163E-02 0.689E-02 RMM: 11 -0.329403899481E+03 0.28842E-04 -0.17796E-05 2553 0.150E-02 0.197E-02 RMM: 12 -0.329403898205E+03 0.12760E-05 -0.41730E-06 2440 0.650E-03 2746 T= 7108. E= 0.67484353E+03 F= 0.62686509E+03 E0= 0.65557069E+03 EK= 0.57884E+02 SP= -.10E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328543611367E+03 0.86029E+00 -0.65287E-01 8832 0.251E+01 0.414E-01 RMM: 2 -0.328611676415E+03 -0.68065E-01 -0.39432E-01 5436 0.137E+00 0.217E+00 RMM: 3 -0.328577680087E+03 0.33996E-01 -0.33560E-02 5469 0.399E-01 0.388E-01 RMM: 4 -0.328576652511E+03 0.10276E-02 -0.34562E-03 5406 0.120E-01 0.192E-01 RMM: 5 -0.328576522299E+03 0.13021E-03 -0.44250E-04 4079 0.427E-02 0.155E-01 RMM: 6 -0.328576388533E+03 0.13377E-03 -0.10255E-04 3785 0.276E-02 0.812E-02 RMM: 7 -0.328576424845E+03 -0.36312E-04 -0.68872E-05 3463 0.214E-02 0.114E-01 RMM: 8 -0.328576369071E+03 0.55775E-04 -0.10848E-04 3881 0.264E-02 0.605E-02 RMM: 9 -0.328576359010E+03 0.10061E-04 -0.37062E-05 2954 0.170E-02 2747 T= 6981. E= 0.67485960E+03 F= 0.62769263E+03 E0= 0.65639885E+03 EK= 0.56851E+02 SP= -.98E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327979764850E+03 0.59660E+00 -0.37137E-01 8880 0.249E+01 0.296E-01 RMM: 2 -0.328019737824E+03 -0.39973E-01 -0.29051E-01 5445 0.117E+00 0.135E+00 RMM: 3 -0.328005578626E+03 0.14159E-01 -0.23273E-02 5575 0.316E-01 0.290E-01 RMM: 4 -0.328004978369E+03 0.60026E-03 -0.19881E-03 5087 0.937E-02 0.173E-01 RMM: 5 -0.328004866389E+03 0.11198E-03 -0.28018E-04 4095 0.362E-02 0.122E-01 RMM: 6 -0.328004802610E+03 0.63779E-04 -0.60073E-05 3313 0.223E-02 0.818E-02 RMM: 7 -0.328004869225E+03 -0.66615E-04 -0.69877E-05 3546 0.223E-02 0.123E-01 RMM: 8 -0.328004801075E+03 0.68150E-04 -0.10396E-04 3890 0.246E-02 0.553E-02 RMM: 9 -0.328004787836E+03 0.13239E-04 -0.26073E-05 2722 0.149E-02 2748 T= 6882. E= 0.67486224E+03 F= 0.62826420E+03 E0= 0.65696995E+03 EK= 0.56044E+02 SP= -.96E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327712163651E+03 0.29264E+00 -0.21188E-01 8704 0.249E+01 0.270E-01 RMM: 2 -0.327744966785E+03 -0.32803E-01 -0.22791E-01 5084 0.104E+00 0.133E+00 RMM: 3 -0.327731514098E+03 0.13453E-01 -0.19736E-02 5646 0.295E-01 0.208E-01 RMM: 4 -0.327731143066E+03 0.37103E-03 -0.15250E-03 4901 0.836E-02 0.134E-01 RMM: 5 -0.327731047757E+03 0.95309E-04 -0.21252E-04 4153 0.337E-02 0.873E-02 RMM: 6 -0.327731016854E+03 0.30903E-04 -0.38416E-05 2951 0.182E-02 0.620E-02 RMM: 7 -0.327731029226E+03 -0.12372E-04 -0.35621E-05 2743 0.180E-02 2749 T= 6817. E= 0.67485276E+03 F= 0.62853796E+03 E0= 0.65724320E+03 EK= 0.55510E+02 SP= -.93E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327598828058E+03 0.13219E+00 -0.17743E-01 8664 0.249E+01 0.270E-01 RMM: 2 -0.327625816630E+03 -0.26989E-01 -0.21167E-01 4986 0.103E+00 0.108E+00 RMM: 3 -0.327616894729E+03 0.89219E-02 -0.21987E-02 5838 0.291E-01 0.225E-01 RMM: 4 -0.327616389461E+03 0.50527E-03 -0.13520E-03 4968 0.774E-02 0.143E-01 RMM: 5 -0.327616290769E+03 0.98692E-04 -0.18882E-04 3984 0.359E-02 0.988E-02 RMM: 6 -0.327616252916E+03 0.37852E-04 -0.49089E-05 3127 0.203E-02 0.697E-02 RMM: 7 -0.327616286630E+03 -0.33713E-04 -0.65782E-05 3485 0.227E-02 0.996E-02 RMM: 8 -0.327616235332E+03 0.51298E-04 -0.54354E-05 3243 0.201E-02 0.448E-02 RMM: 9 -0.327616241343E+03 -0.60106E-05 -0.29302E-05 2666 0.158E-02 2750 T= 6769. E= 0.67484106E+03 F= 0.62865275E+03 E0= 0.65735652E+03 EK= 0.55122E+02 SP= -.91E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327455130184E+03 0.16111E+00 -0.21194E-01 8656 0.249E+01 0.376E-01 RMM: 2 -0.327497143890E+03 -0.42014E-01 -0.26370E-01 4938 0.119E+00 0.166E+00 RMM: 3 -0.327477218664E+03 0.19925E-01 -0.29815E-02 5680 0.357E-01 0.355E-01 RMM: 4 -0.327476216738E+03 0.10019E-02 -0.24716E-03 5245 0.106E-01 0.175E-01 RMM: 5 -0.327476101154E+03 0.11558E-03 -0.36074E-04 3949 0.419E-02 0.151E-01 RMM: 6 -0.327475969964E+03 0.13119E-03 -0.97228E-05 3707 0.279E-02 0.630E-02 RMM: 7 -0.327475979156E+03 -0.91923E-05 -0.34932E-05 2839 0.169E-02 2751 T= 6718. E= 0.67483517E+03 F= 0.62879301E+03 E0= 0.65749214E+03 EK= 0.54706E+02 SP= -.88E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327182304506E+03 0.29367E+00 -0.22242E-01 8992 0.247E+01 0.297E-01 RMM: 2 -0.327214146902E+03 -0.31842E-01 -0.23644E-01 5310 0.106E+00 0.126E+00 RMM: 3 -0.327202010461E+03 0.12136E-01 -0.21460E-02 5810 0.295E-01 0.280E-01 RMM: 4 -0.327201362393E+03 0.64807E-03 -0.14850E-03 5024 0.791E-02 0.148E-01 RMM: 5 -0.327201254919E+03 0.10747E-03 -0.18013E-04 4237 0.336E-02 0.113E-01 RMM: 6 -0.327201253199E+03 0.17205E-05 -0.50730E-05 3143 0.205E-02 2752 T= 6650. E= 0.67483616E+03 F= 0.62906774E+03 E0= 0.65775856E+03 EK= 0.54156E+02 SP= -.85E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326766201214E+03 0.43505E+00 -0.23229E-01 8976 0.244E+01 0.408E-01 RMM: 2 -0.326824087036E+03 -0.57886E-01 -0.24057E-01 5183 0.104E+00 0.234E+00 RMM: 3 -0.326785056694E+03 0.39030E-01 -0.26130E-02 5379 0.372E-01 0.415E-01 RMM: 4 -0.326783908928E+03 0.11478E-02 -0.30280E-03 5399 0.107E-01 0.147E-01 RMM: 5 -0.326783817905E+03 0.91024E-04 -0.28471E-04 4200 0.347E-02 0.130E-01 RMM: 6 -0.326783761865E+03 0.56040E-04 -0.47249E-05 3122 0.200E-02 0.102E-01 RMM: 7 -0.326783830234E+03 -0.68369E-04 -0.10973E-04 3860 0.276E-02 0.140E-01 RMM: 8 -0.326783738906E+03 0.91328E-04 -0.20116E-04 3905 0.296E-02 0.762E-02 RMM: 9 -0.326783708979E+03 0.29927E-04 -0.53483E-05 3262 0.199E-02 0.375E-02 RMM: 10 -0.326783708332E+03 0.64724E-06 -0.15199E-05 2521 0.130E-02 2753 T= 6565. E= 0.67484053E+03 F= 0.62948528E+03 E0= 0.65816621E+03 EK= 0.53464E+02 SP= -.83E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326256484095E+03 0.52722E+00 -0.24829E-01 8888 0.241E+01 0.420E-01 RMM: 2 -0.326312122998E+03 -0.55639E-01 -0.24394E-01 5060 0.102E+00 0.222E+00 RMM: 3 -0.326275944623E+03 0.36178E-01 -0.25731E-02 5392 0.366E-01 0.430E-01 RMM: 4 -0.326274818333E+03 0.11263E-02 -0.34717E-03 5383 0.128E-01 0.208E-01 RMM: 5 -0.326274740305E+03 0.78027E-04 -0.48572E-04 4248 0.515E-02 0.190E-01 RMM: 6 -0.326274519128E+03 0.22118E-03 -0.15020E-04 3880 0.329E-02 0.716E-02 RMM: 7 -0.326274575814E+03 -0.56686E-04 -0.97945E-05 3723 0.250E-02 0.116E-01 RMM: 8 -0.326274515970E+03 0.59843E-04 -0.95705E-05 3849 0.265E-02 0.452E-02 RMM: 9 -0.326274513391E+03 0.25792E-05 -0.25774E-05 2682 0.148E-02 2754 T= 6469. E= 0.67484536E+03 F= 0.62999448E+03 E0= 0.65866093E+03 EK= 0.52683E+02 SP= -.80E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325723822898E+03 0.55069E+00 -0.26363E-01 8800 0.237E+01 0.253E-01 RMM: 2 -0.325756248037E+03 -0.32425E-01 -0.23230E-01 5244 0.992E-01 0.126E+00 RMM: 3 -0.325743102146E+03 0.13146E-01 -0.18652E-02 5808 0.279E-01 0.253E-01 RMM: 4 -0.325742507002E+03 0.59514E-03 -0.13661E-03 4878 0.808E-02 0.116E-01 RMM: 5 -0.325742430195E+03 0.76807E-04 -0.18237E-04 4424 0.305E-02 0.921E-02 RMM: 6 -0.325742389469E+03 0.40726E-04 -0.32071E-05 2809 0.174E-02 0.599E-02 RMM: 7 -0.325742406198E+03 -0.16729E-04 -0.50891E-05 3184 0.201E-02 2755 T= 6371. E= 0.67484978E+03 F= 0.63052658E+03 E0= 0.65917758E+03 EK= 0.51883E+02 SP= -.77E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325240122633E+03 0.50227E+00 -0.26922E-01 8808 0.235E+01 0.207E-01 RMM: 2 -0.325266364669E+03 -0.26242E-01 -0.22303E-01 5498 0.972E-01 0.879E-01 RMM: 3 -0.325259207106E+03 0.71576E-02 -0.15792E-02 5872 0.254E-01 0.172E-01 RMM: 4 -0.325258890930E+03 0.31618E-03 -0.95722E-04 4847 0.669E-02 0.128E-01 RMM: 5 -0.325258797869E+03 0.93061E-04 -0.13449E-04 3872 0.311E-02 0.783E-02 RMM: 6 -0.325258771893E+03 0.25976E-04 -0.35859E-05 2905 0.178E-02 0.572E-02 RMM: 7 -0.325258794552E+03 -0.22659E-04 -0.60620E-05 3404 0.217E-02 0.870E-02 RMM: 8 -0.325258751562E+03 0.42990E-04 -0.56494E-05 3181 0.193E-02 0.389E-02 RMM: 9 -0.325258744927E+03 0.66350E-05 -0.16551E-05 2499 0.117E-02 2756 T= 6280. E= 0.67485351E+03 F= 0.63101024E+03 E0= 0.65964660E+03 EK= 0.51139E+02 SP= -.74E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324871304444E+03 0.38745E+00 -0.26063E-01 8888 0.233E+01 0.236E-01 RMM: 2 -0.324898095804E+03 -0.26791E-01 -0.22220E-01 5476 0.969E-01 0.947E-01 RMM: 3 -0.324890418485E+03 0.76773E-02 -0.16393E-02 5940 0.254E-01 0.180E-01 RMM: 4 -0.324890153781E+03 0.26470E-03 -0.10768E-03 4788 0.738E-02 0.183E-01 RMM: 5 -0.324889952863E+03 0.20092E-03 -0.19420E-04 3893 0.367E-02 0.942E-02 RMM: 6 -0.324889902355E+03 0.50507E-04 -0.60700E-05 3322 0.225E-02 0.501E-02 RMM: 7 -0.324889929317E+03 -0.26962E-04 -0.49556E-05 3082 0.200E-02 0.866E-02 RMM: 8 -0.324889884026E+03 0.45291E-04 -0.61044E-05 3294 0.198E-02 0.330E-02 RMM: 9 -0.324889879617E+03 0.44091E-05 -0.14972E-05 2490 0.112E-02 2757 T= 6204. E= 0.67485706E+03 F= 0.63137911E+03 E0= 0.66000227E+03 EK= 0.50522E+02 SP= -.72E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324678839513E+03 0.21104E+00 -0.24755E-01 8944 0.232E+01 0.236E-01 RMM: 2 -0.324706743527E+03 -0.27904E-01 -0.21711E-01 5176 0.100E+00 0.107E+00 RMM: 3 -0.324697543919E+03 0.91996E-02 -0.18356E-02 6029 0.265E-01 0.179E-01 RMM: 4 -0.324697147654E+03 0.39627E-03 -0.10829E-03 4834 0.734E-02 0.136E-01 RMM: 5 -0.324697045014E+03 0.10264E-03 -0.16160E-04 3903 0.318E-02 0.822E-02 RMM: 6 -0.324697008638E+03 0.36377E-04 -0.34666E-05 2881 0.175E-02 0.475E-02 RMM: 7 -0.324697021128E+03 -0.12491E-04 -0.42308E-05 2999 0.192E-02 2758 T= 6151. E= 0.67486020E+03 F= 0.63157197E+03 E0= 0.66018318E+03 EK= 0.50094E+02 SP= -.69E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324723233729E+03 -0.26225E-01 -0.20991E-01 8992 0.232E+01 0.200E-01 RMM: 2 -0.324745544841E+03 -0.22311E-01 -0.19383E-01 5304 0.936E-01 0.797E-01 RMM: 3 -0.324739927523E+03 0.56173E-02 -0.16701E-02 6188 0.242E-01 0.171E-01 RMM: 4 -0.324739516400E+03 0.41112E-03 -0.83934E-04 4894 0.634E-02 0.117E-01 RMM: 5 -0.324739426670E+03 0.89730E-04 -0.12262E-04 3829 0.283E-02 0.711E-02 RMM: 6 -0.324739406712E+03 0.19958E-04 -0.31066E-05 2763 0.168E-02 2759 T= 6129. E= 0.67486260E+03 F= 0.63152958E+03 E0= 0.66012994E+03 EK= 0.49914E+02 SP= -.67E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325051298062E+03 -0.31187E+00 -0.19517E-01 8552 0.232E+01 0.328E-01 RMM: 2 -0.325092152948E+03 -0.40855E-01 -0.21560E-01 4989 0.105E+00 0.178E+00 RMM: 3 -0.325069488377E+03 0.22665E-01 -0.23773E-02 5578 0.326E-01 0.318E-01 RMM: 4 -0.325068587632E+03 0.90074E-03 -0.20765E-03 5108 0.917E-02 0.114E-01 RMM: 5 -0.325068526619E+03 0.61013E-04 -0.25566E-04 4330 0.334E-02 0.102E-01 RMM: 6 -0.325068465454E+03 0.61165E-04 -0.37718E-05 2873 0.180E-02 0.714E-02 RMM: 7 -0.325068490316E+03 -0.24862E-04 -0.78355E-05 3595 0.241E-02 0.106E-01 RMM: 8 -0.325068414510E+03 0.75806E-04 -0.15294E-04 3906 0.265E-02 0.567E-02 RMM: 9 -0.325068395752E+03 0.18758E-04 -0.27506E-05 2669 0.145E-02 2760 T= 6144. E= 0.67486426E+03 F= 0.63120059E+03 E0= 0.65978952E+03 EK= 0.50034E+02 SP= -.65E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325705753194E+03 -0.63734E+00 -0.15611E-01 8472 0.233E+01 0.287E-01 RMM: 2 -0.325733158017E+03 -0.27405E-01 -0.16051E-01 5089 0.885E-01 0.138E+00 RMM: 3 -0.325719079807E+03 0.14078E-01 -0.16405E-02 5468 0.280E-01 0.297E-01 RMM: 4 -0.325718530015E+03 0.54979E-03 -0.18985E-03 4999 0.947E-02 0.155E-01 RMM: 5 -0.325718487571E+03 0.42444E-04 -0.29911E-04 3961 0.392E-02 0.153E-01 RMM: 6 -0.325718329869E+03 0.15770E-03 -0.91376E-05 3632 0.275E-02 0.404E-02 RMM: 7 -0.325718334800E+03 -0.49315E-05 -0.25909E-05 2633 0.150E-02 2761 T= 6199. E= 0.67486399E+03 F= 0.63055065E+03 E0= 0.65912770E+03 EK= 0.50484E+02 SP= -.63E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326676535737E+03 -0.95821E+00 -0.13691E-01 8160 0.235E+01 0.213E-01 RMM: 2 -0.326698865682E+03 -0.22330E-01 -0.15522E-01 5075 0.890E-01 0.111E+00 RMM: 3 -0.326689993767E+03 0.88719E-02 -0.16493E-02 5874 0.244E-01 0.210E-01 RMM: 4 -0.326689473555E+03 0.52021E-03 -0.95961E-04 4959 0.664E-02 0.881E-02 RMM: 5 -0.326689427093E+03 0.46462E-04 -0.11617E-04 4119 0.262E-02 0.765E-02 RMM: 6 -0.326689403294E+03 0.23799E-04 -0.23493E-05 2567 0.145E-02 0.617E-02 RMM: 7 -0.326689405804E+03 -0.25100E-05 -0.70923E-05 3508 0.214E-02 2762 T= 6295. E= 0.67486045E+03 F= 0.62957958E+03 E0= 0.65814333E+03 EK= 0.51261E+02 SP= -.61E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327924387020E+03 -0.12350E+01 -0.12141E-01 7912 0.238E+01 0.199E-01 RMM: 2 -0.327940062345E+03 -0.15675E-01 -0.11366E-01 4919 0.790E-01 0.916E-01 RMM: 3 -0.327934162511E+03 0.58998E-02 -0.13009E-02 5843 0.224E-01 0.166E-01 RMM: 4 -0.327933881517E+03 0.28099E-03 -0.79006E-04 4751 0.626E-02 0.124E-01 RMM: 5 -0.327933781044E+03 0.10047E-03 -0.12211E-04 3798 0.292E-02 0.686E-02 RMM: 6 -0.327933754862E+03 0.26182E-04 -0.30244E-05 2811 0.167E-02 0.398E-02 RMM: 7 -0.327933753068E+03 0.17944E-05 -0.17917E-05 2518 0.133E-02 2763 T= 6424. E= 0.67485298E+03 F= 0.62833524E+03 E0= 0.65688628E+03 EK= 0.52312E+02 SP= -.59E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329339780252E+03 -0.14060E+01 -0.12267E-01 7656 0.242E+01 0.190E-01 RMM: 2 -0.329355872152E+03 -0.16092E-01 -0.12595E-01 4916 0.845E-01 0.854E-01 RMM: 3 -0.329350846244E+03 0.50259E-02 -0.14738E-02 5948 0.223E-01 0.164E-01 RMM: 4 -0.329350446240E+03 0.40000E-03 -0.73834E-04 4881 0.619E-02 0.105E-01 RMM: 5 -0.329350374226E+03 0.72015E-04 -0.11222E-04 3785 0.292E-02 0.673E-02 RMM: 6 -0.329350350879E+03 0.23347E-04 -0.26852E-05 2577 0.154E-02 0.461E-02 RMM: 7 -0.329350344994E+03 0.58847E-05 -0.23261E-05 2529 0.145E-02 2764 T= 6574. E= 0.67484309E+03 F= 0.62691864E+03 E0= 0.65545700E+03 EK= 0.53531E+02 SP= -.57E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330791718292E+03 -0.14414E+01 -0.12241E-01 7672 0.246E+01 0.199E-01 RMM: 2 -0.330806546255E+03 -0.14828E-01 -0.10930E-01 4913 0.807E-01 0.886E-01 RMM: 3 -0.330801206594E+03 0.53397E-02 -0.13006E-02 5876 0.217E-01 0.174E-01 RMM: 4 -0.330800867660E+03 0.33893E-03 -0.75623E-04 4676 0.638E-02 0.118E-01 RMM: 5 -0.330800775446E+03 0.92214E-04 -0.12673E-04 3832 0.313E-02 0.638E-02 RMM: 6 -0.330800755900E+03 0.19545E-04 -0.27134E-05 2600 0.155E-02 2765 T= 6726. E= 0.67483293E+03 F= 0.62546823E+03 E0= 0.65399604E+03 EK= 0.54777E+02 SP= -.55E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332132315728E+03 -0.13315E+01 -0.11973E-01 7720 0.249E+01 0.212E-01 RMM: 2 -0.332148723119E+03 -0.16407E-01 -0.10584E-01 5074 0.767E-01 0.104E+00 RMM: 3 -0.332141289232E+03 0.74339E-02 -0.11575E-02 5709 0.219E-01 0.207E-01 RMM: 4 -0.332140937388E+03 0.35184E-03 -0.84402E-04 4675 0.635E-02 0.116E-01 RMM: 5 -0.332140838075E+03 0.99314E-04 -0.12501E-04 3848 0.299E-02 0.738E-02 RMM: 6 -0.332140814458E+03 0.23617E-04 -0.28510E-05 2641 0.160E-02 0.601E-02 RMM: 7 -0.332140801631E+03 0.12826E-04 -0.46653E-05 2918 0.199E-02 2766 T= 6864. E= 0.67482415E+03 F= 0.62412819E+03 E0= 0.65264773E+03 EK= 0.55900E+02 SP= -.53E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333243157368E+03 -0.11023E+01 -0.11984E-01 7640 0.252E+01 0.224E-01 RMM: 2 -0.333257359391E+03 -0.14202E-01 -0.98948E-02 5215 0.733E-01 0.949E-01 RMM: 3 -0.333251047829E+03 0.63116E-02 -0.10118E-02 5845 0.203E-01 0.201E-01 RMM: 4 -0.333250777080E+03 0.27075E-03 -0.88010E-04 4638 0.680E-02 0.151E-01 RMM: 5 -0.333250616024E+03 0.16106E-03 -0.15726E-04 3869 0.333E-02 0.648E-02 RMM: 6 -0.333250596444E+03 0.19580E-04 -0.25502E-05 2647 0.157E-02 2767 T= 6972. E= 0.67481799E+03 F= 0.62301839E+03 E0= 0.65153265E+03 EK= 0.56777E+02 SP= -.51E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334042032320E+03 -0.79142E+00 -0.12061E-01 7832 0.253E+01 0.197E-01 RMM: 2 -0.334058307846E+03 -0.16276E-01 -0.11631E-01 5255 0.747E-01 0.961E-01 RMM: 3 -0.334051537229E+03 0.67706E-02 -0.10752E-02 5967 0.203E-01 0.179E-01 RMM: 4 -0.334051216590E+03 0.32064E-03 -0.67049E-04 4737 0.559E-02 0.116E-01 RMM: 5 -0.334051120979E+03 0.95611E-04 -0.84839E-05 3712 0.246E-02 0.782E-02 RMM: 6 -0.334051103165E+03 0.17815E-04 -0.19830E-05 2530 0.131E-02 2768 T= 7040. E= 0.67481560E+03 F= 0.62221789E+03 E0= 0.65072857E+03 EK= 0.57326E+02 SP= -.48E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334503471287E+03 -0.45235E+00 -0.12137E-01 7832 0.253E+01 0.284E-01 RMM: 2 -0.334531946512E+03 -0.28475E-01 -0.11153E-01 5158 0.747E-01 0.166E+00 RMM: 3 -0.334512096540E+03 0.19850E-01 -0.12796E-02 5431 0.262E-01 0.299E-01 RMM: 4 -0.334511448832E+03 0.64771E-03 -0.14333E-03 4725 0.779E-02 0.960E-02 RMM: 5 -0.334511396190E+03 0.52643E-04 -0.15471E-04 4150 0.292E-02 0.859E-02 RMM: 6 -0.334511362511E+03 0.33678E-04 -0.23260E-05 2574 0.143E-02 0.699E-02 RMM: 7 -0.334511365738E+03 -0.32264E-05 -0.43541E-05 3086 0.195E-02 2769 T= 7063. E= 0.67481602E+03 F= 0.62175762E+03 E0= 0.65026756E+03 EK= 0.57513E+02 SP= -.46E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334637737255E+03 -0.12637E+00 -0.12789E-01 8032 0.253E+01 0.282E-01 RMM: 2 -0.334661328158E+03 -0.23591E-01 -0.11889E-01 5081 0.758E-01 0.139E+00 RMM: 3 -0.334646818218E+03 0.14510E-01 -0.12646E-02 5461 0.251E-01 0.250E-01 RMM: 4 -0.334646581261E+03 0.23696E-03 -0.16390E-03 4839 0.901E-02 0.193E-01 RMM: 5 -0.334646431647E+03 0.14961E-03 -0.27695E-04 3905 0.415E-02 0.140E-01 RMM: 6 -0.334646302200E+03 0.12945E-03 -0.74384E-05 3527 0.256E-02 0.349E-02 RMM: 7 -0.334646303870E+03 -0.16697E-05 -0.20528E-05 2548 0.136E-02 2770 T= 7043. E= 0.67481947E+03 F= 0.62162269E+03 E0= 0.65013182E+03 EK= 0.57355E+02 SP= -.43E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334496076613E+03 0.15023E+00 -0.13358E-01 8232 0.250E+01 0.230E-01 RMM: 2 -0.334517522955E+03 -0.21446E-01 -0.13453E-01 5099 0.805E-01 0.118E+00 RMM: 3 -0.334506988130E+03 0.10535E-01 -0.13217E-02 5717 0.239E-01 0.221E-01 RMM: 4 -0.334506563232E+03 0.42490E-03 -0.97687E-04 4820 0.654E-02 0.101E-01 RMM: 5 -0.334506488096E+03 0.75137E-04 -0.11999E-04 3835 0.281E-02 0.798E-02 RMM: 6 -0.334506455109E+03 0.32987E-04 -0.27834E-05 2654 0.159E-02 0.595E-02 RMM: 7 -0.334506446419E+03 0.86903E-05 -0.33452E-05 2657 0.167E-02 2771 T= 6988. E= 0.67482413E+03 F= 0.62176254E+03 E0= 0.65026805E+03 EK= 0.56903E+02 SP= -.40E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334151437066E+03 0.35502E+00 -0.13278E-01 8472 0.248E+01 0.202E-01 RMM: 2 -0.334169120529E+03 -0.17683E-01 -0.13231E-01 5001 0.807E-01 0.918E-01 RMM: 3 -0.334162518959E+03 0.66016E-02 -0.13109E-02 5895 0.228E-01 0.177E-01 RMM: 4 -0.334162200837E+03 0.31812E-03 -0.81269E-04 4743 0.626E-02 0.106E-01 RMM: 5 -0.334162139670E+03 0.61166E-04 -0.11066E-04 3737 0.287E-02 0.708E-02 RMM: 6 -0.334162112223E+03 0.27447E-04 -0.25235E-05 2593 0.153E-02 0.405E-02 RMM: 7 -0.334162114383E+03 -0.21599E-05 -0.18797E-05 2514 0.136E-02 2772 T= 6905. E= 0.67482939E+03 F= 0.62210687E+03 E0= 0.65060616E+03 EK= 0.56230E+02 SP= -.37E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333676835225E+03 0.48528E+00 -0.14073E-01 8248 0.245E+01 0.194E-01 RMM: 2 -0.333696645141E+03 -0.19810E-01 -0.16569E-01 4893 0.913E-01 0.832E-01 RMM: 3 -0.333691172869E+03 0.54723E-02 -0.17217E-02 6101 0.243E-01 0.169E-01 RMM: 4 -0.333690753402E+03 0.41947E-03 -0.83558E-04 4764 0.676E-02 0.126E-01 RMM: 5 -0.333690656796E+03 0.96605E-04 -0.13147E-04 3816 0.308E-02 0.796E-02 RMM: 6 -0.333690619629E+03 0.37167E-04 -0.32136E-05 2799 0.173E-02 0.410E-02 RMM: 7 -0.333690617404E+03 0.22252E-05 -0.17997E-05 2511 0.130E-02 2773 T= 6805. E= 0.67483456E+03 F= 0.62257837E+03 E0= 0.65106584E+03 EK= 0.55418E+02 SP= -.34E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333149055970E+03 0.54156E+00 -0.14738E-01 8528 0.242E+01 0.190E-01 RMM: 2 -0.333168438143E+03 -0.19382E-01 -0.15841E-01 5025 0.886E-01 0.850E-01 RMM: 3 -0.333162693396E+03 0.57447E-02 -0.15530E-02 6037 0.234E-01 0.177E-01 RMM: 4 -0.333162264685E+03 0.42871E-03 -0.78824E-04 4830 0.633E-02 0.959E-02 RMM: 5 -0.333162210535E+03 0.54150E-04 -0.10884E-04 3777 0.281E-02 0.666E-02 RMM: 6 -0.333162190638E+03 0.19897E-04 -0.25520E-05 2568 0.152E-02 2774 T= 6697. E= 0.67483856E+03 F= 0.62310680E+03 E0= 0.65157714E+03 EK= 0.54540E+02 SP= -.30E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332614568314E+03 0.54764E+00 -0.14996E-01 8344 0.240E+01 0.200E-01 RMM: 2 -0.332638007968E+03 -0.23440E-01 -0.18323E-01 4990 0.940E-01 0.961E-01 RMM: 3 -0.332630705102E+03 0.73029E-02 -0.18714E-02 5853 0.255E-01 0.209E-01 RMM: 4 -0.332630153635E+03 0.55147E-03 -0.99737E-04 4999 0.687E-02 0.921E-02 RMM: 5 -0.332630104775E+03 0.48860E-04 -0.12416E-04 4076 0.277E-02 0.736E-02 RMM: 6 -0.332630082548E+03 0.22227E-04 -0.23742E-05 2565 0.145E-02 0.602E-02 RMM: 7 -0.332630091829E+03 -0.92804E-05 -0.39691E-05 2912 0.187E-02 2775 T= 6589. E= 0.67484056E+03 F= 0.62363890E+03 E0= 0.65208648E+03 EK= 0.53655E+02 SP= -.27E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332114472379E+03 0.51561E+00 -0.14200E-01 8624 0.238E+01 0.264E-01 RMM: 2 -0.332139572332E+03 -0.25100E-01 -0.15482E-01 4999 0.883E-01 0.130E+00 RMM: 3 -0.332127206533E+03 0.12366E-01 -0.16000E-02 5745 0.258E-01 0.234E-01 RMM: 4 -0.332126736985E+03 0.46955E-03 -0.13394E-03 4825 0.812E-02 0.130E-01 RMM: 5 -0.332126707906E+03 0.29080E-04 -0.19568E-04 3904 0.333E-02 0.116E-01 RMM: 6 -0.332126619703E+03 0.88203E-04 -0.49874E-05 3207 0.211E-02 0.340E-02 RMM: 7 -0.332126621321E+03 -0.16185E-05 -0.17392E-05 2512 0.129E-02 2776 T= 6484. E= 0.67484180E+03 F= 0.62414237E+03 E0= 0.65256326E+03 EK= 0.52800E+02 SP= -.23E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331654835727E+03 0.47178E+00 -0.14553E-01 8456 0.236E+01 0.234E-01 RMM: 2 -0.331680645680E+03 -0.25810E-01 -0.17025E-01 5123 0.897E-01 0.124E+00 RMM: 3 -0.331669126996E+03 0.11519E-01 -0.17030E-02 5813 0.256E-01 0.206E-01 RMM: 4 -0.331668652720E+03 0.47428E-03 -0.10905E-03 4931 0.698E-02 0.105E-01 RMM: 5 -0.331668585568E+03 0.67152E-04 -0.14177E-04 3991 0.295E-02 0.775E-02 RMM: 6 -0.331668553541E+03 0.32027E-04 -0.27651E-05 2634 0.157E-02 0.538E-02 RMM: 7 -0.331668552313E+03 0.12281E-05 -0.22819E-05 2569 0.142E-02 2777 T= 6385. E= 0.67484250E+03 F= 0.62460044E+03 E0= 0.65299269E+03 EK= 0.51996E+02 SP= -.20E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331252580544E+03 0.41597E+00 -0.14100E-01 8704 0.235E+01 0.186E-01 RMM: 2 -0.331271490551E+03 -0.18910E-01 -0.14774E-01 5112 0.830E-01 0.883E-01 RMM: 3 -0.331265034426E+03 0.64561E-02 -0.14065E-02 5903 0.231E-01 0.179E-01 RMM: 4 -0.331264668522E+03 0.36590E-03 -0.80476E-04 4882 0.611E-02 0.899E-02 RMM: 5 -0.331264629154E+03 0.39367E-04 -0.99708E-05 3774 0.258E-02 0.714E-02 RMM: 6 -0.331264607736E+03 0.21418E-04 -0.23129E-05 2564 0.145E-02 0.515E-02 RMM: 7 -0.331264613422E+03 -0.56853E-05 -0.22984E-05 2599 0.145E-02 2778 T= 6294. E= 0.67484253E+03 F= 0.62500438E+03 E0= 0.65337122E+03 EK= 0.51255E+02 SP= -.17E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330909595180E+03 0.35501E+00 -0.13830E-01 9056 0.234E+01 0.205E-01 RMM: 2 -0.330929343439E+03 -0.19748E-01 -0.14543E-01 5086 0.813E-01 0.983E-01 RMM: 3 -0.330921641842E+03 0.77016E-02 -0.13939E-02 5998 0.227E-01 0.167E-01 RMM: 4 -0.330921333135E+03 0.30871E-03 -0.83681E-04 4729 0.643E-02 0.123E-01 RMM: 5 -0.330921251335E+03 0.81800E-04 -0.12109E-04 3772 0.282E-02 0.780E-02 RMM: 6 -0.330921218327E+03 0.33007E-04 -0.26863E-05 2652 0.157E-02 0.466E-02 RMM: 7 -0.330921219814E+03 -0.14869E-05 -0.22712E-05 2572 0.142E-02 2779 T= 6212. E= 0.67484295E+03 F= 0.62534777E+03 E0= 0.65369572E+03 EK= 0.50587E+02 SP= -.13E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330635729421E+03 0.28549E+00 -0.14430E-01 8864 0.233E+01 0.178E-01 RMM: 2 -0.330654919298E+03 -0.19190E-01 -0.15919E-01 5070 0.848E-01 0.801E-01 RMM: 3 -0.330649142741E+03 0.57766E-02 -0.14421E-02 5943 0.231E-01 0.166E-01 RMM: 4 -0.330648795299E+03 0.34744E-03 -0.77863E-04 4863 0.604E-02 0.985E-02 RMM: 5 -0.330648739780E+03 0.55519E-04 -0.96731E-05 3709 0.262E-02 0.714E-02 RMM: 6 -0.330648718386E+03 0.21394E-04 -0.25027E-05 2574 0.152E-02 0.531E-02 RMM: 7 -0.330648722689E+03 -0.43026E-05 -0.26186E-05 2639 0.148E-02 2780 T= 6141. E= 0.67484378E+03 F= 0.62562027E+03 E0= 0.65396156E+03 EK= 0.50005E+02 SP= -.99E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330453146892E+03 0.19557E+00 -0.14183E-01 8800 0.233E+01 0.179E-01 RMM: 2 -0.330470672152E+03 -0.17525E-01 -0.14274E-01 5223 0.796E-01 0.800E-01 RMM: 3 -0.330465024965E+03 0.56472E-02 -0.11672E-02 5961 0.214E-01 0.160E-01 RMM: 4 -0.330464763862E+03 0.26110E-03 -0.69725E-04 4761 0.582E-02 0.104E-01 RMM: 5 -0.330464701076E+03 0.62786E-04 -0.90427E-05 3610 0.256E-02 0.703E-02 RMM: 6 -0.330464677840E+03 0.23236E-04 -0.22573E-05 2560 0.146E-02 0.460E-02 RMM: 7 -0.330464680261E+03 -0.24218E-05 -0.23417E-05 2614 0.141E-02 2781 T= 6082. E= 0.67484469E+03 F= 0.62580431E+03 E0= 0.65415224E+03 EK= 0.49527E+02 SP= -.67E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330378199279E+03 0.86479E-01 -0.14026E-01 8808 0.232E+01 0.170E-01 RMM: 2 -0.330394484522E+03 -0.16285E-01 -0.14027E-01 5290 0.788E-01 0.698E-01 RMM: 3 -0.330389759680E+03 0.47248E-02 -0.11209E-02 5980 0.211E-01 0.139E-01 RMM: 4 -0.330389555183E+03 0.20450E-03 -0.64596E-04 4812 0.546E-02 0.104E-01 RMM: 5 -0.330389485186E+03 0.69997E-04 -0.83692E-05 3574 0.251E-02 0.664E-02 RMM: 6 -0.330389464613E+03 0.20572E-04 -0.24623E-05 2570 0.151E-02 0.474E-02 RMM: 7 -0.330389464605E+03 0.79308E-08 -0.35693E-05 2687 0.161E-02 2782 T= 6039. E= 0.67484497E+03 F= 0.62587952E+03 E0= 0.65424951E+03 EK= 0.49175E+02 SP= -.38E+00 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330425648378E+03 -0.36184E-01 -0.14292E-01 8584 0.232E+01 0.171E-01 RMM: 2 -0.330442300649E+03 -0.16652E-01 -0.14280E-01 5008 0.833E-01 0.714E-01 RMM: 3 -0.330437931544E+03 0.43691E-02 -0.13499E-02 6074 0.222E-01 0.153E-01 RMM: 4 -0.330437619618E+03 0.31193E-03 -0.64520E-04 4846 0.568E-02 0.956E-02 RMM: 5 -0.330437560375E+03 0.59242E-04 -0.87194E-05 3593 0.261E-02 0.661E-02 RMM: 6 -0.330437540211E+03 0.20164E-04 -0.24507E-05 2564 0.150E-02 0.462E-02 RMM: 7 -0.330437541478E+03 -0.12667E-05 -0.28096E-05 2631 0.152E-02 2783 T= 6013. E= 0.67484453E+03 F= 0.62583145E+03 E0= 0.65423604E+03 EK= 0.48964E+02 SP= -.97E-01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330602265063E+03 -0.16472E+00 -0.13556E-01 8768 0.233E+01 0.161E-01 RMM: 2 -0.330616170157E+03 -0.13905E-01 -0.11744E-01 5085 0.744E-01 0.684E-01 RMM: 3 -0.330612054881E+03 0.41153E-02 -0.10584E-02 5971 0.203E-01 0.146E-01 RMM: 4 -0.330611829432E+03 0.22545E-03 -0.55616E-04 4722 0.522E-02 0.917E-02 RMM: 5 -0.330611774745E+03 0.54688E-04 -0.76383E-05 3506 0.244E-02 0.640E-02 RMM: 6 -0.330611754411E+03 0.20334E-04 -0.24624E-05 2562 0.152E-02 0.427E-02 RMM: 7 -0.330611756441E+03 -0.20306E-05 -0.32020E-05 2653 0.156E-02 2784 T= 6004. E= 0.67484316E+03 F= 0.62565723E+03 E0= 0.65410718E+03 EK= 0.48896E+02 SP= 0.16E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330891078339E+03 -0.27932E+00 -0.13005E-01 8672 0.234E+01 0.171E-01 RMM: 2 -0.330904223045E+03 -0.13145E-01 -0.10881E-01 4976 0.732E-01 0.705E-01 RMM: 3 -0.330900261287E+03 0.39618E-02 -0.11075E-02 5999 0.204E-01 0.151E-01 RMM: 4 -0.330900002829E+03 0.25846E-03 -0.56072E-04 4806 0.521E-02 0.946E-02 RMM: 5 -0.330899945028E+03 0.57802E-04 -0.77676E-05 3492 0.249E-02 0.655E-02 RMM: 6 -0.330899923643E+03 0.21385E-04 -0.24244E-05 2576 0.151E-02 0.448E-02 RMM: 7 -0.330899922447E+03 0.11965E-05 -0.32600E-05 2655 0.161E-02 2785 T= 6012. E= 0.67484102E+03 F= 0.62536907E+03 E0= 0.65387125E+03 EK= 0.48958E+02 SP= 0.41E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331268478232E+03 -0.36855E+00 -0.12503E-01 8336 0.235E+01 0.174E-01 RMM: 2 -0.331281758923E+03 -0.13281E-01 -0.10454E-01 5015 0.717E-01 0.763E-01 RMM: 3 -0.331277277247E+03 0.44817E-02 -0.10569E-02 5961 0.200E-01 0.164E-01 RMM: 4 -0.331277009495E+03 0.26775E-03 -0.59076E-04 4701 0.540E-02 0.959E-02 RMM: 5 -0.331276951364E+03 0.58131E-04 -0.80537E-05 3532 0.245E-02 0.669E-02 RMM: 6 -0.331276929435E+03 0.21929E-04 -0.22876E-05 2562 0.148E-02 0.443E-02 RMM: 7 -0.331276928810E+03 0.62459E-06 -0.25247E-05 2623 0.143E-02 2786 T= 6033. E= 0.67483820E+03 F= 0.62499206E+03 E0= 0.65354978E+03 EK= 0.49126E+02 SP= 0.63E+00 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331699036264E+03 -0.42211E+00 -0.11851E-01 8240 0.235E+01 0.166E-01 RMM: 2 -0.331710213606E+03 -0.11177E-01 -0.90312E-02 5230 0.656E-01 0.692E-01 RMM: 3 -0.331706353964E+03 0.38596E-02 -0.81431E-03 5950 0.181E-01 0.152E-01 RMM: 4 -0.331706154224E+03 0.19974E-03 -0.49259E-04 4571 0.487E-02 0.983E-02 RMM: 5 -0.331706090176E+03 0.64048E-04 -0.68586E-05 3435 0.235E-02 0.641E-02 RMM: 6 -0.331706073017E+03 0.17160E-04 -0.21324E-05 2557 0.142E-02 2787 T= 6061. E= 0.67483555E+03 F= 0.62456292E+03 E0= 0.65317620E+03 EK= 0.49361E+02 SP= 0.83E+00 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332138018017E+03 -0.43193E+00 -0.11104E-01 8136 0.235E+01 0.201E-01 RMM: 2 -0.332153039578E+03 -0.15022E-01 -0.88622E-02 5225 0.652E-01 0.104E+00 RMM: 3 -0.332145217250E+03 0.78223E-02 -0.89576E-03 5468 0.204E-01 0.216E-01 RMM: 4 -0.332144892366E+03 0.32488E-03 -0.81302E-04 4782 0.583E-02 0.892E-02 RMM: 5 -0.332144843455E+03 0.48911E-04 -0.82190E-05 3718 0.230E-02 0.717E-02 RMM: 6 -0.332144828084E+03 0.15371E-04 -0.17671E-05 2529 0.125E-02 2788 T= 6093. E= 0.67483274E+03 F= 0.62412416E+03 E0= 0.65279026E+03 EK= 0.49621E+02 SP= 0.10E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332540208369E+03 -0.39536E+00 -0.11016E-01 8112 0.235E+01 0.366E-01 RMM: 2 -0.332580646591E+03 -0.40438E-01 -0.96140E-02 5089 0.743E-01 0.221E+00 RMM: 3 -0.332547098118E+03 0.33548E-01 -0.17129E-02 5358 0.322E-01 0.350E-01 RMM: 4 -0.332546182858E+03 0.91526E-03 -0.19725E-03 4862 0.914E-02 0.947E-02 RMM: 5 -0.332546149814E+03 0.33044E-04 -0.20748E-04 4042 0.321E-02 0.950E-02 RMM: 6 -0.332546096796E+03 0.53019E-04 -0.29975E-05 2678 0.167E-02 0.590E-02 RMM: 7 -0.332546104905E+03 -0.81099E-05 -0.32210E-05 2813 0.173E-02 2789 T= 6122. E= 0.67482931E+03 F= 0.62372288E+03 E0= 0.65243648E+03 EK= 0.49856E+02 SP= 0.12E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332854231852E+03 -0.30814E+00 -0.11675E-01 8248 0.235E+01 0.274E-01 RMM: 2 -0.332878074984E+03 -0.23843E-01 -0.92567E-02 5070 0.676E-01 0.152E+00 RMM: 3 -0.332861335185E+03 0.16740E-01 -0.12316E-02 5362 0.260E-01 0.275E-01 RMM: 4 -0.332860959185E+03 0.37600E-03 -0.15948E-03 4824 0.859E-02 0.157E-01 RMM: 5 -0.332860927118E+03 0.32066E-04 -0.24751E-04 3896 0.392E-02 0.149E-01 RMM: 6 -0.332860775490E+03 0.15163E-03 -0.82465E-05 3583 0.268E-02 0.341E-02 RMM: 7 -0.332860778856E+03 -0.33667E-05 -0.20452E-05 2553 0.137E-02 2790 T= 6142. E= 0.67482633E+03 F= 0.62340821E+03 E0= 0.65216194E+03 EK= 0.50019E+02 SP= 0.14E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333035579428E+03 -0.17480E+00 -0.12535E-01 8392 0.235E+01 0.238E-01 RMM: 2 -0.333057385134E+03 -0.21806E-01 -0.10672E-01 4969 0.750E-01 0.138E+00 RMM: 3 -0.333044347254E+03 0.13038E-01 -0.12889E-02 5526 0.244E-01 0.208E-01 RMM: 4 -0.333044001060E+03 0.34619E-03 -0.10766E-03 4829 0.672E-02 0.964E-02 RMM: 5 -0.333043943253E+03 0.57807E-04 -0.13038E-04 3835 0.297E-02 0.761E-02 RMM: 6 -0.333043908631E+03 0.34622E-04 -0.29015E-05 2618 0.158E-02 0.491E-02 RMM: 7 -0.333043904092E+03 0.45396E-05 -0.22067E-05 2548 0.145E-02 2791 T= 6148. E= 0.67482404E+03 F= 0.62322509E+03 E0= 0.65200914E+03 EK= 0.50063E+02 SP= 0.15E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333051694726E+03 -0.77861E-02 -0.12556E-01 8664 0.234E+01 0.173E-01 RMM: 2 -0.333066624319E+03 -0.14930E-01 -0.10800E-01 4996 0.734E-01 0.877E-01 RMM: 3 -0.333060920765E+03 0.57036E-02 -0.11719E-02 5778 0.210E-01 0.162E-01 RMM: 4 -0.333060642986E+03 0.27778E-03 -0.70726E-04 4785 0.568E-02 0.837E-02 RMM: 5 -0.333060598299E+03 0.44688E-04 -0.87434E-05 3691 0.248E-02 0.615E-02 RMM: 6 -0.333060581256E+03 0.17043E-04 -0.22605E-05 2551 0.141E-02 2792 T= 6134. E= 0.67482263E+03 F= 0.62320841E+03 E0= 0.65201250E+03 EK= 0.49954E+02 SP= 0.16E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332877938800E+03 0.18266E+00 -0.12976E-01 8224 0.232E+01 0.182E-01 RMM: 2 -0.332897385795E+03 -0.19447E-01 -0.15298E-01 4909 0.860E-01 0.886E-01 RMM: 3 -0.332891306222E+03 0.60796E-02 -0.16099E-02 5853 0.237E-01 0.180E-01 RMM: 4 -0.332890881644E+03 0.42458E-03 -0.84614E-04 4933 0.628E-02 0.909E-02 RMM: 5 -0.332890823983E+03 0.57661E-04 -0.99040E-05 3982 0.252E-02 0.715E-02 RMM: 6 -0.332890804480E+03 0.19503E-04 -0.20083E-05 2526 0.135E-02 2793 T= 6100. E= 0.67482210E+03 F= 0.62337818E+03 E0= 0.65219038E+03 EK= 0.49673E+02 SP= 0.17E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332520861886E+03 0.36996E+00 -0.12505E-01 8624 0.231E+01 0.282E-01 RMM: 2 -0.332548051571E+03 -0.27190E-01 -0.12635E-01 5006 0.790E-01 0.156E+00 RMM: 3 -0.332531037211E+03 0.17014E-01 -0.14641E-02 5457 0.270E-01 0.293E-01 RMM: 4 -0.332530356148E+03 0.68106E-03 -0.14574E-03 4859 0.775E-02 0.822E-02 RMM: 5 -0.332530323638E+03 0.32511E-04 -0.15700E-04 4212 0.284E-02 0.771E-02 RMM: 6 -0.332530294415E+03 0.29223E-04 -0.21923E-05 2561 0.136E-02 0.571E-02 RMM: 7 -0.332530307123E+03 -0.12708E-04 -0.31261E-05 2804 0.170E-02 2794 T= 6044. E= 0.67482238E+03 F= 0.62373868E+03 E0= 0.65254842E+03 EK= 0.49218E+02 SP= 0.18E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331983154921E+03 0.54714E+00 -0.13109E-01 8560 0.230E+01 0.315E-01 RMM: 2 -0.332015748557E+03 -0.32594E-01 -0.13866E-01 4926 0.820E-01 0.175E+00 RMM: 3 -0.331994307506E+03 0.21441E-01 -0.16391E-02 5432 0.285E-01 0.308E-01 RMM: 4 -0.331993659800E+03 0.64771E-03 -0.19263E-03 4977 0.927E-02 0.137E-01 RMM: 5 -0.331993718792E+03 -0.58992E-04 -0.30316E-04 3915 0.408E-02 0.166E-01 RMM: 6 -0.331993533939E+03 0.18485E-03 -0.10623E-04 3708 0.292E-02 0.405E-02 RMM: 7 -0.331993530777E+03 0.31626E-05 -0.21382E-05 2574 0.139E-02 2795 T= 5969. E= 0.67482445E+03 F= 0.62427546E+03 E0= 0.65307227E+03 EK= 0.48605E+02 SP= 0.19E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331305977132E+03 0.68756E+00 -0.12440E-01 8856 0.228E+01 0.271E-01 RMM: 2 -0.331333635763E+03 -0.27659E-01 -0.12427E-01 5033 0.758E-01 0.158E+00 RMM: 3 -0.331315932681E+03 0.17703E-01 -0.13574E-02 5438 0.259E-01 0.281E-01 RMM: 4 -0.331315331166E+03 0.60152E-03 -0.13786E-03 4814 0.750E-02 0.885E-02 RMM: 5 -0.331315289252E+03 0.41913E-04 -0.16596E-04 3900 0.320E-02 0.825E-02 RMM: 6 -0.331315240732E+03 0.48520E-04 -0.33807E-05 2888 0.172E-02 0.430E-02 RMM: 7 -0.331315238881E+03 0.18516E-05 -0.17955E-05 2514 0.132E-02 2796 T= 5879. E= 0.67482784E+03 F= 0.62495375E+03 E0= 0.65372742E+03 EK= 0.47872E+02 SP= 0.20E+01 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330536316592E+03 0.77892E+00 -0.11860E-01 8632 0.226E+01 0.198E-01 RMM: 2 -0.330554721308E+03 -0.18405E-01 -0.13913E-01 4926 0.810E-01 0.921E-01 RMM: 3 -0.330548265533E+03 0.64558E-02 -0.14846E-02 5805 0.233E-01 0.172E-01 RMM: 4 -0.330547893595E+03 0.37194E-03 -0.90283E-04 5101 0.605E-02 0.811E-02 RMM: 5 -0.330547859031E+03 0.34564E-04 -0.99407E-05 3711 0.267E-02 0.706E-02 RMM: 6 -0.330547829774E+03 0.29257E-04 -0.23659E-05 2581 0.146E-02 0.373E-02 RMM: 7 -0.330547832125E+03 -0.23514E-05 -0.16991E-05 2514 0.127E-02 2797 T= 5780. E= 0.67483199E+03 F= 0.62572116E+03 E0= 0.65446455E+03 EK= 0.47072E+02 SP= 0.20E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329746004764E+03 0.80183E+00 -0.12212E-01 8136 0.224E+01 0.185E-01 RMM: 2 -0.329765661188E+03 -0.19656E-01 -0.15493E-01 4958 0.855E-01 0.897E-01 RMM: 3 -0.329759368601E+03 0.62926E-02 -0.15840E-02 5951 0.229E-01 0.186E-01 RMM: 4 -0.329758889759E+03 0.47884E-03 -0.82806E-04 4834 0.640E-02 0.924E-02 RMM: 5 -0.329758848009E+03 0.41750E-04 -0.11469E-04 3773 0.274E-02 0.764E-02 RMM: 6 -0.329758812217E+03 0.35792E-04 -0.27988E-05 2709 0.161E-02 0.392E-02 RMM: 7 -0.329758811791E+03 0.42561E-06 -0.15419E-05 2499 0.122E-02 2798 T= 5683. E= 0.67483688E+03 F= 0.62651018E+03 E0= 0.65521783E+03 EK= 0.46276E+02 SP= 0.21E+01 SK= 0.16E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.329014225263E+03 0.74459E+00 -0.11546E-01 8112 0.222E+01 0.183E-01 RMM: 2 -0.329030517133E+03 -0.16292E-01 -0.13203E-01 4984 0.789E-01 0.796E-01 RMM: 3 -0.329025460417E+03 0.50567E-02 -0.13654E-02 5925 0.221E-01 0.137E-01 RMM: 4 -0.329025187137E+03 0.27328E-03 -0.72998E-04 5031 0.557E-02 0.983E-02 RMM: 5 -0.329025127560E+03 0.59577E-04 -0.81533E-05 3681 0.241E-02 0.688E-02 RMM: 6 -0.329025103391E+03 0.24169E-04 -0.22872E-05 2555 0.146E-02 0.413E-02 RMM: 7 -0.329025101199E+03 0.21914E-05 -0.28787E-05 2634 0.154E-02 2799 T= 5595. E= 0.67484192E+03 F= 0.62724389E+03 E0= 0.65591367E+03 EK= 0.45564E+02 SP= 0.20E+01 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328416219519E+03 0.60888E+00 -0.10510E-01 8400 0.220E+01 0.170E-01 RMM: 2 -0.328430360088E+03 -0.14141E-01 -0.10856E-01 5145 0.706E-01 0.803E-01 RMM: 3 -0.328425295623E+03 0.50645E-02 -0.10298E-02 6026 0.189E-01 0.171E-01 RMM: 4 -0.328424976740E+03 0.31888E-03 -0.61077E-04 4610 0.560E-02 0.912E-02 RMM: 5 -0.328424927715E+03 0.49025E-04 -0.86028E-05 3564 0.239E-02 0.690E-02 RMM: 6 -0.328424903146E+03 0.24569E-04 -0.22496E-05 2574 0.149E-02 0.399E-02 RMM: 7 -0.328424902712E+03 0.43451E-06 -0.16289E-05 2513 0.120E-02 2800 T= 5528. E= 0.67484668E+03 F= 0.62784409E+03 E0= 0.65647666E+03 EK= 0.45014E+02 SP= 0.20E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328022918008E+03 0.40199E+00 -0.97802E-02 8216 0.219E+01 0.166E-01 RMM: 2 -0.328035198617E+03 -0.12281E-01 -0.98334E-02 5103 0.677E-01 0.717E-01 RMM: 3 -0.328031161011E+03 0.40376E-02 -0.97581E-03 5946 0.187E-01 0.141E-01 RMM: 4 -0.328030927570E+03 0.23344E-03 -0.53861E-04 4656 0.495E-02 0.922E-02 RMM: 5 -0.328030870952E+03 0.56618E-04 -0.68678E-05 3477 0.225E-02 0.598E-02 RMM: 6 -0.328030854872E+03 0.16080E-04 -0.19665E-05 2537 0.135E-02 2801 T= 5489. E= 0.67485045E+03 F= 0.62823813E+03 E0= 0.65683669E+03 EK= 0.44700E+02 SP= 0.19E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327891937992E+03 0.13893E+00 -0.92591E-02 8008 0.218E+01 0.205E-01 RMM: 2 -0.327906657932E+03 -0.14720E-01 -0.79520E-02 5310 0.618E-01 0.109E+00 RMM: 3 -0.327898251742E+03 0.84062E-02 -0.80957E-03 5576 0.191E-01 0.196E-01 RMM: 4 -0.327897955975E+03 0.29577E-03 -0.71876E-04 4815 0.535E-02 0.778E-02 RMM: 5 -0.327897919227E+03 0.36748E-04 -0.70463E-05 3582 0.213E-02 0.680E-02 RMM: 6 -0.327897901521E+03 0.17706E-04 -0.18350E-05 2527 0.129E-02 2802 T= 5486. E= 0.67485221E+03 F= 0.62837109E+03 E0= 0.65694057E+03 EK= 0.44678E+02 SP= 0.18E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328046953805E+03 -0.14903E+00 -0.92037E-02 7736 0.219E+01 0.303E-01 RMM: 2 -0.328073618775E+03 -0.26665E-01 -0.79340E-02 5198 0.648E-01 0.174E+00 RMM: 3 -0.328052678283E+03 0.20940E-01 -0.11999E-02 5376 0.264E-01 0.282E-01 RMM: 4 -0.328052091402E+03 0.58688E-03 -0.13796E-03 4734 0.738E-02 0.779E-02 RMM: 5 -0.328052062675E+03 0.28727E-04 -0.13737E-04 4066 0.268E-02 0.788E-02 RMM: 6 -0.328052029036E+03 0.33639E-04 -0.23856E-05 2595 0.150E-02 0.485E-02 RMM: 7 -0.328052051914E+03 -0.22878E-04 -0.35010E-05 2882 0.174E-02 0.816E-02 RMM: 8 -0.328052009261E+03 0.42653E-04 -0.69203E-05 3353 0.183E-02 0.348E-02 RMM: 9 -0.328052003021E+03 0.62400E-05 -0.13464E-05 2485 0.109E-02 2803 T= 5523. E= 0.67485134E+03 F= 0.62821699E+03 E0= 0.65676304E+03 EK= 0.44973E+02 SP= 0.16E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328478862422E+03 -0.42685E+00 -0.91134E-02 7760 0.220E+01 0.249E-01 RMM: 2 -0.328495413988E+03 -0.16552E-01 -0.72407E-02 5160 0.595E-01 0.126E+00 RMM: 3 -0.328484180736E+03 0.11233E-01 -0.84004E-03 5402 0.210E-01 0.238E-01 RMM: 4 -0.328483935234E+03 0.24550E-03 -0.12069E-03 4666 0.764E-02 0.160E-01 RMM: 5 -0.328483902682E+03 0.32553E-04 -0.21236E-04 3897 0.373E-02 0.150E-01 RMM: 6 -0.328483749396E+03 0.15329E-03 -0.74703E-05 3511 0.256E-02 0.316E-02 RMM: 7 -0.328483759699E+03 -0.10304E-04 -0.24197E-05 2601 0.144E-02 2804 T= 5597. E= 0.67484792E+03 F= 0.62778523E+03 E0= 0.65631446E+03 EK= 0.45577E+02 SP= 0.14E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329141581516E+03 -0.65783E+00 -0.93891E-02 8056 0.222E+01 0.183E-01 RMM: 2 -0.329155084604E+03 -0.13503E-01 -0.72437E-02 5190 0.605E-01 0.104E+00 RMM: 3 -0.329147324893E+03 0.77597E-02 -0.73783E-03 5507 0.182E-01 0.173E-01 RMM: 4 -0.329147095596E+03 0.22930E-03 -0.63933E-04 4751 0.518E-02 0.681E-02 RMM: 5 -0.329147071996E+03 0.23600E-04 -0.76758E-05 3686 0.222E-02 0.662E-02 RMM: 6 -0.329147046041E+03 0.25955E-04 -0.19740E-05 2544 0.134E-02 0.386E-02 RMM: 7 -0.329147047368E+03 -0.13271E-05 -0.29575E-05 2659 0.156E-02 2805 T= 5703. E= 0.67484273E+03 F= 0.62712194E+03 E0= 0.65563996E+03 EK= 0.46444E+02 SP= 0.11E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329964382274E+03 -0.81734E+00 -0.98245E-02 8064 0.225E+01 0.145E-01 RMM: 2 -0.329974293010E+03 -0.99107E-02 -0.80017E-02 5143 0.621E-01 0.654E-01 RMM: 3 -0.329970957925E+03 0.33351E-02 -0.77083E-03 6012 0.162E-01 0.127E-01 RMM: 4 -0.329970777669E+03 0.18026E-03 -0.42455E-04 4292 0.470E-02 0.962E-02 RMM: 5 -0.329970713047E+03 0.64621E-04 -0.64527E-05 3388 0.232E-02 0.530E-02 RMM: 6 -0.329970701741E+03 0.11306E-04 -0.18580E-05 2531 0.128E-02 2806 T= 5833. E= 0.67483637E+03 F= 0.62629829E+03 E0= 0.65481019E+03 EK= 0.47501E+02 SP= 0.88E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330859154993E+03 -0.88844E+00 -0.11218E-01 8272 0.228E+01 0.190E-01 RMM: 2 -0.330876148964E+03 -0.16994E-01 -0.11060E-01 4967 0.736E-01 0.102E+00 RMM: 3 -0.330868373567E+03 0.77754E-02 -0.11778E-02 5658 0.216E-01 0.165E-01 RMM: 4 -0.330868097261E+03 0.27631E-03 -0.80614E-04 5117 0.564E-02 0.882E-02 RMM: 5 -0.330868042871E+03 0.54389E-04 -0.80457E-05 3685 0.241E-02 0.679E-02 RMM: 6 -0.330868028964E+03 0.13908E-04 -0.19663E-05 2526 0.131E-02 2807 T= 5975. E= 0.67482979E+03 F= 0.62540096E+03 E0= 0.65391027E+03 EK= 0.48661E+02 SP= 0.58E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331740703285E+03 -0.87266E+00 -0.11111E-01 8560 0.231E+01 0.299E-01 RMM: 2 -0.331769531988E+03 -0.28829E-01 -0.10527E-01 5172 0.730E-01 0.171E+00 RMM: 3 -0.331748762013E+03 0.20770E-01 -0.13415E-02 5391 0.267E-01 0.292E-01 RMM: 4 -0.331748150566E+03 0.61145E-03 -0.15569E-03 4782 0.786E-02 0.953E-02 RMM: 5 -0.331748110595E+03 0.39970E-04 -0.16229E-04 4152 0.297E-02 0.865E-02 RMM: 6 -0.331748075952E+03 0.34643E-04 -0.25225E-05 2583 0.152E-02 0.650E-02 RMM: 7 -0.331748090968E+03 -0.15016E-04 -0.38955E-05 2933 0.184E-02 2808 T= 6119. E= 0.67482315E+03 F= 0.62452090E+03 E0= 0.65303092E+03 EK= 0.49828E+02 SP= 0.26E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332516299302E+03 -0.76822E+00 -0.11706E-01 8624 0.234E+01 0.292E-01 RMM: 2 -0.332540571681E+03 -0.24272E-01 -0.11797E-01 5053 0.762E-01 0.146E+00 RMM: 3 -0.332525407129E+03 0.15165E-01 -0.14065E-02 5443 0.267E-01 0.274E-01 RMM: 4 -0.332524932396E+03 0.47473E-03 -0.16362E-03 4746 0.851E-02 0.133E-01 RMM: 5 -0.332524876321E+03 0.56075E-04 -0.23300E-04 3893 0.380E-02 0.115E-01 RMM: 6 -0.332524791937E+03 0.84384E-04 -0.55637E-05 3281 0.219E-02 0.385E-02 RMM: 7 -0.332524795650E+03 -0.37123E-05 -0.21993E-05 2555 0.144E-02 2809 T= 6252. E= 0.67481754E+03 F= 0.62374419E+03 E0= 0.65225679E+03 EK= 0.50914E+02 SP= -.66E-01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333113141456E+03 -0.58835E+00 -0.12618E-01 8952 0.236E+01 0.224E-01 RMM: 2 -0.333133595644E+03 -0.20454E-01 -0.12096E-01 5206 0.747E-01 0.121E+00 RMM: 3 -0.333122806785E+03 0.10789E-01 -0.11538E-02 5503 0.226E-01 0.198E-01 RMM: 4 -0.333122506191E+03 0.30059E-03 -0.10193E-03 4972 0.626E-02 0.105E-01 RMM: 5 -0.333122428210E+03 0.77982E-04 -0.11312E-04 3811 0.278E-02 0.737E-02 RMM: 6 -0.333122404748E+03 0.23462E-04 -0.25540E-05 2582 0.149E-02 0.613E-02 RMM: 7 -0.333122398517E+03 0.62302E-05 -0.33891E-05 2661 0.164E-02 2810 T= 6365. E= 0.67481312E+03 F= 0.62314659E+03 E0= 0.65166116E+03 EK= 0.51837E+02 SP= -.41E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333473333090E+03 -0.35093E+00 -0.13274E-01 8936 0.239E+01 0.167E-01 RMM: 2 -0.333488909606E+03 -0.15577E-01 -0.12674E-01 5171 0.753E-01 0.770E-01 RMM: 3 -0.333483875845E+03 0.50338E-02 -0.11433E-02 5876 0.203E-01 0.179E-01 RMM: 4 -0.333483547087E+03 0.32876E-03 -0.71024E-04 4738 0.574E-02 0.927E-02 RMM: 5 -0.333483492633E+03 0.54454E-04 -0.92916E-05 3686 0.251E-02 0.679E-02 RMM: 6 -0.333483475793E+03 0.16840E-04 -0.21586E-05 2552 0.139E-02 2811 T= 6451. E= 0.67481009E+03 F= 0.62278551E+03 E0= 0.65130150E+03 EK= 0.52535E+02 SP= -.75E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333567318311E+03 -0.83826E-01 -0.14769E-01 8832 0.240E+01 0.199E-01 RMM: 2 -0.333587325536E+03 -0.20007E-01 -0.15133E-01 5073 0.828E-01 0.937E-01 RMM: 3 -0.333580022283E+03 0.73033E-02 -0.14085E-02 5706 0.235E-01 0.211E-01 RMM: 4 -0.333579605312E+03 0.41697E-03 -0.95083E-04 5088 0.625E-02 0.949E-02 RMM: 5 -0.333579547800E+03 0.57513E-04 -0.99780E-05 3944 0.254E-02 0.824E-02 RMM: 6 -0.333579531496E+03 0.16304E-04 -0.26598E-05 2570 0.153E-02 2812 T= 6505. E= 0.67480954E+03 F= 0.62268946E+03 E0= 0.65120378E+03 EK= 0.52976E+02 SP= -.11E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333413192555E+03 0.16636E+00 -0.15174E-01 8864 0.242E+01 0.372E-01 RMM: 2 -0.333459432314E+03 -0.46240E-01 -0.14486E-01 5072 0.843E-01 0.224E+00 RMM: 3 -0.333424352192E+03 0.35080E-01 -0.19531E-02 5377 0.333E-01 0.422E-01 RMM: 4 -0.333423098498E+03 0.12537E-02 -0.24584E-03 5164 0.102E-01 0.108E-01 RMM: 5 -0.333423097080E+03 0.14184E-05 -0.29023E-04 4270 0.336E-02 0.120E-01 RMM: 6 -0.333423019541E+03 0.77539E-04 -0.43351E-05 3040 0.193E-02 0.666E-02 RMM: 7 -0.333423038973E+03 -0.19433E-04 -0.50756E-05 3266 0.198E-02 2813 T= 6529. E= 0.67481262E+03 F= 0.62284595E+03 E0= 0.65135529E+03 EK= 0.53171E+02 SP= -.14E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333066029184E+03 0.35699E+00 -0.15692E-01 8904 0.242E+01 0.430E-01 RMM: 2 -0.333122269497E+03 -0.56240E-01 -0.15451E-01 5071 0.886E-01 0.253E+00 RMM: 3 -0.333077841893E+03 0.44428E-01 -0.22994E-02 5366 0.366E-01 0.465E-01 RMM: 4 -0.333076356200E+03 0.14857E-02 -0.31064E-03 5264 0.117E-01 0.144E-01 RMM: 5 -0.333076470649E+03 -0.11445E-03 -0.43846E-04 3962 0.468E-02 0.191E-01 RMM: 6 -0.333076244281E+03 0.22637E-03 -0.12657E-04 3836 0.314E-02 0.612E-02 RMM: 7 -0.333076243865E+03 0.41615E-06 -0.31714E-05 2889 0.160E-02 2814 T= 6530. E= 0.67481936E+03 F= 0.62319275E+03 E0= 0.65169227E+03 EK= 0.53178E+02 SP= -.18E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332628876082E+03 0.44737E+00 -0.15665E-01 8808 0.241E+01 0.327E-01 RMM: 2 -0.332665710801E+03 -0.36835E-01 -0.16375E-01 5059 0.915E-01 0.182E+00 RMM: 3 -0.332642319595E+03 0.23391E-01 -0.19262E-02 5411 0.318E-01 0.344E-01 RMM: 4 -0.332641500995E+03 0.81860E-03 -0.20719E-03 5196 0.891E-02 0.109E-01 RMM: 5 -0.332641444880E+03 0.56115E-04 -0.21202E-04 3959 0.333E-02 0.977E-02 RMM: 6 -0.332641390792E+03 0.54088E-04 -0.38645E-05 2941 0.182E-02 0.636E-02 RMM: 7 -0.332641394662E+03 -0.38698E-05 -0.26802E-05 2594 0.154E-02 2815 T= 6520. E= 0.67482641E+03 F= 0.62362759E+03 E0= 0.65211302E+03 EK= 0.53096E+02 SP= -.21E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332209992928E+03 0.43140E+00 -0.14168E-01 8328 0.240E+01 0.301E-01 RMM: 2 -0.332241555689E+03 -0.31563E-01 -0.16111E-01 4952 0.924E-01 0.160E+00 RMM: 3 -0.332223410942E+03 0.18145E-01 -0.19664E-02 5457 0.309E-01 0.266E-01 RMM: 4 -0.332222874278E+03 0.53666E-03 -0.19263E-03 5291 0.815E-02 0.941E-02 RMM: 5 -0.332222835380E+03 0.38898E-04 -0.17328E-04 3961 0.340E-02 0.878E-02 RMM: 6 -0.332222792925E+03 0.42456E-04 -0.33543E-05 2825 0.170E-02 0.518E-02 RMM: 7 -0.332222802981E+03 -0.10057E-04 -0.20895E-05 2548 0.145E-02 2816 T= 6511. E= 0.67483007E+03 F= 0.62404619E+03 E0= 0.65251384E+03 EK= 0.53026E+02 SP= -.25E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331864371960E+03 0.35842E+00 -0.12844E-01 7848 0.240E+01 0.214E-01 RMM: 2 -0.331884127865E+03 -0.19756E-01 -0.14366E-01 4919 0.864E-01 0.100E+00 RMM: 3 -0.331876610433E+03 0.75174E-02 -0.15339E-02 5665 0.247E-01 0.218E-01 RMM: 4 -0.331876171922E+03 0.43851E-03 -0.10552E-03 4937 0.690E-02 0.975E-02 RMM: 5 -0.331876142390E+03 0.29532E-04 -0.14674E-04 3929 0.316E-02 0.868E-02 RMM: 6 -0.331876095855E+03 0.46535E-04 -0.33969E-05 2855 0.173E-02 0.429E-02 RMM: 7 -0.331876102254E+03 -0.63984E-05 -0.21572E-05 2533 0.144E-02 2817 T= 6511. E= 0.67482912E+03 F= 0.62439289E+03 E0= 0.65284119E+03 EK= 0.53022E+02 SP= -.28E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331574364192E+03 0.30173E+00 -0.11991E-01 7944 0.241E+01 0.211E-01 RMM: 2 -0.331592566241E+03 -0.18202E-01 -0.11804E-01 4857 0.788E-01 0.107E+00 RMM: 3 -0.331584341049E+03 0.82252E-02 -0.12943E-02 5593 0.234E-01 0.220E-01 RMM: 4 -0.331583945426E+03 0.39562E-03 -0.98183E-04 4743 0.669E-02 0.871E-02 RMM: 5 -0.331583922322E+03 0.23104E-04 -0.14022E-04 3928 0.304E-02 0.789E-02 RMM: 6 -0.331583886868E+03 0.35454E-04 -0.30035E-05 2729 0.162E-02 0.410E-02 RMM: 7 -0.331583890859E+03 -0.39911E-05 -0.16949E-05 2507 0.132E-02 2818 T= 6517. E= 0.67482491E+03 F= 0.62468510E+03 E0= 0.65311338E+03 EK= 0.53069E+02 SP= -.32E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331270455991E+03 0.31343E+00 -0.12488E-01 8416 0.241E+01 0.230E-01 RMM: 2 -0.331289392719E+03 -0.18937E-01 -0.12322E-01 4993 0.802E-01 0.109E+00 RMM: 3 -0.331280662251E+03 0.87305E-02 -0.13653E-02 5603 0.243E-01 0.224E-01 RMM: 4 -0.331280252698E+03 0.40955E-03 -0.10391E-03 4853 0.663E-02 0.971E-02 RMM: 5 -0.331280209800E+03 0.42898E-04 -0.13429E-04 3881 0.307E-02 0.847E-02 RMM: 6 -0.331280171789E+03 0.38011E-04 -0.31296E-05 2730 0.168E-02 0.494E-02 RMM: 7 -0.331280175159E+03 -0.33702E-05 -0.20576E-05 2535 0.141E-02 2819 T= 6521. E= 0.67482135E+03 F= 0.62498881E+03 E0= 0.65339834E+03 EK= 0.53105E+02 SP= -.35E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330896259781E+03 0.38391E+00 -0.13141E-01 8864 0.242E+01 0.239E-01 RMM: 2 -0.330915550721E+03 -0.19291E-01 -0.12227E-01 5224 0.785E-01 0.114E+00 RMM: 3 -0.330906217059E+03 0.93337E-02 -0.12305E-02 5615 0.232E-01 0.242E-01 RMM: 4 -0.330905770274E+03 0.44678E-03 -0.10528E-03 4726 0.691E-02 0.111E-01 RMM: 5 -0.330905702805E+03 0.67469E-04 -0.13875E-04 3922 0.300E-02 0.821E-02 RMM: 6 -0.330905675509E+03 0.27295E-04 -0.26749E-05 2586 0.156E-02 0.603E-02 RMM: 7 -0.330905679195E+03 -0.36861E-05 -0.23851E-05 2572 0.148E-02 2820 T= 6517. E= 0.67482104E+03 F= 0.62536331E+03 E0= 0.65375575E+03 EK= 0.53073E+02 SP= -.38E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330437512408E+03 0.46816E+00 -0.14014E-01 8984 0.242E+01 0.235E-01 RMM: 2 -0.330457149350E+03 -0.19637E-01 -0.13101E-01 5166 0.802E-01 0.111E+00 RMM: 3 -0.330448262248E+03 0.88871E-02 -0.13242E-02 5582 0.241E-01 0.226E-01 RMM: 4 -0.330447882807E+03 0.37944E-03 -0.10792E-03 4870 0.671E-02 0.112E-01 RMM: 5 -0.330447820882E+03 0.61925E-04 -0.13730E-04 3868 0.306E-02 0.925E-02 RMM: 6 -0.330447779622E+03 0.41260E-04 -0.33006E-05 2818 0.174E-02 0.600E-02 RMM: 7 -0.330447783595E+03 -0.39732E-05 -0.30202E-05 2643 0.164E-02 2821 T= 6503. E= 0.67482446E+03 F= 0.62582121E+03 E0= 0.65419945E+03 EK= 0.52959E+02 SP= -.42E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329938686154E+03 0.50909E+00 -0.14159E-01 8992 0.241E+01 0.235E-01 RMM: 2 -0.329959836990E+03 -0.21151E-01 -0.13078E-01 5240 0.785E-01 0.120E+00 RMM: 3 -0.329949255420E+03 0.10582E-01 -0.12516E-02 5617 0.233E-01 0.228E-01 RMM: 4 -0.329948843529E+03 0.41189E-03 -0.10690E-03 4763 0.686E-02 0.107E-01 RMM: 5 -0.329948788949E+03 0.54580E-04 -0.14145E-04 3895 0.298E-02 0.847E-02 RMM: 6 -0.329948753800E+03 0.35148E-04 -0.30316E-05 2776 0.167E-02 0.564E-02 RMM: 7 -0.329948760842E+03 -0.70416E-05 -0.24318E-05 2578 0.148E-02 2822 T= 6484. E= 0.67482965E+03 F= 0.62632023E+03 E0= 0.65468596E+03 EK= 0.52806E+02 SP= -.45E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329474465174E+03 0.47429E+00 -0.14538E-01 8888 0.239E+01 0.224E-01 RMM: 2 -0.329494089775E+03 -0.19625E-01 -0.13463E-01 5224 0.789E-01 0.108E+00 RMM: 3 -0.329485421327E+03 0.86684E-02 -0.12611E-02 5641 0.234E-01 0.229E-01 RMM: 4 -0.329485007963E+03 0.41336E-03 -0.10144E-03 4935 0.644E-02 0.902E-02 RMM: 5 -0.329484974230E+03 0.33734E-04 -0.13024E-04 3831 0.297E-02 0.882E-02 RMM: 6 -0.329484928755E+03 0.45475E-04 -0.32808E-05 2882 0.172E-02 0.486E-02 RMM: 7 -0.329484932475E+03 -0.37200E-05 -0.29843E-05 2636 0.164E-02 2823 T= 6470. E= 0.67483523E+03 F= 0.62678406E+03 E0= 0.65513951E+03 EK= 0.52688E+02 SP= -.49E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329131229842E+03 0.35370E+00 -0.14871E-01 8824 0.238E+01 0.207E-01 RMM: 2 -0.329150491377E+03 -0.19262E-01 -0.13208E-01 5318 0.773E-01 0.103E+00 RMM: 3 -0.329141919514E+03 0.85719E-02 -0.11122E-02 5556 0.223E-01 0.199E-01 RMM: 4 -0.329141614085E+03 0.30543E-03 -0.94481E-04 4857 0.634E-02 0.953E-02 RMM: 5 -0.329141574025E+03 0.40060E-04 -0.12747E-04 3852 0.286E-02 0.821E-02 RMM: 6 -0.329141531455E+03 0.42570E-04 -0.30856E-05 2830 0.168E-02 0.420E-02 RMM: 7 -0.329141535963E+03 -0.45085E-05 -0.19408E-05 2537 0.132E-02 2824 T= 6470. E= 0.67483997E+03 F= 0.62712745E+03 E0= 0.65547289E+03 EK= 0.52690E+02 SP= -.52E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328981139706E+03 0.16039E+00 -0.14604E-01 8832 0.238E+01 0.209E-01 RMM: 2 -0.328999027316E+03 -0.17888E-01 -0.13026E-01 5287 0.775E-01 0.956E-01 RMM: 3 -0.328991704029E+03 0.73233E-02 -0.11473E-02 5715 0.221E-01 0.206E-01 RMM: 4 -0.328991338602E+03 0.36543E-03 -0.84617E-04 4970 0.597E-02 0.821E-02 RMM: 5 -0.328991304122E+03 0.34479E-04 -0.11072E-04 3740 0.275E-02 0.747E-02 RMM: 6 -0.328991269611E+03 0.34511E-04 -0.26802E-05 2662 0.155E-02 0.430E-02 RMM: 7 -0.328991271017E+03 -0.14051E-05 -0.21258E-05 2554 0.138E-02 2825 T= 6494. E= 0.67484252E+03 F= 0.62727772E+03 E0= 0.65561374E+03 EK= 0.52885E+02 SP= -.56E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329068309062E+03 -0.77039E-01 -0.14427E-01 8544 0.238E+01 0.201E-01 RMM: 2 -0.329087151305E+03 -0.18842E-01 -0.13037E-01 5237 0.785E-01 0.102E+00 RMM: 3 -0.329079187322E+03 0.79640E-02 -0.11922E-02 5619 0.226E-01 0.194E-01 RMM: 4 -0.329078862146E+03 0.32518E-03 -0.88898E-04 4931 0.608E-02 0.881E-02 RMM: 5 -0.329078823817E+03 0.38329E-04 -0.11325E-04 3750 0.276E-02 0.786E-02 RMM: 6 -0.329078785383E+03 0.38434E-04 -0.28767E-05 2737 0.164E-02 0.421E-02 RMM: 7 -0.329078787918E+03 -0.25349E-05 -0.20198E-05 2550 0.133E-02 2826 T= 6547. E= 0.67484243E+03 F= 0.62719020E+03 E0= 0.65551641E+03 EK= 0.53317E+02 SP= -.59E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329402798604E+03 -0.32401E+00 -0.13686E-01 8536 0.240E+01 0.213E-01 RMM: 2 -0.329420318040E+03 -0.17519E-01 -0.12444E-01 5186 0.773E-01 0.983E-01 RMM: 3 -0.329412984564E+03 0.73335E-02 -0.11825E-02 5714 0.225E-01 0.220E-01 RMM: 4 -0.329412578713E+03 0.40585E-03 -0.88790E-04 4842 0.620E-02 0.834E-02 RMM: 5 -0.329412548071E+03 0.30642E-04 -0.11797E-04 3777 0.283E-02 0.801E-02 RMM: 6 -0.329412507267E+03 0.40804E-04 -0.27900E-05 2736 0.159E-02 0.421E-02 RMM: 7 -0.329412507196E+03 0.70326E-07 -0.19586E-05 2533 0.135E-02 2827 T= 6630. E= 0.67483973E+03 F= 0.62685648E+03 E0= 0.65517429E+03 EK= 0.53995E+02 SP= -.62E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329953656728E+03 -0.54115E+00 -0.13206E-01 8320 0.242E+01 0.211E-01 RMM: 2 -0.329971995300E+03 -0.18339E-01 -0.11595E-01 5163 0.761E-01 0.108E+00 RMM: 3 -0.329963197142E+03 0.87982E-02 -0.11496E-02 5602 0.225E-01 0.203E-01 RMM: 4 -0.329962857864E+03 0.33928E-03 -0.89305E-04 4848 0.621E-02 0.873E-02 RMM: 5 -0.329962818427E+03 0.39437E-04 -0.11074E-04 3773 0.266E-02 0.779E-02 RMM: 6 -0.329962783829E+03 0.34597E-04 -0.26304E-05 2664 0.156E-02 0.454E-02 RMM: 7 -0.329962785646E+03 -0.18163E-05 -0.19397E-05 2541 0.133E-02 2828 T= 6740. E= 0.67483508E+03 F= 0.62630620E+03 E0= 0.65461752E+03 EK= 0.54887E+02 SP= -.66E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330659145113E+03 -0.69636E+00 -0.12784E-01 8000 0.245E+01 0.198E-01 RMM: 2 -0.330674314870E+03 -0.15170E-01 -0.11741E-01 5072 0.776E-01 0.836E-01 RMM: 3 -0.330668966014E+03 0.53489E-02 -0.12322E-02 5756 0.222E-01 0.185E-01 RMM: 4 -0.330668649026E+03 0.31699E-03 -0.78704E-04 4892 0.585E-02 0.929E-02 RMM: 5 -0.330668597621E+03 0.51405E-04 -0.10396E-04 3700 0.271E-02 0.763E-02 RMM: 6 -0.330668563792E+03 0.33829E-04 -0.25323E-05 2615 0.153E-02 0.427E-02 RMM: 7 -0.330668560338E+03 0.34548E-05 -0.21199E-05 2532 0.142E-02 2829 T= 6868. E= 0.67482845E+03 F= 0.62560043E+03 E0= 0.65390982E+03 EK= 0.55929E+02 SP= -.69E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331435084561E+03 -0.76652E+00 -0.12523E-01 7744 0.249E+01 0.189E-01 RMM: 2 -0.331448709527E+03 -0.13625E-01 -0.97959E-02 5072 0.728E-01 0.869E-01 RMM: 3 -0.331443293189E+03 0.54163E-02 -0.10449E-02 5757 0.203E-01 0.175E-01 RMM: 4 -0.331443007158E+03 0.28603E-03 -0.67827E-04 4711 0.574E-02 0.100E-01 RMM: 5 -0.331442949304E+03 0.57854E-04 -0.10201E-04 3695 0.265E-02 0.765E-02 RMM: 6 -0.331442915915E+03 0.33389E-04 -0.27265E-05 2691 0.162E-02 0.427E-02 RMM: 7 -0.331442913406E+03 0.25086E-05 -0.23367E-05 2550 0.143E-02 2830 T= 7003. E= 0.67482079E+03 F= 0.62482608E+03 E0= 0.65314000E+03 EK= 0.57030E+02 SP= -.72E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332175053486E+03 -0.73214E+00 -0.12519E-01 7680 0.252E+01 0.187E-01 RMM: 2 -0.332187224611E+03 -0.12171E-01 -0.97477E-02 4956 0.754E-01 0.755E-01 RMM: 3 -0.332183260968E+03 0.39636E-02 -0.11082E-02 5809 0.206E-01 0.154E-01 RMM: 4 -0.332183020746E+03 0.24022E-03 -0.64566E-04 4728 0.567E-02 0.111E-01 RMM: 5 -0.332182938567E+03 0.82179E-04 -0.10328E-04 3682 0.281E-02 0.648E-02 RMM: 6 -0.332182917245E+03 0.21322E-04 -0.25257E-05 2571 0.151E-02 0.385E-02 RMM: 7 -0.332182915861E+03 0.13847E-05 -0.17849E-05 2510 0.128E-02 2831 T= 7132. E= 0.67481245E+03 F= 0.62408607E+03 E0= 0.65241286E+03 EK= 0.58082E+02 SP= -.75E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332768769418E+03 -0.58585E+00 -0.12335E-01 7656 0.255E+01 0.166E-01 RMM: 2 -0.332779794060E+03 -0.11025E-01 -0.91285E-02 4953 0.731E-01 0.680E-01 RMM: 3 -0.332776589689E+03 0.32044E-02 -0.10141E-02 5865 0.190E-01 0.142E-01 RMM: 4 -0.332776382539E+03 0.20715E-03 -0.53628E-04 4601 0.558E-02 0.113E-01 RMM: 5 -0.332776295832E+03 0.86707E-04 -0.96884E-05 3633 0.280E-02 0.639E-02 RMM: 6 -0.332776274964E+03 0.20869E-04 -0.25402E-05 2573 0.152E-02 0.382E-02 RMM: 7 -0.332776272904E+03 0.20592E-05 -0.20378E-05 2506 0.137E-02 2832 T= 7241. E= 0.67480498E+03 F= 0.62349272E+03 E0= 0.65184124E+03 EK= 0.58966E+02 SP= -.78E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333109554235E+03 -0.33328E+00 -0.13024E-01 7704 0.257E+01 0.169E-01 RMM: 2 -0.333121946839E+03 -0.12393E-01 -0.10711E-01 4823 0.799E-01 0.674E-01 RMM: 3 -0.333118855436E+03 0.30914E-02 -0.12621E-02 5948 0.209E-01 0.134E-01 RMM: 4 -0.333118636656E+03 0.21878E-03 -0.61213E-04 4679 0.600E-02 0.129E-01 RMM: 5 -0.333118526732E+03 0.10992E-03 -0.11107E-04 3724 0.310E-02 0.603E-02 RMM: 6 -0.333118509895E+03 0.16837E-04 -0.27729E-05 2585 0.156E-02 2833 T= 7316. E= 0.67480026E+03 F= 0.62315048E+03 E0= 0.65152872E+03 EK= 0.59575E+02 SP= -.80E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333126793137E+03 -0.82664E-02 -0.13532E-01 7648 0.259E+01 0.175E-01 RMM: 2 -0.333142448702E+03 -0.15656E-01 -0.11837E-01 4789 0.818E-01 0.855E-01 RMM: 3 -0.333137182328E+03 0.52664E-02 -0.13892E-02 5737 0.227E-01 0.171E-01 RMM: 4 -0.333136868849E+03 0.31348E-03 -0.72925E-04 4753 0.612E-02 0.937E-02 RMM: 5 -0.333136807142E+03 0.61707E-04 -0.10507E-04 3841 0.291E-02 0.635E-02 RMM: 6 -0.333136791427E+03 0.15715E-04 -0.26617E-05 2558 0.152E-02 2834 T= 7347. E= 0.67479904E+03 F= 0.62313220E+03 E0= 0.65154682E+03 EK= 0.59829E+02 SP= -.82E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332796809668E+03 0.34000E+00 -0.13211E-01 7576 0.259E+01 0.297E-01 RMM: 2 -0.332826186562E+03 -0.29377E-01 -0.10069E-01 4868 0.785E-01 0.176E+00 RMM: 3 -0.332804639803E+03 0.21547E-01 -0.14688E-02 5380 0.286E-01 0.259E-01 RMM: 4 -0.332804177282E+03 0.46252E-03 -0.15349E-03 4856 0.785E-02 0.887E-02 RMM: 5 -0.332804138028E+03 0.39254E-04 -0.15867E-04 4021 0.309E-02 0.869E-02 RMM: 6 -0.332804097618E+03 0.40410E-04 -0.32338E-05 2727 0.173E-02 0.523E-02 RMM: 7 -0.332804109009E+03 -0.11391E-04 -0.30673E-05 2646 0.170E-02 2835 T= 7331. E= 0.67480132E+03 F= 0.62346488E+03 E0= 0.65191956E+03 EK= 0.59700E+02 SP= -.84E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332139251910E+03 0.66485E+00 -0.13429E-01 7744 0.258E+01 0.349E-01 RMM: 2 -0.332166563180E+03 -0.27311E-01 -0.10829E-01 4842 0.813E-01 0.165E+00 RMM: 3 -0.332147726105E+03 0.18837E-01 -0.16816E-02 5375 0.311E-01 0.433E-01 RMM: 4 -0.332146438445E+03 0.12877E-02 -0.20752E-03 5069 0.978E-02 0.928E-02 RMM: 5 -0.332146498406E+03 -0.59961E-04 -0.28761E-04 3912 0.384E-02 0.144E-01 RMM: 6 -0.332146362241E+03 0.13617E-03 -0.71104E-05 3460 0.245E-02 0.428E-02 RMM: 7 -0.332146355892E+03 0.63490E-05 -0.17436E-05 2520 0.125E-02 2836 T= 7271. E= 0.67480684E+03 F= 0.62412263E+03 E0= 0.65261755E+03 EK= 0.59212E+02 SP= -.86E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331222450871E+03 0.92391E+00 -0.13732E-01 7904 0.255E+01 0.274E-01 RMM: 2 -0.331249253443E+03 -0.26803E-01 -0.12526E-01 4851 0.846E-01 0.156E+00 RMM: 3 -0.331232643454E+03 0.16610E-01 -0.15692E-02 5482 0.276E-01 0.265E-01 RMM: 4 -0.331232105924E+03 0.53753E-03 -0.13686E-03 4885 0.751E-02 0.906E-02 RMM: 5 -0.331232059579E+03 0.46345E-04 -0.16662E-04 3923 0.336E-02 0.829E-02 RMM: 6 -0.331232017429E+03 0.42150E-04 -0.35533E-05 2841 0.172E-02 0.518E-02 RMM: 7 -0.331232021928E+03 -0.44995E-05 -0.26810E-05 2586 0.159E-02 2837 T= 7176. E= 0.67481416E+03 F= 0.62503697E+03 E0= 0.65356845E+03 EK= 0.58436E+02 SP= -.87E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330139211561E+03 0.10928E+01 -0.13517E-01 7912 0.252E+01 0.235E-01 RMM: 2 -0.330157868974E+03 -0.18657E-01 -0.12566E-01 4851 0.836E-01 0.105E+00 RMM: 3 -0.330149621660E+03 0.82473E-02 -0.15009E-02 5599 0.254E-01 0.192E-01 RMM: 4 -0.330149286797E+03 0.33486E-03 -0.10759E-03 4892 0.678E-02 0.962E-02 RMM: 5 -0.330149252594E+03 0.34203E-04 -0.14217E-04 3843 0.327E-02 0.822E-02 RMM: 6 -0.330149208280E+03 0.44314E-04 -0.33806E-05 2851 0.170E-02 0.371E-02 RMM: 7 -0.330149210479E+03 -0.21992E-05 -0.18601E-05 2510 0.138E-02 2838 T= 7056. E= 0.67482079E+03 F= 0.62611978E+03 E0= 0.65468256E+03 EK= 0.57459E+02 SP= -.88E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328967529222E+03 0.11817E+01 -0.14251E-01 7928 0.249E+01 0.230E-01 RMM: 2 -0.328988764477E+03 -0.21235E-01 -0.14840E-01 4878 0.894E-01 0.109E+00 RMM: 3 -0.328980137549E+03 0.86269E-02 -0.16610E-02 5820 0.248E-01 0.252E-01 RMM: 4 -0.328979477166E+03 0.66038E-03 -0.11078E-03 4809 0.749E-02 0.901E-02 RMM: 5 -0.328979441145E+03 0.36022E-04 -0.16052E-04 3950 0.311E-02 0.867E-02 RMM: 6 -0.328979394469E+03 0.46676E-04 -0.32604E-05 2815 0.169E-02 0.448E-02 RMM: 7 -0.328979394456E+03 0.13406E-07 -0.21153E-05 2534 0.139E-02 2839 T= 6922. E= 0.67482559E+03 F= 0.62728959E+03 E0= 0.65587586E+03 EK= 0.56369E+02 SP= -.88E+01 SK= 0.77E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327769186241E+03 0.12102E+01 -0.14094E-01 7832 0.245E+01 0.172E-01 RMM: 2 -0.327785639073E+03 -0.16453E-01 -0.13540E-01 4863 0.847E-01 0.778E-01 RMM: 3 -0.327780985853E+03 0.46532E-02 -0.14998E-02 6010 0.226E-01 0.149E-01 RMM: 4 -0.327780658987E+03 0.32687E-03 -0.70756E-04 4814 0.604E-02 0.108E-01 RMM: 5 -0.327780589449E+03 0.69538E-04 -0.10557E-04 3696 0.296E-02 0.639E-02 RMM: 6 -0.327780568751E+03 0.20697E-04 -0.27576E-05 2600 0.157E-02 0.419E-02 RMM: 7 -0.327780573516E+03 -0.47645E-05 -0.23912E-05 2564 0.147E-02 2840 T= 6782. E= 0.67482893E+03 F= 0.62848842E+03 E0= 0.65709024E+03 EK= 0.55230E+02 SP= -.89E+01 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326577899674E+03 0.12027E+01 -0.13201E-01 7904 0.241E+01 0.156E-01 RMM: 2 -0.326591273258E+03 -0.13374E-01 -0.11426E-01 4981 0.754E-01 0.671E-01 RMM: 3 -0.326587613313E+03 0.36599E-02 -0.11713E-02 6114 0.199E-01 0.121E-01 RMM: 4 -0.326587408043E+03 0.20527E-03 -0.54691E-04 4578 0.549E-02 0.136E-01 RMM: 5 -0.326587281815E+03 0.12623E-03 -0.94783E-05 3600 0.290E-02 0.556E-02 RMM: 6 -0.326587268201E+03 0.13613E-04 -0.23646E-05 2547 0.143E-02 2841 T= 6641. E= 0.67483156E+03 F= 0.62968172E+03 E0= 0.65829199E+03 EK= 0.54084E+02 SP= -.89E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325410272372E+03 0.11770E+01 -0.12881E-01 7960 0.238E+01 0.202E-01 RMM: 2 -0.325431056233E+03 -0.20784E-01 -0.11765E-01 5057 0.759E-01 0.121E+00 RMM: 3 -0.325420124510E+03 0.10932E-01 -0.12321E-02 5541 0.228E-01 0.171E-01 RMM: 4 -0.325419867371E+03 0.25714E-03 -0.94294E-04 5100 0.599E-02 0.955E-02 RMM: 5 -0.325419801133E+03 0.66238E-04 -0.92880E-05 3791 0.263E-02 0.637E-02 RMM: 6 -0.325419788864E+03 0.12269E-04 -0.23034E-05 2554 0.139E-02 2842 T= 6503. E= 0.67483447E+03 F= 0.63084920E+03 E0= 0.65946164E+03 EK= 0.52957E+02 SP= -.90E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324292860485E+03 0.11269E+01 -0.12064E-01 8048 0.234E+01 0.377E-01 RMM: 2 -0.324332237777E+03 -0.39377E-01 -0.11215E-01 5084 0.786E-01 0.214E+00 RMM: 3 -0.324301196801E+03 0.31041E-01 -0.17836E-02 5378 0.321E-01 0.364E-01 RMM: 4 -0.324300245918E+03 0.95088E-03 -0.21756E-03 4934 0.946E-02 0.998E-02 RMM: 5 -0.324300233994E+03 0.11924E-04 -0.24692E-04 3980 0.347E-02 0.107E-01 RMM: 6 -0.324300162388E+03 0.71606E-04 -0.45542E-05 3093 0.203E-02 0.466E-02 RMM: 7 -0.324300164902E+03 -0.25146E-05 -0.18805E-05 2522 0.131E-02 2843 T= 6371. E= 0.67483839E+03 F= 0.63196882E+03 E0= 0.66057888E+03 EK= 0.51878E+02 SP= -.90E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323257259256E+03 0.10429E+01 -0.11625E-01 8080 0.232E+01 0.320E-01 RMM: 2 -0.323284884443E+03 -0.27625E-01 -0.10468E-01 5165 0.706E-01 0.165E+00 RMM: 3 -0.323265446005E+03 0.19438E-01 -0.14667E-02 5371 0.287E-01 0.358E-01 RMM: 4 -0.323264629870E+03 0.81613E-03 -0.17951E-03 4852 0.868E-02 0.115E-01 RMM: 5 -0.323264623717E+03 0.61530E-05 -0.23991E-04 3894 0.381E-02 0.126E-01 RMM: 6 -0.323264519660E+03 0.10406E-03 -0.61720E-05 3351 0.232E-02 0.406E-02 RMM: 7 -0.323264515027E+03 0.46335E-05 -0.16438E-05 2513 0.124E-02 2844 T= 6249. E= 0.67484293E+03 F= 0.63300447E+03 E0= 0.66161012E+03 EK= 0.50888E+02 SP= -.91E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322354063894E+03 0.91046E+00 -0.11419E-01 8096 0.229E+01 0.285E-01 RMM: 2 -0.322378734825E+03 -0.24671E-01 -0.10818E-01 5066 0.748E-01 0.153E+00 RMM: 3 -0.322362584393E+03 0.16150E-01 -0.13395E-02 5418 0.263E-01 0.280E-01 RMM: 4 -0.322362021958E+03 0.56244E-03 -0.13845E-03 4873 0.728E-02 0.905E-02 RMM: 5 -0.322361977843E+03 0.44115E-04 -0.15257E-04 3886 0.318E-02 0.794E-02 RMM: 6 -0.322361939526E+03 0.38317E-04 -0.31279E-05 2762 0.167E-02 0.476E-02 RMM: 7 -0.322361948593E+03 -0.90664E-05 -0.28839E-05 2586 0.162E-02 2845 T= 6145. E= 0.67484744E+03 F= 0.63390704E+03 E0= 0.66250832E+03 EK= 0.50040E+02 SP= -.91E+01 SK= 0.69E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321637410342E+03 0.72453E+00 -0.11470E-01 8184 0.227E+01 0.232E-01 RMM: 2 -0.321656390387E+03 -0.18980E-01 -0.10145E-01 5070 0.704E-01 0.122E+00 RMM: 3 -0.321645581674E+03 0.10809E-01 -0.10832E-02 5471 0.229E-01 0.223E-01 RMM: 4 -0.321645242158E+03 0.33952E-03 -0.10533E-03 4800 0.658E-02 0.894E-02 RMM: 5 -0.321645223783E+03 0.18375E-04 -0.13516E-04 3830 0.298E-02 2846 T= 6065. E= 0.67485039E+03 F= 0.63462377E+03 E0= 0.66322239E+03 EK= 0.49387E+02 SP= -.92E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321143079284E+03 0.50216E+00 -0.11761E-01 8088 0.226E+01 0.167E-01 RMM: 2 -0.321159885481E+03 -0.16806E-01 -0.11935E-01 5083 0.746E-01 0.926E-01 RMM: 3 -0.321153168776E+03 0.67167E-02 -0.11276E-02 5758 0.210E-01 0.165E-01 RMM: 4 -0.321152896437E+03 0.27234E-03 -0.68459E-04 4973 0.538E-02 0.914E-02 RMM: 5 -0.321152842941E+03 0.53497E-04 -0.80552E-05 3680 0.235E-02 0.743E-02 RMM: 6 -0.321152829440E+03 0.13501E-04 -0.26989E-05 2568 0.154E-02 2847 T= 6014. E= 0.67485183E+03 F= 0.63511616E+03 E0= 0.66371405E+03 EK= 0.48973E+02 SP= -.93E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320891510521E+03 0.26133E+00 -0.12278E-01 8224 0.227E+01 0.313E-01 RMM: 2 -0.320929598378E+03 -0.38088E-01 -0.12962E-01 4841 0.803E-01 0.197E+00 RMM: 3 -0.320902008274E+03 0.27590E-01 -0.17446E-02 5399 0.304E-01 0.281E-01 RMM: 4 -0.320901467473E+03 0.54080E-03 -0.20170E-03 5190 0.832E-02 0.985E-02 RMM: 5 -0.320901441261E+03 0.26213E-04 -0.18902E-04 3918 0.335E-02 0.989E-02 RMM: 6 -0.320901383622E+03 0.57638E-04 -0.40670E-05 3043 0.187E-02 0.463E-02 RMM: 7 -0.320901384491E+03 -0.86905E-06 -0.19306E-05 2520 0.140E-02 2848 T= 5994. E= 0.67485100E+03 F= 0.63536760E+03 E0= 0.66396884E+03 EK= 0.48813E+02 SP= -.94E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320869884744E+03 0.31499E-01 -0.12925E-01 8352 0.228E+01 0.429E-01 RMM: 2 -0.320925226100E+03 -0.55341E-01 -0.15483E-01 4905 0.910E-01 0.253E+00 RMM: 3 -0.320881498427E+03 0.43728E-01 -0.23933E-02 5395 0.368E-01 0.407E-01 RMM: 4 -0.320880280173E+03 0.12183E-02 -0.28834E-03 5269 0.108E-01 0.130E-01 RMM: 5 -0.320880305312E+03 -0.25140E-04 -0.37894E-04 3930 0.434E-02 0.155E-01 RMM: 6 -0.320880146715E+03 0.15860E-03 -0.10414E-04 3764 0.284E-02 0.481E-02 RMM: 7 -0.320880138483E+03 0.82320E-05 -0.20477E-05 2564 0.129E-02 2849 T= 6005. E= 0.67484866E+03 F= 0.63538885E+03 E0= 0.66399659E+03 EK= 0.48901E+02 SP= -.95E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321043670505E+03 -0.16352E+00 -0.13663E-01 8584 0.230E+01 0.260E-01 RMM: 2 -0.321072497979E+03 -0.28827E-01 -0.13908E-01 5049 0.806E-01 0.155E+00 RMM: 3 -0.321055151314E+03 0.17347E-01 -0.15193E-02 5456 0.268E-01 0.255E-01 RMM: 4 -0.321054673186E+03 0.47813E-03 -0.15310E-03 5078 0.747E-02 0.100E-01 RMM: 5 -0.321054625122E+03 0.48064E-04 -0.15955E-04 3885 0.321E-02 0.834E-02 RMM: 6 -0.321054581464E+03 0.43658E-04 -0.35000E-05 2919 0.175E-02 0.468E-02 RMM: 7 -0.321054588453E+03 -0.69891E-05 -0.23407E-05 2568 0.148E-02 2850 T= 6042. E= 0.67484461E+03 F= 0.63521440E+03 E0= 0.66383131E+03 EK= 0.49200E+02 SP= -.96E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321360375627E+03 -0.30579E+00 -0.13897E-01 8568 0.232E+01 0.245E-01 RMM: 2 -0.321383085741E+03 -0.22710E-01 -0.14334E-01 5048 0.828E-01 0.121E+00 RMM: 3 -0.321372278816E+03 0.10807E-01 -0.14864E-02 5695 0.248E-01 0.258E-01 RMM: 4 -0.321371687433E+03 0.59138E-03 -0.12118E-03 4783 0.736E-02 0.976E-02 RMM: 5 -0.321371667103E+03 0.20330E-04 -0.17033E-04 3913 0.320E-02 0.918E-02 RMM: 6 -0.321371611865E+03 0.55239E-04 -0.35259E-05 2940 0.178E-02 0.398E-02 RMM: 7 -0.321371613007E+03 -0.11425E-05 -0.16752E-05 2513 0.128E-02 2851 T= 6098. E= 0.67483981E+03 F= 0.63489738E+03 E0= 0.66352603E+03 EK= 0.49658E+02 SP= -.98E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321759222147E+03 -0.38761E+00 -0.14210E-01 8728 0.235E+01 0.183E-01 RMM: 2 -0.321776959182E+03 -0.17737E-01 -0.13838E-01 5145 0.788E-01 0.869E-01 RMM: 3 -0.321770784621E+03 0.61746E-02 -0.12892E-02 5857 0.219E-01 0.175E-01 RMM: 4 -0.321770450062E+03 0.33456E-03 -0.78937E-04 4776 0.602E-02 0.105E-01 RMM: 5 -0.321770380911E+03 0.69151E-04 -0.11109E-04 3749 0.274E-02 0.706E-02 RMM: 6 -0.321770355097E+03 0.25814E-04 -0.27287E-05 2632 0.156E-02 0.492E-02 RMM: 7 -0.321770354103E+03 0.99384E-06 -0.33821E-05 2657 0.168E-02 2852 T= 6166. E= 0.67483508E+03 F= 0.63449864E+03 E0= 0.66313953E+03 EK= 0.50215E+02 SP= -.99E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322181977486E+03 -0.41162E+00 -0.14743E-01 8744 0.237E+01 0.198E-01 RMM: 2 -0.322200028592E+03 -0.18051E-01 -0.13386E-01 5174 0.787E-01 0.949E-01 RMM: 3 -0.322193002160E+03 0.70264E-02 -0.12369E-02 5905 0.217E-01 0.187E-01 RMM: 4 -0.322192644329E+03 0.35783E-03 -0.79227E-04 4783 0.606E-02 0.107E-01 RMM: 5 -0.322192590841E+03 0.53488E-04 -0.11863E-04 3750 0.281E-02 0.772E-02 RMM: 6 -0.322192556250E+03 0.34591E-04 -0.31090E-05 2870 0.170E-02 0.450E-02 RMM: 7 -0.322192562399E+03 -0.61493E-05 -0.27722E-05 2600 0.155E-02 2853 T= 6239. E= 0.67483104E+03 F= 0.63407643E+03 E0= 0.66272931E+03 EK= 0.50809E+02 SP= -.10E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322580889142E+03 -0.38833E+00 -0.14517E-01 8608 0.239E+01 0.192E-01 RMM: 2 -0.322598260016E+03 -0.17371E-01 -0.13215E-01 5230 0.777E-01 0.911E-01 RMM: 3 -0.322591781594E+03 0.64784E-02 -0.12269E-02 5941 0.213E-01 0.180E-01 RMM: 4 -0.322591441011E+03 0.34058E-03 -0.76393E-04 4753 0.600E-02 0.104E-01 RMM: 5 -0.322591377935E+03 0.63076E-04 -0.10862E-04 3730 0.265E-02 0.714E-02 RMM: 6 -0.322591351973E+03 0.25962E-04 -0.25422E-05 2623 0.154E-02 0.465E-02 RMM: 7 -0.322591355358E+03 -0.33846E-05 -0.25856E-05 2593 0.150E-02 2854 T= 6311. E= 0.67482819E+03 F= 0.63367763E+03 E0= 0.66234062E+03 EK= 0.51393E+02 SP= -.10E+02 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322928048326E+03 -0.33670E+00 -0.14417E-01 8680 0.240E+01 0.188E-01 RMM: 2 -0.322943590573E+03 -0.15542E-01 -0.11866E-01 5296 0.742E-01 0.863E-01 RMM: 3 -0.322937748565E+03 0.58420E-02 -0.10770E-02 5929 0.200E-01 0.167E-01 RMM: 4 -0.322937470510E+03 0.27805E-03 -0.66262E-04 4796 0.550E-02 0.106E-01 RMM: 5 -0.322937410836E+03 0.59674E-04 -0.93661E-05 3643 0.249E-02 0.715E-02 RMM: 6 -0.322937384046E+03 0.26791E-04 -0.25873E-05 2661 0.157E-02 0.465E-02 RMM: 7 -0.322937389336E+03 -0.52900E-05 -0.30199E-05 2640 0.159E-02 2855 T= 6378. E= 0.67482676E+03 F= 0.63333160E+03 E0= 0.66200143E+03 EK= 0.51935E+02 SP= -.11E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323208265577E+03 -0.27088E+00 -0.14239E-01 8208 0.240E+01 0.202E-01 RMM: 2 -0.323225602970E+03 -0.17337E-01 -0.12788E-01 5217 0.772E-01 0.941E-01 RMM: 3 -0.323218849875E+03 0.67531E-02 -0.12544E-02 5850 0.213E-01 0.183E-01 RMM: 4 -0.323218507467E+03 0.34241E-03 -0.81842E-04 4792 0.614E-02 0.104E-01 RMM: 5 -0.323218451135E+03 0.56332E-04 -0.11242E-04 3810 0.262E-02 0.768E-02 RMM: 6 -0.323218418779E+03 0.32357E-04 -0.27115E-05 2715 0.161E-02 0.413E-02 RMM: 7 -0.323218424535E+03 -0.57559E-05 -0.21298E-05 2556 0.136E-02 2856 T= 6437. E= 0.67482668E+03 F= 0.63305056E+03 E0= 0.66172315E+03 EK= 0.52420E+02 SP= -.11E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323420466826E+03 -0.20205E+00 -0.13476E-01 8120 0.241E+01 0.196E-01 RMM: 2 -0.323437261741E+03 -0.16795E-01 -0.12035E-01 5167 0.754E-01 0.956E-01 RMM: 3 -0.323430455508E+03 0.68062E-02 -0.12042E-02 5834 0.208E-01 0.185E-01 RMM: 4 -0.323430100169E+03 0.35534E-03 -0.73611E-04 4824 0.578E-02 0.910E-02 RMM: 5 -0.323430062793E+03 0.37377E-04 -0.10364E-04 3764 0.256E-02 0.733E-02 RMM: 6 -0.323430033310E+03 0.29482E-04 -0.26751E-05 2683 0.159E-02 0.416E-02 RMM: 7 -0.323430041763E+03 -0.84523E-05 -0.23484E-05 2557 0.142E-02 2857 T= 6488. E= 0.67482557E+03 F= 0.63283895E+03 E0= 0.66150930E+03 EK= 0.52838E+02 SP= -.11E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323548073116E+03 -0.11804E+00 -0.12662E-01 7736 0.241E+01 0.192E-01 RMM: 2 -0.323562703172E+03 -0.14630E-01 -0.10014E-01 5170 0.699E-01 0.947E-01 RMM: 3 -0.323556258180E+03 0.64450E-02 -0.10045E-02 5726 0.198E-01 0.185E-01 RMM: 4 -0.323555971185E+03 0.28699E-03 -0.71929E-04 4707 0.575E-02 0.904E-02 RMM: 5 -0.323555935415E+03 0.35770E-04 -0.10306E-04 3711 0.258E-02 0.782E-02 RMM: 6 -0.323555900699E+03 0.34716E-04 -0.28683E-05 2805 0.166E-02 0.360E-02 RMM: 7 -0.323555904808E+03 -0.41085E-05 -0.14842E-05 2499 0.117E-02 2858 T= 6529. E= 0.67482330E+03 F= 0.63271308E+03 E0= 0.66137645E+03 EK= 0.53171E+02 SP= -.11E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323557695928E+03 -0.17952E-02 -0.12856E-01 8032 0.241E+01 0.170E-01 RMM: 2 -0.323570560589E+03 -0.12865E-01 -0.10339E-01 5159 0.712E-01 0.750E-01 RMM: 3 -0.323566241552E+03 0.43190E-02 -0.10378E-02 5935 0.192E-01 0.127E-01 RMM: 4 -0.323566045519E+03 0.19603E-03 -0.55230E-04 4692 0.507E-02 0.107E-01 RMM: 5 -0.323565978986E+03 0.66533E-04 -0.82797E-05 3591 0.251E-02 0.645E-02 RMM: 6 -0.323565959923E+03 0.19063E-04 -0.23785E-05 2559 0.148E-02 2859 T= 6556. E= 0.67482102E+03 F= 0.63270303E+03 E0= 0.66135430E+03 EK= 0.53389E+02 SP= -.11E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323419011297E+03 0.14697E+00 -0.12651E-01 7864 0.242E+01 0.205E-01 RMM: 2 -0.323435297776E+03 -0.16286E-01 -0.11035E-01 5138 0.746E-01 0.991E-01 RMM: 3 -0.323428256991E+03 0.70408E-02 -0.11972E-02 5652 0.221E-01 0.217E-01 RMM: 4 -0.323427868392E+03 0.38860E-03 -0.85500E-04 4832 0.607E-02 0.908E-02 RMM: 5 -0.323427825016E+03 0.43376E-04 -0.10487E-04 3812 0.267E-02 0.748E-02 RMM: 6 -0.323427804088E+03 0.20929E-04 -0.24712E-05 2566 0.147E-02 0.592E-02 RMM: 7 -0.323427816141E+03 -0.12053E-04 -0.31144E-05 2649 0.165E-02 2860 T= 6564. E= 0.67481906E+03 F= 0.63284117E+03 E0= 0.66147684E+03 EK= 0.53457E+02 SP= -.12E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323116639893E+03 0.31116E+00 -0.12214E-01 8184 0.243E+01 0.232E-01 RMM: 2 -0.323136045579E+03 -0.19406E-01 -0.10371E-01 5172 0.735E-01 0.126E+00 RMM: 3 -0.323124977223E+03 0.11068E-01 -0.11174E-02 5586 0.224E-01 0.218E-01 RMM: 4 -0.323124647373E+03 0.32985E-03 -0.10482E-03 4675 0.702E-02 0.122E-01 RMM: 5 -0.323124581333E+03 0.66040E-04 -0.15831E-04 3870 0.324E-02 0.899E-02 RMM: 6 -0.323124533288E+03 0.48045E-04 -0.38412E-05 2989 0.190E-02 0.412E-02 RMM: 7 -0.323124538419E+03 -0.51308E-05 -0.20936E-05 2532 0.141E-02 2861 T= 6553. E= 0.67482000E+03 F= 0.63314445E+03 E0= 0.66176149E+03 EK= 0.53360E+02 SP= -.12E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322669324399E+03 0.45521E+00 -0.12495E-01 8168 0.243E+01 0.178E-01 RMM: 2 -0.322684408577E+03 -0.15084E-01 -0.11324E-01 5268 0.736E-01 0.863E-01 RMM: 3 -0.322678637607E+03 0.57710E-02 -0.10514E-02 5679 0.205E-01 0.184E-01 RMM: 4 -0.322678354474E+03 0.28313E-03 -0.70089E-04 4868 0.553E-02 0.963E-02 RMM: 5 -0.322678289593E+03 0.64881E-04 -0.88883E-05 3641 0.249E-02 0.740E-02 RMM: 6 -0.322678268492E+03 0.21100E-04 -0.24873E-05 2574 0.149E-02 0.607E-02 RMM: 7 -0.322678264894E+03 0.35988E-05 -0.38111E-05 2715 0.174E-02 2862 T= 6523. E= 0.67482365E+03 F= 0.63359072E+03 E0= 0.66218749E+03 EK= 0.53120E+02 SP= -.12E+02 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322150557681E+03 0.52771E+00 -0.12570E-01 8408 0.242E+01 0.214E-01 RMM: 2 -0.322167247590E+03 -0.16690E-01 -0.11009E-01 5231 0.740E-01 0.103E+00 RMM: 3 -0.322159377164E+03 0.78704E-02 -0.11112E-02 5757 0.214E-01 0.193E-01 RMM: 4 -0.322159059827E+03 0.31734E-03 -0.77718E-04 4829 0.581E-02 0.100E-01 RMM: 5 -0.322159007040E+03 0.52786E-04 -0.10098E-04 3726 0.262E-02 0.749E-02 RMM: 6 -0.322158978296E+03 0.28744E-04 -0.26570E-05 2720 0.156E-02 0.498E-02 RMM: 7 -0.322158982205E+03 -0.39089E-05 -0.34199E-05 2680 0.170E-02 2863 T= 6485. E= 0.67483057E+03 F= 0.63411001E+03 E0= 0.66268542E+03 EK= 0.52809E+02 SP= -.12E+02 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321672745621E+03 0.48623E+00 -0.12746E-01 8480 0.240E+01 0.216E-01 RMM: 2 -0.321690704401E+03 -0.17959E-01 -0.12175E-01 5210 0.791E-01 0.106E+00 RMM: 3 -0.321682813632E+03 0.78908E-02 -0.12303E-02 5761 0.221E-01 0.199E-01 RMM: 4 -0.321682455781E+03 0.35785E-03 -0.87722E-04 4699 0.654E-02 0.114E-01 RMM: 5 -0.321682381186E+03 0.74595E-04 -0.12861E-04 3837 0.284E-02 0.797E-02 RMM: 6 -0.321682349399E+03 0.31788E-04 -0.28283E-05 2761 0.162E-02 0.513E-02 RMM: 7 -0.321682350025E+03 -0.62671E-06 -0.22158E-05 2544 0.143E-02 2864 T= 6452. E= 0.67483943E+03 F= 0.63458664E+03 E0= 0.66314051E+03 EK= 0.52542E+02 SP= -.12E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321373212778E+03 0.30914E+00 -0.12364E-01 8312 0.239E+01 0.236E-01 RMM: 2 -0.321392997250E+03 -0.19784E-01 -0.13618E-01 5040 0.855E-01 0.108E+00 RMM: 3 -0.321384670712E+03 0.83265E-02 -0.15773E-02 5726 0.251E-01 0.204E-01 RMM: 4 -0.321384285704E+03 0.38501E-03 -0.10722E-03 4988 0.671E-02 0.111E-01 RMM: 5 -0.321384224564E+03 0.61140E-04 -0.13862E-04 3943 0.298E-02 0.889E-02 RMM: 6 -0.321384182031E+03 0.42532E-04 -0.32837E-05 2871 0.170E-02 0.533E-02 RMM: 7 -0.321384186891E+03 -0.48600E-05 -0.31598E-05 2618 0.171E-02 2865 T= 6441. E= 0.67484740E+03 F= 0.63488480E+03 E0= 0.66341632E+03 EK= 0.52453E+02 SP= -.13E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321370488194E+03 0.13694E-01 -0.12409E-01 7816 0.238E+01 0.210E-01 RMM: 2 -0.321388967498E+03 -0.18479E-01 -0.13900E-01 4926 0.875E-01 0.962E-01 RMM: 3 -0.321382431047E+03 0.65365E-02 -0.15896E-02 5897 0.237E-01 0.197E-01 RMM: 4 -0.321381981247E+03 0.44980E-03 -0.89132E-04 4844 0.674E-02 0.110E-01 RMM: 5 -0.321381922173E+03 0.59073E-04 -0.13664E-04 3887 0.297E-02 0.817E-02 RMM: 6 -0.321381885645E+03 0.36528E-04 -0.32294E-05 2859 0.172E-02 0.447E-02 RMM: 7 -0.321381889994E+03 -0.43483E-05 -0.20548E-05 2532 0.140E-02 2866 T= 6466. E= 0.67485147E+03 F= 0.63488710E+03 E0= 0.66339564E+03 EK= 0.52659E+02 SP= -.13E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321724226486E+03 -0.34234E+00 -0.12223E-01 7776 0.239E+01 0.204E-01 RMM: 2 -0.321739128515E+03 -0.14902E-01 -0.10834E-01 5002 0.785E-01 0.916E-01 RMM: 3 -0.321733293853E+03 0.58347E-02 -0.12177E-02 5750 0.218E-01 0.160E-01 RMM: 4 -0.321733037878E+03 0.25598E-03 -0.76149E-04 4777 0.599E-02 0.108E-01 RMM: 5 -0.321732977208E+03 0.60669E-04 -0.11281E-04 3756 0.274E-02 0.767E-02 RMM: 6 -0.321732942853E+03 0.34355E-04 -0.28794E-05 2705 0.164E-02 0.383E-02 RMM: 7 -0.321732945899E+03 -0.30463E-05 -0.19113E-05 2513 0.135E-02 2867 T= 6535. E= 0.67485045E+03 F= 0.63453604E+03 E0= 0.66302036E+03 EK= 0.53216E+02 SP= -.13E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322413108004E+03 -0.68017E+00 -0.12393E-01 7864 0.242E+01 0.209E-01 RMM: 2 -0.322427637542E+03 -0.14530E-01 -0.98336E-02 5137 0.752E-01 0.978E-01 RMM: 3 -0.322421184805E+03 0.64527E-02 -0.10514E-02 5756 0.202E-01 0.191E-01 RMM: 4 -0.322420878934E+03 0.30587E-03 -0.73246E-04 4671 0.608E-02 0.111E-01 RMM: 5 -0.322420809526E+03 0.69408E-04 -0.11894E-04 3760 0.277E-02 0.796E-02 RMM: 6 -0.322420774230E+03 0.35296E-04 -0.30648E-05 2823 0.171E-02 0.404E-02 RMM: 7 -0.322420775527E+03 -0.12968E-05 -0.18644E-05 2521 0.129E-02 2868 T= 6644. E= 0.67484558E+03 F= 0.63384821E+03 E0= 0.66230797E+03 EK= 0.54107E+02 SP= -.13E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323363471157E+03 -0.94270E+00 -0.12954E-01 8008 0.245E+01 0.219E-01 RMM: 2 -0.323378848040E+03 -0.15377E-01 -0.11235E-01 5182 0.795E-01 0.945E-01 RMM: 3 -0.323372679703E+03 0.61683E-02 -0.11972E-02 5822 0.214E-01 0.185E-01 RMM: 4 -0.323372361627E+03 0.31808E-03 -0.80411E-04 4711 0.633E-02 0.127E-01 RMM: 5 -0.323372260564E+03 0.10106E-03 -0.12966E-04 3828 0.299E-02 0.775E-02 RMM: 6 -0.323372231187E+03 0.29377E-04 -0.29801E-05 2744 0.167E-02 0.503E-02 RMM: 7 -0.323372227098E+03 0.40884E-05 -0.25628E-05 2568 0.151E-02 2869 T= 6786. E= 0.67483890E+03 F= 0.63289676E+03 E0= 0.66133206E+03 EK= 0.55258E+02 SP= -.13E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324478542351E+03 -0.11063E+01 -0.13276E-01 8352 0.248E+01 0.225E-01 RMM: 2 -0.324494959809E+03 -0.16417E-01 -0.10969E-01 5253 0.782E-01 0.104E+00 RMM: 3 -0.324487538773E+03 0.74210E-02 -0.11243E-02 5787 0.211E-01 0.212E-01 RMM: 4 -0.324487181768E+03 0.35700E-03 -0.84713E-04 4650 0.652E-02 0.128E-01 RMM: 5 -0.324487078133E+03 0.10364E-03 -0.13713E-04 3849 0.300E-02 0.882E-02 RMM: 6 -0.324487040855E+03 0.37278E-04 -0.30376E-05 2775 0.170E-02 0.557E-02 RMM: 7 -0.324487036670E+03 0.41853E-05 -0.26980E-05 2582 0.153E-02 2870 T= 6946. E= 0.67483176E+03 F= 0.63178195E+03 E0= 0.66019492E+03 EK= 0.56566E+02 SP= -.14E+02 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325653139510E+03 -0.11661E+01 -0.13544E-01 8352 0.252E+01 0.205E-01 RMM: 2 -0.325667186905E+03 -0.14047E-01 -0.11012E-01 5264 0.770E-01 0.851E-01 RMM: 3 -0.325662201830E+03 0.49851E-02 -0.11054E-02 5890 0.205E-01 0.174E-01 RMM: 4 -0.325661944161E+03 0.25767E-03 -0.70790E-04 4678 0.595E-02 0.136E-01 RMM: 5 -0.325661818770E+03 0.12539E-03 -0.12406E-04 3809 0.292E-02 0.773E-02 RMM: 6 -0.325661795211E+03 0.23559E-04 -0.28879E-05 2744 0.164E-02 0.592E-02 RMM: 7 -0.325661784868E+03 0.10343E-04 -0.32573E-05 2629 0.163E-02 2871 T= 7112. E= 0.67482491E+03 F= 0.63060720E+03 E0= 0.65900154E+03 EK= 0.57919E+02 SP= -.14E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326790637703E+03 -0.11288E+01 -0.13793E-01 8056 0.255E+01 0.205E-01 RMM: 2 -0.326807094755E+03 -0.16457E-01 -0.12260E-01 5172 0.811E-01 0.935E-01 RMM: 3 -0.326801070664E+03 0.60241E-02 -0.12928E-02 5888 0.217E-01 0.195E-01 RMM: 4 -0.326800731733E+03 0.33893E-03 -0.78996E-04 4676 0.644E-02 0.130E-01 RMM: 5 -0.326800622486E+03 0.10925E-03 -0.13765E-04 3833 0.304E-02 0.852E-02 RMM: 6 -0.326800589585E+03 0.32901E-04 -0.32446E-05 2880 0.173E-02 0.569E-02 RMM: 7 -0.326800584685E+03 0.49004E-05 -0.30947E-05 2627 0.158E-02 2872 T= 7272. E= 0.67481787E+03 F= 0.62946840E+03 E0= 0.65784988E+03 EK= 0.59215E+02 SP= -.14E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327803642631E+03 -0.10031E+01 -0.14341E-01 8000 0.257E+01 0.185E-01 RMM: 2 -0.327819192858E+03 -0.15550E-01 -0.12711E-01 5122 0.814E-01 0.804E-01 RMM: 3 -0.327814543972E+03 0.46489E-02 -0.13309E-02 5889 0.217E-01 0.175E-01 RMM: 4 -0.327814241635E+03 0.30234E-03 -0.71441E-04 4733 0.605E-02 0.122E-01 RMM: 5 -0.327814144339E+03 0.97296E-04 -0.12453E-04 3784 0.295E-02 0.781E-02 RMM: 6 -0.327814116814E+03 0.27526E-04 -0.33516E-05 2925 0.172E-02 0.543E-02 RMM: 7 -0.327814111677E+03 0.51361E-05 -0.34058E-05 2639 0.168E-02 2873 T= 7412. E= 0.67481184E+03 F= 0.62845488E+03 E0= 0.65683066E+03 EK= 0.60357E+02 SP= -.14E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328615564458E+03 -0.80145E+00 -0.14565E-01 8048 0.259E+01 0.190E-01 RMM: 2 -0.328631451533E+03 -0.15887E-01 -0.13237E-01 5043 0.840E-01 0.788E-01 RMM: 3 -0.328626891336E+03 0.45602E-02 -0.13907E-02 5999 0.221E-01 0.156E-01 RMM: 4 -0.328626606376E+03 0.28496E-03 -0.70948E-04 4687 0.629E-02 0.136E-01 RMM: 5 -0.328626493920E+03 0.11246E-03 -0.13237E-04 3816 0.316E-02 0.787E-02 RMM: 6 -0.328626462705E+03 0.31216E-04 -0.34060E-05 2903 0.174E-02 0.493E-02 RMM: 7 -0.328626462169E+03 0.53507E-06 -0.28658E-05 2598 0.156E-02 2874 T= 7523. E= 0.67480728E+03 F= 0.62764253E+03 E0= 0.65602004E+03 EK= 0.61261E+02 SP= -.14E+02 SK= 0.84E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329170659405E+03 -0.54420E+00 -0.14260E-01 8040 0.261E+01 0.189E-01 RMM: 2 -0.329186499564E+03 -0.15840E-01 -0.12785E-01 5154 0.807E-01 0.811E-01 RMM: 3 -0.329181360771E+03 0.51388E-02 -0.11838E-02 5876 0.214E-01 0.179E-01 RMM: 4 -0.329181100650E+03 0.26012E-03 -0.70168E-04 4686 0.610E-02 0.129E-01 RMM: 5 -0.329180997436E+03 0.10321E-03 -0.12945E-04 3832 0.307E-02 0.796E-02 RMM: 6 -0.329180964133E+03 0.33303E-04 -0.37036E-05 2997 0.181E-02 0.488E-02 RMM: 7 -0.329180964303E+03 -0.16979E-06 -0.33956E-05 2631 0.168E-02 2875 T= 7597. E= 0.67480460E+03 F= 0.62708802E+03 E0= 0.65547502E+03 EK= 0.61865E+02 SP= -.14E+02 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329437003500E+03 -0.25604E+00 -0.14535E-01 8104 0.261E+01 0.197E-01 RMM: 2 -0.329453016391E+03 -0.16013E-01 -0.13231E-01 5146 0.826E-01 0.795E-01 RMM: 3 -0.329447974445E+03 0.50419E-02 -0.12309E-02 5981 0.216E-01 0.148E-01 RMM: 4 -0.329447772171E+03 0.20227E-03 -0.70770E-04 4674 0.621E-02 0.143E-01 RMM: 5 -0.329447641925E+03 0.13025E-03 -0.13508E-04 3845 0.317E-02 0.721E-02 RMM: 6 -0.329447614864E+03 0.27061E-04 -0.32144E-05 2859 0.170E-02 0.460E-02 RMM: 7 -0.329447615539E+03 -0.67522E-06 -0.29437E-05 2581 0.161E-02 2876 T= 7630. E= 0.67480406E+03 F= 0.62682137E+03 E0= 0.65522380E+03 EK= 0.62135E+02 SP= -.14E+02 SK= 0.70E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329416569859E+03 0.31045E-01 -0.14721E-01 8136 0.261E+01 0.208E-01 RMM: 2 -0.329434206238E+03 -0.17636E-01 -0.13709E-01 5210 0.834E-01 0.895E-01 RMM: 3 -0.329427838062E+03 0.63682E-02 -0.12194E-02 5954 0.217E-01 0.189E-01 RMM: 4 -0.329427554146E+03 0.28392E-03 -0.79788E-04 4682 0.649E-02 0.137E-01 RMM: 5 -0.329427452033E+03 0.10211E-03 -0.14060E-04 3851 0.316E-02 0.878E-02 RMM: 6 -0.329427407582E+03 0.44451E-04 -0.41001E-05 3063 0.193E-02 0.435E-02 RMM: 7 -0.329427412524E+03 -0.49413E-05 -0.28567E-05 2598 0.155E-02 2877 T= 7622. E= 0.67480583E+03 F= 0.62684158E+03 E0= 0.65526439E+03 EK= 0.62069E+02 SP= -.14E+02 SK= 0.77E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329139664236E+03 0.28774E+00 -0.14725E-01 8104 0.260E+01 0.211E-01 RMM: 2 -0.329158587304E+03 -0.18923E-01 -0.14750E-01 5147 0.864E-01 0.921E-01 RMM: 3 -0.329151850179E+03 0.67371E-02 -0.13645E-02 5968 0.230E-01 0.166E-01 RMM: 4 -0.329151601729E+03 0.24845E-03 -0.82097E-04 4711 0.655E-02 0.140E-01 RMM: 5 -0.329151486220E+03 0.11551E-03 -0.14053E-04 3852 0.318E-02 0.782E-02 RMM: 6 -0.329151451051E+03 0.35170E-04 -0.35111E-05 2947 0.177E-02 0.443E-02 RMM: 7 -0.329151456599E+03 -0.55485E-05 -0.27984E-05 2570 0.159E-02 2878 T= 7577. E= 0.67480973E+03 F= 0.62711753E+03 E0= 0.65556271E+03 EK= 0.61700E+02 SP= -.14E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328664176288E+03 0.48727E+00 -0.14855E-01 8192 0.259E+01 0.199E-01 RMM: 2 -0.328681689369E+03 -0.17513E-01 -0.14587E-01 5217 0.848E-01 0.811E-01 RMM: 3 -0.328676135435E+03 0.55539E-02 -0.12624E-02 6017 0.221E-01 0.157E-01 RMM: 4 -0.328675929374E+03 0.20606E-03 -0.73687E-04 4705 0.613E-02 0.143E-01 RMM: 5 -0.328675813014E+03 0.11636E-03 -0.12987E-04 3801 0.311E-02 0.801E-02 RMM: 6 -0.328675777233E+03 0.35782E-04 -0.35509E-05 2960 0.178E-02 0.445E-02 RMM: 7 -0.328675782527E+03 -0.52937E-05 -0.27190E-05 2566 0.156E-02 2879 T= 7501. E= 0.67481478E+03 F= 0.62759321E+03 E0= 0.65606112E+03 EK= 0.61085E+02 SP= -.14E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328058851195E+03 0.61693E+00 -0.15112E-01 8344 0.257E+01 0.204E-01 RMM: 2 -0.328077003691E+03 -0.18152E-01 -0.14513E-01 5281 0.848E-01 0.887E-01 RMM: 3 -0.328070748478E+03 0.62552E-02 -0.12477E-02 6027 0.218E-01 0.162E-01 RMM: 4 -0.328070498515E+03 0.24996E-03 -0.72674E-04 4756 0.609E-02 0.128E-01 RMM: 5 -0.328070408970E+03 0.89545E-04 -0.12053E-04 3798 0.300E-02 0.778E-02 RMM: 6 -0.328070374006E+03 0.34964E-04 -0.31616E-05 2864 0.170E-02 0.458E-02 RMM: 7 -0.328070380705E+03 -0.66987E-05 -0.29496E-05 2580 0.163E-02 2880 T= 7405. E= 0.67482025E+03 F= 0.62819861E+03 E0= 0.65668723E+03 EK= 0.60299E+02 SP= -.14E+02 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327399382273E+03 0.67099E+00 -0.14932E-01 8384 0.255E+01 0.184E-01 RMM: 2 -0.327415916012E+03 -0.16534E-01 -0.14387E-01 5203 0.847E-01 0.738E-01 RMM: 3 -0.327411224202E+03 0.46918E-02 -0.12444E-02 6075 0.221E-01 0.126E-01 RMM: 4 -0.327411074074E+03 0.15013E-03 -0.63186E-04 4778 0.567E-02 0.135E-01 RMM: 5 -0.327410959931E+03 0.11414E-03 -0.10304E-04 3670 0.288E-02 0.666E-02 RMM: 6 -0.327410938077E+03 0.21854E-04 -0.27992E-05 2648 0.158E-02 0.464E-02 RMM: 7 -0.327410939053E+03 -0.97651E-06 -0.39194E-05 2730 0.185E-02 2881 T= 7297. E= 0.67482568E+03 F= 0.62885805E+03 E0= 0.65736395E+03 EK= 0.59422E+02 SP= -.14E+02 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326761071450E+03 0.64987E+00 -0.14550E-01 8344 0.253E+01 0.181E-01 RMM: 2 -0.326777456797E+03 -0.16385E-01 -0.13839E-01 5202 0.834E-01 0.770E-01 RMM: 3 -0.326772430040E+03 0.50268E-02 -0.11748E-02 6113 0.217E-01 0.156E-01 RMM: 4 -0.326772218386E+03 0.21165E-03 -0.63106E-04 4710 0.583E-02 0.124E-01 RMM: 5 -0.326772122068E+03 0.96318E-04 -0.10275E-04 3642 0.285E-02 0.700E-02 RMM: 6 -0.326772098165E+03 0.23903E-04 -0.27580E-05 2640 0.160E-02 0.484E-02 RMM: 7 -0.326772101634E+03 -0.34691E-05 -0.32257E-05 2618 0.169E-02 2882 T= 7188. E= 0.67483016E+03 F= 0.62949689E+03 E0= 0.65801588E+03 EK= 0.58534E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326210068464E+03 0.56203E+00 -0.14550E-01 8088 0.252E+01 0.192E-01 RMM: 2 -0.326226442579E+03 -0.16374E-01 -0.13485E-01 5240 0.825E-01 0.795E-01 RMM: 3 -0.326221129777E+03 0.53128E-02 -0.11786E-02 6019 0.220E-01 0.167E-01 RMM: 4 -0.326220897395E+03 0.23238E-03 -0.65773E-04 4745 0.580E-02 0.114E-01 RMM: 5 -0.326220815145E+03 0.82250E-04 -0.95233E-05 3607 0.267E-02 0.701E-02 RMM: 6 -0.326220792933E+03 0.22212E-04 -0.26473E-05 2596 0.158E-02 0.485E-02 RMM: 7 -0.326220799114E+03 -0.61810E-05 -0.34663E-05 2657 0.170E-02 2883 T= 7086. E= 0.67483413E+03 F= 0.63004819E+03 E0= 0.65857596E+03 EK= 0.57707E+02 SP= -.13E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325805836035E+03 0.41496E+00 -0.14252E-01 7960 0.250E+01 0.193E-01 RMM: 2 -0.325821961644E+03 -0.16126E-01 -0.13121E-01 5155 0.824E-01 0.806E-01 RMM: 3 -0.325816795028E+03 0.51666E-02 -0.12098E-02 5953 0.220E-01 0.171E-01 RMM: 4 -0.325816551943E+03 0.24308E-03 -0.70699E-04 4699 0.618E-02 0.130E-01 RMM: 5 -0.325816450680E+03 0.10126E-03 -0.11916E-04 3750 0.300E-02 0.747E-02 RMM: 6 -0.325816420479E+03 0.30202E-04 -0.29954E-05 2779 0.169E-02 0.460E-02 RMM: 7 -0.325816423294E+03 -0.28149E-05 -0.26747E-05 2563 0.157E-02 2884 T= 7000. E= 0.67483702E+03 F= 0.63045257E+03 E0= 0.65898588E+03 EK= 0.57006E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325591071504E+03 0.22535E+00 -0.13607E-01 7664 0.249E+01 0.261E-01 RMM: 2 -0.325612545496E+03 -0.21474E-01 -0.12336E-01 5089 0.830E-01 0.126E+00 RMM: 3 -0.325601209611E+03 0.11336E-01 -0.13231E-02 5612 0.250E-01 0.281E-01 RMM: 4 -0.325600626392E+03 0.58322E-03 -0.11637E-03 4759 0.756E-02 0.976E-02 RMM: 5 -0.325600596906E+03 0.29486E-04 -0.16215E-04 3888 0.320E-02 0.964E-02 RMM: 6 -0.325600541282E+03 0.55624E-04 -0.39418E-05 3027 0.190E-02 0.483E-02 RMM: 7 -0.325600543532E+03 -0.22499E-05 -0.23017E-05 2548 0.148E-02 2885 T= 6935. E= 0.67483807E+03 F= 0.63066845E+03 E0= 0.65920537E+03 EK= 0.56474E+02 SP= -.12E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325576475807E+03 0.24065E-01 -0.13026E-01 7696 0.249E+01 0.244E-01 RMM: 2 -0.325595922240E+03 -0.19446E-01 -0.11292E-01 5014 0.797E-01 0.121E+00 RMM: 3 -0.325585785002E+03 0.10137E-01 -0.12579E-02 5518 0.246E-01 0.220E-01 RMM: 4 -0.325585447378E+03 0.33762E-03 -0.10448E-03 4720 0.694E-02 0.115E-01 RMM: 5 -0.325585394325E+03 0.53053E-04 -0.15401E-04 3888 0.333E-02 0.893E-02 RMM: 6 -0.325585342668E+03 0.51657E-04 -0.41375E-05 3049 0.192E-02 0.435E-02 RMM: 7 -0.325585346857E+03 -0.41892E-05 -0.25273E-05 2544 0.159E-02 2886 T= 6892. E= 0.67483710E+03 F= 0.63068364E+03 E0= 0.65922355E+03 EK= 0.56126E+02 SP= -.12E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325741858832E+03 -0.15652E+00 -0.12900E-01 7504 0.249E+01 0.279E-01 RMM: 2 -0.325764034603E+03 -0.22176E-01 -0.11177E-01 4994 0.819E-01 0.138E+00 RMM: 3 -0.325751036080E+03 0.12999E-01 -0.13679E-02 5448 0.263E-01 0.291E-01 RMM: 4 -0.325750429588E+03 0.60649E-03 -0.13368E-03 4779 0.791E-02 0.107E-01 RMM: 5 -0.325750414008E+03 0.15580E-04 -0.20312E-04 3903 0.365E-02 0.109E-01 RMM: 6 -0.325750333611E+03 0.80397E-04 -0.55483E-05 3270 0.219E-02 0.423E-02 RMM: 7 -0.325750332890E+03 0.72119E-06 -0.18647E-05 2520 0.134E-02 2887 T= 6869. E= 0.67483371E+03 F= 0.63051866E+03 E0= 0.65906305E+03 EK= 0.55941E+02 SP= -.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326032352583E+03 -0.28202E+00 -0.13013E-01 7752 0.249E+01 0.208E-01 RMM: 2 -0.326047905487E+03 -0.15553E-01 -0.10685E-01 4921 0.781E-01 0.967E-01 RMM: 3 -0.326041347037E+03 0.65584E-02 -0.11810E-02 5565 0.230E-01 0.180E-01 RMM: 4 -0.326041094347E+03 0.25269E-03 -0.82716E-04 4753 0.621E-02 0.110E-01 RMM: 5 -0.326041033572E+03 0.60775E-04 -0.12339E-04 3848 0.313E-02 0.765E-02 RMM: 6 -0.326040998787E+03 0.34785E-04 -0.32262E-05 2831 0.169E-02 0.448E-02 RMM: 7 -0.326041000010E+03 -0.12227E-05 -0.29242E-05 2554 0.168E-02 2888 T= 6860. E= 0.67482866E+03 F= 0.63022799E+03 E0= 0.65877779E+03 EK= 0.55866E+02 SP= -.12E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326372208205E+03 -0.33121E+00 -0.13373E-01 7696 0.250E+01 0.209E-01 RMM: 2 -0.326386865739E+03 -0.14658E-01 -0.10132E-01 5032 0.760E-01 0.943E-01 RMM: 3 -0.326380697554E+03 0.61682E-02 -0.10890E-02 5680 0.215E-01 0.205E-01 RMM: 4 -0.326380352648E+03 0.34491E-03 -0.79997E-04 4667 0.645E-02 0.114E-01 RMM: 5 -0.326380298657E+03 0.53992E-04 -0.13343E-04 3854 0.316E-02 0.887E-02 RMM: 6 -0.326380250132E+03 0.48525E-04 -0.35217E-05 2941 0.181E-02 0.434E-02 RMM: 7 -0.326380251308E+03 -0.11765E-05 -0.18900E-05 2518 0.134E-02 2889 T= 6855. E= 0.67482291E+03 F= 0.62988874E+03 E0= 0.65844499E+03 EK= 0.55825E+02 SP= -.11E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326675627959E+03 -0.29538E+00 -0.13635E-01 7960 0.251E+01 0.180E-01 RMM: 2 -0.326688853063E+03 -0.13225E-01 -0.10226E-01 5123 0.737E-01 0.799E-01 RMM: 3 -0.326684107093E+03 0.47460E-02 -0.98432E-03 5810 0.199E-01 0.160E-01 RMM: 4 -0.326683875204E+03 0.23189E-03 -0.59335E-04 4754 0.547E-02 0.110E-01 RMM: 5 -0.326683798405E+03 0.76798E-04 -0.94967E-05 3684 0.276E-02 0.652E-02 RMM: 6 -0.326683781000E+03 0.17405E-04 -0.24400E-05 2569 0.148E-02 2890 T= 6844. E= 0.67481849E+03 F= 0.62958521E+03 E0= 0.65814626E+03 EK= 0.55735E+02 SP= -.11E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326871311313E+03 -0.18751E+00 -0.13858E-01 7680 0.251E+01 0.234E-01 RMM: 2 -0.326891007470E+03 -0.19696E-01 -0.10241E-01 5170 0.735E-01 0.128E+00 RMM: 3 -0.326879816135E+03 0.11191E-01 -0.11435E-02 5462 0.233E-01 0.244E-01 RMM: 4 -0.326879388840E+03 0.42729E-03 -0.10322E-03 4749 0.669E-02 0.101E-01 RMM: 5 -0.326879332781E+03 0.56060E-04 -0.12673E-04 3852 0.293E-02 0.812E-02 RMM: 6 -0.326879301700E+03 0.31080E-04 -0.26837E-05 2603 0.155E-02 0.627E-02 RMM: 7 -0.326879307403E+03 -0.57029E-05 -0.30395E-05 2678 0.167E-02 2891 T= 6818. E= 0.67481535E+03 F= 0.62938968E+03 E0= 0.65795259E+03 EK= 0.55526E+02 SP= -.10E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326913460780E+03 -0.34159E-01 -0.14322E-01 7568 0.252E+01 0.259E-01 RMM: 2 -0.326934879147E+03 -0.21418E-01 -0.10403E-01 5124 0.753E-01 0.138E+00 RMM: 3 -0.326921690141E+03 0.13189E-01 -0.12267E-02 5414 0.247E-01 0.253E-01 RMM: 4 -0.326921281792E+03 0.40835E-03 -0.12541E-03 4745 0.756E-02 0.121E-01 RMM: 5 -0.326921248630E+03 0.33162E-04 -0.19556E-04 3885 0.359E-02 0.116E-01 RMM: 6 -0.326921162420E+03 0.86209E-04 -0.56636E-05 3289 0.225E-02 0.410E-02 RMM: 7 -0.326921164756E+03 -0.23358E-05 -0.20165E-05 2532 0.139E-02 2892 T= 6773. E= 0.67481457E+03 F= 0.62934782E+03 E0= 0.65790761E+03 EK= 0.55155E+02 SP= -.10E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326791009640E+03 0.13015E+00 -0.14273E-01 7736 0.251E+01 0.228E-01 RMM: 2 -0.326808795158E+03 -0.17786E-01 -0.10622E-01 5205 0.740E-01 0.113E+00 RMM: 3 -0.326799639800E+03 0.91554E-02 -0.11275E-02 5570 0.227E-01 0.212E-01 RMM: 4 -0.326799310256E+03 0.32954E-03 -0.93718E-04 4748 0.643E-02 0.107E-01 RMM: 5 -0.326799243874E+03 0.66382E-04 -0.12613E-04 3833 0.290E-02 0.847E-02 RMM: 6 -0.326799203270E+03 0.40604E-04 -0.31279E-05 2758 0.168E-02 0.569E-02 RMM: 7 -0.326799206418E+03 -0.31482E-05 -0.30806E-05 2625 0.163E-02 2893 T= 6707. E= 0.67481606E+03 F= 0.62946978E+03 E0= 0.65802113E+03 EK= 0.54615E+02 SP= -.96E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326527669757E+03 0.27153E+00 -0.13791E-01 7784 0.249E+01 0.251E-01 RMM: 2 -0.326547936895E+03 -0.20267E-01 -0.11063E-01 5110 0.768E-01 0.128E+00 RMM: 3 -0.326536607213E+03 0.11330E-01 -0.12229E-02 5538 0.239E-01 0.246E-01 RMM: 4 -0.326536149133E+03 0.45808E-03 -0.10781E-03 4789 0.684E-02 0.942E-02 RMM: 5 -0.326536127183E+03 0.21950E-04 -0.15097E-04 3872 0.320E-02 0.926E-02 RMM: 6 -0.326536073004E+03 0.54179E-04 -0.39439E-05 3019 0.189E-02 0.441E-02 RMM: 7 -0.326536074719E+03 -0.17149E-05 -0.20064E-05 2520 0.142E-02 2894 T= 6623. E= 0.67481918E+03 F= 0.62973291E+03 E0= 0.65827128E+03 EK= 0.53932E+02 SP= -.92E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326168546382E+03 0.36753E+00 -0.14225E-01 7848 0.247E+01 0.245E-01 RMM: 2 -0.326189345846E+03 -0.20799E-01 -0.11823E-01 5061 0.790E-01 0.125E+00 RMM: 3 -0.326178310908E+03 0.11035E-01 -0.13006E-02 5571 0.241E-01 0.240E-01 RMM: 4 -0.326177859862E+03 0.45105E-03 -0.11374E-03 4752 0.723E-02 0.106E-01 RMM: 5 -0.326177813667E+03 0.46195E-04 -0.16192E-04 3900 0.318E-02 0.928E-02 RMM: 6 -0.326177757999E+03 0.55668E-04 -0.38801E-05 2989 0.188E-02 0.451E-02 RMM: 7 -0.326177758066E+03 -0.67492E-07 -0.19371E-05 2516 0.135E-02 2895 T= 6527. E= 0.67482276E+03 F= 0.63009123E+03 E0= 0.65861214E+03 EK= 0.53155E+02 SP= -.88E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325765781377E+03 0.41198E+00 -0.14134E-01 7808 0.245E+01 0.274E-01 RMM: 2 -0.325791137194E+03 -0.25356E-01 -0.12315E-01 5016 0.807E-01 0.149E+00 RMM: 3 -0.325775824206E+03 0.15313E-01 -0.14313E-02 5433 0.265E-01 0.290E-01 RMM: 4 -0.325775209034E+03 0.61517E-03 -0.13908E-03 4866 0.764E-02 0.959E-02 RMM: 5 -0.325775181854E+03 0.27181E-04 -0.19195E-04 3911 0.350E-02 0.921E-02 RMM: 6 -0.325775123939E+03 0.57914E-04 -0.44419E-05 3080 0.196E-02 0.449E-02 RMM: 7 -0.325775123634E+03 0.30487E-06 -0.22772E-05 2538 0.151E-02 2896 T= 6427. E= 0.67482576E+03 F= 0.63049387E+03 E0= 0.65899361E+03 EK= 0.52338E+02 SP= -.84E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325363341365E+03 0.41178E+00 -0.13292E-01 7880 0.242E+01 0.239E-01 RMM: 2 -0.325385952760E+03 -0.22611E-01 -0.12245E-01 4978 0.797E-01 0.133E+00 RMM: 3 -0.325373488333E+03 0.12464E-01 -0.13677E-02 5530 0.249E-01 0.239E-01 RMM: 4 -0.325373036924E+03 0.45141E-03 -0.11597E-03 4846 0.712E-02 0.945E-02 RMM: 5 -0.325373008154E+03 0.28770E-04 -0.16242E-04 3910 0.318E-02 0.939E-02 RMM: 6 -0.325372951515E+03 0.56639E-04 -0.38260E-05 2981 0.186E-02 0.435E-02 RMM: 7 -0.325372949235E+03 0.22792E-05 -0.16269E-05 2502 0.126E-02 2897 T= 6328. E= 0.67482855E+03 F= 0.63089604E+03 E0= 0.65937173E+03 EK= 0.51531E+02 SP= -.79E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325003876150E+03 0.36908E+00 -0.12938E-01 7832 0.240E+01 0.267E-01 RMM: 2 -0.325026647376E+03 -0.22771E-01 -0.11948E-01 5054 0.791E-01 0.138E+00 RMM: 3 -0.325013589199E+03 0.13058E-01 -0.13715E-02 5458 0.258E-01 0.288E-01 RMM: 4 -0.325012983799E+03 0.60540E-03 -0.12719E-03 4821 0.729E-02 0.911E-02 RMM: 5 -0.325012948306E+03 0.35493E-04 -0.16248E-04 3905 0.323E-02 0.863E-02 RMM: 6 -0.325012900368E+03 0.47938E-04 -0.33769E-05 2892 0.173E-02 0.503E-02 RMM: 7 -0.325012898093E+03 0.22750E-05 -0.20130E-05 2521 0.142E-02 2898 T= 6236. E= 0.67483161E+03 F= 0.63125609E+03 E0= 0.65970488E+03 EK= 0.50779E+02 SP= -.75E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324733404784E+03 0.27950E+00 -0.12424E-01 7952 0.238E+01 0.293E-01 RMM: 2 -0.324761402140E+03 -0.27997E-01 -0.12168E-01 5090 0.804E-01 0.161E+00 RMM: 3 -0.324743077693E+03 0.18324E-01 -0.14956E-02 5425 0.277E-01 0.302E-01 RMM: 4 -0.324742426842E+03 0.65085E-03 -0.14977E-03 4918 0.776E-02 0.973E-02 RMM: 5 -0.324742396230E+03 0.30611E-04 -0.18721E-04 3891 0.348E-02 0.993E-02 RMM: 6 -0.324742334121E+03 0.62109E-04 -0.42699E-05 3048 0.196E-02 0.521E-02 RMM: 7 -0.324742332143E+03 0.19775E-05 -0.18950E-05 2517 0.137E-02 2899 T= 6156. E= 0.67483556E+03 F= 0.63152666E+03 E0= 0.65994647E+03 EK= 0.50132E+02 SP= -.71E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324611122710E+03 0.13121E+00 -0.12334E-01 8008 0.235E+01 0.321E-01 RMM: 2 -0.324638750822E+03 -0.27628E-01 -0.12719E-01 5111 0.832E-01 0.161E+00 RMM: 3 -0.324621172024E+03 0.17579E-01 -0.16369E-02 5422 0.292E-01 0.327E-01 RMM: 4 -0.324620394213E+03 0.77781E-03 -0.16428E-03 4851 0.825E-02 0.108E-01 RMM: 5 -0.324620350174E+03 0.44040E-04 -0.20192E-04 3901 0.355E-02 0.101E-01 RMM: 6 -0.324620284463E+03 0.65711E-04 -0.43947E-05 3073 0.197E-02 0.541E-02 RMM: 7 -0.324620283890E+03 0.57303E-06 -0.21830E-05 2543 0.145E-02 2900 T= 6097. E= 0.67483956E+03 F= 0.63164871E+03 E0= 0.66003758E+03 EK= 0.49650E+02 SP= -.67E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324694508791E+03 -0.74224E-01 -0.11918E-01 7816 0.233E+01 0.354E-01 RMM: 2 -0.324731677511E+03 -0.37169E-01 -0.12721E-01 5181 0.833E-01 0.200E+00 RMM: 3 -0.324704245027E+03 0.27432E-01 -0.17026E-02 5395 0.306E-01 0.363E-01 RMM: 4 -0.324703259843E+03 0.98518E-03 -0.18671E-03 4904 0.892E-02 0.107E-01 RMM: 5 -0.324703231565E+03 0.28278E-04 -0.24517E-04 3913 0.379E-02 0.106E-01 RMM: 6 -0.324703158498E+03 0.73067E-04 -0.51849E-05 3193 0.214E-02 0.520E-02 RMM: 7 -0.324703158374E+03 0.12393E-06 -0.20423E-05 2537 0.138E-02 2901 T= 6065. E= 0.67484143E+03 F= 0.63156583E+03 E0= 0.65992294E+03 EK= 0.49389E+02 SP= -.64E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325004056912E+03 -0.30090E+00 -0.12057E-01 8192 0.232E+01 0.287E-01 RMM: 2 -0.325028381364E+03 -0.24324E-01 -0.12404E-01 5115 0.799E-01 0.144E+00 RMM: 3 -0.325014128549E+03 0.14253E-01 -0.14594E-02 5440 0.274E-01 0.303E-01 RMM: 4 -0.325013490613E+03 0.63794E-03 -0.14453E-03 4819 0.769E-02 0.102E-01 RMM: 5 -0.325013453434E+03 0.37179E-04 -0.18479E-04 3893 0.347E-02 0.101E-01 RMM: 6 -0.325013388711E+03 0.64723E-04 -0.43768E-05 3083 0.197E-02 0.479E-02 RMM: 7 -0.325013389152E+03 -0.44182E-06 -0.23790E-05 2571 0.148E-02 2902 T= 6062. E= 0.67483926E+03 F= 0.63125560E+03 E0= 0.65958043E+03 EK= 0.49367E+02 SP= -.60E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325506435952E+03 -0.49305E+00 -0.12512E-01 8744 0.232E+01 0.247E-01 RMM: 2 -0.325528561613E+03 -0.22126E-01 -0.12025E-01 5332 0.757E-01 0.130E+00 RMM: 3 -0.325516108369E+03 0.12453E-01 -0.11227E-02 5496 0.232E-01 0.252E-01 RMM: 4 -0.325515627456E+03 0.48091E-03 -0.11384E-03 4751 0.709E-02 0.983E-02 RMM: 5 -0.325515598375E+03 0.29081E-04 -0.15307E-04 3899 0.306E-02 0.941E-02 RMM: 6 -0.325515545535E+03 0.52840E-04 -0.32383E-05 2895 0.174E-02 0.495E-02 RMM: 7 -0.325515548030E+03 -0.24951E-05 -0.19182E-05 2539 0.131E-02 2903 T= 6084. E= 0.67483328E+03 F= 0.63075344E+03 E0= 0.65904603E+03 EK= 0.49548E+02 SP= -.57E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326112512525E+03 -0.59697E+00 -0.14007E-01 9016 0.233E+01 0.224E-01 RMM: 2 -0.326131846751E+03 -0.19334E-01 -0.13573E-01 5383 0.791E-01 0.103E+00 RMM: 3 -0.326123696640E+03 0.81501E-02 -0.11500E-02 5538 0.228E-01 0.198E-01 RMM: 4 -0.326123405863E+03 0.29078E-03 -0.99774E-04 4909 0.632E-02 0.109E-01 RMM: 5 -0.326123338284E+03 0.67579E-04 -0.11691E-04 3844 0.276E-02 0.841E-02 RMM: 6 -0.326123305331E+03 0.32953E-04 -0.27904E-05 2719 0.159E-02 0.565E-02 RMM: 7 -0.326123307728E+03 -0.23976E-05 -0.28170E-05 2616 0.154E-02 2904 T= 6121. E= 0.67482595E+03 F= 0.63014568E+03 E0= 0.65840677E+03 EK= 0.49847E+02 SP= -.54E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326720529363E+03 -0.59722E+00 -0.16254E-01 9024 0.235E+01 0.210E-01 RMM: 2 -0.326740942621E+03 -0.20413E-01 -0.15577E-01 5410 0.851E-01 0.958E-01 RMM: 3 -0.326733945643E+03 0.69970E-02 -0.12476E-02 5726 0.225E-01 0.221E-01 RMM: 4 -0.326733527516E+03 0.41813E-03 -0.92851E-04 4738 0.661E-02 0.115E-01 RMM: 5 -0.326733457387E+03 0.70129E-04 -0.13169E-04 3880 0.289E-02 0.841E-02 RMM: 6 -0.326733429828E+03 0.27559E-04 -0.27019E-05 2650 0.158E-02 0.627E-02 RMM: 7 -0.326733434715E+03 -0.48875E-05 -0.35570E-05 2762 0.168E-02 2905 T= 6160. E= 0.67481964E+03 F= 0.62953555E+03 E0= 0.65776763E+03 EK= 0.50162E+02 SP= -.51E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327248475647E+03 -0.51505E+00 -0.17621E-01 9072 0.236E+01 0.221E-01 RMM: 2 -0.327270446597E+03 -0.21971E-01 -0.16107E-01 5648 0.842E-01 0.105E+00 RMM: 3 -0.327261961993E+03 0.84846E-02 -0.11598E-02 5596 0.223E-01 0.202E-01 RMM: 4 -0.327261659697E+03 0.30230E-03 -0.96176E-04 4859 0.635E-02 0.116E-01 RMM: 5 -0.327261585478E+03 0.74219E-04 -0.12315E-04 3894 0.274E-02 0.879E-02 RMM: 6 -0.327261556701E+03 0.28777E-04 -0.30960E-05 2856 0.167E-02 0.648E-02 RMM: 7 -0.327261566208E+03 -0.95074E-05 -0.46000E-05 2877 0.182E-02 2906 T= 6190. E= 0.67481583E+03 F= 0.62900742E+03 E0= 0.65721379E+03 EK= 0.50407E+02 SP= -.48E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327653898286E+03 -0.39234E+00 -0.18230E-01 9136 0.237E+01 0.203E-01 RMM: 2 -0.327673990200E+03 -0.20092E-01 -0.15796E-01 5718 0.811E-01 0.919E-01 RMM: 3 -0.327667133460E+03 0.68567E-02 -0.10239E-02 5735 0.204E-01 0.208E-01 RMM: 4 -0.327666802468E+03 0.33099E-03 -0.82125E-04 4815 0.595E-02 0.110E-01 RMM: 5 -0.327666734853E+03 0.67615E-04 -0.11420E-04 3815 0.264E-02 0.786E-02 RMM: 6 -0.327666713514E+03 0.21339E-04 -0.26680E-05 2743 0.155E-02 0.644E-02 RMM: 7 -0.327666726645E+03 -0.13131E-04 -0.53184E-05 3195 0.195E-02 2907 T= 6207. E= 0.67481460E+03 F= 0.62860226E+03 E0= 0.65678824E+03 EK= 0.50543E+02 SP= -.45E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327941533178E+03 -0.27482E+00 -0.18584E-01 9024 0.237E+01 0.191E-01 RMM: 2 -0.327960922013E+03 -0.19389E-01 -0.16037E-01 5716 0.810E-01 0.826E-01 RMM: 3 -0.327954853294E+03 0.60687E-02 -0.10013E-02 5784 0.203E-01 0.166E-01 RMM: 4 -0.327954654108E+03 0.19919E-03 -0.73355E-04 4954 0.553E-02 0.114E-01 RMM: 5 -0.327954580715E+03 0.73393E-04 -0.95550E-05 3667 0.240E-02 0.816E-02 RMM: 6 -0.327954555402E+03 0.25313E-04 -0.28860E-05 2763 0.164E-02 0.573E-02 RMM: 7 -0.327954568987E+03 -0.13585E-04 -0.65537E-05 3431 0.204E-02 2908 T= 6210. E= 0.67481588E+03 F= 0.62831442E+03 E0= 0.65648713E+03 EK= 0.50574E+02 SP= -.42E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328156527824E+03 -0.20197E+00 -0.18644E-01 8952 0.236E+01 0.210E-01 RMM: 2 -0.328177257771E+03 -0.20730E-01 -0.15734E-01 5694 0.814E-01 0.970E-01 RMM: 3 -0.328169570649E+03 0.76871E-02 -0.10470E-02 5825 0.209E-01 0.189E-01 RMM: 4 -0.328169276171E+03 0.29448E-03 -0.78353E-04 4796 0.587E-02 0.104E-01 RMM: 5 -0.328169215878E+03 0.60292E-04 -0.10611E-04 3770 0.258E-02 0.760E-02 RMM: 6 -0.328169193157E+03 0.22721E-04 -0.25773E-05 2666 0.153E-02 0.591E-02 RMM: 7 -0.328169205670E+03 -0.12513E-04 -0.36327E-05 2762 0.168E-02 2909 T= 6207. E= 0.67481956E+03 F= 0.62809978E+03 E0= 0.65626796E+03 EK= 0.50544E+02 SP= -.40E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328369129612E+03 -0.19994E+00 -0.17986E-01 8976 0.235E+01 0.188E-01 RMM: 2 -0.328388660437E+03 -0.19531E-01 -0.15966E-01 5509 0.838E-01 0.826E-01 RMM: 3 -0.328382787748E+03 0.58727E-02 -0.12155E-02 5662 0.223E-01 0.179E-01 RMM: 4 -0.328382505234E+03 0.28251E-03 -0.79054E-04 5020 0.579E-02 0.993E-02 RMM: 5 -0.328382443990E+03 0.61244E-04 -0.92208E-05 3675 0.249E-02 0.747E-02 RMM: 6 -0.328382424934E+03 0.19056E-04 -0.26426E-05 2584 0.157E-02 2910 T= 6204. E= 0.67482370E+03 F= 0.62788656E+03 E0= 0.65605978E+03 EK= 0.50525E+02 SP= -.37E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328657277082E+03 -0.27483E+00 -0.16087E-01 8768 0.234E+01 0.276E-01 RMM: 2 -0.328687394942E+03 -0.30118E-01 -0.16088E-01 5154 0.874E-01 0.152E+00 RMM: 3 -0.328670535824E+03 0.16859E-01 -0.16108E-02 5493 0.277E-01 0.286E-01 RMM: 4 -0.328669892347E+03 0.64348E-03 -0.14571E-03 4871 0.778E-02 0.101E-01 RMM: 5 -0.328669846741E+03 0.45606E-04 -0.16172E-04 4318 0.299E-02 0.874E-02 RMM: 6 -0.328669824653E+03 0.22087E-04 -0.28652E-05 2609 0.156E-02 0.805E-02 RMM: 7 -0.328669861463E+03 -0.36810E-04 -0.69101E-05 3505 0.223E-02 0.116E-01 RMM: 8 -0.328669779064E+03 0.82399E-04 -0.15632E-04 3891 0.271E-02 0.476E-02 RMM: 9 -0.328669768579E+03 0.10484E-04 -0.26250E-05 2645 0.141E-02 2911 T= 6212. E= 0.67482645E+03 F= 0.62759922E+03 E0= 0.65578605E+03 EK= 0.50589E+02 SP= -.35E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329072278659E+03 -0.40250E+00 -0.13812E-01 8528 0.234E+01 0.274E-01 RMM: 2 -0.329098954583E+03 -0.26676E-01 -0.14177E-01 5068 0.817E-01 0.141E+00 RMM: 3 -0.329083746101E+03 0.15208E-01 -0.14454E-02 5475 0.261E-01 0.218E-01 RMM: 4 -0.329083517140E+03 0.22896E-03 -0.15761E-03 4885 0.883E-02 0.176E-01 RMM: 5 -0.329083373583E+03 0.14356E-03 -0.24267E-04 3932 0.375E-02 0.117E-01 RMM: 6 -0.329083285164E+03 0.88419E-04 -0.53981E-05 3277 0.220E-02 0.344E-02 RMM: 7 -0.329083299470E+03 -0.14306E-04 -0.31208E-05 2738 0.163E-02 2912 T= 6236. E= 0.67482639E+03 F= 0.62718569E+03 E0= 0.65539416E+03 EK= 0.50786E+02 SP= -.32E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329623853683E+03 -0.54057E+00 -0.12484E-01 8336 0.235E+01 0.183E-01 RMM: 2 -0.329641786725E+03 -0.17933E-01 -0.12647E-01 5165 0.770E-01 0.968E-01 RMM: 3 -0.329634345563E+03 0.74412E-02 -0.11183E-02 5789 0.218E-01 0.189E-01 RMM: 4 -0.329634023841E+03 0.32172E-03 -0.72748E-04 4809 0.580E-02 0.759E-02 RMM: 5 -0.329633992675E+03 0.31166E-04 -0.87045E-05 3776 0.244E-02 0.680E-02 RMM: 6 -0.329633974429E+03 0.18246E-04 -0.20838E-05 2547 0.136E-02 2913 T= 6278. E= 0.67482362E+03 F= 0.62663501E+03 E0= 0.65487139E+03 EK= 0.51127E+02 SP= -.30E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330278083250E+03 -0.64409E+00 -0.12366E-01 8320 0.236E+01 0.236E-01 RMM: 2 -0.330299670599E+03 -0.21587E-01 -0.12670E-01 5005 0.798E-01 0.122E+00 RMM: 3 -0.330288649347E+03 0.11021E-01 -0.13576E-02 5602 0.248E-01 0.214E-01 RMM: 4 -0.330288241731E+03 0.40762E-03 -0.10408E-03 4924 0.658E-02 0.915E-02 RMM: 5 -0.330288193085E+03 0.48646E-04 -0.11300E-04 3930 0.282E-02 0.715E-02 RMM: 6 -0.330288176521E+03 0.16564E-04 -0.26368E-05 2567 0.152E-02 2914 T= 6333. E= 0.67481895E+03 F= 0.62598081E+03 E0= 0.65424953E+03 EK= 0.51575E+02 SP= -.28E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330969695141E+03 -0.68150E+00 -0.12540E-01 8280 0.238E+01 0.346E-01 RMM: 2 -0.331006446470E+03 -0.36751E-01 -0.13509E-01 4985 0.854E-01 0.191E+00 RMM: 3 -0.330980501027E+03 0.25945E-01 -0.17787E-02 5387 0.315E-01 0.397E-01 RMM: 4 -0.330979335359E+03 0.11657E-02 -0.21353E-03 5052 0.980E-02 0.837E-02 RMM: 5 -0.330979333565E+03 0.17944E-05 -0.24517E-04 4152 0.334E-02 0.102E-01 RMM: 6 -0.330979267451E+03 0.66114E-04 -0.33582E-05 2721 0.176E-02 0.482E-02 RMM: 7 -0.330979276360E+03 -0.89094E-05 -0.30084E-05 2671 0.165E-02 2915 T= 6393. E= 0.67481305E+03 F= 0.62528971E+03 E0= 0.65359372E+03 EK= 0.52064E+02 SP= -.26E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331616801196E+03 -0.63753E+00 -0.12804E-01 8464 0.240E+01 0.303E-01 RMM: 2 -0.331647012248E+03 -0.30211E-01 -0.13015E-01 4981 0.830E-01 0.165E+00 RMM: 3 -0.331627513138E+03 0.19499E-01 -0.15874E-02 5439 0.285E-01 0.315E-01 RMM: 4 -0.331626804543E+03 0.70860E-03 -0.17898E-03 4925 0.908E-02 0.114E-01 RMM: 5 -0.331626804394E+03 0.14877E-06 -0.24297E-04 3934 0.366E-02 0.125E-01 RMM: 6 -0.331626704544E+03 0.99850E-04 -0.59941E-05 3352 0.229E-02 0.414E-02 RMM: 7 -0.331626710210E+03 -0.56661E-05 -0.23910E-05 2572 0.146E-02 2916 T= 6448. E= 0.67480746E+03 F= 0.62464228E+03 E0= 0.65298344E+03 EK= 0.52511E+02 SP= -.24E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332141822922E+03 -0.51512E+00 -0.13164E-01 8496 0.241E+01 0.223E-01 RMM: 2 -0.332162489253E+03 -0.20666E-01 -0.13964E-01 4958 0.852E-01 0.110E+00 RMM: 3 -0.332153830020E+03 0.86592E-02 -0.15296E-02 5748 0.247E-01 0.209E-01 RMM: 4 -0.332153390268E+03 0.43975E-03 -0.97032E-04 4857 0.670E-02 0.101E-01 RMM: 5 -0.332153336019E+03 0.54249E-04 -0.13858E-04 3882 0.314E-02 0.781E-02 RMM: 6 -0.332153301686E+03 0.34334E-04 -0.32063E-05 2795 0.170E-02 0.467E-02 RMM: 7 -0.332153301940E+03 -0.25409E-06 -0.21515E-05 2532 0.145E-02 2917 T= 6489. E= 0.67480321E+03 F= 0.62411569E+03 E0= 0.65249318E+03 EK= 0.52840E+02 SP= -.22E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332486363603E+03 -0.33306E+00 -0.13946E-01 7968 0.242E+01 0.198E-01 RMM: 2 -0.332506773455E+03 -0.20410E-01 -0.16107E-01 4843 0.915E-01 0.925E-01 RMM: 3 -0.332500470744E+03 0.63027E-02 -0.17975E-02 5984 0.248E-01 0.179E-01 RMM: 4 -0.332499971026E+03 0.49972E-03 -0.85631E-04 4927 0.657E-02 0.973E-02 RMM: 5 -0.332499913577E+03 0.57450E-04 -0.11745E-04 3776 0.295E-02 0.675E-02 RMM: 6 -0.332499891071E+03 0.22506E-04 -0.27112E-05 2582 0.154E-02 0.492E-02 RMM: 7 -0.332499887579E+03 0.34922E-05 -0.26269E-05 2582 0.159E-02 2918 T= 6507. E= 0.67480051E+03 F= 0.62376910E+03 E0= 0.65218145E+03 EK= 0.52990E+02 SP= -.20E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332619745751E+03 -0.11985E+00 -0.13679E-01 7848 0.243E+01 0.194E-01 RMM: 2 -0.332638720198E+03 -0.18974E-01 -0.15415E-01 4818 0.899E-01 0.875E-01 RMM: 3 -0.332633311080E+03 0.54091E-02 -0.17671E-02 6021 0.242E-01 0.175E-01 RMM: 4 -0.332632843470E+03 0.46761E-03 -0.81537E-04 4900 0.652E-02 0.109E-01 RMM: 5 -0.332632767374E+03 0.76096E-04 -0.11687E-04 3761 0.289E-02 0.718E-02 RMM: 6 -0.332632739564E+03 0.27810E-04 -0.27843E-05 2628 0.160E-02 0.442E-02 RMM: 7 -0.332632732579E+03 0.69854E-05 -0.28843E-05 2626 0.161E-02 2919 T= 6499. E= 0.67479963E+03 F= 0.62363626E+03 E0= 0.65208166E+03 EK= 0.52927E+02 SP= -.18E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332536105908E+03 0.96634E-01 -0.13224E-01 8064 0.242E+01 0.193E-01 RMM: 2 -0.332553564638E+03 -0.17459E-01 -0.13202E-01 4856 0.829E-01 0.918E-01 RMM: 3 -0.332547587933E+03 0.59767E-02 -0.15221E-02 5978 0.232E-01 0.178E-01 RMM: 4 -0.332547166627E+03 0.42131E-03 -0.76152E-04 4788 0.623E-02 0.100E-01 RMM: 5 -0.332547103613E+03 0.63013E-04 -0.10620E-04 3753 0.270E-02 0.716E-02 RMM: 6 -0.332547079176E+03 0.24437E-04 -0.26508E-05 2592 0.156E-02 0.499E-02 RMM: 7 -0.332547076825E+03 0.23517E-05 -0.29222E-05 2651 0.159E-02 2920 T= 6465. E= 0.67480095E+03 F= 0.62372191E+03 E0= 0.65219749E+03 EK= 0.52649E+02 SP= -.16E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332259596027E+03 0.28748E+00 -0.12969E-01 8064 0.241E+01 0.195E-01 RMM: 2 -0.332275924324E+03 -0.16328E-01 -0.12594E-01 4890 0.810E-01 0.886E-01 RMM: 3 -0.332270314430E+03 0.56099E-02 -0.13940E-02 5954 0.228E-01 0.180E-01 RMM: 4 -0.332269946243E+03 0.36819E-03 -0.75472E-04 4871 0.608E-02 0.980E-02 RMM: 5 -0.332269885083E+03 0.61160E-04 -0.10306E-04 3781 0.266E-02 0.685E-02 RMM: 6 -0.332269860736E+03 0.24347E-04 -0.23578E-05 2568 0.147E-02 0.433E-02 RMM: 7 -0.332269859513E+03 0.12231E-05 -0.24443E-05 2613 0.148E-02 2921 T= 6408. E= 0.67480430E+03 F= 0.62399913E+03 E0= 0.65250194E+03 EK= 0.52184E+02 SP= -.15E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331845148356E+03 0.42471E+00 -0.12240E-01 8024 0.240E+01 0.190E-01 RMM: 2 -0.331860194811E+03 -0.15046E-01 -0.11087E-01 5012 0.765E-01 0.892E-01 RMM: 3 -0.331854448197E+03 0.57466E-02 -0.11829E-02 5885 0.214E-01 0.171E-01 RMM: 4 -0.331854147045E+03 0.30115E-03 -0.69846E-04 4777 0.585E-02 0.969E-02 RMM: 5 -0.331854092435E+03 0.54610E-04 -0.96216E-05 3696 0.257E-02 0.764E-02 RMM: 6 -0.331854061087E+03 0.31348E-04 -0.25583E-05 2583 0.156E-02 0.452E-02 RMM: 7 -0.331854058762E+03 0.23250E-05 -0.21908E-05 2554 0.140E-02 2922 T= 6335. E= 0.67480863E+03 F= 0.62441493E+03 E0= 0.65294181E+03 EK= 0.51586E+02 SP= -.13E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331356755822E+03 0.49731E+00 -0.11775E-01 7704 0.238E+01 0.188E-01 RMM: 2 -0.331370304295E+03 -0.13548E-01 -0.10202E-01 4972 0.744E-01 0.848E-01 RMM: 3 -0.331365223403E+03 0.50809E-02 -0.11174E-02 5834 0.212E-01 0.162E-01 RMM: 4 -0.331364965301E+03 0.25810E-03 -0.67465E-04 4837 0.559E-02 0.960E-02 RMM: 5 -0.331364909875E+03 0.55426E-04 -0.86775E-05 3630 0.258E-02 0.686E-02 RMM: 6 -0.331364883915E+03 0.25961E-04 -0.22749E-05 2557 0.145E-02 0.405E-02 RMM: 7 -0.331364883165E+03 0.75011E-06 -0.21839E-05 2546 0.140E-02 2923 T= 6253. E= 0.67481267E+03 F= 0.62490411E+03 E0= 0.65345216E+03 EK= 0.50924E+02 SP= -.11E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330854693819E+03 0.51019E+00 -0.11144E-01 7736 0.237E+01 0.187E-01 RMM: 2 -0.330867030006E+03 -0.12336E-01 -0.84951E-02 5014 0.690E-01 0.884E-01 RMM: 3 -0.330861586167E+03 0.54438E-02 -0.91283E-03 5757 0.198E-01 0.161E-01 RMM: 4 -0.330861365714E+03 0.22045E-03 -0.60952E-04 4690 0.548E-02 0.968E-02 RMM: 5 -0.330861318569E+03 0.47145E-04 -0.86989E-05 3579 0.255E-02 0.756E-02 RMM: 6 -0.330861284696E+03 0.33873E-04 -0.26351E-05 2620 0.160E-02 0.366E-02 RMM: 7 -0.330861285091E+03 -0.39472E-06 -0.17190E-05 2500 0.125E-02 2924 T= 6171. E= 0.67481553E+03 F= 0.62540770E+03 E0= 0.65397400E+03 EK= 0.50257E+02 SP= -.91E+00 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330377164332E+03 0.48412E+00 -0.10626E-01 7456 0.236E+01 0.175E-01 RMM: 2 -0.330387429103E+03 -0.10265E-01 -0.77594E-02 5081 0.660E-01 0.755E-01 RMM: 3 -0.330383435144E+03 0.39940E-02 -0.80863E-03 5777 0.185E-01 0.151E-01 RMM: 4 -0.330383257921E+03 0.17722E-03 -0.51194E-04 4634 0.502E-02 0.990E-02 RMM: 5 -0.330383192115E+03 0.65806E-04 -0.72273E-05 3498 0.238E-02 0.608E-02 RMM: 6 -0.330383171444E+03 0.20671E-04 -0.21195E-05 2550 0.141E-02 0.361E-02 RMM: 7 -0.330383170623E+03 0.82092E-06 -0.22460E-05 2535 0.139E-02 2925 T= 6094. E= 0.67481744E+03 F= 0.62588582E+03 E0= 0.65446822E+03 EK= 0.49628E+02 SP= -.74E+00 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329948178374E+03 0.43499E+00 -0.10559E-01 7512 0.235E+01 0.190E-01 RMM: 2 -0.329959495900E+03 -0.11318E-01 -0.77077E-02 5201 0.655E-01 0.862E-01 RMM: 3 -0.329954295656E+03 0.52002E-02 -0.77384E-03 5793 0.181E-01 0.176E-01 RMM: 4 -0.329954050168E+03 0.24549E-03 -0.58525E-04 4637 0.548E-02 0.993E-02 RMM: 5 -0.329953997762E+03 0.52406E-04 -0.83171E-05 3571 0.243E-02 0.767E-02 RMM: 6 -0.329953964560E+03 0.33202E-04 -0.24868E-05 2623 0.158E-02 0.389E-02 RMM: 7 -0.329953965766E+03 -0.12058E-05 -0.17622E-05 2505 0.124E-02 2926 T= 6025. E= 0.67481896E+03 F= 0.62631502E+03 E0= 0.65491200E+03 EK= 0.49064E+02 SP= -.60E+00 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329582842759E+03 0.37112E+00 -0.11064E-01 7976 0.234E+01 0.188E-01 RMM: 2 -0.329594667113E+03 -0.11824E-01 -0.87335E-02 5065 0.687E-01 0.813E-01 RMM: 3 -0.329589961241E+03 0.47059E-02 -0.92718E-03 5829 0.195E-01 0.170E-01 RMM: 4 -0.329589713070E+03 0.24817E-03 -0.61433E-04 4679 0.553E-02 0.107E-01 RMM: 5 -0.329589636166E+03 0.76904E-04 -0.82286E-05 3593 0.248E-02 0.620E-02 RMM: 6 -0.329589619246E+03 0.16920E-04 -0.21179E-05 2558 0.141E-02 2927 T= 5966. E= 0.67482072E+03 F= 0.62667937E+03 E0= 0.65529022E+03 EK= 0.48584E+02 SP= -.47E+00 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329300303442E+03 0.28933E+00 -0.11130E-01 7872 0.233E+01 0.198E-01 RMM: 2 -0.329315037656E+03 -0.14734E-01 -0.94331E-02 5211 0.689E-01 0.978E-01 RMM: 3 -0.329308001069E+03 0.70366E-02 -0.94167E-03 5598 0.204E-01 0.204E-01 RMM: 4 -0.329307683003E+03 0.31807E-03 -0.74190E-04 4768 0.571E-02 0.934E-02 RMM: 5 -0.329307629363E+03 0.53640E-04 -0.78090E-05 3664 0.236E-02 0.729E-02 RMM: 6 -0.329307613660E+03 0.15703E-04 -0.21240E-05 2556 0.139E-02 2928 T= 5920. E= 0.67482297E+03 F= 0.62696138E+03 E0= 0.65558595E+03 EK= 0.48206E+02 SP= -.36E+00 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329123988132E+03 0.18364E+00 -0.11102E-01 8224 0.232E+01 0.355E-01 RMM: 2 -0.329161854821E+03 -0.37867E-01 -0.97902E-02 5251 0.737E-01 0.211E+00 RMM: 3 -0.329130936929E+03 0.30918E-01 -0.15370E-02 5380 0.305E-01 0.329E-01 RMM: 4 -0.329130150181E+03 0.78675E-03 -0.18139E-03 4782 0.874E-02 0.962E-02 RMM: 5 -0.329130108161E+03 0.42019E-04 -0.17806E-04 4094 0.307E-02 0.909E-02 RMM: 6 -0.329130066274E+03 0.41887E-04 -0.26898E-05 2642 0.159E-02 0.626E-02 RMM: 7 -0.329130077286E+03 -0.11011E-04 -0.35388E-05 2890 0.181E-02 2929 T= 5889. E= 0.67482507E+03 F= 0.62713891E+03 E0= 0.65577761E+03 EK= 0.47954E+02 SP= -.28E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329074350413E+03 0.55716E-01 -0.11571E-01 8184 0.232E+01 0.295E-01 RMM: 2 -0.329098121552E+03 -0.23771E-01 -0.97129E-02 5232 0.693E-01 0.153E+00 RMM: 3 -0.329081734768E+03 0.16387E-01 -0.12705E-02 5371 0.263E-01 0.302E-01 RMM: 4 -0.329081212597E+03 0.52217E-03 -0.16397E-03 4747 0.879E-02 0.147E-01 RMM: 5 -0.329081202526E+03 0.10071E-04 -0.25128E-04 3893 0.411E-02 0.150E-01 RMM: 6 -0.329081046920E+03 0.15561E-03 -0.76942E-05 3515 0.258E-02 0.362E-02 RMM: 7 -0.329081049845E+03 -0.29247E-05 -0.21490E-05 2565 0.141E-02 2930 T= 5876. E= 0.67482657E+03 F= 0.62718794E+03 E0= 0.65584155E+03 EK= 0.47850E+02 SP= -.22E+00 SK= 0.49E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329173020485E+03 -0.91974E-01 -0.12202E-01 8544 0.231E+01 0.240E-01 RMM: 2 -0.329193324201E+03 -0.20304E-01 -0.10351E-01 5300 0.709E-01 0.131E+00 RMM: 3 -0.329181201462E+03 0.12123E-01 -0.11123E-02 5461 0.230E-01 0.214E-01 RMM: 4 -0.329180875272E+03 0.32619E-03 -0.10412E-03 4826 0.647E-02 0.928E-02 RMM: 5 -0.329180816651E+03 0.58621E-04 -0.11183E-04 3803 0.264E-02 0.764E-02 RMM: 6 -0.329180785390E+03 0.31261E-04 -0.26335E-05 2592 0.151E-02 0.531E-02 RMM: 7 -0.329180783480E+03 0.19097E-05 -0.23064E-05 2584 0.143E-02 2931 T= 5884. E= 0.67482722E+03 F= 0.62708821E+03 E0= 0.65575737E+03 EK= 0.47917E+02 SP= -.18E+00 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329430399582E+03 -0.24961E+00 -0.12561E-01 8512 0.231E+01 0.187E-01 RMM: 2 -0.329444868785E+03 -0.14469E-01 -0.10598E-01 5267 0.704E-01 0.868E-01 RMM: 3 -0.329439101066E+03 0.57677E-02 -0.96378E-03 5792 0.198E-01 0.175E-01 RMM: 4 -0.329438832844E+03 0.26822E-03 -0.65562E-04 4831 0.538E-02 0.860E-02 RMM: 5 -0.329438794409E+03 0.38435E-04 -0.86102E-05 3612 0.245E-02 0.690E-02 RMM: 6 -0.329438768660E+03 0.25749E-04 -0.22818E-05 2589 0.146E-02 0.407E-02 RMM: 7 -0.329438770991E+03 -0.23310E-05 -0.18660E-05 2531 0.131E-02 2932 T= 5914. E= 0.67482649E+03 F= 0.62683022E+03 E0= 0.65551559E+03 EK= 0.48161E+02 SP= -.16E+00 SK= 0.17E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.329835754762E+03 -0.39699E+00 -0.13697E-01 8360 0.231E+01 0.187E-01 RMM: 2 -0.329852453276E+03 -0.16699E-01 -0.13618E-01 5107 0.811E-01 0.807E-01 RMM: 3 -0.329847388651E+03 0.50646E-02 -0.13353E-02 6009 0.215E-01 0.146E-01 RMM: 4 -0.329847125435E+03 0.26322E-03 -0.71209E-04 4757 0.601E-02 0.126E-01 RMM: 5 -0.329847031035E+03 0.94400E-04 -0.11364E-04 3724 0.276E-02 0.758E-02 RMM: 6 -0.329846997785E+03 0.33250E-04 -0.29130E-05 2772 0.166E-02 0.365E-02 RMM: 7 -0.329846996591E+03 0.11937E-05 -0.15795E-05 2498 0.122E-02 2933 T= 5965. E= 0.67482466E+03 F= 0.62642199E+03 E0= 0.65512434E+03 EK= 0.48575E+02 SP= -.17E+00 SK= 0.69E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330368779896E+03 -0.52178E+00 -0.13537E-01 8544 0.232E+01 0.177E-01 RMM: 2 -0.330384503033E+03 -0.15723E-01 -0.12813E-01 5242 0.776E-01 0.782E-01 RMM: 3 -0.330379645773E+03 0.48573E-02 -0.11638E-02 6007 0.203E-01 0.143E-01 RMM: 4 -0.330379376722E+03 0.26905E-03 -0.60817E-04 4856 0.527E-02 0.938E-02 RMM: 5 -0.330379322554E+03 0.54168E-04 -0.83201E-05 3619 0.240E-02 0.678E-02 RMM: 6 -0.330379300770E+03 0.21785E-04 -0.23233E-05 2560 0.147E-02 0.444E-02 RMM: 7 -0.330379303445E+03 -0.26757E-05 -0.27748E-05 2626 0.153E-02 2934 T= 6033. E= 0.67482125E+03 F= 0.62588969E+03 E0= 0.65460936E+03 EK= 0.49131E+02 SP= -.20E+00 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330981879579E+03 -0.60258E+00 -0.14609E-01 8184 0.233E+01 0.187E-01 RMM: 2 -0.331000995259E+03 -0.19116E-01 -0.15326E-01 5115 0.856E-01 0.870E-01 RMM: 3 -0.330995108956E+03 0.58863E-02 -0.14739E-02 5992 0.221E-01 0.172E-01 RMM: 4 -0.330994719845E+03 0.38911E-03 -0.77278E-04 4792 0.630E-02 0.101E-01 RMM: 5 -0.330994667248E+03 0.52597E-04 -0.11485E-04 3760 0.274E-02 0.725E-02 RMM: 6 -0.330994637669E+03 0.29578E-04 -0.25319E-05 2607 0.155E-02 0.351E-02 RMM: 7 -0.330994638785E+03 -0.11153E-05 -0.13825E-05 2487 0.118E-02 2935 T= 6114. E= 0.67481717E+03 F= 0.62527435E+03 E0= 0.65401020E+03 EK= 0.49786E+02 SP= -.25E+00 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331634428337E+03 -0.63979E+00 -0.13298E-01 8504 0.234E+01 0.166E-01 RMM: 2 -0.331647881809E+03 -0.13453E-01 -0.11507E-01 5295 0.741E-01 0.686E-01 RMM: 3 -0.331644051352E+03 0.38305E-02 -0.99199E-03 6045 0.190E-01 0.131E-01 RMM: 4 -0.331643849432E+03 0.20192E-03 -0.51845E-04 4632 0.500E-02 0.107E-01 RMM: 5 -0.331643773451E+03 0.75981E-04 -0.78016E-05 3515 0.246E-02 0.635E-02 RMM: 6 -0.331643753600E+03 0.19851E-04 -0.21513E-05 2547 0.140E-02 2936 T= 6200. E= 0.67481288E+03 F= 0.62462524E+03 E0= 0.65337534E+03 EK= 0.50489E+02 SP= -.31E+00 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332263676139E+03 -0.61990E+00 -0.13006E-01 8352 0.236E+01 0.206E-01 RMM: 2 -0.332280995605E+03 -0.17319E-01 -0.11762E-01 5214 0.759E-01 0.102E+00 RMM: 3 -0.332273446452E+03 0.75492E-02 -0.11574E-02 5796 0.213E-01 0.200E-01 RMM: 4 -0.332273043072E+03 0.40338E-03 -0.75045E-04 4925 0.574E-02 0.806E-02 RMM: 5 -0.332273003634E+03 0.39438E-04 -0.88306E-05 3668 0.247E-02 0.654E-02 RMM: 6 -0.332272985119E+03 0.18515E-04 -0.20039E-05 2543 0.132E-02 2937 T= 6285. E= 0.67480930E+03 F= 0.62399600E+03 E0= 0.65275767E+03 EK= 0.51185E+02 SP= -.38E+00 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332825810405E+03 -0.55281E+00 -0.12257E-01 8272 0.237E+01 0.288E-01 RMM: 2 -0.332850859440E+03 -0.25049E-01 -0.10100E-01 5245 0.737E-01 0.158E+00 RMM: 3 -0.332833723439E+03 0.17136E-01 -0.12320E-02 5421 0.254E-01 0.296E-01 RMM: 4 -0.332833053701E+03 0.66974E-03 -0.13493E-03 4702 0.774E-02 0.912E-02 RMM: 5 -0.332833020461E+03 0.33240E-04 -0.15451E-04 4006 0.298E-02 0.829E-02 RMM: 6 -0.332832978694E+03 0.41767E-04 -0.25214E-05 2594 0.151E-02 0.526E-02 RMM: 7 -0.332832979454E+03 -0.76043E-06 -0.24771E-05 2556 0.155E-02 2938 T= 6363. E= 0.67480623E+03 F= 0.62343601E+03 E0= 0.65220553E+03 EK= 0.51820E+02 SP= -.46E+00 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333276022913E+03 -0.44304E+00 -0.12134E-01 8080 0.239E+01 0.271E-01 RMM: 2 -0.333295679935E+03 -0.19657E-01 -0.91657E-02 5245 0.703E-01 0.135E+00 RMM: 3 -0.333283073857E+03 0.12606E-01 -0.10718E-02 5460 0.233E-01 0.267E-01 RMM: 4 -0.333282616090E+03 0.45777E-03 -0.12888E-03 4678 0.781E-02 0.125E-01 RMM: 5 -0.333282592437E+03 0.23653E-04 -0.19404E-04 3879 0.358E-02 0.118E-01 RMM: 6 -0.333282498528E+03 0.93908E-04 -0.49655E-05 3206 0.212E-02 0.334E-02 RMM: 7 -0.333282501830E+03 -0.33016E-05 -0.19974E-05 2524 0.137E-02 2939 T= 6429. E= 0.67480441E+03 F= 0.62298649E+03 E0= 0.65175905E+03 EK= 0.52353E+02 SP= -.55E+00 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333588446984E+03 -0.30595E+00 -0.12187E-01 7760 0.240E+01 0.224E-01 RMM: 2 -0.333606904542E+03 -0.18458E-01 -0.97263E-02 5144 0.725E-01 0.124E+00 RMM: 3 -0.333596334657E+03 0.10570E-01 -0.10659E-02 5650 0.215E-01 0.185E-01 RMM: 4 -0.333596033951E+03 0.30071E-03 -0.82958E-04 4715 0.616E-02 0.110E-01 RMM: 5 -0.333595960070E+03 0.73881E-04 -0.11178E-04 3818 0.277E-02 0.728E-02 RMM: 6 -0.333595926477E+03 0.33593E-04 -0.25477E-05 2621 0.151E-02 0.478E-02 RMM: 7 -0.333595918628E+03 0.78491E-05 -0.22207E-05 2534 0.142E-02 2940 T= 6478. E= 0.67480366E+03 F= 0.62267307E+03 E0= 0.65144250E+03 EK= 0.52754E+02 SP= -.64E+00 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333756329280E+03 -0.16040E+00 -0.11538E-01 7928 0.241E+01 0.173E-01 RMM: 2 -0.333768247157E+03 -0.11918E-01 -0.89547E-02 5068 0.697E-01 0.787E-01 RMM: 3 -0.333763962105E+03 0.42851E-02 -0.98132E-03 5837 0.190E-01 0.146E-01 RMM: 4 -0.333763717088E+03 0.24502E-03 -0.55126E-04 4709 0.511E-02 0.919E-02 RMM: 5 -0.333763664998E+03 0.52091E-04 -0.76878E-05 3550 0.250E-02 0.586E-02 RMM: 6 -0.333763646459E+03 0.18538E-04 -0.21665E-05 2561 0.140E-02 2941 T= 6510. E= 0.67480405E+03 F= 0.62250534E+03 E0= 0.65126540E+03 EK= 0.53012E+02 SP= -.73E+00 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333781331935E+03 -0.17667E-01 -0.11574E-01 7632 0.242E+01 0.242E-01 RMM: 2 -0.333803221551E+03 -0.21890E-01 -0.10950E-01 4909 0.795E-01 0.137E+00 RMM: 3 -0.333790400850E+03 0.12821E-01 -0.13075E-02 5545 0.243E-01 0.216E-01 RMM: 4 -0.333790018726E+03 0.38212E-03 -0.10703E-03 4712 0.688E-02 0.992E-02 RMM: 5 -0.333789970150E+03 0.48576E-04 -0.13876E-04 3957 0.295E-02 0.799E-02 RMM: 6 -0.333789930040E+03 0.40110E-04 -0.28173E-05 2610 0.158E-02 0.475E-02 RMM: 7 -0.333789926681E+03 0.33582E-05 -0.24105E-05 2544 0.152E-02 2942 T= 6524. E= 0.67480508E+03 F= 0.62247906E+03 E0= 0.65122331E+03 EK= 0.53129E+02 SP= -.82E+00 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333682088885E+03 0.10784E+00 -0.11159E-01 7600 0.242E+01 0.210E-01 RMM: 2 -0.333696265787E+03 -0.14177E-01 -0.86022E-02 4961 0.714E-01 0.101E+00 RMM: 3 -0.333689331245E+03 0.69345E-02 -0.10309E-02 5504 0.215E-01 0.228E-01 RMM: 4 -0.333688968935E+03 0.36231E-03 -0.90820E-04 4676 0.661E-02 0.903E-02 RMM: 5 -0.333688958599E+03 0.10336E-04 -0.13438E-04 3865 0.298E-02 2943 T= 6523. E= 0.67480747E+03 F= 0.62258003E+03 E0= 0.65130267E+03 EK= 0.53120E+02 SP= -.91E+00 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333471382704E+03 0.21759E+00 -0.11732E-01 7744 0.242E+01 0.159E-01 RMM: 2 -0.333484358890E+03 -0.12976E-01 -0.89615E-02 4926 0.720E-01 0.861E-01 RMM: 3 -0.333479244356E+03 0.51145E-02 -0.10249E-02 5777 0.195E-01 0.146E-01 RMM: 4 -0.333479000685E+03 0.24367E-03 -0.52564E-04 4690 0.512E-02 0.879E-02 RMM: 5 -0.333478945189E+03 0.55496E-04 -0.73119E-05 3509 0.247E-02 0.626E-02 RMM: 6 -0.333478930737E+03 0.14453E-04 -0.25954E-05 2549 0.151E-02 2944 T= 6508. E= 0.67481054E+03 F= 0.62279006E+03 E0= 0.65148641E+03 EK= 0.53001E+02 SP= -.10E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333174971382E+03 0.30397E+00 -0.12348E-01 7624 0.243E+01 0.249E-01 RMM: 2 -0.333196342466E+03 -0.21371E-01 -0.99263E-02 4831 0.776E-01 0.140E+00 RMM: 3 -0.333183026098E+03 0.13316E-01 -0.12872E-02 5414 0.254E-01 0.193E-01 RMM: 4 -0.333182762666E+03 0.26343E-03 -0.11595E-03 5026 0.638E-02 0.792E-02 RMM: 5 -0.333182734848E+03 0.27818E-04 -0.11863E-04 3862 0.305E-02 0.736E-02 RMM: 6 -0.333182700909E+03 0.33939E-04 -0.26045E-05 2626 0.151E-02 0.365E-02 RMM: 7 -0.333182702515E+03 -0.16065E-05 -0.14974E-05 2495 0.124E-02 2945 T= 6483. E= 0.67481257E+03 F= 0.62308629E+03 E0= 0.65175403E+03 EK= 0.52794E+02 SP= -.11E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332819183141E+03 0.36352E+00 -0.11379E-01 7568 0.243E+01 0.300E-01 RMM: 2 -0.332843148663E+03 -0.23966E-01 -0.93528E-02 4836 0.773E-01 0.158E+00 RMM: 3 -0.332826290800E+03 0.16858E-01 -0.13664E-02 5348 0.277E-01 0.284E-01 RMM: 4 -0.332825770384E+03 0.52042E-03 -0.14819E-03 4852 0.809E-02 0.114E-01 RMM: 5 -0.332825798008E+03 -0.27624E-04 -0.22458E-04 3886 0.375E-02 0.139E-01 RMM: 6 -0.332825668361E+03 0.12965E-03 -0.71602E-05 3458 0.248E-02 0.336E-02 RMM: 7 -0.332825664695E+03 0.36666E-05 -0.16357E-05 2521 0.122E-02 2946 T= 6450. E= 0.67481524E+03 F= 0.62344332E+03 E0= 0.65208218E+03 EK= 0.52527E+02 SP= -.12E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332431283743E+03 0.39438E+00 -0.11193E-01 7736 0.243E+01 0.186E-01 RMM: 2 -0.332444449438E+03 -0.13166E-01 -0.79471E-02 4904 0.687E-01 0.974E-01 RMM: 3 -0.332437983216E+03 0.64662E-02 -0.94576E-03 5484 0.206E-01 0.153E-01 RMM: 4 -0.332437808097E+03 0.17512E-03 -0.66560E-04 4799 0.535E-02 0.860E-02 RMM: 5 -0.332437762870E+03 0.45227E-04 -0.87484E-05 3657 0.266E-02 0.605E-02 RMM: 6 -0.332437741501E+03 0.21369E-04 -0.24326E-05 2562 0.148E-02 0.375E-02 RMM: 7 -0.332437742712E+03 -0.12109E-05 -0.17757E-05 2503 0.128E-02 2947 T= 6414. E= 0.67481820E+03 F= 0.62383125E+03 E0= 0.65244275E+03 EK= 0.52231E+02 SP= -.13E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332048287663E+03 0.38945E+00 -0.11375E-01 7656 0.243E+01 0.168E-01 RMM: 2 -0.332058982425E+03 -0.10695E-01 -0.81549E-02 4834 0.703E-01 0.741E-01 RMM: 3 -0.332055261582E+03 0.37208E-02 -0.97964E-03 5764 0.196E-01 0.163E-01 RMM: 4 -0.332055007680E+03 0.25390E-03 -0.55555E-04 4721 0.530E-02 0.817E-02 RMM: 5 -0.332054975857E+03 0.31823E-04 -0.83623E-05 3554 0.258E-02 0.675E-02 RMM: 6 -0.332054950034E+03 0.25823E-04 -0.24756E-05 2574 0.153E-02 0.341E-02 RMM: 7 -0.332054950806E+03 -0.77184E-06 -0.16012E-05 2483 0.125E-02 2948 T= 6379. E= 0.67482139E+03 F= 0.62421404E+03 E0= 0.65280143E+03 EK= 0.51943E+02 SP= -.14E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331712452353E+03 0.34250E+00 -0.11770E-01 7712 0.242E+01 0.146E-01 RMM: 2 -0.331723067297E+03 -0.10615E-01 -0.91739E-02 4810 0.736E-01 0.617E-01 RMM: 3 -0.331720438622E+03 0.26287E-02 -0.10599E-02 5959 0.190E-01 0.123E-01 RMM: 4 -0.331720240036E+03 0.19859E-03 -0.49290E-04 4587 0.546E-02 0.102E-01 RMM: 5 -0.331720170846E+03 0.69190E-04 -0.76734E-05 3450 0.263E-02 0.534E-02 RMM: 6 -0.331720156612E+03 0.14235E-04 -0.22483E-05 2533 0.141E-02 2949 T= 6350. E= 0.67482476E+03 F= 0.62454883E+03 E0= 0.65311592E+03 EK= 0.51708E+02 SP= -.15E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331471502453E+03 0.24867E+00 -0.11379E-01 7696 0.241E+01 0.174E-01 RMM: 2 -0.331485331386E+03 -0.13829E-01 -0.85786E-02 4860 0.708E-01 0.967E-01 RMM: 3 -0.331478835963E+03 0.64954E-02 -0.99347E-03 5565 0.204E-01 0.163E-01 RMM: 4 -0.331478599561E+03 0.23640E-03 -0.62250E-04 4781 0.534E-02 0.699E-02 RMM: 5 -0.331478566737E+03 0.32824E-04 -0.76956E-05 3586 0.244E-02 0.577E-02 RMM: 6 -0.331478552398E+03 0.14339E-04 -0.21056E-05 2530 0.135E-02 2950 T= 6333. E= 0.67482827E+03 F= 0.62479044E+03 E0= 0.65334150E+03 EK= 0.51571E+02 SP= -.16E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331367068453E+03 0.11150E+00 -0.10886E-01 7400 0.240E+01 0.255E-01 RMM: 2 -0.331388348351E+03 -0.21280E-01 -0.73197E-02 5029 0.669E-01 0.150E+00 RMM: 3 -0.331372714988E+03 0.15633E-01 -0.10161E-02 5372 0.239E-01 0.240E-01 RMM: 4 -0.331372308036E+03 0.40695E-03 -0.10390E-03 4657 0.665E-02 0.757E-02 RMM: 5 -0.331372289981E+03 0.18056E-04 -0.11661E-04 3889 0.275E-02 2951 T= 6333. E= 0.67483150E+03 F= 0.62489670E+03 E0= 0.65343627E+03 EK= 0.51575E+02 SP= -.17E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331427075424E+03 -0.54767E-01 -0.11367E-01 7576 0.240E+01 0.196E-01 RMM: 2 -0.331441148210E+03 -0.14073E-01 -0.75565E-02 5028 0.661E-01 0.106E+00 RMM: 3 -0.331433437452E+03 0.77108E-02 -0.85961E-03 5413 0.206E-01 0.237E-01 RMM: 4 -0.331433047607E+03 0.38984E-03 -0.79149E-04 4632 0.603E-02 0.734E-02 RMM: 5 -0.331433019766E+03 0.27842E-04 -0.94241E-05 3843 0.247E-02 0.690E-02 RMM: 6 -0.331432994418E+03 0.25348E-04 -0.21182E-05 2548 0.137E-02 0.481E-02 RMM: 7 -0.331433002595E+03 -0.81777E-05 -0.29492E-05 2649 0.161E-02 2952 T= 6355. E= 0.67483309E+03 F= 0.62483599E+03 E0= 0.65336828E+03 EK= 0.51751E+02 SP= -.18E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331673759813E+03 -0.24077E+00 -0.11250E-01 7392 0.239E+01 0.247E-01 RMM: 2 -0.331685596797E+03 -0.11837E-01 -0.64667E-02 5002 0.640E-01 0.104E+00 RMM: 3 -0.331678479286E+03 0.71175E-02 -0.80916E-03 5416 0.204E-01 0.216E-01 RMM: 4 -0.331678279549E+03 0.19974E-03 -0.88691E-04 4615 0.661E-02 0.147E-01 RMM: 5 -0.331678245554E+03 0.33996E-04 -0.18409E-04 3870 0.353E-02 0.131E-01 RMM: 6 -0.331678132303E+03 0.11325E-03 -0.70533E-05 3440 0.253E-02 0.248E-02 RMM: 7 -0.331678137794E+03 -0.54908E-05 -0.15607E-05 2516 0.121E-02 2953 T= 6400. E= 0.67483356E+03 F= 0.62459085E+03 E0= 0.65312008E+03 EK= 0.52116E+02 SP= -.19E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332104891236E+03 -0.42676E+00 -0.11167E-01 7712 0.239E+01 0.180E-01 RMM: 2 -0.332116674585E+03 -0.11783E-01 -0.75742E-02 5069 0.669E-01 0.897E-01 RMM: 3 -0.332111176710E+03 0.54979E-02 -0.80392E-03 5551 0.186E-01 0.167E-01 RMM: 4 -0.332110957062E+03 0.21965E-03 -0.57376E-04 4653 0.536E-02 0.912E-02 RMM: 5 -0.332110894103E+03 0.62959E-04 -0.83210E-05 3614 0.243E-02 0.613E-02 RMM: 6 -0.332110869956E+03 0.24147E-04 -0.23447E-05 2563 0.147E-02 0.409E-02 RMM: 7 -0.332110862357E+03 0.75994E-05 -0.30657E-05 2589 0.157E-02 2954 T= 6468. E= 0.67483267E+03 F= 0.62415813E+03 E0= 0.65268923E+03 EK= 0.52673E+02 SP= -.20E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332710229088E+03 -0.59936E+00 -0.11994E-01 7552 0.240E+01 0.172E-01 RMM: 2 -0.332721824655E+03 -0.11596E-01 -0.89519E-02 4814 0.740E-01 0.757E-01 RMM: 3 -0.332717904890E+03 0.39198E-02 -0.10825E-02 5646 0.209E-01 0.164E-01 RMM: 4 -0.332717653419E+03 0.25147E-03 -0.62756E-04 4847 0.539E-02 0.691E-02 RMM: 5 -0.332717637468E+03 0.15951E-04 -0.83666E-05 3584 0.259E-02 2955 T= 6558. E= 0.67483119E+03 F= 0.62355135E+03 E0= 0.65208903E+03 EK= 0.53405E+02 SP= -.22E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333462183759E+03 -0.74453E+00 -0.11556E-01 7584 0.241E+01 0.138E-01 RMM: 2 -0.333472597240E+03 -0.10413E-01 -0.83600E-02 4968 0.693E-01 0.677E-01 RMM: 3 -0.333469438496E+03 0.31587E-02 -0.91166E-03 5814 0.180E-01 0.128E-01 RMM: 4 -0.333469248241E+03 0.19025E-03 -0.40913E-04 4426 0.481E-02 0.920E-02 RMM: 5 -0.333469188231E+03 0.60011E-04 -0.60275E-05 3324 0.232E-02 0.619E-02 RMM: 6 -0.333469178443E+03 0.97877E-05 -0.27991E-05 2567 0.158E-02 2956 T= 6666. E= 0.67482894E+03 F= 0.62279981E+03 E0= 0.65134878E+03 EK= 0.54282E+02 SP= -.23E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334314547258E+03 -0.84536E+00 -0.11413E-01 7584 0.242E+01 0.262E-01 RMM: 2 -0.334336414157E+03 -0.21867E-01 -0.93591E-02 4811 0.759E-01 0.146E+00 RMM: 3 -0.334322077920E+03 0.14336E-01 -0.12677E-02 5411 0.254E-01 0.235E-01 RMM: 4 -0.334321719874E+03 0.35805E-03 -0.12414E-03 4753 0.734E-02 0.103E-01 RMM: 5 -0.334321716521E+03 0.33524E-05 -0.17586E-04 3895 0.324E-02 2957 T= 6785. E= 0.67482599E+03 F= 0.62194727E+03 E0= 0.65051286E+03 EK= 0.55254E+02 SP= -.24E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335213405144E+03 -0.89169E+00 -0.11399E-01 7528 0.244E+01 0.241E-01 RMM: 2 -0.335236245203E+03 -0.22840E-01 -0.93319E-02 5022 0.755E-01 0.149E+00 RMM: 3 -0.335220939458E+03 0.15306E-01 -0.11584E-02 5413 0.240E-01 0.182E-01 RMM: 4 -0.335220726636E+03 0.21282E-03 -0.10697E-03 4737 0.691E-02 0.116E-01 RMM: 5 -0.335220637868E+03 0.88769E-04 -0.14759E-04 3874 0.310E-02 0.762E-02 RMM: 6 -0.335220607727E+03 0.30140E-04 -0.32203E-05 2749 0.170E-02 0.479E-02 RMM: 7 -0.335220608582E+03 -0.85482E-06 -0.30552E-05 2601 0.157E-02 2958 T= 6909. E= 0.67482292E+03 F= 0.62104838E+03 E0= 0.64963426E+03 EK= 0.56263E+02 SP= -.25E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336096651094E+03 -0.87604E+00 -0.12109E-01 7544 0.246E+01 0.215E-01 RMM: 2 -0.336113809004E+03 -0.17158E-01 -0.10289E-01 4830 0.784E-01 0.112E+00 RMM: 3 -0.336105307179E+03 0.85018E-02 -0.12383E-02 5595 0.226E-01 0.180E-01 RMM: 4 -0.336105037911E+03 0.26927E-03 -0.86300E-04 4764 0.636E-02 0.102E-01 RMM: 5 -0.336104979561E+03 0.58350E-04 -0.12330E-04 3842 0.289E-02 0.624E-02 RMM: 6 -0.336104955183E+03 0.24378E-04 -0.27152E-05 2667 0.157E-02 0.233E-02 RMM: 7 -0.336104956642E+03 -0.14589E-05 -0.13038E-05 2485 0.118E-02 2959 T= 7029. E= 0.67481871E+03 F= 0.62016403E+03 E0= 0.64877404E+03 EK= 0.57242E+02 SP= -.26E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336904905065E+03 -0.79995E+00 -0.11760E-01 7616 0.248E+01 0.164E-01 RMM: 2 -0.336914967195E+03 -0.10062E-01 -0.87475E-02 4991 0.727E-01 0.638E-01 RMM: 3 -0.336912321406E+03 0.26458E-02 -0.97778E-03 5903 0.182E-01 0.109E-01 RMM: 4 -0.336912196796E+03 0.12461E-03 -0.49603E-04 4532 0.551E-02 0.147E-01 RMM: 5 -0.336912041485E+03 0.15531E-03 -0.10017E-04 3621 0.283E-02 0.513E-02 RMM: 6 -0.336912029700E+03 0.11785E-04 -0.22051E-05 2549 0.136E-02 2960 T= 7137. E= 0.67481440E+03 F= 0.61935696E+03 E0= 0.64799258E+03 EK= 0.58122E+02 SP= -.27E+01 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337572261073E+03 -0.66022E+00 -0.11813E-01 7584 0.250E+01 0.158E-01 RMM: 2 -0.337583532634E+03 -0.11272E-01 -0.87483E-02 4931 0.715E-01 0.740E-01 RMM: 3 -0.337579843100E+03 0.36895E-02 -0.10152E-02 5850 0.190E-01 0.119E-01 RMM: 4 -0.337579649764E+03 0.19334E-03 -0.46552E-04 4653 0.488E-02 0.938E-02 RMM: 5 -0.337579581293E+03 0.68470E-04 -0.66184E-05 3443 0.239E-02 0.513E-02 RMM: 6 -0.337579573015E+03 0.82788E-05 -0.23126E-05 2537 0.142E-02 2961 T= 7225. E= 0.67481091E+03 F= 0.61868942E+03 E0= 0.64735208E+03 EK= 0.58839E+02 SP= -.27E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338045486477E+03 -0.46591E+00 -0.11671E-01 7408 0.252E+01 0.303E-01 RMM: 2 -0.338070960817E+03 -0.25474E-01 -0.95716E-02 4930 0.781E-01 0.164E+00 RMM: 3 -0.338052679749E+03 0.18281E-01 -0.13295E-02 5397 0.270E-01 0.238E-01 RMM: 4 -0.338052316735E+03 0.36301E-03 -0.13857E-03 4702 0.773E-02 0.115E-01 RMM: 5 -0.338052286148E+03 0.30587E-04 -0.18705E-04 3887 0.341E-02 0.109E-01 RMM: 6 -0.338052209132E+03 0.77016E-04 -0.48018E-05 3155 0.208E-02 0.373E-02 RMM: 7 -0.338052210201E+03 -0.10693E-05 -0.19129E-05 2514 0.139E-02 2962 T= 7286. E= 0.67480852E+03 F= 0.61821678E+03 E0= 0.64690625E+03 EK= 0.59331E+02 SP= -.27E+01 SK= 0.41E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.338279382883E+03 -0.22717E+00 -0.11767E-01 7368 0.253E+01 0.208E-01 RMM: 2 -0.338294493143E+03 -0.15110E-01 -0.95711E-02 4908 0.754E-01 0.101E+00 RMM: 3 -0.338287482437E+03 0.70107E-02 -0.11686E-02 5545 0.226E-01 0.207E-01 RMM: 4 -0.338287202674E+03 0.27976E-03 -0.93763E-04 4668 0.669E-02 0.111E-01 RMM: 5 -0.338287134312E+03 0.68362E-04 -0.13590E-04 3872 0.293E-02 0.873E-02 RMM: 6 -0.338287086192E+03 0.48120E-04 -0.30569E-05 2746 0.169E-02 0.345E-02 RMM: 7 -0.338287084469E+03 0.17226E-05 -0.20946E-05 2502 0.146E-02 2963 T= 7313. E= 0.67480663E+03 F= 0.61798190E+03 E0= 0.64669654E+03 EK= 0.59552E+02 SP= -.27E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338244767662E+03 0.42319E-01 -0.11714E-01 7368 0.254E+01 0.172E-01 RMM: 2 -0.338257774083E+03 -0.13006E-01 -0.95243E-02 4841 0.748E-01 0.833E-01 RMM: 3 -0.338253032392E+03 0.47417E-02 -0.11410E-02 5826 0.203E-01 0.143E-01 RMM: 4 -0.338252792730E+03 0.23966E-03 -0.58604E-04 4663 0.565E-02 0.939E-02 RMM: 5 -0.338252736813E+03 0.55917E-04 -0.87134E-05 3616 0.255E-02 0.670E-02 RMM: 6 -0.338252712609E+03 0.24204E-04 -0.24407E-05 2554 0.149E-02 0.390E-02 RMM: 7 -0.338252712233E+03 0.37591E-06 -0.21494E-05 2510 0.144E-02 2964 T= 7303. E= 0.67480555E+03 F= 0.61801628E+03 E0= 0.64675293E+03 EK= 0.59469E+02 SP= -.27E+01 SK= 0.65E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337923502110E+03 0.32921E+00 -0.12331E-01 7584 0.254E+01 0.159E-01 RMM: 2 -0.337935100126E+03 -0.11598E-01 -0.10195E-01 4790 0.775E-01 0.627E-01 RMM: 3 -0.337932461641E+03 0.26385E-02 -0.12407E-02 6014 0.201E-01 0.117E-01 RMM: 4 -0.337932247697E+03 0.21394E-03 -0.54231E-04 4659 0.573E-02 0.119E-01 RMM: 5 -0.337932151346E+03 0.96351E-04 -0.85113E-05 3521 0.273E-02 0.559E-02 RMM: 6 -0.337932135792E+03 0.15554E-04 -0.23282E-05 2544 0.145E-02 2965 T= 7254. E= 0.67480641E+03 F= 0.61833685E+03 E0= 0.64709209E+03 EK= 0.59069E+02 SP= -.26E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337315851462E+03 0.61630E+00 -0.12679E-01 7384 0.254E+01 0.152E-01 RMM: 2 -0.337329677667E+03 -0.13826E-01 -0.11037E-01 4844 0.795E-01 0.759E-01 RMM: 3 -0.337325693108E+03 0.39846E-02 -0.12729E-02 5846 0.205E-01 0.141E-01 RMM: 4 -0.337325414332E+03 0.27878E-03 -0.59233E-04 4638 0.578E-02 0.836E-02 RMM: 5 -0.337325361069E+03 0.53263E-04 -0.78382E-05 3607 0.254E-02 0.548E-02 RMM: 6 -0.337325351649E+03 0.94200E-05 -0.23274E-05 2537 0.145E-02 2966 T= 7166. E= 0.67480861E+03 F= 0.61894364E+03 E0= 0.64771301E+03 EK= 0.58352E+02 SP= -.25E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336438737524E+03 0.88662E+00 -0.12460E-01 7256 0.253E+01 0.242E-01 RMM: 2 -0.336459651778E+03 -0.20914E-01 -0.94596E-02 4813 0.765E-01 0.137E+00 RMM: 3 -0.336446629539E+03 0.13022E-01 -0.12503E-02 5421 0.249E-01 0.222E-01 RMM: 4 -0.336446270501E+03 0.35904E-03 -0.11055E-03 4700 0.690E-02 0.808E-02 RMM: 5 -0.336446244337E+03 0.26164E-04 -0.13254E-04 3999 0.289E-02 0.727E-02 RMM: 6 -0.336446212903E+03 0.31434E-04 -0.26031E-05 2589 0.151E-02 0.425E-02 RMM: 7 -0.336446223584E+03 -0.10681E-04 -0.23032E-05 2545 0.152E-02 2967 T= 7041. E= 0.67481124E+03 F= 0.61982277E+03 E0= 0.64860126E+03 EK= 0.57337E+02 SP= -.24E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335313350094E+03 0.11329E+01 -0.12421E-01 7496 0.251E+01 0.253E-01 RMM: 2 -0.335331132938E+03 -0.17783E-01 -0.91417E-02 4785 0.752E-01 0.122E+00 RMM: 3 -0.335320746313E+03 0.10387E-01 -0.12243E-02 5417 0.249E-01 0.257E-01 RMM: 4 -0.335320352493E+03 0.39382E-03 -0.12796E-03 4764 0.778E-02 0.117E-01 RMM: 5 -0.335320322160E+03 0.30333E-04 -0.18076E-04 3877 0.341E-02 0.103E-01 RMM: 6 -0.335320250424E+03 0.71736E-04 -0.45182E-05 3128 0.203E-02 0.269E-02 RMM: 7 -0.335320252263E+03 -0.18393E-05 -0.14064E-05 2498 0.117E-02 2968 T= 6884. E= 0.67481509E+03 F= 0.62094874E+03 E0= 0.64973059E+03 EK= 0.56057E+02 SP= -.22E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333975583351E+03 0.13447E+01 -0.12440E-01 7528 0.249E+01 0.173E-01 RMM: 2 -0.333988770712E+03 -0.13187E-01 -0.95042E-02 4771 0.751E-01 0.848E-01 RMM: 3 -0.333983906695E+03 0.48640E-02 -0.11633E-02 5794 0.209E-01 0.154E-01 RMM: 4 -0.333983646848E+03 0.25985E-03 -0.61495E-04 4698 0.577E-02 0.101E-01 RMM: 5 -0.333983576825E+03 0.70023E-04 -0.92997E-05 3638 0.275E-02 0.567E-02 RMM: 6 -0.333983560406E+03 0.16419E-04 -0.24882E-05 2554 0.146E-02 2969 T= 6699. E= 0.67481995E+03 F= 0.62228543E+03 E0= 0.65106495E+03 EK= 0.54556E+02 SP= -.21E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332472149464E+03 0.15114E+01 -0.12710E-01 7560 0.246E+01 0.210E-01 RMM: 2 -0.332490412044E+03 -0.18263E-01 -0.10291E-01 4831 0.772E-01 0.117E+00 RMM: 3 -0.332480926393E+03 0.94857E-02 -0.12821E-02 5560 0.235E-01 0.188E-01 RMM: 4 -0.332480614620E+03 0.31177E-03 -0.90906E-04 4802 0.632E-02 0.864E-02 RMM: 5 -0.332480579884E+03 0.34736E-04 -0.11561E-04 3916 0.291E-02 0.691E-02 RMM: 6 -0.332480555332E+03 0.24552E-04 -0.24979E-05 2566 0.144E-02 0.498E-02 RMM: 7 -0.332480565475E+03 -0.10143E-04 -0.29203E-05 2645 0.169E-02 2970 T= 6494. E= 0.67482540E+03 F= 0.62378842E+03 E0= 0.65255972E+03 EK= 0.52887E+02 SP= -.19E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330857822363E+03 0.16227E+01 -0.12085E-01 7600 0.242E+01 0.244E-01 RMM: 2 -0.330876711161E+03 -0.18889E-01 -0.10333E-01 4764 0.789E-01 0.125E+00 RMM: 3 -0.330866266041E+03 0.10445E-01 -0.13244E-02 5582 0.242E-01 0.185E-01 RMM: 4 -0.330866086655E+03 0.17939E-03 -0.11793E-03 4750 0.764E-02 0.162E-01 RMM: 5 -0.330865981197E+03 0.10546E-03 -0.18666E-04 3879 0.350E-02 0.107E-01 RMM: 6 -0.330865903039E+03 0.78159E-04 -0.47930E-05 3171 0.206E-02 0.276E-02 RMM: 7 -0.330865907422E+03 -0.43831E-05 -0.17437E-05 2512 0.132E-02 2971 T= 6276. E= 0.67483128E+03 F= 0.62540308E+03 E0= 0.65416068E+03 EK= 0.51111E+02 SP= -.17E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329193020966E+03 0.16729E+01 -0.12806E-01 7688 0.238E+01 0.192E-01 RMM: 2 -0.329211019535E+03 -0.17999E-01 -0.11717E-01 4782 0.820E-01 0.105E+00 RMM: 3 -0.329203274842E+03 0.77447E-02 -0.14452E-02 5800 0.232E-01 0.151E-01 RMM: 4 -0.329202972631E+03 0.30221E-03 -0.78285E-04 4769 0.629E-02 0.107E-01 RMM: 5 -0.329202907147E+03 0.65484E-04 -0.11171E-04 3787 0.293E-02 0.658E-02 RMM: 6 -0.329202885039E+03 0.22108E-04 -0.26206E-05 2562 0.149E-02 0.479E-02 RMM: 7 -0.329202884836E+03 0.20356E-06 -0.30085E-05 2629 0.169E-02 2972 T= 6054. E= 0.67483779E+03 F= 0.62706610E+03 E0= 0.65580544E+03 EK= 0.49302E+02 SP= -.16E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327554799130E+03 0.16481E+01 -0.12327E-01 7784 0.234E+01 0.165E-01 RMM: 2 -0.327568103016E+03 -0.13304E-01 -0.10603E-01 4830 0.768E-01 0.757E-01 RMM: 3 -0.327564055610E+03 0.40474E-02 -0.12436E-02 5995 0.206E-01 0.134E-01 RMM: 4 -0.327563792338E+03 0.26327E-03 -0.59633E-04 4668 0.582E-02 0.105E-01 RMM: 5 -0.327563729674E+03 0.62664E-04 -0.84836E-05 3534 0.262E-02 0.610E-02 RMM: 6 -0.327563711003E+03 0.18671E-04 -0.21653E-05 2551 0.140E-02 2973 T= 5838. E= 0.67484453E+03 F= 0.62870528E+03 E0= 0.65742304E+03 EK= 0.47538E+02 SP= -.14E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326015646673E+03 0.15481E+01 -0.11982E-01 7808 0.229E+01 0.177E-01 RMM: 2 -0.326030729625E+03 -0.15083E-01 -0.10725E-01 4901 0.758E-01 0.895E-01 RMM: 3 -0.326024953904E+03 0.57757E-02 -0.12129E-02 5804 0.213E-01 0.151E-01 RMM: 4 -0.326024674356E+03 0.27955E-03 -0.64156E-04 4891 0.550E-02 0.960E-02 RMM: 5 -0.326024616090E+03 0.58266E-04 -0.81239E-05 3637 0.254E-02 0.610E-02 RMM: 6 -0.326024603478E+03 0.12611E-04 -0.21448E-05 2536 0.137E-02 2974 T= 5637. E= 0.67485126E+03 F= 0.63024439E+03 E0= 0.65893861E+03 EK= 0.45901E+02 SP= -.13E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324652486525E+03 0.13721E+01 -0.11318E-01 7936 0.225E+01 0.310E-01 RMM: 2 -0.324681181070E+03 -0.28695E-01 -0.10282E-01 5033 0.755E-01 0.172E+00 RMM: 3 -0.324660474381E+03 0.20707E-01 -0.14215E-02 5388 0.279E-01 0.295E-01 RMM: 4 -0.324659814021E+03 0.66036E-03 -0.15593E-03 4803 0.805E-02 0.791E-02 RMM: 5 -0.324659809323E+03 0.46974E-05 -0.17436E-04 4122 0.297E-02 2975 T= 5461. E= 0.67485754E+03 F= 0.63160918E+03 E0= 0.66027849E+03 EK= 0.44469E+02 SP= -.12E+01 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323528844089E+03 0.11310E+01 -0.10958E-01 8104 0.221E+01 0.196E-01 RMM: 2 -0.323544932582E+03 -0.16088E-01 -0.91988E-02 5224 0.672E-01 0.106E+00 RMM: 3 -0.323536558947E+03 0.83736E-02 -0.92498E-03 5432 0.210E-01 0.218E-01 RMM: 4 -0.323536228794E+03 0.33015E-03 -0.88052E-04 4784 0.606E-02 0.935E-02 RMM: 5 -0.323536183185E+03 0.45609E-04 -0.10143E-04 3794 0.264E-02 0.744E-02 RMM: 6 -0.323536154851E+03 0.28335E-04 -0.23376E-05 2567 0.143E-02 0.546E-02 RMM: 7 -0.323536177491E+03 -0.22641E-04 -0.56048E-05 3311 0.199E-02 0.899E-02 RMM: 8 -0.323536127942E+03 0.49549E-04 -0.10132E-04 3880 0.236E-02 0.277E-02 RMM: 9 -0.323536126904E+03 0.10382E-05 -0.12633E-05 2500 0.102E-02 2976 T= 5319. E= 0.67486289E+03 F= 0.63273286E+03 E0= 0.66137592E+03 EK= 0.43312E+02 SP= -.12E+01 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322702210488E+03 0.83392E+00 -0.10900E-01 7960 0.218E+01 0.220E-01 RMM: 2 -0.322716360107E+03 -0.14150E-01 -0.10498E-01 4838 0.746E-01 0.878E-01 RMM: 3 -0.322710835780E+03 0.55243E-02 -0.11915E-02 5837 0.208E-01 0.145E-01 RMM: 4 -0.322710861242E+03 -0.25463E-04 -0.88823E-04 4683 0.705E-02 0.225E-01 RMM: 5 -0.322710554200E+03 0.30704E-03 -0.19690E-04 3874 0.360E-02 0.917E-02 RMM: 6 -0.322710502773E+03 0.51426E-04 -0.51469E-05 3235 0.214E-02 0.325E-02 RMM: 7 -0.322710514569E+03 -0.11795E-04 -0.21689E-05 2544 0.141E-02 2977 T= 5218. E= 0.67486615E+03 F= 0.63355847E+03 E0= 0.66217565E+03 EK= 0.42490E+02 SP= -.12E+01 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322215177505E+03 0.49533E+00 -0.10461E-01 7992 0.216E+01 0.155E-01 RMM: 2 -0.322226897918E+03 -0.11720E-01 -0.96061E-02 5036 0.715E-01 0.679E-01 RMM: 3 -0.322223599954E+03 0.32980E-02 -0.10849E-02 6082 0.188E-01 0.155E-01 RMM: 4 -0.322223250737E+03 0.34922E-03 -0.47673E-04 4508 0.512E-02 0.764E-02 RMM: 5 -0.322223201912E+03 0.48824E-04 -0.62978E-05 3430 0.218E-02 0.528E-02 RMM: 6 -0.322223191875E+03 0.10037E-04 -0.20403E-05 2526 0.138E-02 2978 T= 5163. E= 0.67486820E+03 F= 0.63404580E+03 E0= 0.66263678E+03 EK= 0.42043E+02 SP= -.12E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322087812052E+03 0.13539E+00 -0.10299E-01 7856 0.216E+01 0.193E-01 RMM: 2 -0.322105510966E+03 -0.17699E-01 -0.10860E-01 4867 0.750E-01 0.107E+00 RMM: 3 -0.322097311691E+03 0.81993E-02 -0.12727E-02 5680 0.221E-01 0.189E-01 RMM: 4 -0.322096936582E+03 0.37511E-03 -0.83417E-04 4762 0.616E-02 0.849E-02 RMM: 5 -0.322096892455E+03 0.44128E-04 -0.10489E-04 3944 0.255E-02 0.642E-02 RMM: 6 -0.322096872975E+03 0.19480E-04 -0.22445E-05 2559 0.141E-02 2979 T= 5157. E= 0.67486855E+03 F= 0.63417212E+03 E0= 0.66273690E+03 EK= 0.41996E+02 SP= -.13E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322326096541E+03 -0.22920E+00 -0.98820E-02 7960 0.217E+01 0.348E-01 RMM: 2 -0.322363842784E+03 -0.37746E-01 -0.10945E-01 4927 0.798E-01 0.205E+00 RMM: 3 -0.322334566826E+03 0.29276E-01 -0.17283E-02 5380 0.310E-01 0.327E-01 RMM: 4 -0.322333751432E+03 0.81539E-03 -0.19782E-03 4941 0.882E-02 0.904E-02 RMM: 5 -0.322333720175E+03 0.31257E-04 -0.20404E-04 3978 0.323E-02 0.938E-02 RMM: 6 -0.322333663308E+03 0.56867E-04 -0.33385E-05 2826 0.174E-02 0.486E-02 RMM: 7 -0.322333667257E+03 -0.39481E-05 -0.23357E-05 2565 0.149E-02 2980 T= 5201. E= 0.67486705E+03 F= 0.63393532E+03 E0= 0.66247380E+03 EK= 0.42352E+02 SP= -.15E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322906658181E+03 -0.57299E+00 -0.10107E-01 7824 0.218E+01 0.258E-01 RMM: 2 -0.322928576305E+03 -0.21918E-01 -0.11033E-01 4784 0.778E-01 0.134E+00 RMM: 3 -0.322916039354E+03 0.12537E-01 -0.14398E-02 5419 0.265E-01 0.284E-01 RMM: 4 -0.322915519601E+03 0.51975E-03 -0.15802E-03 4838 0.843E-02 0.121E-01 RMM: 5 -0.322915526471E+03 -0.68708E-05 -0.22770E-04 3946 0.352E-02 0.129E-01 RMM: 6 -0.322915412951E+03 0.11352E-03 -0.62633E-05 3373 0.231E-02 0.324E-02 RMM: 7 -0.322915415197E+03 -0.22458E-05 -0.17152E-05 2518 0.127E-02 2981 T= 5292. E= 0.67486392E+03 F= 0.63335357E+03 E0= 0.66186659E+03 EK= 0.43093E+02 SP= -.17E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323792050497E+03 -0.87664E+00 -0.97932E-02 7624 0.221E+01 0.244E-01 RMM: 2 -0.323815739846E+03 -0.23689E-01 -0.11364E-01 4872 0.802E-01 0.142E+00 RMM: 3 -0.323801692629E+03 0.14047E-01 -0.14257E-02 5559 0.246E-01 0.205E-01 RMM: 4 -0.323801303025E+03 0.38960E-03 -0.11271E-03 4833 0.688E-02 0.941E-02 RMM: 5 -0.323801252709E+03 0.50316E-04 -0.14482E-04 3961 0.290E-02 0.753E-02 RMM: 6 -0.323801217067E+03 0.35642E-04 -0.27299E-05 2667 0.156E-02 0.426E-02 RMM: 7 -0.323801215525E+03 0.15424E-05 -0.19510E-05 2529 0.136E-02 2982 T= 5425. E= 0.67485911E+03 F= 0.63246777E+03 E0= 0.66095715E+03 EK= 0.44178E+02 SP= -.19E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324916699640E+03 -0.11155E+01 -0.96894E-02 7688 0.225E+01 0.166E-01 RMM: 2 -0.324930447517E+03 -0.13748E-01 -0.10396E-01 4874 0.754E-01 0.801E-01 RMM: 3 -0.324925878508E+03 0.45690E-02 -0.12090E-02 5886 0.199E-01 0.150E-01 RMM: 4 -0.324925569632E+03 0.30888E-03 -0.63353E-04 4628 0.576E-02 0.914E-02 RMM: 5 -0.324925519911E+03 0.49721E-04 -0.91270E-05 3628 0.260E-02 0.594E-02 RMM: 6 -0.324925499933E+03 0.19978E-04 -0.22206E-05 2548 0.142E-02 2983 T= 5592. E= 0.67485242E+03 F= 0.63134349E+03 E0= 0.65981118E+03 EK= 0.45540E+02 SP= -.22E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326193172546E+03 -0.12677E+01 -0.94921E-02 7536 0.229E+01 0.170E-01 RMM: 2 -0.326205990684E+03 -0.12818E-01 -0.92574E-02 4875 0.720E-01 0.830E-01 RMM: 3 -0.326201233373E+03 0.47573E-02 -0.11014E-02 5835 0.197E-01 0.145E-01 RMM: 4 -0.326200954272E+03 0.27910E-03 -0.58490E-04 4727 0.533E-02 0.913E-02 RMM: 5 -0.326200895702E+03 0.58570E-04 -0.81952E-05 3602 0.252E-02 0.596E-02 RMM: 6 -0.326200878349E+03 0.17353E-04 -0.20859E-05 2532 0.134E-02 2984 T= 5783. E= 0.67484493E+03 F= 0.63006811E+03 E0= 0.65851683E+03 EK= 0.47091E+02 SP= -.25E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327521383143E+03 -0.13205E+01 -0.98269E-02 7520 0.233E+01 0.275E-01 RMM: 2 -0.327545869558E+03 -0.24486E-01 -0.96325E-02 4853 0.761E-01 0.157E+00 RMM: 3 -0.327529019352E+03 0.16850E-01 -0.13165E-02 5403 0.264E-01 0.234E-01 RMM: 4 -0.327528618862E+03 0.40049E-03 -0.13367E-03 4806 0.712E-02 0.864E-02 RMM: 5 -0.327528587373E+03 0.31489E-04 -0.14932E-04 3903 0.311E-02 0.780E-02 RMM: 6 -0.327528545986E+03 0.41388E-04 -0.28956E-05 2612 0.160E-02 0.426E-02 RMM: 7 -0.327528548306E+03 -0.23199E-05 -0.23782E-05 2536 0.154E-02 2985 T= 5984. E= 0.67483823E+03 F= 0.62874044E+03 E0= 0.65717423E+03 EK= 0.48730E+02 SP= -.29E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328808113076E+03 -0.12796E+01 -0.10310E-01 7552 0.238E+01 0.215E-01 RMM: 2 -0.328824938082E+03 -0.16825E-01 -0.10418E-01 4825 0.770E-01 0.106E+00 RMM: 3 -0.328816976842E+03 0.79612E-02 -0.12796E-02 5534 0.235E-01 0.219E-01 RMM: 4 -0.328816663242E+03 0.31360E-03 -0.11007E-03 4758 0.717E-02 0.124E-01 RMM: 5 -0.328816605811E+03 0.57431E-04 -0.16629E-04 3867 0.327E-02 0.994E-02 RMM: 6 -0.328816539636E+03 0.66175E-04 -0.41368E-05 3054 0.192E-02 0.358E-02 RMM: 7 -0.328816543216E+03 -0.35792E-05 -0.21890E-05 2524 0.147E-02 2986 T= 6184. E= 0.67483260E+03 F= 0.62745245E+03 E0= 0.65587558E+03 EK= 0.50359E+02 SP= -.33E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329984802604E+03 -0.11683E+01 -0.10680E-01 7608 0.241E+01 0.192E-01 RMM: 2 -0.330000889579E+03 -0.16087E-01 -0.10697E-01 4873 0.760E-01 0.997E-01 RMM: 3 -0.329993916000E+03 0.69736E-02 -0.12305E-02 5753 0.216E-01 0.147E-01 RMM: 4 -0.329993673784E+03 0.24222E-03 -0.73577E-04 4813 0.582E-02 0.105E-01 RMM: 5 -0.329993600250E+03 0.73534E-04 -0.99420E-05 3710 0.269E-02 0.630E-02 RMM: 6 -0.329993580128E+03 0.20122E-04 -0.22983E-05 2554 0.141E-02 0.459E-02 RMM: 7 -0.329993575093E+03 0.50354E-05 -0.21306E-05 2558 0.141E-02 2987 T= 6374. E= 0.67482973E+03 F= 0.62627541E+03 E0= 0.65469102E+03 EK= 0.51902E+02 SP= -.36E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331012847505E+03 -0.10193E+01 -0.11469E-01 7856 0.244E+01 0.152E-01 RMM: 2 -0.331025854775E+03 -0.13007E-01 -0.11302E-01 4819 0.774E-01 0.633E-01 RMM: 3 -0.331022884762E+03 0.29700E-02 -0.13338E-02 6120 0.205E-01 0.127E-01 RMM: 4 -0.331022591394E+03 0.29337E-03 -0.54480E-04 4686 0.543E-02 0.103E-01 RMM: 5 -0.331022515777E+03 0.75618E-04 -0.76852E-05 3478 0.260E-02 0.552E-02 RMM: 6 -0.331022505276E+03 0.10500E-04 -0.22448E-05 2541 0.141E-02 2988 T= 6547. E= 0.67482903E+03 F= 0.62524648E+03 E0= 0.65365871E+03 EK= 0.53315E+02 SP= -.40E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331879370062E+03 -0.85685E+00 -0.13395E-01 7616 0.246E+01 0.170E-01 RMM: 2 -0.331900600456E+03 -0.21230E-01 -0.18206E-01 4694 0.988E-01 0.783E-01 RMM: 3 -0.331895827790E+03 0.47727E-02 -0.21261E-02 6009 0.252E-01 0.159E-01 RMM: 4 -0.331895300355E+03 0.52744E-03 -0.89337E-04 5149 0.680E-02 0.888E-02 RMM: 5 -0.331895246548E+03 0.53807E-04 -0.10426E-04 3962 0.266E-02 0.611E-02 RMM: 6 -0.331895232438E+03 0.14111E-04 -0.22205E-05 2543 0.143E-02 2989 T= 6703. E= 0.67482976E+03 F= 0.62437376E+03 E0= 0.65278633E+03 EK= 0.54582E+02 SP= -.44E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332611881109E+03 -0.71663E+00 -0.12482E-01 7616 0.247E+01 0.264E-01 RMM: 2 -0.332636508919E+03 -0.24628E-01 -0.12229E-01 4874 0.833E-01 0.143E+00 RMM: 3 -0.332622203271E+03 0.14306E-01 -0.15165E-02 5448 0.267E-01 0.274E-01 RMM: 4 -0.332621621225E+03 0.58205E-03 -0.14113E-03 4903 0.778E-02 0.813E-02 RMM: 5 -0.332621591311E+03 0.29914E-04 -0.16712E-04 4488 0.283E-02 0.794E-02 RMM: 6 -0.332621559095E+03 0.32216E-04 -0.24620E-05 2585 0.151E-02 0.513E-02 RMM: 7 -0.332621567380E+03 -0.82856E-05 -0.24186E-05 2594 0.149E-02 2990 T= 6840. E= 0.67483046E+03 F= 0.62364742E+03 E0= 0.65206389E+03 EK= 0.55702E+02 SP= -.48E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333194932725E+03 -0.57337E+00 -0.15477E-01 7680 0.248E+01 0.260E-01 RMM: 2 -0.333228366221E+03 -0.33433E-01 -0.21961E-01 4677 0.110E+00 0.138E+00 RMM: 3 -0.333214127248E+03 0.14239E-01 -0.24671E-02 5669 0.306E-01 0.268E-01 RMM: 4 -0.333213410492E+03 0.71676E-03 -0.17844E-03 5133 0.920E-02 0.113E-01 RMM: 5 -0.333213427964E+03 -0.17472E-04 -0.25270E-04 3947 0.363E-02 0.125E-01 RMM: 6 -0.333213318780E+03 0.10918E-03 -0.61422E-05 3353 0.220E-02 0.307E-02 RMM: 7 -0.333213321157E+03 -0.23772E-05 -0.17716E-05 2526 0.126E-02 2991 T= 6960. E= 0.67483063E+03 F= 0.62305567E+03 E0= 0.65147951E+03 EK= 0.56681E+02 SP= -.52E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333660973555E+03 -0.44765E+00 -0.12677E-01 7824 0.249E+01 0.186E-01 RMM: 2 -0.333679620747E+03 -0.18647E-01 -0.14140E-01 4878 0.842E-01 0.912E-01 RMM: 3 -0.333673305649E+03 0.63151E-02 -0.15061E-02 5734 0.238E-01 0.166E-01 RMM: 4 -0.333673010203E+03 0.29545E-03 -0.84934E-04 4888 0.627E-02 0.111E-01 RMM: 5 -0.333672919359E+03 0.90844E-04 -0.11194E-04 3814 0.277E-02 0.687E-02 RMM: 6 -0.333672895582E+03 0.23777E-04 -0.25454E-05 2562 0.150E-02 0.491E-02 RMM: 7 -0.333672887340E+03 0.82423E-05 -0.25559E-05 2603 0.150E-02 2992 T= 7063. E= 0.67483028E+03 F= 0.62259610E+03 E0= 0.65103028E+03 EK= 0.57514E+02 SP= -.55E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333984160729E+03 -0.31127E+00 -0.12766E-01 8032 0.250E+01 0.167E-01 RMM: 2 -0.334001045391E+03 -0.16885E-01 -0.13828E-01 4995 0.823E-01 0.777E-01 RMM: 3 -0.333996296466E+03 0.47489E-02 -0.14099E-02 5985 0.224E-01 0.170E-01 RMM: 4 -0.333995928413E+03 0.36805E-03 -0.68883E-04 4723 0.595E-02 0.929E-02 RMM: 5 -0.333995875999E+03 0.52414E-04 -0.95468E-05 3620 0.273E-02 0.674E-02 RMM: 6 -0.333995858283E+03 0.17716E-04 -0.24437E-05 2565 0.147E-02 2993 T= 7146. E= 0.67482951E+03 F= 0.62227313E+03 E0= 0.65071979E+03 EK= 0.58192E+02 SP= -.58E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334162502962E+03 -0.16663E+00 -0.14036E-01 8312 0.251E+01 0.211E-01 RMM: 2 -0.334186606277E+03 -0.24103E-01 -0.16248E-01 5091 0.880E-01 0.115E+00 RMM: 3 -0.334176584485E+03 0.10022E-01 -0.16304E-02 5656 0.250E-01 0.212E-01 RMM: 4 -0.334176155540E+03 0.42895E-03 -0.10700E-03 4911 0.690E-02 0.109E-01 RMM: 5 -0.334176078582E+03 0.76958E-04 -0.13089E-04 4069 0.282E-02 0.784E-02 RMM: 6 -0.334176060264E+03 0.18318E-04 -0.23707E-05 2559 0.142E-02 2994 T= 7209. E= 0.67482986E+03 F= 0.62209293E+03 E0= 0.65055335E+03 EK= 0.58705E+02 SP= -.61E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334205349192E+03 -0.29271E-01 -0.13948E-01 8336 0.251E+01 0.333E-01 RMM: 2 -0.334242905706E+03 -0.37557E-01 -0.15389E-01 5028 0.889E-01 0.188E+00 RMM: 3 -0.334217924252E+03 0.24981E-01 -0.19054E-02 5404 0.314E-01 0.361E-01 RMM: 4 -0.334216978559E+03 0.94569E-03 -0.20967E-03 4905 0.937E-02 0.978E-02 RMM: 5 -0.334216937207E+03 0.41352E-04 -0.25073E-04 4485 0.330E-02 0.933E-02 RMM: 6 -0.334216898175E+03 0.39033E-04 -0.32424E-05 2710 0.173E-02 0.682E-02 RMM: 7 -0.334216926915E+03 -0.28740E-04 -0.61326E-05 3323 0.209E-02 0.104E-01 RMM: 8 -0.334216853635E+03 0.73279E-04 -0.72759E-05 3696 0.201E-02 0.311E-02 RMM: 9 -0.334216863869E+03 -0.10234E-04 -0.25403E-05 2611 0.142E-02 2995 T= 7251. E= 0.67483108E+03 F= 0.62205213E+03 E0= 0.65052841E+03 EK= 0.59051E+02 SP= -.64E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334122768725E+03 0.94085E-01 -0.14752E-01 8408 0.252E+01 0.273E-01 RMM: 2 -0.334149011314E+03 -0.26243E-01 -0.17209E-01 4973 0.892E-01 0.123E+00 RMM: 3 -0.334137060865E+03 0.11950E-01 -0.17134E-02 5500 0.276E-01 0.247E-01 RMM: 4 -0.334136987903E+03 0.72963E-04 -0.19227E-03 5152 0.983E-02 0.256E-01 RMM: 5 -0.334136615922E+03 0.37198E-03 -0.38641E-04 4065 0.498E-02 0.121E-01 RMM: 6 -0.334136522873E+03 0.93049E-04 -0.81439E-05 3593 0.248E-02 0.439E-02 RMM: 7 -0.334136546467E+03 -0.23594E-04 -0.37963E-05 2984 0.177E-02 0.744E-02 RMM: 8 -0.334136514461E+03 0.32006E-04 -0.26503E-05 2635 0.166E-02 0.236E-02 RMM: 9 -0.334136516529E+03 -0.20682E-05 -0.10226E-05 2472 0.914E-03 2996 T= 7275. E= 0.67483317E+03 F= 0.62213247E+03 E0= 0.65062253E+03 EK= 0.59247E+02 SP= -.67E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333949668435E+03 0.18685E+00 -0.15773E-01 8392 0.251E+01 0.186E-01 RMM: 2 -0.333972041983E+03 -0.22374E-01 -0.18417E-01 4972 0.940E-01 0.883E-01 RMM: 3 -0.333965859213E+03 0.61828E-02 -0.18978E-02 6228 0.248E-01 0.183E-01 RMM: 4 -0.333965307296E+03 0.55192E-03 -0.80150E-04 4778 0.657E-02 0.969E-02 RMM: 5 -0.333965240179E+03 0.67116E-04 -0.11173E-04 3784 0.280E-02 0.719E-02 RMM: 6 -0.333965218817E+03 0.21363E-04 -0.26675E-05 2569 0.154E-02 0.551E-02 RMM: 7 -0.333965213874E+03 0.49430E-05 -0.31630E-05 2638 0.163E-02 2997 T= 7284. E= 0.67483547E+03 F= 0.62230378E+03 E0= 0.65080504E+03 EK= 0.59319E+02 SP= -.69E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333721639966E+03 0.24358E+00 -0.16642E-01 8400 0.251E+01 0.190E-01 RMM: 2 -0.333744174152E+03 -0.22534E-01 -0.18372E-01 4941 0.948E-01 0.914E-01 RMM: 3 -0.333737832978E+03 0.63412E-02 -0.18848E-02 6195 0.250E-01 0.178E-01 RMM: 4 -0.333737305569E+03 0.52741E-03 -0.79364E-04 4796 0.648E-02 0.924E-02 RMM: 5 -0.333737256233E+03 0.49336E-04 -0.10740E-04 3969 0.271E-02 0.709E-02 RMM: 6 -0.333737236841E+03 0.19392E-04 -0.23761E-05 2550 0.146E-02 2998 T= 7282. E= 0.67483733E+03 F= 0.62253175E+03 E0= 0.65104168E+03 EK= 0.59300E+02 SP= -.71E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333466533957E+03 0.27072E+00 -0.16911E-01 8472 0.251E+01 0.238E-01 RMM: 2 -0.333493118433E+03 -0.26584E-01 -0.17984E-01 4996 0.928E-01 0.122E+00 RMM: 3 -0.333481985931E+03 0.11133E-01 -0.18451E-02 5655 0.278E-01 0.214E-01 RMM: 4 -0.333481556722E+03 0.42921E-03 -0.13189E-03 5270 0.708E-02 0.106E-01 RMM: 5 -0.333481480057E+03 0.76665E-04 -0.13477E-04 3903 0.304E-02 0.771E-02 RMM: 6 -0.333481454587E+03 0.25470E-04 -0.28212E-05 2602 0.156E-02 0.613E-02 RMM: 7 -0.333481463544E+03 -0.89567E-05 -0.42370E-05 3003 0.189E-02 2999 T= 7272. E= 0.67483848E+03 F= 0.62278753E+03 E0= 0.65130122E+03 EK= 0.59219E+02 SP= -.72E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333199922879E+03 0.28153E+00 -0.17036E-01 8416 0.250E+01 0.262E-01 RMM: 2 -0.333225559880E+03 -0.25637E-01 -0.17191E-01 4951 0.925E-01 0.124E+00 RMM: 3 -0.333214448430E+03 0.11111E-01 -0.18210E-02 5738 0.271E-01 0.229E-01 RMM: 4 -0.333214011253E+03 0.43718E-03 -0.13680E-03 4801 0.800E-02 0.152E-01 RMM: 5 -0.333213970845E+03 0.40408E-04 -0.22370E-04 3899 0.379E-02 0.127E-01 RMM: 6 -0.333213865540E+03 0.10531E-03 -0.68634E-05 3431 0.239E-02 0.366E-02 RMM: 7 -0.333213875145E+03 -0.96054E-05 -0.21359E-05 2559 0.141E-02 3000 T= 7256. E= 0.67483889E+03 F= 0.62305511E+03 E0= 0.65156772E+03 EK= 0.59093E+02 SP= -.73E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332920033495E+03 0.29383E+00 -0.16508E-01 8272 0.250E+01 0.237E-01 RMM: 2 -0.332945670640E+03 -0.25637E-01 -0.16745E-01 5022 0.900E-01 0.125E+00 RMM: 3 -0.332934220663E+03 0.11450E-01 -0.16830E-02 5816 0.258E-01 0.223E-01 RMM: 4 -0.332933720149E+03 0.50051E-03 -0.11050E-03 4821 0.715E-02 0.100E-01 RMM: 5 -0.332933665918E+03 0.54231E-04 -0.15754E-04 3923 0.313E-02 0.830E-02 RMM: 6 -0.332933623875E+03 0.42042E-04 -0.37883E-05 2967 0.183E-02 0.430E-02 RMM: 7 -0.332933628358E+03 -0.44828E-05 -0.23490E-05 2558 0.144E-02 3001 T= 7235. E= 0.67483836E+03 F= 0.62333536E+03 E0= 0.65184071E+03 EK= 0.58920E+02 SP= -.74E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332611742739E+03 0.32188E+00 -0.15341E-01 8256 0.250E+01 0.181E-01 RMM: 2 -0.332630588930E+03 -0.18846E-01 -0.15791E-01 4917 0.893E-01 0.795E-01 RMM: 3 -0.332625685430E+03 0.49035E-02 -0.16961E-02 6093 0.240E-01 0.159E-01 RMM: 4 -0.332625286370E+03 0.39906E-03 -0.75957E-04 4876 0.613E-02 0.958E-02 RMM: 5 -0.332625241483E+03 0.44887E-04 -0.10908E-04 3774 0.280E-02 0.748E-02 RMM: 6 -0.332625209730E+03 0.31753E-04 -0.28504E-05 2609 0.164E-02 0.389E-02 RMM: 7 -0.332625214609E+03 -0.48785E-05 -0.21234E-05 2537 0.139E-02 3002 T= 7207. E= 0.67483658E+03 F= 0.62364377E+03 E0= 0.65213751E+03 EK= 0.58686E+02 SP= -.75E+01 SK= 0.61E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332247415483E+03 0.37779E+00 -0.15424E-01 7768 0.251E+01 0.180E-01 RMM: 2 -0.332267171903E+03 -0.19756E-01 -0.16872E-01 4814 0.935E-01 0.779E-01 RMM: 3 -0.332262503968E+03 0.46679E-02 -0.18995E-02 6136 0.246E-01 0.151E-01 RMM: 4 -0.332262070370E+03 0.43360E-03 -0.80609E-04 4771 0.672E-02 0.117E-01 RMM: 5 -0.332261989539E+03 0.80831E-04 -0.12171E-04 3744 0.301E-02 0.734E-02 RMM: 6 -0.332261958194E+03 0.31345E-04 -0.32524E-05 2798 0.173E-02 0.375E-02 RMM: 7 -0.332261960749E+03 -0.25544E-05 -0.20737E-05 2525 0.139E-02 3003 T= 7167. E= 0.67483504E+03 F= 0.62400703E+03 E0= 0.65248552E+03 EK= 0.58367E+02 SP= -.75E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331806874606E+03 0.45508E+00 -0.14823E-01 7880 0.250E+01 0.169E-01 RMM: 2 -0.331823273955E+03 -0.16399E-01 -0.14295E-01 4868 0.864E-01 0.694E-01 RMM: 3 -0.331819390710E+03 0.38832E-02 -0.15769E-02 6071 0.230E-01 0.122E-01 RMM: 4 -0.331819103706E+03 0.28700E-03 -0.64856E-04 4821 0.584E-02 0.117E-01 RMM: 5 -0.331819018073E+03 0.85634E-04 -0.94118E-05 3613 0.280E-02 0.653E-02 RMM: 6 -0.331818996346E+03 0.21727E-04 -0.28377E-05 2581 0.160E-02 0.414E-02 RMM: 7 -0.331818992780E+03 0.35658E-05 -0.30772E-05 2614 0.164E-02 3004 T= 7115. E= 0.67483411E+03 F= 0.62445000E+03 E0= 0.65291153E+03 EK= 0.57941E+02 SP= -.76E+01 SK= 0.37E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.331271457611E+03 0.54754E+00 -0.14250E-01 7736 0.250E+01 0.156E-01 RMM: 2 -0.331285840993E+03 -0.14383E-01 -0.12624E-01 4840 0.822E-01 0.654E-01 RMM: 3 -0.331282607770E+03 0.32332E-02 -0.13923E-02 6089 0.214E-01 0.136E-01 RMM: 4 -0.331282326178E+03 0.28159E-03 -0.60780E-04 4663 0.607E-02 0.110E-01 RMM: 5 -0.331282244525E+03 0.81653E-04 -0.90753E-05 3528 0.272E-02 0.618E-02 RMM: 6 -0.331282225943E+03 0.18582E-04 -0.25201E-05 2568 0.153E-02 3005 T= 7048. E= 0.67483455E+03 F= 0.62498676E+03 E0= 0.65343191E+03 EK= 0.57397E+02 SP= -.75E+01 SK= 0.65E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330643527112E+03 0.63872E+00 -0.13380E-01 7728 0.249E+01 0.195E-01 RMM: 2 -0.330659651528E+03 -0.16124E-01 -0.10768E-01 4971 0.760E-01 0.988E-01 RMM: 3 -0.330652725045E+03 0.69265E-02 -0.11810E-02 5595 0.221E-01 0.175E-01 RMM: 4 -0.330652460243E+03 0.26480E-03 -0.76087E-04 4818 0.582E-02 0.844E-02 RMM: 5 -0.330652409842E+03 0.50402E-04 -0.91179E-05 3797 0.251E-02 0.636E-02 RMM: 6 -0.330652392013E+03 0.17829E-04 -0.24527E-05 2563 0.149E-02 3006 T= 6967. E= 0.67483716E+03 F= 0.62561660E+03 E0= 0.65404711E+03 EK= 0.56739E+02 SP= -.75E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329943611386E+03 0.70880E+00 -0.12838E-01 7328 0.247E+01 0.294E-01 RMM: 2 -0.329971428621E+03 -0.27817E-01 -0.10220E-01 4919 0.778E-01 0.167E+00 RMM: 3 -0.329951808198E+03 0.19620E-01 -0.14597E-02 5362 0.282E-01 0.284E-01 RMM: 4 -0.329951228040E+03 0.58016E-03 -0.15064E-03 4846 0.796E-02 0.792E-02 RMM: 5 -0.329951215790E+03 0.12250E-04 -0.16652E-04 4065 0.300E-02 3007 T= 6876. E= 0.67484200E+03 F= 0.62631777E+03 E0= 0.65473675E+03 EK= 0.55993E+02 SP= -.75E+01 SK= 0.58E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329209365399E+03 0.74186E+00 -0.12546E-01 7608 0.246E+01 0.233E-01 RMM: 2 -0.329231967608E+03 -0.22602E-01 -0.10353E-01 4941 0.753E-01 0.140E+00 RMM: 3 -0.329218169059E+03 0.13799E-01 -0.12616E-02 5393 0.250E-01 0.247E-01 RMM: 4 -0.329217739356E+03 0.42970E-03 -0.11575E-03 4761 0.703E-02 0.878E-02 RMM: 5 -0.329217704012E+03 0.35343E-04 -0.13425E-04 4112 0.283E-02 0.804E-02 RMM: 6 -0.329217667491E+03 0.36521E-04 -0.26568E-05 2581 0.152E-02 0.526E-02 RMM: 7 -0.329217681545E+03 -0.14054E-04 -0.41242E-05 3031 0.181E-02 3008 T= 6779. E= 0.67484759E+03 F= 0.62705131E+03 E0= 0.65546138E+03 EK= 0.55202E+02 SP= -.74E+01 SK= 0.88E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328497212586E+03 0.72045E+00 -0.12443E-01 7440 0.244E+01 0.222E-01 RMM: 2 -0.328511281302E+03 -0.14069E-01 -0.97428E-02 4802 0.746E-01 0.929E-01 RMM: 3 -0.328505191509E+03 0.60898E-02 -0.11459E-02 5558 0.218E-01 0.185E-01 RMM: 4 -0.328505042858E+03 0.14865E-03 -0.93775E-04 4710 0.701E-02 0.164E-01 RMM: 5 -0.328504932162E+03 0.11070E-03 -0.17451E-04 3862 0.342E-02 0.107E-01 RMM: 6 -0.328504857747E+03 0.74415E-04 -0.50375E-05 3221 0.215E-02 0.255E-02 RMM: 7 -0.328504863082E+03 -0.53350E-05 -0.16081E-05 2504 0.125E-02 3009 T= 6683. E= 0.67485300E+03 F= 0.62776413E+03 E0= 0.65616731E+03 EK= 0.54420E+02 SP= -.73E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327864644366E+03 0.64021E+00 -0.12804E-01 7608 0.242E+01 0.177E-01 RMM: 2 -0.327880686614E+03 -0.16042E-01 -0.12413E-01 4828 0.833E-01 0.856E-01 RMM: 3 -0.327875505821E+03 0.51808E-02 -0.14192E-02 5827 0.219E-01 0.148E-01 RMM: 4 -0.327875192428E+03 0.31339E-03 -0.69217E-04 4810 0.612E-02 0.950E-02 RMM: 5 -0.327875117396E+03 0.75032E-04 -0.10036E-04 3838 0.267E-02 0.599E-02 RMM: 6 -0.327875098724E+03 0.18672E-04 -0.24596E-05 2549 0.144E-02 3010 T= 6596. E= 0.67485874E+03 F= 0.62839389E+03 E0= 0.65679135E+03 EK= 0.53716E+02 SP= -.73E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327380018474E+03 0.49510E+00 -0.13418E-01 7528 0.240E+01 0.210E-01 RMM: 2 -0.327400187699E+03 -0.20169E-01 -0.13823E-01 4710 0.887E-01 0.107E+00 RMM: 3 -0.327392106279E+03 0.80814E-02 -0.16557E-02 5649 0.252E-01 0.181E-01 RMM: 4 -0.327391736327E+03 0.36995E-03 -0.98585E-04 5063 0.646E-02 0.836E-02 RMM: 5 -0.327391697886E+03 0.38441E-04 -0.12574E-04 3951 0.305E-02 0.733E-02 RMM: 6 -0.327391667526E+03 0.30360E-04 -0.33294E-05 2736 0.169E-02 0.541E-02 RMM: 7 -0.327391697867E+03 -0.30342E-04 -0.55492E-05 3321 0.205E-02 0.933E-02 RMM: 8 -0.327391636112E+03 0.61755E-04 -0.63554E-05 3633 0.196E-02 0.265E-02 RMM: 9 -0.327391635478E+03 0.63473E-06 -0.11959E-05 2484 0.999E-03 3011 T= 6527. E= 0.67486333E+03 F= 0.62887735E+03 E0= 0.65726966E+03 EK= 0.53155E+02 SP= -.72E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327103908382E+03 0.28773E+00 -0.12527E-01 7448 0.240E+01 0.274E-01 RMM: 2 -0.327122405594E+03 -0.18497E-01 -0.10625E-01 4833 0.798E-01 0.122E+00 RMM: 3 -0.327112046790E+03 0.10359E-01 -0.12726E-02 5469 0.244E-01 0.220E-01 RMM: 4 -0.327111889540E+03 0.15725E-03 -0.14305E-03 4869 0.867E-02 0.194E-01 RMM: 5 -0.327111735660E+03 0.15388E-03 -0.24891E-04 3889 0.396E-02 0.133E-01 RMM: 6 -0.327111614224E+03 0.12144E-03 -0.67661E-05 3436 0.241E-02 0.266E-02 RMM: 7 -0.327111621666E+03 -0.74420E-05 -0.21763E-05 2547 0.139E-02 3012 T= 6483. E= 0.67486666E+03 F= 0.62915737E+03 E0= 0.65754416E+03 EK= 0.52795E+02 SP= -.71E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327070089587E+03 0.41525E-01 -0.11764E-01 7568 0.239E+01 0.183E-01 RMM: 2 -0.327082402649E+03 -0.12313E-01 -0.86147E-02 5053 0.715E-01 0.865E-01 RMM: 3 -0.327077388929E+03 0.50137E-02 -0.96362E-03 5719 0.195E-01 0.169E-01 RMM: 4 -0.327077119704E+03 0.26923E-03 -0.59747E-04 4731 0.540E-02 0.814E-02 RMM: 5 -0.327077072496E+03 0.47208E-04 -0.85704E-05 3749 0.237E-02 0.631E-02 RMM: 6 -0.327077053630E+03 0.18866E-04 -0.22145E-05 2549 0.141E-02 3013 T= 6469. E= 0.67486924E+03 F= 0.62919194E+03 E0= 0.65757412E+03 EK= 0.52681E+02 SP= -.70E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327305114323E+03 -0.22804E+00 -0.11516E-01 7528 0.239E+01 0.252E-01 RMM: 2 -0.327325609340E+03 -0.20495E-01 -0.86893E-02 5031 0.723E-01 0.141E+00 RMM: 3 -0.327311977892E+03 0.13631E-01 -0.11182E-02 5411 0.243E-01 0.203E-01 RMM: 4 -0.327311711609E+03 0.26628E-03 -0.10993E-03 5051 0.612E-02 0.837E-02 RMM: 5 -0.327311655805E+03 0.55804E-04 -0.99065E-05 3759 0.279E-02 0.711E-02 RMM: 6 -0.327311631640E+03 0.24165E-04 -0.26900E-05 2592 0.152E-02 0.553E-02 RMM: 7 -0.327311638452E+03 -0.68125E-05 -0.34380E-05 2791 0.176E-02 3014 T= 6488. E= 0.67486898E+03 F= 0.62895735E+03 E0= 0.65733681E+03 EK= 0.52834E+02 SP= -.69E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327805959505E+03 -0.49433E+00 -0.11364E-01 7520 0.240E+01 0.260E-01 RMM: 2 -0.327823114403E+03 -0.17155E-01 -0.89691E-02 5035 0.740E-01 0.122E+00 RMM: 3 -0.327813051535E+03 0.10063E-01 -0.10978E-02 5439 0.234E-01 0.269E-01 RMM: 4 -0.327812579877E+03 0.47166E-03 -0.12268E-03 4690 0.766E-02 0.113E-01 RMM: 5 -0.327812560533E+03 0.19344E-04 -0.18794E-04 3863 0.348E-02 3015 T= 6539. E= 0.67486732E+03 F= 0.62845643E+03 E0= 0.65683670E+03 EK= 0.53252E+02 SP= -.69E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328536298621E+03 -0.72372E+00 -0.11441E-01 7464 0.242E+01 0.195E-01 RMM: 2 -0.328552348789E+03 -0.16050E-01 -0.98733E-02 5127 0.753E-01 0.106E+00 RMM: 3 -0.328544689852E+03 0.76589E-02 -0.10800E-02 5652 0.206E-01 0.173E-01 RMM: 4 -0.328544403085E+03 0.28677E-03 -0.68282E-04 4855 0.554E-02 0.854E-02 RMM: 5 -0.328544336621E+03 0.66464E-04 -0.93696E-05 3862 0.250E-02 0.695E-02 RMM: 6 -0.328544317667E+03 0.18955E-04 -0.26877E-05 2573 0.151E-02 3016 T= 6618. E= 0.67486368E+03 F= 0.62772467E+03 E0= 0.65610972E+03 EK= 0.53897E+02 SP= -.68E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329430273291E+03 -0.88594E+00 -0.11555E-01 7344 0.245E+01 0.245E-01 RMM: 2 -0.329452184488E+03 -0.21911E-01 -0.93449E-02 4954 0.736E-01 0.144E+00 RMM: 3 -0.329437833591E+03 0.14351E-01 -0.11861E-02 5408 0.245E-01 0.206E-01 RMM: 4 -0.329437547441E+03 0.28615E-03 -0.11142E-03 4957 0.633E-02 0.752E-02 RMM: 5 -0.329437507218E+03 0.40223E-04 -0.11151E-04 3816 0.283E-02 0.670E-02 RMM: 6 -0.329437483677E+03 0.23541E-04 -0.25787E-05 2587 0.149E-02 0.455E-02 RMM: 7 -0.329437494071E+03 -0.10393E-04 -0.29074E-05 2615 0.168E-02 3017 T= 6716. E= 0.67485671E+03 F= 0.62683150E+03 E0= 0.65522760E+03 EK= 0.54694E+02 SP= -.67E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330386639569E+03 -0.94916E+00 -0.11857E-01 7488 0.248E+01 0.350E-01 RMM: 2 -0.330416482856E+03 -0.29843E-01 -0.11929E-01 4897 0.876E-01 0.175E+00 RMM: 3 -0.330395706813E+03 0.20776E-01 -0.17167E-02 5383 0.307E-01 0.336E-01 RMM: 4 -0.330394940225E+03 0.76659E-03 -0.19694E-03 5011 0.929E-02 0.121E-01 RMM: 5 -0.330394964654E+03 -0.24430E-04 -0.28871E-04 3897 0.400E-02 0.147E-01 RMM: 6 -0.330394816634E+03 0.14802E-03 -0.84646E-05 3587 0.263E-02 0.354E-02 RMM: 7 -0.330394813291E+03 0.33431E-05 -0.19441E-05 2539 0.129E-02 3018 T= 6821. E= 0.67484851E+03 F= 0.62587418E+03 E0= 0.65428707E+03 EK= 0.55544E+02 SP= -.66E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331290180027E+03 -0.89536E+00 -0.12282E-01 7528 0.250E+01 0.198E-01 RMM: 2 -0.331307288398E+03 -0.17108E-01 -0.11339E-01 4824 0.823E-01 0.103E+00 RMM: 3 -0.331300136993E+03 0.71514E-02 -0.13799E-02 5655 0.235E-01 0.185E-01 RMM: 4 -0.331299797787E+03 0.33921E-03 -0.86409E-04 4859 0.622E-02 0.858E-02 RMM: 5 -0.331299750289E+03 0.47498E-04 -0.12256E-04 3854 0.295E-02 0.709E-02 RMM: 6 -0.331299719519E+03 0.30769E-04 -0.28031E-05 2595 0.156E-02 0.439E-02 RMM: 7 -0.331299717097E+03 0.24222E-05 -0.23850E-05 2527 0.150E-02 3019 T= 6917. E= 0.67484006E+03 F= 0.62496927E+03 E0= 0.65340448E+03 EK= 0.56327E+02 SP= -.65E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332020042807E+03 -0.72032E+00 -0.12096E-01 7624 0.252E+01 0.201E-01 RMM: 2 -0.332035481748E+03 -0.15439E-01 -0.11105E-01 4721 0.831E-01 0.918E-01 RMM: 3 -0.332029761740E+03 0.57200E-02 -0.13938E-02 5742 0.234E-01 0.196E-01 RMM: 4 -0.332029373442E+03 0.38830E-03 -0.84978E-04 4779 0.654E-02 0.846E-02 RMM: 5 -0.332029337036E+03 0.36406E-04 -0.12589E-04 3817 0.303E-02 0.677E-02 RMM: 6 -0.332029310552E+03 0.26484E-04 -0.28107E-05 2590 0.158E-02 0.362E-02 RMM: 7 -0.332029310676E+03 -0.12394E-06 -0.14738E-05 2490 0.125E-02 3020 T= 6989. E= 0.67483256E+03 F= 0.62423968E+03 E0= 0.65270278E+03 EK= 0.56917E+02 SP= -.64E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332457909528E+03 -0.42860E+00 -0.13655E-01 7576 0.253E+01 0.163E-01 RMM: 2 -0.332473923045E+03 -0.16014E-01 -0.14310E-01 4656 0.926E-01 0.671E-01 RMM: 3 -0.332470742037E+03 0.31810E-02 -0.17384E-02 6098 0.235E-01 0.124E-01 RMM: 4 -0.332470408687E+03 0.33335E-03 -0.74042E-04 4846 0.670E-02 0.118E-01 RMM: 5 -0.332470318551E+03 0.90136E-04 -0.11386E-04 3756 0.319E-02 0.586E-02 RMM: 6 -0.332470300060E+03 0.18491E-04 -0.26965E-05 2551 0.151E-02 3021 T= 7024. E= 0.67482687E+03 F= 0.62379869E+03 E0= 0.65229382E+03 EK= 0.57199E+02 SP= -.62E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332520831004E+03 -0.50512E-01 -0.13808E-01 7440 0.253E+01 0.160E-01 RMM: 2 -0.332535589159E+03 -0.14758E-01 -0.12477E-01 4694 0.861E-01 0.701E-01 RMM: 3 -0.332532059256E+03 0.35299E-02 -0.15244E-02 5932 0.228E-01 0.156E-01 RMM: 4 -0.332531682088E+03 0.37717E-03 -0.67291E-04 4969 0.598E-02 0.765E-02 RMM: 5 -0.332531647414E+03 0.34673E-04 -0.93537E-05 3696 0.284E-02 0.606E-02 RMM: 6 -0.332531629525E+03 0.17890E-04 -0.23430E-05 2542 0.149E-02 3022 T= 7010. E= 0.67482453E+03 F= 0.62373736E+03 E0= 0.65226779E+03 EK= 0.57083E+02 SP= -.61E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332152785982E+03 0.37886E+00 -0.12542E-01 7528 0.251E+01 0.282E-01 RMM: 2 -0.332179536097E+03 -0.26750E-01 -0.10251E-01 4736 0.810E-01 0.164E+00 RMM: 3 -0.332161033820E+03 0.18502E-01 -0.14713E-02 5372 0.283E-01 0.247E-01 RMM: 4 -0.332160593176E+03 0.44064E-03 -0.14354E-03 4873 0.757E-02 0.770E-02 RMM: 5 -0.332160580632E+03 0.12545E-04 -0.16076E-04 4012 0.309E-02 3023 T= 6941. E= 0.67482678E+03 F= 0.62410841E+03 E0= 0.65267522E+03 EK= 0.56520E+02 SP= -.59E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331343028458E+03 0.81756E+00 -0.11585E-01 7456 0.249E+01 0.149E-01 RMM: 2 -0.331355695978E+03 -0.12668E-01 -0.86062E-02 4801 0.698E-01 0.825E-01 RMM: 3 -0.331350681540E+03 0.50144E-02 -0.10328E-02 5506 0.211E-01 0.167E-01 RMM: 4 -0.331350462680E+03 0.21886E-03 -0.66733E-04 4669 0.558E-02 0.818E-02 RMM: 5 -0.331350424861E+03 0.37819E-04 -0.83258E-05 3601 0.266E-02 0.590E-02 RMM: 6 -0.331350410791E+03 0.14069E-04 -0.22331E-05 2521 0.141E-02 3024 T= 6816. E= 0.67483186E+03 F= 0.62491858E+03 E0= 0.65352075E+03 EK= 0.55504E+02 SP= -.57E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330130326807E+03 0.12201E+01 -0.11435E-01 7368 0.245E+01 0.217E-01 RMM: 2 -0.330147181030E+03 -0.16854E-01 -0.85503E-02 4691 0.728E-01 0.119E+00 RMM: 3 -0.330137485445E+03 0.96956E-02 -0.11325E-02 5409 0.237E-01 0.208E-01 RMM: 4 -0.330137165965E+03 0.31948E-03 -0.93289E-04 4737 0.634E-02 0.695E-02 RMM: 5 -0.330137154190E+03 0.11775E-04 -0.11479E-04 3873 0.285E-02 3025 T= 6641. E= 0.67484007E+03 F= 0.62613184E+03 E0= 0.65476594E+03 EK= 0.54081E+02 SP= -.55E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328591897165E+03 0.15453E+01 -0.11526E-01 7656 0.240E+01 0.180E-01 RMM: 2 -0.328606184690E+03 -0.14288E-01 -0.83120E-02 4806 0.703E-01 0.101E+00 RMM: 3 -0.328599092987E+03 0.70917E-02 -0.10341E-02 5460 0.215E-01 0.183E-01 RMM: 4 -0.328598834581E+03 0.25841E-03 -0.72525E-04 4705 0.580E-02 0.770E-02 RMM: 5 -0.328598798261E+03 0.36320E-04 -0.91547E-05 3754 0.265E-02 0.553E-02 RMM: 6 -0.328598784954E+03 0.13307E-04 -0.24024E-05 2547 0.146E-02 3026 T= 6427. E= 0.67485053E+03 F= 0.62767020E+03 E0= 0.65633083E+03 EK= 0.52336E+02 SP= -.52E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326839948471E+03 0.17588E+01 -0.11215E-01 7616 0.235E+01 0.193E-01 RMM: 2 -0.326855359106E+03 -0.15411E-01 -0.88999E-02 4659 0.736E-01 0.105E+00 RMM: 3 -0.326847539697E+03 0.78194E-02 -0.11103E-02 5475 0.228E-01 0.190E-01 RMM: 4 -0.326847257819E+03 0.28188E-03 -0.87179E-04 4744 0.633E-02 0.704E-02 RMM: 5 -0.326847239457E+03 0.18362E-04 -0.11596E-04 3913 0.284E-02 3027 T= 6188. E= 0.67486242E+03 F= 0.62942175E+03 E0= 0.65810258E+03 EK= 0.50390E+02 SP= -.50E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325009821036E+03 0.18374E+01 -0.10358E-01 7712 0.230E+01 0.181E-01 RMM: 2 -0.325024834795E+03 -0.15014E-01 -0.85827E-02 4808 0.711E-01 0.104E+00 RMM: 3 -0.325017258765E+03 0.75760E-02 -0.10682E-02 5521 0.218E-01 0.177E-01 RMM: 4 -0.325016999909E+03 0.25886E-03 -0.74783E-04 4705 0.583E-02 0.713E-02 RMM: 5 -0.325016967123E+03 0.32787E-04 -0.89718E-05 3792 0.257E-02 0.580E-02 RMM: 6 -0.325016952425E+03 0.14698E-04 -0.21735E-05 2531 0.140E-02 3028 T= 5941. E= 0.67487440E+03 F= 0.63125204E+03 E0= 0.65994588E+03 EK= 0.48384E+02 SP= -.48E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323240574578E+03 0.17764E+01 -0.10433E-01 7416 0.225E+01 0.202E-01 RMM: 2 -0.323256857007E+03 -0.16282E-01 -0.95720E-02 4763 0.754E-01 0.108E+00 RMM: 3 -0.323248808616E+03 0.80484E-02 -0.11721E-02 5522 0.226E-01 0.219E-01 RMM: 4 -0.323248400806E+03 0.40781E-03 -0.88721E-04 4808 0.639E-02 0.714E-02 RMM: 5 -0.323248378629E+03 0.22177E-04 -0.12005E-04 3892 0.280E-02 0.667E-02 RMM: 6 -0.323248352733E+03 0.25895E-04 -0.23996E-05 2567 0.148E-02 0.366E-02 RMM: 7 -0.323248354035E+03 -0.13019E-05 -0.13021E-05 2482 0.116E-02 3029 T= 5706. E= 0.67488527E+03 F= 0.63302064E+03 E0= 0.66172052E+03 EK= 0.46465E+02 SP= -.47E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321670781253E+03 0.15776E+01 -0.95797E-02 7544 0.221E+01 0.193E-01 RMM: 2 -0.321683599549E+03 -0.12818E-01 -0.70062E-02 4969 0.637E-01 0.100E+00 RMM: 3 -0.321676593893E+03 0.70057E-02 -0.81404E-03 5455 0.195E-01 0.202E-01 RMM: 4 -0.321676330855E+03 0.26304E-03 -0.77946E-04 4627 0.615E-02 0.971E-02 RMM: 5 -0.321676304114E+03 0.26741E-04 -0.12357E-04 3809 0.295E-02 0.814E-02 RMM: 6 -0.321676259994E+03 0.44121E-04 -0.32758E-05 2953 0.177E-02 0.222E-02 RMM: 7 -0.321676261686E+03 -0.16920E-05 -0.11511E-05 2480 0.108E-02 3030 T= 5498. E= 0.67489493E+03 F= 0.63459273E+03 E0= 0.66329179E+03 EK= 0.44773E+02 SP= -.45E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320411115030E+03 0.12651E+01 -0.91267E-02 7584 0.217E+01 0.188E-01 RMM: 2 -0.320422955467E+03 -0.11840E-01 -0.66996E-02 5063 0.633E-01 0.968E-01 RMM: 3 -0.320416584132E+03 0.63713E-02 -0.77721E-03 5533 0.187E-01 0.163E-01 RMM: 4 -0.320416376584E+03 0.20755E-03 -0.59339E-04 4691 0.512E-02 0.794E-02 RMM: 5 -0.320416338268E+03 0.38316E-04 -0.85314E-05 3651 0.253E-02 0.647E-02 RMM: 6 -0.320416311523E+03 0.26744E-04 -0.23567E-05 2605 0.148E-02 0.328E-02 RMM: 7 -0.320416310566E+03 0.95733E-06 -0.13112E-05 2485 0.113E-02 3031 T= 5333. E= 0.67490208E+03 F= 0.63585268E+03 E0= 0.66454516E+03 EK= 0.43427E+02 SP= -.44E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319547751177E+03 0.86856E+00 -0.88810E-02 7736 0.215E+01 0.134E-01 RMM: 2 -0.319555185538E+03 -0.74344E-02 -0.61025E-02 5051 0.599E-01 0.577E-01 RMM: 3 -0.319552929675E+03 0.22559E-02 -0.66544E-03 5849 0.156E-01 0.108E-01 RMM: 4 -0.319552787369E+03 0.14231E-03 -0.33010E-04 4494 0.398E-02 0.700E-02 RMM: 5 -0.319552756798E+03 0.30571E-04 -0.40847E-05 2863 0.197E-02 0.509E-02 RMM: 6 -0.319552745864E+03 0.10934E-04 -0.19202E-05 2508 0.135E-02 3032 T= 5221. E= 0.67490643E+03 F= 0.63671624E+03 E0= 0.66539672E+03 EK= 0.42514E+02 SP= -.43E+01 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319129410951E+03 0.42335E+00 -0.85903E-02 7648 0.214E+01 0.171E-01 RMM: 2 -0.319138892082E+03 -0.94811E-02 -0.56243E-02 5217 0.567E-01 0.855E-01 RMM: 3 -0.319133965671E+03 0.49264E-02 -0.59472E-03 5529 0.163E-01 0.151E-01 RMM: 4 -0.319133785190E+03 0.18048E-03 -0.48010E-04 4479 0.452E-02 0.686E-02 RMM: 5 -0.319133759590E+03 0.25601E-04 -0.59064E-05 3327 0.211E-02 0.603E-02 RMM: 6 -0.319133738953E+03 0.20637E-04 -0.20172E-05 2529 0.140E-02 0.349E-02 RMM: 7 -0.319133738215E+03 0.73779E-06 -0.11313E-05 2473 0.104E-02 3033 T= 5168. E= 0.67490788E+03 F= 0.63713525E+03 E0= 0.66579951E+03 EK= 0.42082E+02 SP= -.43E+01 SK= 0.13E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319165796441E+03 -0.32057E-01 -0.86946E-02 7752 0.215E+01 0.184E-01 RMM: 2 -0.319175199412E+03 -0.94030E-02 -0.58515E-02 5149 0.587E-01 0.846E-01 RMM: 3 -0.319170485305E+03 0.47141E-02 -0.64829E-03 5506 0.173E-01 0.179E-01 RMM: 4 -0.319170257786E+03 0.22752E-03 -0.58907E-04 4614 0.516E-02 0.777E-02 RMM: 5 -0.319170255312E+03 0.24735E-05 -0.88563E-05 3657 0.240E-02 3034 T= 5175. E= 0.67490711E+03 F= 0.63709873E+03 E0= 0.66574263E+03 EK= 0.42145E+02 SP= -.43E+01 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319632843936E+03 -0.46259E+00 -0.90801E-02 7624 0.216E+01 0.131E-01 RMM: 2 -0.319641606731E+03 -0.87628E-02 -0.64338E-02 5124 0.599E-01 0.687E-01 RMM: 3 -0.319638444332E+03 0.31624E-02 -0.67610E-03 5792 0.155E-01 0.124E-01 RMM: 4 -0.319638266013E+03 0.17832E-03 -0.33278E-04 4348 0.400E-02 0.671E-02 RMM: 5 -0.319638229253E+03 0.36761E-04 -0.42858E-05 2903 0.194E-02 0.531E-02 RMM: 6 -0.319638220152E+03 0.91008E-05 -0.22426E-05 2528 0.144E-02 3035 T= 5241. E= 0.67490441E+03 F= 0.63663077E+03 E0= 0.66525252E+03 EK= 0.42678E+02 SP= -.44E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320480865185E+03 -0.84264E+00 -0.95046E-02 7912 0.219E+01 0.235E-01 RMM: 2 -0.320499615380E+03 -0.18750E-01 -0.69689E-02 4997 0.641E-01 0.139E+00 RMM: 3 -0.320486383676E+03 0.13232E-01 -0.96354E-03 5387 0.226E-01 0.216E-01 RMM: 4 -0.320486057694E+03 0.32598E-03 -0.94056E-04 4836 0.589E-02 0.603E-02 RMM: 5 -0.320486043477E+03 0.14217E-04 -0.96887E-05 3765 0.257E-02 3036 T= 5358. E= 0.67489968E+03 F= 0.63578295E+03 E0= 0.66438114E+03 EK= 0.43629E+02 SP= -.46E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321634797255E+03 -0.11487E+01 -0.94153E-02 7720 0.222E+01 0.200E-01 RMM: 2 -0.321650521106E+03 -0.15724E-01 -0.70921E-02 5105 0.643E-01 0.119E+00 RMM: 3 -0.321640617361E+03 0.99037E-02 -0.82224E-03 5425 0.201E-01 0.210E-01 RMM: 4 -0.321640293458E+03 0.32390E-03 -0.82460E-04 4634 0.603E-02 0.728E-02 RMM: 5 -0.321640266682E+03 0.26776E-04 -0.10109E-04 3857 0.250E-02 0.706E-02 RMM: 6 -0.321640237490E+03 0.29192E-04 -0.21228E-05 2553 0.140E-02 0.407E-02 RMM: 7 -0.321640235293E+03 0.21972E-05 -0.16435E-05 2510 0.122E-02 3037 T= 5517. E= 0.67489403E+03 F= 0.63462875E+03 E0= 0.66320306E+03 EK= 0.44925E+02 SP= -.47E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323010236359E+03 -0.13700E+01 -0.97773E-02 7872 0.226E+01 0.186E-01 RMM: 2 -0.323021440151E+03 -0.11204E-01 -0.73069E-02 4824 0.661E-01 0.880E-01 RMM: 3 -0.323016314468E+03 0.51257E-02 -0.86239E-03 5604 0.191E-01 0.174E-01 RMM: 4 -0.323016084606E+03 0.22986E-03 -0.62911E-04 4683 0.545E-02 0.859E-02 RMM: 5 -0.323016055382E+03 0.29223E-04 -0.10111E-04 3697 0.268E-02 0.685E-02 RMM: 6 -0.323016025723E+03 0.29660E-04 -0.26832E-05 2726 0.160E-02 0.233E-02 RMM: 7 -0.323016028349E+03 -0.26268E-05 -0.11556E-05 2480 0.110E-02 3038 T= 5708. E= 0.67488730E+03 F= 0.63325296E+03 E0= 0.66180532E+03 EK= 0.46479E+02 SP= -.50E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324515526182E+03 -0.14995E+01 -0.10206E-01 7696 0.229E+01 0.127E-01 RMM: 2 -0.324525034046E+03 -0.95079E-02 -0.89072E-02 4840 0.721E-01 0.485E-01 RMM: 3 -0.324523486919E+03 0.15471E-02 -0.99358E-03 6052 0.175E-01 0.112E-01 RMM: 4 -0.324523317375E+03 0.16954E-03 -0.48233E-04 4456 0.571E-02 0.107E-01 RMM: 5 -0.324523230758E+03 0.86617E-04 -0.80140E-05 3515 0.269E-02 0.485E-02 RMM: 6 -0.324523220451E+03 0.10307E-04 -0.20121E-05 2526 0.128E-02 3039 T= 5919. E= 0.67488040E+03 F= 0.63174577E+03 E0= 0.66027814E+03 EK= 0.48198E+02 SP= -.52E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326060747209E+03 -0.15375E+01 -0.10595E-01 7664 0.233E+01 0.132E-01 RMM: 2 -0.326073403863E+03 -0.12657E-01 -0.10629E-01 4731 0.777E-01 0.662E-01 RMM: 3 -0.326070250304E+03 0.31536E-02 -0.12245E-02 6061 0.195E-01 0.133E-01 RMM: 4 -0.326069937398E+03 0.31291E-03 -0.49008E-04 4826 0.531E-02 0.620E-02 RMM: 5 -0.326069908910E+03 0.28488E-04 -0.60419E-05 3169 0.240E-02 0.507E-02 RMM: 6 -0.326069901499E+03 0.74106E-05 -0.19987E-05 2509 0.135E-02 3040 T= 6138. E= 0.67487394E+03 F= 0.63019909E+03 E0= 0.65871595E+03 EK= 0.49985E+02 SP= -.55E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327562459434E+03 -0.14926E+01 -0.10868E-01 7728 0.236E+01 0.231E-01 RMM: 2 -0.327580483090E+03 -0.18024E-01 -0.89346E-02 4808 0.746E-01 0.125E+00 RMM: 3 -0.327569786840E+03 0.10696E-01 -0.11241E-02 5429 0.236E-01 0.226E-01 RMM: 4 -0.327569408630E+03 0.37821E-03 -0.10589E-03 4814 0.681E-02 0.824E-02 RMM: 5 -0.327569374777E+03 0.33853E-04 -0.14291E-04 3930 0.298E-02 0.728E-02 RMM: 6 -0.327569342265E+03 0.32512E-04 -0.27921E-05 2653 0.162E-02 0.364E-02 RMM: 7 -0.327569340707E+03 0.15581E-05 -0.13783E-05 2493 0.118E-02 3041 T= 6355. E= 0.67486808E+03 F= 0.62869965E+03 E0= 0.65720661E+03 EK= 0.51748E+02 SP= -.57E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328933580962E+03 -0.13642E+01 -0.11968E-01 7728 0.240E+01 0.211E-01 RMM: 2 -0.328951685372E+03 -0.18104E-01 -0.11847E-01 4723 0.842E-01 0.105E+00 RMM: 3 -0.328943871292E+03 0.78141E-02 -0.14144E-02 5588 0.241E-01 0.238E-01 RMM: 4 -0.328943382882E+03 0.48841E-03 -0.10791E-03 4867 0.721E-02 0.831E-02 RMM: 5 -0.328943373828E+03 0.90536E-05 -0.15906E-04 3882 0.316E-02 3042 T= 6558. E= 0.67486352E+03 F= 0.62732562E+03 E0= 0.65582835E+03 EK= 0.53402E+02 SP= -.60E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330117375443E+03 -0.11740E+01 -0.10928E-01 7896 0.242E+01 0.145E-01 RMM: 2 -0.330128410176E+03 -0.11035E-01 -0.76295E-02 4926 0.663E-01 0.806E-01 RMM: 3 -0.330123967322E+03 0.44429E-02 -0.84662E-03 5623 0.184E-01 0.135E-01 RMM: 4 -0.330123795597E+03 0.17173E-03 -0.47713E-04 4664 0.467E-02 0.748E-02 RMM: 5 -0.330123747413E+03 0.48184E-04 -0.62117E-05 3297 0.234E-02 0.526E-02 RMM: 6 -0.330123738884E+03 0.85281E-05 -0.23818E-05 2518 0.144E-02 3043 T= 6738. E= 0.67485985E+03 F= 0.62614525E+03 E0= 0.65464883E+03 EK= 0.54868E+02 SP= -.63E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331050000907E+03 -0.92625E+00 -0.11287E-01 7768 0.245E+01 0.222E-01 RMM: 2 -0.331066475021E+03 -0.16474E-01 -0.77768E-02 4791 0.684E-01 0.120E+00 RMM: 3 -0.331056317577E+03 0.10157E-01 -0.10104E-02 5395 0.228E-01 0.211E-01 RMM: 4 -0.331056012669E+03 0.30491E-03 -0.96961E-04 4692 0.650E-02 0.784E-02 RMM: 5 -0.331055993742E+03 0.18927E-04 -0.13097E-04 3862 0.297E-02 3044 T= 6887. E= 0.67485767E+03 F= 0.62521300E+03 E0= 0.65372314E+03 EK= 0.56086E+02 SP= -.66E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331696409837E+03 -0.64040E+00 -0.11759E-01 7952 0.246E+01 0.202E-01 RMM: 2 -0.331712800581E+03 -0.16391E-01 -0.79052E-02 4933 0.685E-01 0.119E+00 RMM: 3 -0.331703018517E+03 0.97821E-02 -0.97197E-03 5439 0.217E-01 0.190E-01 RMM: 4 -0.331702758029E+03 0.26049E-03 -0.84997E-04 4676 0.607E-02 0.859E-02 RMM: 5 -0.331702709631E+03 0.48398E-04 -0.10599E-04 3929 0.269E-02 0.668E-02 RMM: 6 -0.331702683738E+03 0.25893E-04 -0.23786E-05 2547 0.143E-02 0.439E-02 RMM: 7 -0.331702679632E+03 0.41059E-05 -0.21644E-05 2528 0.142E-02 3045 T= 7001. E= 0.67485689E+03 F= 0.62456631E+03 E0= 0.65308745E+03 EK= 0.57009E+02 SP= -.68E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332038247139E+03 -0.33556E+00 -0.12414E-01 7704 0.247E+01 0.181E-01 RMM: 2 -0.332051214794E+03 -0.12968E-01 -0.88659E-02 4686 0.725E-01 0.884E-01 RMM: 3 -0.332045773542E+03 0.54413E-02 -0.10722E-02 5646 0.210E-01 0.182E-01 RMM: 4 -0.332045484641E+03 0.28890E-03 -0.70326E-04 4694 0.599E-02 0.777E-02 RMM: 5 -0.332045468970E+03 0.15670E-04 -0.10325E-04 3691 0.273E-02 3046 T= 7075. E= 0.67485807E+03 F= 0.62422352E+03 E0= 0.65275914E+03 EK= 0.57613E+02 SP= -.71E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332078512946E+03 -0.33028E-01 -0.12437E-01 7864 0.248E+01 0.105E-01 RMM: 2 -0.332087211264E+03 -0.86983E-02 -0.84295E-02 4898 0.683E-01 0.390E-01 RMM: 3 -0.332085968821E+03 0.12424E-02 -0.87036E-03 6000 0.173E-01 0.911E-02 RMM: 4 -0.332085855306E+03 0.11352E-03 -0.35510E-04 4366 0.479E-02 0.886E-02 RMM: 5 -0.332085798533E+03 0.56773E-04 -0.47939E-05 3069 0.231E-02 0.529E-02 RMM: 6 -0.332085793476E+03 0.50577E-05 -0.27105E-05 2534 0.148E-02 3047 T= 7109. E= 0.67486026E+03 F= 0.62418320E+03 E0= 0.65273541E+03 EK= 0.57894E+02 SP= -.73E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331832025317E+03 0.25377E+00 -0.12988E-01 7664 0.248E+01 0.179E-01 RMM: 2 -0.331847637636E+03 -0.15612E-01 -0.98827E-02 4676 0.764E-01 0.989E-01 RMM: 3 -0.331840555053E+03 0.70826E-02 -0.12061E-02 5589 0.226E-01 0.170E-01 RMM: 4 -0.331840289214E+03 0.26584E-03 -0.78067E-04 4776 0.600E-02 0.665E-02 RMM: 5 -0.331840275415E+03 0.13800E-04 -0.98561E-05 3890 0.270E-02 3048 T= 7106. E= 0.67486317E+03 F= 0.62442871E+03 E0= 0.65299925E+03 EK= 0.57865E+02 SP= -.75E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331330783262E+03 0.50951E+00 -0.12316E-01 7752 0.248E+01 0.193E-01 RMM: 2 -0.331346166002E+03 -0.15383E-01 -0.83771E-02 5033 0.690E-01 0.110E+00 RMM: 3 -0.331337710650E+03 0.84554E-02 -0.92127E-03 5469 0.210E-01 0.206E-01 RMM: 4 -0.331337401528E+03 0.30912E-03 -0.78314E-04 4687 0.600E-02 0.813E-02 RMM: 5 -0.331337361719E+03 0.39808E-04 -0.93485E-05 3856 0.252E-02 0.703E-02 RMM: 6 -0.331337339246E+03 0.22473E-04 -0.21682E-05 2548 0.138E-02 0.547E-02 RMM: 7 -0.331337341136E+03 -0.18899E-05 -0.38934E-05 2875 0.173E-02 3049 T= 7068. E= 0.67486737E+03 F= 0.62493165E+03 E0= 0.65352016E+03 EK= 0.57554E+02 SP= -.77E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330608106960E+03 0.72923E+00 -0.12738E-01 7696 0.247E+01 0.186E-01 RMM: 2 -0.330621256781E+03 -0.13150E-01 -0.10068E-01 4721 0.755E-01 0.807E-01 RMM: 3 -0.330616663150E+03 0.45936E-02 -0.11861E-02 5722 0.217E-01 0.174E-01 RMM: 4 -0.330616435339E+03 0.22781E-03 -0.76610E-04 4698 0.634E-02 0.123E-01 RMM: 5 -0.330616364510E+03 0.70829E-04 -0.12578E-04 3754 0.307E-02 0.748E-02 RMM: 6 -0.330616329743E+03 0.34767E-04 -0.31449E-05 2840 0.172E-02 0.247E-02 RMM: 7 -0.330616336806E+03 -0.70632E-05 -0.14186E-05 2490 0.124E-02 3050 T= 7000. E= 0.67487180E+03 F= 0.62565265E+03 E0= 0.65425902E+03 EK= 0.57000E+02 SP= -.78E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329717165455E+03 0.89916E+00 -0.12187E-01 8056 0.245E+01 0.149E-01 RMM: 2 -0.329728652491E+03 -0.11487E-01 -0.93818E-02 4989 0.708E-01 0.683E-01 RMM: 3 -0.329725235659E+03 0.34168E-02 -0.10104E-02 5909 0.193E-01 0.138E-01 RMM: 4 -0.329725001347E+03 0.23431E-03 -0.48156E-04 4556 0.505E-02 0.882E-02 RMM: 5 -0.329724946917E+03 0.54430E-04 -0.67184E-05 3415 0.237E-02 0.622E-02 RMM: 6 -0.329724930965E+03 0.15952E-04 -0.22533E-05 2533 0.142E-02 3051 T= 6908. E= 0.67487656E+03 F= 0.62654406E+03 E0= 0.65516743E+03 EK= 0.56254E+02 SP= -.80E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328704180169E+03 0.10208E+01 -0.12951E-01 8032 0.244E+01 0.223E-01 RMM: 2 -0.328723144938E+03 -0.18965E-01 -0.11054E-01 4851 0.780E-01 0.118E+00 RMM: 3 -0.328713561984E+03 0.95830E-02 -0.13725E-02 5560 0.246E-01 0.222E-01 RMM: 4 -0.328713151183E+03 0.41080E-03 -0.10535E-03 5052 0.650E-02 0.840E-02 RMM: 5 -0.328713125101E+03 0.26082E-04 -0.11870E-04 3838 0.292E-02 0.807E-02 RMM: 6 -0.328713095032E+03 0.30069E-04 -0.28021E-05 2620 0.154E-02 0.581E-02 RMM: 7 -0.328713126251E+03 -0.31219E-04 -0.53073E-05 3303 0.207E-02 0.918E-02 RMM: 8 -0.328713079104E+03 0.47146E-04 -0.69370E-05 3648 0.202E-02 0.434E-02 RMM: 9 -0.328713069456E+03 0.96486E-05 -0.15711E-05 2514 0.118E-02 3052 T= 6799. E= 0.67488083E+03 F= 0.62755592E+03 E0= 0.65619582E+03 EK= 0.55368E+02 SP= -.81E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327620888967E+03 0.10922E+01 -0.12902E-01 8312 0.242E+01 0.240E-01 RMM: 2 -0.327638909511E+03 -0.18021E-01 -0.10220E-01 5012 0.723E-01 0.119E+00 RMM: 3 -0.327628802102E+03 0.10107E-01 -0.10953E-02 5494 0.230E-01 0.181E-01 RMM: 4 -0.327628790529E+03 0.11573E-04 -0.12187E-03 4710 0.782E-02 0.205E-01 RMM: 5 -0.327628606493E+03 0.18404E-03 -0.22174E-04 3892 0.381E-02 0.129E-01 RMM: 6 -0.327628489260E+03 0.11723E-03 -0.75980E-05 3508 0.257E-02 0.275E-02 RMM: 7 -0.327628501324E+03 -0.12064E-04 -0.22395E-05 2576 0.141E-02 3053 T= 6680. E= 0.67488523E+03 F= 0.62864049E+03 E0= 0.65729590E+03 EK= 0.54396E+02 SP= -.82E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326507397586E+03 0.11211E+01 -0.13459E-01 8352 0.240E+01 0.188E-01 RMM: 2 -0.326526593709E+03 -0.19196E-01 -0.13186E-01 5107 0.807E-01 0.103E+00 RMM: 3 -0.326518644470E+03 0.79492E-02 -0.13576E-02 5752 0.224E-01 0.186E-01 RMM: 4 -0.326518250192E+03 0.39428E-03 -0.80135E-04 4920 0.605E-02 0.732E-02 RMM: 5 -0.326518228236E+03 0.21956E-04 -0.92946E-05 3861 0.252E-02 0.686E-02 RMM: 6 -0.326518209229E+03 0.19006E-04 -0.21017E-05 2544 0.137E-02 3054 T= 6556. E= 0.67488920E+03 F= 0.62975078E+03 E0= 0.65842180E+03 EK= 0.53389E+02 SP= -.83E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325412673235E+03 0.11056E+01 -0.13350E-01 8552 0.237E+01 0.229E-01 RMM: 2 -0.325434198080E+03 -0.21525E-01 -0.11830E-01 5228 0.741E-01 0.127E+00 RMM: 3 -0.325422296713E+03 0.11901E-01 -0.12004E-02 5433 0.239E-01 0.226E-01 RMM: 4 -0.325421939658E+03 0.35705E-03 -0.11489E-03 5279 0.635E-02 0.867E-02 RMM: 5 -0.325421886769E+03 0.52889E-04 -0.90906E-05 3730 0.251E-02 0.758E-02 RMM: 6 -0.325421871115E+03 0.15654E-04 -0.23329E-05 2560 0.146E-02 3055 T= 6433. E= 0.67489237E+03 F= 0.63084712E+03 E0= 0.65953370E+03 EK= 0.52391E+02 SP= -.84E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324361368415E+03 0.10605E+01 -0.14001E-01 8432 0.235E+01 0.383E-01 RMM: 2 -0.324405792109E+03 -0.44424E-01 -0.14989E-01 5038 0.884E-01 0.218E+00 RMM: 3 -0.324373193840E+03 0.32598E-01 -0.20726E-02 5413 0.339E-01 0.434E-01 RMM: 4 -0.324371796545E+03 0.13973E-02 -0.25193E-03 5096 0.105E-01 0.817E-02 RMM: 5 -0.324371791872E+03 0.46730E-05 -0.33788E-04 5016 0.315E-02 0.948E-02 RMM: 6 -0.324371737648E+03 0.54224E-04 -0.25592E-05 2650 0.157E-02 0.548E-02 RMM: 7 -0.324371745704E+03 -0.80566E-05 -0.21250E-05 2549 0.137E-02 3056 T= 6317. E= 0.67489432E+03 F= 0.63189724E+03 E0= 0.66059965E+03 EK= 0.51438E+02 SP= -.85E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323384862535E+03 0.98688E+00 -0.13858E-01 8800 0.233E+01 0.317E-01 RMM: 2 -0.323420898428E+03 -0.36036E-01 -0.13895E-01 5115 0.792E-01 0.188E+00 RMM: 3 -0.323395854185E+03 0.25044E-01 -0.16385E-02 5385 0.299E-01 0.344E-01 RMM: 4 -0.323395062524E+03 0.79166E-03 -0.20919E-03 5034 0.972E-02 0.135E-01 RMM: 5 -0.323395083634E+03 -0.21110E-04 -0.29870E-04 3926 0.413E-02 0.146E-01 RMM: 6 -0.323394939755E+03 0.14388E-03 -0.79115E-05 3552 0.256E-02 0.440E-02 RMM: 7 -0.323394941925E+03 -0.21697E-05 -0.22170E-05 2575 0.137E-02 3057 T= 6209. E= 0.67489635E+03 F= 0.63287405E+03 E0= 0.66159217E+03 EK= 0.50564E+02 SP= -.86E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322504326153E+03 0.89061E+00 -0.14220E-01 8880 0.232E+01 0.280E-01 RMM: 2 -0.322530542284E+03 -0.26216E-01 -0.14584E-01 5101 0.837E-01 0.143E+00 RMM: 3 -0.322516225459E+03 0.14317E-01 -0.15780E-02 5517 0.273E-01 0.290E-01 RMM: 4 -0.322515584388E+03 0.64107E-03 -0.15035E-03 5028 0.766E-02 0.889E-02 RMM: 5 -0.322515539871E+03 0.44517E-04 -0.16760E-04 3931 0.312E-02 0.898E-02 RMM: 6 -0.322515493843E+03 0.46028E-04 -0.31614E-05 2763 0.168E-02 0.527E-02 RMM: 7 -0.322515492133E+03 0.17103E-05 -0.20150E-05 2538 0.139E-02 3058 T= 6115. E= 0.67489810E+03 F= 0.63375350E+03 E0= 0.66248666E+03 EK= 0.49796E+02 SP= -.87E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321744685882E+03 0.77081E+00 -0.13991E-01 8616 0.230E+01 0.206E-01 RMM: 2 -0.321766341981E+03 -0.21656E-01 -0.14670E-01 5195 0.822E-01 0.110E+00 RMM: 3 -0.321757111229E+03 0.92308E-02 -0.13592E-02 5642 0.237E-01 0.211E-01 RMM: 4 -0.321756687775E+03 0.42345E-03 -0.10055E-03 4823 0.665E-02 0.923E-02 RMM: 5 -0.321756645306E+03 0.42469E-04 -0.12551E-04 3945 0.281E-02 0.704E-02 RMM: 6 -0.321756618378E+03 0.26928E-04 -0.23423E-05 2589 0.142E-02 0.506E-02 RMM: 7 -0.321756621148E+03 -0.27698E-05 -0.20810E-05 2562 0.140E-02 3059 T= 6037. E= 0.67489924E+03 F= 0.63451237E+03 E0= 0.66325826E+03 EK= 0.49160E+02 SP= -.88E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321128713342E+03 0.62791E+00 -0.14037E-01 8528 0.229E+01 0.229E-01 RMM: 2 -0.321149912174E+03 -0.21199E-01 -0.15808E-01 4999 0.880E-01 0.102E+00 RMM: 3 -0.321142031197E+03 0.78810E-02 -0.16422E-02 5800 0.255E-01 0.200E-01 RMM: 4 -0.321141598903E+03 0.43229E-03 -0.10888E-03 5094 0.678E-02 0.961E-02 RMM: 5 -0.321141560769E+03 0.38134E-04 -0.13073E-04 3884 0.282E-02 0.916E-02 RMM: 6 -0.321141513489E+03 0.47280E-04 -0.30255E-05 2745 0.168E-02 0.470E-02 RMM: 7 -0.321141513408E+03 0.81156E-07 -0.18673E-05 2532 0.133E-02 3060 T= 5978. E= 0.67490019E+03 F= 0.63512748E+03 E0= 0.66388241E+03 EK= 0.48683E+02 SP= -.90E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320679246112E+03 0.46227E+00 -0.13585E-01 8648 0.229E+01 0.184E-01 RMM: 2 -0.320697664542E+03 -0.18418E-01 -0.13431E-01 5169 0.796E-01 0.951E-01 RMM: 3 -0.320690574583E+03 0.70900E-02 -0.12573E-02 5732 0.225E-01 0.190E-01 RMM: 4 -0.320690231511E+03 0.34307E-03 -0.82493E-04 4843 0.610E-02 0.988E-02 RMM: 5 -0.320690175916E+03 0.55595E-04 -0.10402E-04 3763 0.268E-02 0.700E-02 RMM: 6 -0.320690154246E+03 0.21670E-04 -0.24131E-05 2581 0.147E-02 0.542E-02 RMM: 7 -0.320690158561E+03 -0.43151E-05 -0.29920E-05 2662 0.158E-02 3061 T= 5942. E= 0.67490071E+03 F= 0.63557883E+03 E0= 0.66433787E+03 EK= 0.48387E+02 SP= -.91E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320403506012E+03 0.28665E+00 -0.13360E-01 8312 0.229E+01 0.220E-01 RMM: 2 -0.320422954513E+03 -0.19449E-01 -0.14032E-01 4955 0.846E-01 0.102E+00 RMM: 3 -0.320415261187E+03 0.76933E-02 -0.15144E-02 5825 0.245E-01 0.225E-01 RMM: 4 -0.320414746324E+03 0.51486E-03 -0.98449E-04 4946 0.676E-02 0.844E-02 RMM: 5 -0.320414730993E+03 0.15331E-04 -0.13548E-04 3854 0.290E-02 3062 T= 5929. E= 0.67490067E+03 F= 0.63585426E+03 E0= 0.66461058E+03 EK= 0.48284E+02 SP= -.93E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320304125741E+03 0.11062E+00 -0.11906E-01 8640 0.229E+01 0.132E-01 RMM: 2 -0.320316281799E+03 -0.12156E-01 -0.10563E-01 5416 0.689E-01 0.596E-01 RMM: 3 -0.320312821231E+03 0.34606E-02 -0.82049E-03 5790 0.179E-01 0.148E-01 RMM: 4 -0.320312614642E+03 0.20659E-03 -0.46519E-04 4633 0.441E-02 0.978E-02 RMM: 5 -0.320312561767E+03 0.52875E-04 -0.43411E-05 2957 0.203E-02 0.832E-02 RMM: 6 -0.320312554993E+03 0.67735E-05 -0.41042E-05 3012 0.184E-02 3063 T= 5940. E= 0.67489954E+03 F= 0.63595643E+03 E0= 0.66470376E+03 EK= 0.48374E+02 SP= -.95E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320359508486E+03 -0.46947E-01 -0.10921E-01 8368 0.231E+01 0.399E-01 RMM: 2 -0.320406004927E+03 -0.46496E-01 -0.11024E-01 4964 0.782E-01 0.238E+00 RMM: 3 -0.320367190079E+03 0.38815E-01 -0.18873E-02 5371 0.340E-01 0.389E-01 RMM: 4 -0.320366103615E+03 0.10865E-02 -0.23292E-03 5147 0.101E-01 0.107E-01 RMM: 5 -0.320366154508E+03 -0.50893E-04 -0.32155E-04 3924 0.404E-02 0.143E-01 RMM: 6 -0.320366026004E+03 0.12850E-03 -0.82468E-05 3588 0.262E-02 0.548E-02 RMM: 7 -0.320366011783E+03 0.14221E-04 -0.19561E-05 2546 0.131E-02 3064 T= 5973. E= 0.67489797E+03 F= 0.63590298E+03 E0= 0.66463580E+03 EK= 0.48639E+02 SP= -.98E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320543860491E+03 -0.17783E+00 -0.10988E-01 8344 0.232E+01 0.406E-01 RMM: 2 -0.320596683022E+03 -0.52823E-01 -0.10709E-01 5197 0.767E-01 0.258E+00 RMM: 3 -0.320551301292E+03 0.45382E-01 -0.19703E-02 5358 0.350E-01 0.376E-01 RMM: 4 -0.320550278682E+03 0.10226E-02 -0.23156E-03 5007 0.981E-02 0.123E-01 RMM: 5 -0.320550217993E+03 0.60689E-04 -0.25744E-04 3914 0.377E-02 0.111E-01 RMM: 6 -0.320550130659E+03 0.87334E-04 -0.50885E-05 3172 0.213E-02 0.547E-02 RMM: 7 -0.320550124797E+03 0.58623E-05 -0.21847E-05 2540 0.138E-02 3065 T= 6024. E= 0.67489657E+03 F= 0.63571886E+03 E0= 0.66443237E+03 EK= 0.49056E+02 SP= -.10E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320835264168E+03 -0.28513E+00 -0.10822E-01 8176 0.234E+01 0.312E-01 RMM: 2 -0.320862499984E+03 -0.27236E-01 -0.99881E-02 5144 0.730E-01 0.170E+00 RMM: 3 -0.320842634660E+03 0.19865E-01 -0.13642E-02 5384 0.280E-01 0.314E-01 RMM: 4 -0.320841941962E+03 0.69270E-03 -0.15382E-03 4828 0.784E-02 0.972E-02 RMM: 5 -0.320841904539E+03 0.37423E-04 -0.17981E-04 3911 0.339E-02 0.876E-02 RMM: 6 -0.320841856729E+03 0.47810E-04 -0.33631E-05 2863 0.178E-02 0.487E-02 RMM: 7 -0.320841856989E+03 -0.25949E-06 -0.17549E-05 2519 0.138E-02 3066 T= 6091. E= 0.67489518E+03 F= 0.63542713E+03 E0= 0.66411882E+03 EK= 0.49599E+02 SP= -.10E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321218559530E+03 -0.37670E+00 -0.10929E-01 8336 0.235E+01 0.264E-01 RMM: 2 -0.321239803831E+03 -0.21244E-01 -0.95077E-02 5098 0.706E-01 0.140E+00 RMM: 3 -0.321226120447E+03 0.13683E-01 -0.11888E-02 5427 0.246E-01 0.256E-01 RMM: 4 -0.321225672699E+03 0.44775E-03 -0.12336E-03 4721 0.730E-02 0.112E-01 RMM: 5 -0.321225609518E+03 0.63181E-04 -0.16218E-04 3890 0.326E-02 0.881E-02 RMM: 6 -0.321225558762E+03 0.50756E-04 -0.34693E-05 2909 0.182E-02 0.458E-02 RMM: 7 -0.321225556370E+03 0.23923E-05 -0.17715E-05 2514 0.131E-02 3067 T= 6171. E= 0.67489438E+03 F= 0.63504343E+03 E0= 0.66371236E+03 EK= 0.50252E+02 SP= -.11E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321683832977E+03 -0.45827E+00 -0.11531E-01 8072 0.236E+01 0.237E-01 RMM: 2 -0.321702614340E+03 -0.18781E-01 -0.10971E-01 4966 0.761E-01 0.118E+00 RMM: 3 -0.321692791221E+03 0.98231E-02 -0.12944E-02 5499 0.247E-01 0.223E-01 RMM: 4 -0.321692418287E+03 0.37293E-03 -0.10935E-03 4977 0.659E-02 0.945E-02 RMM: 5 -0.321692368284E+03 0.50003E-04 -0.12901E-04 3862 0.294E-02 0.829E-02 RMM: 6 -0.321692327990E+03 0.40294E-04 -0.29679E-05 2732 0.166E-02 0.506E-02 RMM: 7 -0.321692327936E+03 0.54239E-07 -0.27435E-05 2603 0.158E-02 3068 T= 6263. E= 0.67489408E+03 F= 0.63457666E+03 E0= 0.66322285E+03 EK= 0.51005E+02 SP= -.11E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322229388270E+03 -0.53706E+00 -0.11338E-01 7896 0.238E+01 0.220E-01 RMM: 2 -0.322246838443E+03 -0.17450E-01 -0.10410E-01 5045 0.732E-01 0.111E+00 RMM: 3 -0.322237923855E+03 0.89146E-02 -0.11385E-02 5597 0.225E-01 0.219E-01 RMM: 4 -0.322237570921E+03 0.35293E-03 -0.94859E-04 4746 0.655E-02 0.102E-01 RMM: 5 -0.322237513973E+03 0.56949E-04 -0.13586E-04 3857 0.298E-02 0.791E-02 RMM: 6 -0.322237475851E+03 0.38121E-04 -0.32096E-05 2866 0.173E-02 0.436E-02 RMM: 7 -0.322237475147E+03 0.70443E-06 -0.18675E-05 2522 0.132E-02 3069 T= 6367. E= 0.67489342E+03 F= 0.63403151E+03 E0= 0.66265623E+03 EK= 0.51850E+02 SP= -.11E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322845787350E+03 -0.60831E+00 -0.11650E-01 8272 0.239E+01 0.205E-01 RMM: 2 -0.322862057190E+03 -0.16270E-01 -0.11633E-01 4986 0.767E-01 0.959E-01 RMM: 3 -0.322855384200E+03 0.66730E-02 -0.12350E-02 5794 0.226E-01 0.177E-01 RMM: 4 -0.322855085998E+03 0.29820E-03 -0.79655E-04 4922 0.595E-02 0.103E-01 RMM: 5 -0.322855012857E+03 0.73140E-04 -0.10657E-04 3767 0.270E-02 0.784E-02 RMM: 6 -0.322854979092E+03 0.33765E-04 -0.28228E-05 2669 0.162E-02 0.496E-02 RMM: 7 -0.322854971199E+03 0.78926E-05 -0.29516E-05 2624 0.157E-02 3070 T= 6481. E= 0.67489224E+03 F= 0.63341402E+03 E0= 0.66201882E+03 EK= 0.52776E+02 SP= -.11E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323526201813E+03 -0.67122E+00 -0.12450E-01 8088 0.241E+01 0.195E-01 RMM: 2 -0.323543935302E+03 -0.17733E-01 -0.13049E-01 4962 0.804E-01 0.938E-01 RMM: 3 -0.323537246593E+03 0.66887E-02 -0.13694E-02 5893 0.228E-01 0.200E-01 RMM: 4 -0.323536834161E+03 0.41243E-03 -0.82210E-04 4801 0.629E-02 0.956E-02 RMM: 5 -0.323536775781E+03 0.58380E-04 -0.11734E-04 3806 0.283E-02 0.751E-02 RMM: 6 -0.323536747053E+03 0.28728E-04 -0.27325E-05 2645 0.159E-02 0.501E-02 RMM: 7 -0.323536745302E+03 0.17509E-05 -0.23557E-05 2575 0.146E-02 3071 T= 6603. E= 0.67489018E+03 F= 0.63273224E+03 E0= 0.66131900E+03 EK= 0.53772E+02 SP= -.12E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324257217117E+03 -0.72047E+00 -0.13415E-01 8136 0.243E+01 0.200E-01 RMM: 2 -0.324275268950E+03 -0.18052E-01 -0.14273E-01 4980 0.841E-01 0.884E-01 RMM: 3 -0.324269280902E+03 0.59880E-02 -0.14922E-02 5957 0.235E-01 0.191E-01 RMM: 4 -0.324268856856E+03 0.42405E-03 -0.83248E-04 4944 0.633E-02 0.101E-01 RMM: 5 -0.324268792508E+03 0.64348E-04 -0.11925E-04 3801 0.279E-02 0.816E-02 RMM: 6 -0.324268756620E+03 0.35888E-04 -0.29658E-05 2721 0.168E-02 0.503E-02 RMM: 7 -0.324268753722E+03 0.28984E-05 -0.25248E-05 2601 0.149E-02 3072 T= 6732. E= 0.67488766E+03 F= 0.63200024E+03 E0= 0.66057025E+03 EK= 0.54820E+02 SP= -.12E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325014933129E+03 -0.74618E+00 -0.14084E-01 8320 0.245E+01 0.205E-01 RMM: 2 -0.325035265310E+03 -0.20332E-01 -0.14630E-01 5016 0.850E-01 0.102E+00 RMM: 3 -0.325027416346E+03 0.78490E-02 -0.15647E-02 5872 0.242E-01 0.210E-01 RMM: 4 -0.325026931847E+03 0.48450E-03 -0.93438E-04 4865 0.662E-02 0.906E-02 RMM: 5 -0.325026883651E+03 0.48197E-04 -0.12738E-04 3856 0.284E-02 0.772E-02 RMM: 6 -0.325026855167E+03 0.28484E-04 -0.27100E-05 2625 0.155E-02 0.550E-02 RMM: 7 -0.325026855525E+03 -0.35785E-06 -0.27174E-05 2615 0.154E-02 3073 T= 6863. E= 0.67488460E+03 F= 0.63124213E+03 E0= 0.65979607E+03 EK= 0.55890E+02 SP= -.12E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325764297063E+03 -0.73744E+00 -0.14505E-01 8592 0.247E+01 0.211E-01 RMM: 2 -0.325782421558E+03 -0.18124E-01 -0.13906E-01 5071 0.823E-01 0.934E-01 RMM: 3 -0.325775811865E+03 0.66097E-02 -0.14265E-02 5885 0.237E-01 0.190E-01 RMM: 4 -0.325775446640E+03 0.36522E-03 -0.89254E-04 4948 0.632E-02 0.102E-01 RMM: 5 -0.325775389597E+03 0.57043E-04 -0.12232E-04 3775 0.278E-02 0.874E-02 RMM: 6 -0.325775345674E+03 0.43923E-04 -0.33064E-05 2835 0.176E-02 0.481E-02 RMM: 7 -0.325775346210E+03 -0.53560E-06 -0.23313E-05 2575 0.146E-02 3074 T= 6992. E= 0.67487996E+03 F= 0.63049364E+03 E0= 0.65903103E+03 EK= 0.56941E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326449170849E+03 -0.67383E+00 -0.15779E-01 8504 0.250E+01 0.216E-01 RMM: 2 -0.326470953342E+03 -0.21782E-01 -0.16147E-01 5017 0.896E-01 0.103E+00 RMM: 3 -0.326463048886E+03 0.79045E-02 -0.17402E-02 5881 0.250E-01 0.219E-01 RMM: 4 -0.326462482467E+03 0.56642E-03 -0.99918E-04 4907 0.682E-02 0.955E-02 RMM: 5 -0.326462434913E+03 0.47554E-04 -0.13870E-04 3876 0.301E-02 0.831E-02 RMM: 6 -0.326462398385E+03 0.36528E-04 -0.30849E-05 2789 0.166E-02 0.541E-02 RMM: 7 -0.326462399888E+03 -0.15034E-05 -0.27263E-05 2612 0.154E-02 3075 T= 7112. E= 0.67487423E+03 F= 0.62980659E+03 E0= 0.65832596E+03 EK= 0.57914E+02 SP= -.13E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327010597921E+03 -0.54820E+00 -0.16350E-01 8424 0.252E+01 0.222E-01 RMM: 2 -0.327032247405E+03 -0.21649E-01 -0.16790E-01 5065 0.911E-01 0.990E-01 RMM: 3 -0.327024901157E+03 0.73462E-02 -0.17321E-02 5904 0.252E-01 0.195E-01 RMM: 4 -0.327024435311E+03 0.46585E-03 -0.99076E-04 4975 0.678E-02 0.108E-01 RMM: 5 -0.327024378755E+03 0.56556E-04 -0.13979E-04 3838 0.300E-02 0.866E-02 RMM: 6 -0.327024334723E+03 0.44033E-04 -0.35857E-05 2922 0.183E-02 0.462E-02 RMM: 7 -0.327024337893E+03 -0.31697E-05 -0.21736E-05 2568 0.142E-02 3076 T= 7213. E= 0.67486868E+03 F= 0.62924465E+03 E0= 0.65774455E+03 EK= 0.58740E+02 SP= -.13E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327383886653E+03 -0.35955E+00 -0.16041E-01 8808 0.254E+01 0.241E-01 RMM: 2 -0.327405749403E+03 -0.21863E-01 -0.14684E-01 5198 0.853E-01 0.115E+00 RMM: 3 -0.327396001267E+03 0.97481E-02 -0.14269E-02 5787 0.244E-01 0.221E-01 RMM: 4 -0.327395542030E+03 0.45924E-03 -0.10289E-03 4823 0.683E-02 0.107E-01 RMM: 5 -0.327395490016E+03 0.52014E-04 -0.14882E-04 3869 0.314E-02 0.899E-02 RMM: 6 -0.327395444161E+03 0.45855E-04 -0.38162E-05 3015 0.186E-02 0.502E-02 RMM: 7 -0.327395447450E+03 -0.32891E-05 -0.24006E-05 2577 0.146E-02 3077 T= 7288. E= 0.67486420E+03 F= 0.62887354E+03 E0= 0.65735245E+03 EK= 0.59350E+02 SP= -.13E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327506641013E+03 -0.11120E+00 -0.16253E-01 8728 0.256E+01 0.219E-01 RMM: 2 -0.327525987721E+03 -0.19347E-01 -0.14517E-01 5197 0.838E-01 0.981E-01 RMM: 3 -0.327518635922E+03 0.73518E-02 -0.13653E-02 5834 0.233E-01 0.201E-01 RMM: 4 -0.327518258502E+03 0.37742E-03 -0.90125E-04 4820 0.643E-02 0.109E-01 RMM: 5 -0.327518195528E+03 0.62973E-04 -0.13243E-04 3830 0.292E-02 0.857E-02 RMM: 6 -0.327518153579E+03 0.41949E-04 -0.35184E-05 2946 0.181E-02 0.451E-02 RMM: 7 -0.327518158090E+03 -0.45106E-05 -0.24571E-05 2591 0.148E-02 3078 T= 7329. E= 0.67486113E+03 F= 0.62875083E+03 E0= 0.65720831E+03 EK= 0.59681E+02 SP= -.14E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327346380791E+03 0.17177E+00 -0.15823E-01 8576 0.257E+01 0.242E-01 RMM: 2 -0.327366794326E+03 -0.20414E-01 -0.13112E-01 5330 0.804E-01 0.116E+00 RMM: 3 -0.327356751641E+03 0.10043E-01 -0.11889E-02 5758 0.228E-01 0.216E-01 RMM: 4 -0.327356364577E+03 0.38706E-03 -0.95560E-04 4741 0.667E-02 0.113E-01 RMM: 5 -0.327356308861E+03 0.55716E-04 -0.14485E-04 3853 0.306E-02 0.940E-02 RMM: 6 -0.327356256526E+03 0.52335E-04 -0.39736E-05 3044 0.192E-02 0.476E-02 RMM: 7 -0.327356258912E+03 -0.23860E-05 -0.22544E-05 2559 0.141E-02 3079 T= 7330. E= 0.67486079E+03 F= 0.62891273E+03 E0= 0.65734969E+03 EK= 0.59695E+02 SP= -.14E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326901456849E+03 0.45480E+00 -0.15565E-01 8624 0.257E+01 0.221E-01 RMM: 2 -0.326919832358E+03 -0.18376E-01 -0.13518E-01 5242 0.819E-01 0.980E-01 RMM: 3 -0.326912400127E+03 0.74322E-02 -0.12447E-02 5756 0.230E-01 0.208E-01 RMM: 4 -0.326912047742E+03 0.35239E-03 -0.87826E-04 4819 0.631E-02 0.105E-01 RMM: 5 -0.326911986523E+03 0.61218E-04 -0.12193E-04 3797 0.284E-02 0.845E-02 RMM: 6 -0.326911948082E+03 0.38441E-04 -0.32434E-05 2898 0.174E-02 0.488E-02 RMM: 7 -0.326911952851E+03 -0.47687E-05 -0.28764E-05 2639 0.159E-02 3080 T= 7294. E= 0.67486432E+03 F= 0.62935704E+03 E0= 0.65777598E+03 EK= 0.59394E+02 SP= -.14E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326228940462E+03 0.68301E+00 -0.14729E-01 8464 0.256E+01 0.246E-01 RMM: 2 -0.326249833540E+03 -0.20893E-01 -0.13232E-01 5224 0.821E-01 0.119E+00 RMM: 3 -0.326239462827E+03 0.10371E-01 -0.12660E-02 5663 0.243E-01 0.217E-01 RMM: 4 -0.326239109638E+03 0.35319E-03 -0.10250E-03 4785 0.687E-02 0.113E-01 RMM: 5 -0.326239055139E+03 0.54499E-04 -0.14274E-04 3825 0.306E-02 0.942E-02 RMM: 6 -0.326239005588E+03 0.49551E-04 -0.38429E-05 3013 0.189E-02 0.522E-02 RMM: 7 -0.326239008728E+03 -0.31402E-05 -0.22768E-05 2563 0.147E-02 3081 T= 7225. E= 0.67487194E+03 F= 0.63002998E+03 E0= 0.65843446E+03 EK= 0.58834E+02 SP= -.14E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325433026326E+03 0.80598E+00 -0.14281E-01 8496 0.254E+01 0.257E-01 RMM: 2 -0.325453661378E+03 -0.20635E-01 -0.13013E-01 5186 0.827E-01 0.118E+00 RMM: 3 -0.325443690049E+03 0.99713E-02 -0.13588E-02 5504 0.258E-01 0.277E-01 RMM: 4 -0.325443162053E+03 0.52800E-03 -0.11773E-03 4800 0.727E-02 0.106E-01 RMM: 5 -0.325443110504E+03 0.51549E-04 -0.15744E-04 3888 0.322E-02 0.939E-02 RMM: 6 -0.325443063118E+03 0.47387E-04 -0.36254E-05 2962 0.183E-02 0.566E-02 RMM: 7 -0.325443066196E+03 -0.30779E-05 -0.29061E-05 2645 0.168E-02 3082 T= 7137. E= 0.67488169E+03 F= 0.63082592E+03 E0= 0.65922050E+03 EK= 0.58121E+02 SP= -.14E+02 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324649586609E+03 0.79348E+00 -0.13635E-01 8128 0.252E+01 0.253E-01 RMM: 2 -0.324671267317E+03 -0.21681E-01 -0.12053E-01 5180 0.805E-01 0.129E+00 RMM: 3 -0.324659299062E+03 0.11968E-01 -0.12702E-02 5450 0.254E-01 0.237E-01 RMM: 4 -0.324658933276E+03 0.36579E-03 -0.11755E-03 4807 0.727E-02 0.112E-01 RMM: 5 -0.324658881355E+03 0.51921E-04 -0.15146E-04 3876 0.314E-02 0.958E-02 RMM: 6 -0.324658830547E+03 0.50809E-04 -0.40455E-05 3035 0.194E-02 0.532E-02 RMM: 7 -0.324658833072E+03 -0.25250E-05 -0.19909E-05 2543 0.142E-02 3083 T= 7048. E= 0.67489146E+03 F= 0.63161016E+03 E0= 0.65999941E+03 EK= 0.57393E+02 SP= -.14E+02 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324004444485E+03 0.65439E+00 -0.12884E-01 7816 0.249E+01 0.265E-01 RMM: 2 -0.324024235480E+03 -0.19791E-01 -0.11699E-01 4989 0.814E-01 0.121E+00 RMM: 3 -0.324013907471E+03 0.10328E-01 -0.13826E-02 5485 0.265E-01 0.280E-01 RMM: 4 -0.324013346812E+03 0.56066E-03 -0.11993E-03 4768 0.739E-02 0.103E-01 RMM: 5 -0.324013310655E+03 0.36157E-04 -0.17340E-04 3906 0.347E-02 0.965E-02 RMM: 6 -0.324013255523E+03 0.55132E-04 -0.39500E-05 3001 0.190E-02 0.520E-02 RMM: 7 -0.324013255262E+03 0.26158E-06 -0.21604E-05 2522 0.151E-02 3084 T= 6972. E= 0.67489784E+03 F= 0.63225573E+03 E0= 0.66064445E+03 EK= 0.56776E+02 SP= -.14E+02 SK= 0.29E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323580052094E+03 0.43320E+00 -0.12283E-01 7712 0.247E+01 0.250E-01 RMM: 2 -0.323600349631E+03 -0.20298E-01 -0.10088E-01 5117 0.750E-01 0.133E+00 RMM: 3 -0.323587866850E+03 0.12483E-01 -0.11399E-02 5412 0.248E-01 0.219E-01 RMM: 4 -0.323587561135E+03 0.30572E-03 -0.10884E-03 4743 0.689E-02 0.104E-01 RMM: 5 -0.323587523087E+03 0.38047E-04 -0.14698E-04 3871 0.325E-02 0.937E-02 RMM: 6 -0.323587470529E+03 0.52558E-04 -0.40851E-05 3043 0.194E-02 0.457E-02 RMM: 7 -0.323587471098E+03 -0.56907E-06 -0.17390E-05 2516 0.135E-02 3085 T= 6920. E= 0.67490039E+03 F= 0.63268152E+03 E0= 0.66107381E+03 EK= 0.56356E+02 SP= -.14E+02 SK= 0.52E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.323399619483E+03 0.18785E+00 -0.12040E-01 7952 0.246E+01 0.283E-01 RMM: 2 -0.323421720656E+03 -0.22101E-01 -0.11423E-01 5037 0.811E-01 0.136E+00 RMM: 3 -0.323408708012E+03 0.13013E-01 -0.14102E-02 5444 0.273E-01 0.310E-01 RMM: 4 -0.323408035493E+03 0.67252E-03 -0.13819E-03 4790 0.800E-02 0.105E-01 RMM: 5 -0.323408004788E+03 0.30705E-04 -0.20524E-04 3904 0.361E-02 0.105E-01 RMM: 6 -0.323407935881E+03 0.68907E-04 -0.49864E-05 3163 0.212E-02 0.508E-02 RMM: 7 -0.323407933518E+03 0.23629E-05 -0.20553E-05 2522 0.144E-02 3086 T= 6897. E= 0.67490030E+03 F= 0.63286106E+03 E0= 0.66125963E+03 EK= 0.56163E+02 SP= -.14E+02 SK= 0.86E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323453631207E+03 -0.45695E-01 -0.12652E-01 8312 0.245E+01 0.270E-01 RMM: 2 -0.323476245679E+03 -0.22614E-01 -0.11468E-01 5325 0.790E-01 0.139E+00 RMM: 3 -0.323462619430E+03 0.13626E-01 -0.12324E-02 5436 0.255E-01 0.274E-01 RMM: 4 -0.323462112853E+03 0.50658E-03 -0.12721E-03 4750 0.754E-02 0.110E-01 RMM: 5 -0.323462061186E+03 0.51667E-04 -0.16285E-04 3899 0.326E-02 0.996E-02 RMM: 6 -0.323462006554E+03 0.54632E-04 -0.38440E-05 2977 0.191E-02 0.567E-02 RMM: 7 -0.323462008640E+03 -0.20863E-05 -0.23228E-05 2565 0.152E-02 3087 T= 6900. E= 0.67489911E+03 F= 0.63280698E+03 E0= 0.66121272E+03 EK= 0.56186E+02 SP= -.14E+02 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323713167135E+03 -0.25116E+00 -0.14133E-01 8384 0.245E+01 0.305E-01 RMM: 2 -0.323740473407E+03 -0.27306E-01 -0.13775E-01 5084 0.873E-01 0.152E+00 RMM: 3 -0.323724273575E+03 0.16200E-01 -0.16681E-02 5527 0.290E-01 0.329E-01 RMM: 4 -0.323723465292E+03 0.80828E-03 -0.15993E-03 4869 0.856E-02 0.123E-01 RMM: 5 -0.323723409605E+03 0.55686E-04 -0.23468E-04 3919 0.380E-02 0.106E-01 RMM: 6 -0.323723338712E+03 0.70893E-04 -0.54073E-05 3221 0.218E-02 0.575E-02 RMM: 7 -0.323723336628E+03 0.20842E-05 -0.23225E-05 2560 0.151E-02 3088 T= 6926. E= 0.67489765E+03 F= 0.63254565E+03 E0= 0.66095770E+03 EK= 0.56399E+02 SP= -.14E+02 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324159121410E+03 -0.43578E+00 -0.14414E-01 8336 0.246E+01 0.313E-01 RMM: 2 -0.324189450617E+03 -0.30329E-01 -0.12937E-01 5350 0.827E-01 0.171E+00 RMM: 3 -0.324169114953E+03 0.20336E-01 -0.14806E-02 5399 0.283E-01 0.302E-01 RMM: 4 -0.324168461167E+03 0.65379E-03 -0.16167E-03 4840 0.840E-02 0.117E-01 RMM: 5 -0.324168397850E+03 0.63317E-04 -0.19942E-04 3913 0.344E-02 0.102E-01 RMM: 6 -0.324168337631E+03 0.60220E-04 -0.42046E-05 3021 0.199E-02 0.587E-02 RMM: 7 -0.324168335882E+03 0.17488E-05 -0.22455E-05 2545 0.148E-02 3089 T= 6972. E= 0.67489610E+03 F= 0.63210065E+03 E0= 0.66051568E+03 EK= 0.56779E+02 SP= -.14E+02 SK= 0.96E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324768134891E+03 -0.59980E+00 -0.14306E-01 8568 0.247E+01 0.293E-01 RMM: 2 -0.324794819034E+03 -0.26684E-01 -0.13102E-01 5284 0.821E-01 0.153E+00 RMM: 3 -0.324778401805E+03 0.16417E-01 -0.14359E-02 5444 0.275E-01 0.318E-01 RMM: 4 -0.324777690132E+03 0.71167E-03 -0.14635E-03 4804 0.798E-02 0.113E-01 RMM: 5 -0.324777634100E+03 0.56032E-04 -0.20360E-04 3906 0.371E-02 0.945E-02 RMM: 6 -0.324777575779E+03 0.58321E-04 -0.47361E-05 3095 0.201E-02 0.558E-02 RMM: 7 -0.324777574161E+03 0.16175E-05 -0.28284E-05 2592 0.166E-02 3090 T= 7037. E= 0.67489396E+03 F= 0.63149142E+03 E0= 0.65990560E+03 EK= 0.57302E+02 SP= -.14E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325519860596E+03 -0.74228E+00 -0.14109E-01 8392 0.248E+01 0.288E-01 RMM: 2 -0.325548459919E+03 -0.28599E-01 -0.13080E-01 5357 0.806E-01 0.159E+00 RMM: 3 -0.325530016578E+03 0.18443E-01 -0.13392E-02 5406 0.267E-01 0.303E-01 RMM: 4 -0.325529389219E+03 0.62736E-03 -0.14694E-03 4771 0.809E-02 0.113E-01 RMM: 5 -0.325529338070E+03 0.51149E-04 -0.19557E-04 3903 0.351E-02 0.102E-01 RMM: 6 -0.325529272368E+03 0.65702E-04 -0.46302E-05 3116 0.206E-02 0.505E-02 RMM: 7 -0.325529270654E+03 0.17138E-05 -0.19659E-05 2526 0.139E-02 3091 T= 7115. E= 0.67489166E+03 F= 0.63073972E+03 E0= 0.65914988E+03 EK= 0.57944E+02 SP= -.14E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326391433372E+03 -0.86216E+00 -0.14167E-01 8304 0.250E+01 0.285E-01 RMM: 2 -0.326418427605E+03 -0.26994E-01 -0.13194E-01 5312 0.824E-01 0.154E+00 RMM: 3 -0.326401838259E+03 0.16589E-01 -0.13443E-02 5491 0.264E-01 0.311E-01 RMM: 4 -0.326401140836E+03 0.69742E-03 -0.13560E-03 4786 0.783E-02 0.994E-02 RMM: 5 -0.326401105994E+03 0.34842E-04 -0.17639E-04 3901 0.335E-02 0.947E-02 RMM: 6 -0.326401052588E+03 0.53406E-04 -0.39278E-05 2997 0.188E-02 0.534E-02 RMM: 7 -0.326401053169E+03 -0.58130E-06 -0.22706E-05 2561 0.148E-02 3092 T= 7206. E= 0.67488877E+03 F= 0.62986794E+03 E0= 0.65827286E+03 EK= 0.58678E+02 SP= -.14E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327359746884E+03 -0.95869E+00 -0.13836E-01 8216 0.252E+01 0.287E-01 RMM: 2 -0.327385303921E+03 -0.25557E-01 -0.13254E-01 5220 0.839E-01 0.145E+00 RMM: 3 -0.327370416133E+03 0.14888E-01 -0.14349E-02 5444 0.273E-01 0.292E-01 RMM: 4 -0.327369799010E+03 0.61712E-03 -0.13934E-03 4814 0.781E-02 0.107E-01 RMM: 5 -0.327369767554E+03 0.31456E-04 -0.18745E-04 3913 0.352E-02 0.103E-01 RMM: 6 -0.327369701730E+03 0.65824E-04 -0.45472E-05 3102 0.202E-02 0.496E-02 RMM: 7 -0.327369702973E+03 -0.12432E-05 -0.19168E-05 2529 0.140E-02 3093 T= 7304. E= 0.67488575E+03 F= 0.62889929E+03 E0= 0.65729960E+03 EK= 0.59477E+02 SP= -.14E+02 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328397899211E+03 -0.10282E+01 -0.13489E-01 7912 0.254E+01 0.276E-01 RMM: 2 -0.328422330949E+03 -0.24432E-01 -0.14373E-01 5059 0.882E-01 0.134E+00 RMM: 3 -0.328409721169E+03 0.12610E-01 -0.16322E-02 5520 0.283E-01 0.272E-01 RMM: 4 -0.328409185570E+03 0.53560E-03 -0.13525E-03 4928 0.756E-02 0.102E-01 RMM: 5 -0.328409152424E+03 0.33146E-04 -0.17241E-04 3910 0.345E-02 0.100E-01 RMM: 6 -0.328409091571E+03 0.60852E-04 -0.45110E-05 3101 0.198E-02 0.506E-02 RMM: 7 -0.328409093423E+03 -0.18513E-05 -0.27527E-05 2590 0.164E-02 3094 T= 7406. E= 0.67488152E+03 F= 0.62785990E+03 E0= 0.65625901E+03 EK= 0.60309E+02 SP= -.13E+02 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329466664635E+03 -0.10576E+01 -0.12874E-01 7696 0.256E+01 0.238E-01 RMM: 2 -0.329487814689E+03 -0.21150E-01 -0.12780E-01 5096 0.833E-01 0.122E+00 RMM: 3 -0.329477153024E+03 0.10662E-01 -0.13163E-02 5609 0.248E-01 0.239E-01 RMM: 4 -0.329476717150E+03 0.43587E-03 -0.10679E-03 4759 0.709E-02 0.101E-01 RMM: 5 -0.329476684058E+03 0.33092E-04 -0.15114E-04 3869 0.320E-02 0.950E-02 RMM: 6 -0.329476630668E+03 0.53390E-04 -0.40364E-05 3030 0.192E-02 0.461E-02 RMM: 7 -0.329476635415E+03 -0.47471E-05 -0.20613E-05 2534 0.142E-02 3095 T= 7506. E= 0.67487629E+03 F= 0.62679235E+03 E0= 0.65519581E+03 EK= 0.61125E+02 SP= -.13E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330501564696E+03 -0.10249E+01 -0.12689E-01 7656 0.258E+01 0.216E-01 RMM: 2 -0.330517821277E+03 -0.16257E-01 -0.11559E-01 5107 0.801E-01 0.962E-01 RMM: 3 -0.330511123736E+03 0.66975E-02 -0.11665E-02 5646 0.228E-01 0.211E-01 RMM: 4 -0.330510785633E+03 0.33810E-03 -0.82939E-04 4755 0.628E-02 0.980E-02 RMM: 5 -0.330510728431E+03 0.57202E-04 -0.11765E-04 3790 0.289E-02 0.787E-02 RMM: 6 -0.330510696079E+03 0.32352E-04 -0.31055E-05 2816 0.170E-02 0.462E-02 RMM: 7 -0.330510694287E+03 0.17917E-05 -0.27554E-05 2560 0.161E-02 3096 T= 7596. E= 0.67487079E+03 F= 0.62575829E+03 E0= 0.65417297E+03 EK= 0.61859E+02 SP= -.13E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331432328094E+03 -0.92163E+00 -0.12804E-01 7656 0.259E+01 0.184E-01 RMM: 2 -0.331446462335E+03 -0.14134E-01 -0.11006E-01 5071 0.787E-01 0.829E-01 RMM: 3 -0.331441655708E+03 0.48066E-02 -0.10951E-02 5786 0.208E-01 0.173E-01 RMM: 4 -0.331441393672E+03 0.26204E-03 -0.64541E-04 4680 0.590E-02 0.113E-01 RMM: 5 -0.331441317055E+03 0.76617E-04 -0.11056E-04 3758 0.288E-02 0.770E-02 RMM: 6 -0.331441286182E+03 0.30873E-04 -0.29721E-05 2806 0.167E-02 0.461E-02 RMM: 7 -0.331441281923E+03 0.42590E-05 -0.28419E-05 2544 0.163E-02 3097 T= 7667. E= 0.67486527E+03 F= 0.62482771E+03 E0= 0.65326052E+03 EK= 0.62438E+02 SP= -.13E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332191148527E+03 -0.74986E+00 -0.12691E-01 7808 0.260E+01 0.189E-01 RMM: 2 -0.332204467184E+03 -0.13319E-01 -0.11157E-01 5030 0.800E-01 0.748E-01 RMM: 3 -0.332200612404E+03 0.38548E-02 -0.11816E-02 5857 0.212E-01 0.154E-01 RMM: 4 -0.332200370474E+03 0.24193E-03 -0.61897E-04 4773 0.565E-02 0.120E-01 RMM: 5 -0.332200268761E+03 0.10171E-03 -0.10326E-04 3716 0.282E-02 0.670E-02 RMM: 6 -0.332200248997E+03 0.19764E-04 -0.27351E-05 2599 0.157E-02 3098 T= 7711. E= 0.67486136E+03 F= 0.62406874E+03 E0= 0.65252680E+03 EK= 0.62791E+02 SP= -.12E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332726032625E+03 -0.52576E+00 -0.13023E-01 7696 0.261E+01 0.187E-01 RMM: 2 -0.332741149646E+03 -0.15117E-01 -0.11418E-01 5035 0.797E-01 0.871E-01 RMM: 3 -0.332735791275E+03 0.53584E-02 -0.11655E-02 5658 0.217E-01 0.170E-01 RMM: 4 -0.332735532384E+03 0.25889E-03 -0.68369E-04 4780 0.573E-02 0.102E-01 RMM: 5 -0.332735458978E+03 0.73406E-04 -0.98415E-05 3753 0.276E-02 0.665E-02 RMM: 6 -0.332735443943E+03 0.15035E-04 -0.26442E-05 2569 0.151E-02 3099 T= 7720. E= 0.67485972E+03 F= 0.62353355E+03 E0= 0.65202413E+03 EK= 0.62867E+02 SP= -.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333012506781E+03 -0.27705E+00 -0.12770E-01 7520 0.261E+01 0.300E-01 RMM: 2 -0.333041426338E+03 -0.28920E-01 -0.11817E-01 5052 0.845E-01 0.168E+00 RMM: 3 -0.333021892535E+03 0.19534E-01 -0.14678E-02 5401 0.281E-01 0.270E-01 RMM: 4 -0.333021387060E+03 0.50547E-03 -0.15276E-03 4746 0.817E-02 0.105E-01 RMM: 5 -0.333021348539E+03 0.38521E-04 -0.18334E-04 3939 0.337E-02 0.103E-01 RMM: 6 -0.333021283944E+03 0.64595E-04 -0.41912E-05 2995 0.195E-02 0.517E-02 RMM: 7 -0.333021287068E+03 -0.31234E-05 -0.31405E-05 2650 0.171E-02 3100 T= 7692. E= 0.67486014E+03 F= 0.62324770E+03 E0= 0.65177737E+03 EK= 0.62640E+02 SP= -.11E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333054329786E+03 -0.33046E-01 -0.12456E-01 7656 0.260E+01 0.235E-01 RMM: 2 -0.333074876632E+03 -0.20547E-01 -0.12320E-01 4954 0.834E-01 0.121E+00 RMM: 3 -0.333064621882E+03 0.10255E-01 -0.13595E-02 5473 0.255E-01 0.262E-01 RMM: 4 -0.333064182167E+03 0.43972E-03 -0.12659E-03 4789 0.779E-02 0.117E-01 RMM: 5 -0.333064117549E+03 0.64618E-04 -0.18609E-04 3889 0.355E-02 0.962E-02 RMM: 6 -0.333064057183E+03 0.60366E-04 -0.40332E-05 3001 0.188E-02 0.413E-02 RMM: 7 -0.333064055354E+03 0.18291E-05 -0.29194E-05 2563 0.166E-02 3101 T= 7628. E= 0.67486255E+03 F= 0.62320493E+03 E0= 0.65177879E+03 EK= 0.62122E+02 SP= -.11E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332886141171E+03 0.17792E+00 -0.12808E-01 7792 0.258E+01 0.218E-01 RMM: 2 -0.332906656893E+03 -0.20516E-01 -0.13377E-01 4835 0.886E-01 0.114E+00 RMM: 3 -0.332897627125E+03 0.90298E-02 -0.15688E-02 5758 0.252E-01 0.175E-01 RMM: 4 -0.332897291708E+03 0.33542E-03 -0.90786E-04 4748 0.677E-02 0.109E-01 RMM: 5 -0.332897221613E+03 0.70095E-04 -0.13178E-04 3896 0.309E-02 0.824E-02 RMM: 6 -0.332897184231E+03 0.37382E-04 -0.33019E-05 2722 0.170E-02 0.522E-02 RMM: 7 -0.332897179380E+03 0.48513E-05 -0.35847E-05 2695 0.176E-02 3102 T= 7534. E= 0.67486671E+03 F= 0.62337181E+03 E0= 0.65199202E+03 EK= 0.61351E+02 SP= -.10E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332562140059E+03 0.33504E+00 -0.12629E-01 7784 0.256E+01 0.162E-01 RMM: 2 -0.332576640328E+03 -0.14500E-01 -0.12912E-01 4791 0.864E-01 0.650E-01 RMM: 3 -0.332573698804E+03 0.29415E-02 -0.15146E-02 6085 0.228E-01 0.139E-01 RMM: 4 -0.332573395844E+03 0.30296E-03 -0.62983E-04 4719 0.617E-02 0.115E-01 RMM: 5 -0.332573303168E+03 0.92677E-04 -0.99808E-05 3657 0.305E-02 0.586E-02 RMM: 6 -0.332573288880E+03 0.14288E-04 -0.26307E-05 2555 0.154E-02 3103 T= 7415. E= 0.67487155E+03 F= 0.62369570E+03 E0= 0.65236212E+03 EK= 0.60387E+02 SP= -.99E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332139540139E+03 0.43376E+00 -0.13567E-01 7600 0.254E+01 0.175E-01 RMM: 2 -0.332159713654E+03 -0.20174E-01 -0.15482E-01 4758 0.943E-01 0.928E-01 RMM: 3 -0.332153427241E+03 0.62864E-02 -0.18098E-02 5908 0.252E-01 0.138E-01 RMM: 4 -0.332153080804E+03 0.34644E-03 -0.76376E-04 4859 0.643E-02 0.101E-01 RMM: 5 -0.332153009594E+03 0.71210E-04 -0.10608E-04 3965 0.295E-02 0.627E-02 RMM: 6 -0.332152996982E+03 0.12612E-04 -0.25388E-05 2548 0.155E-02 3104 T= 7282. E= 0.67487608E+03 F= 0.62411599E+03 E0= 0.65282500E+03 EK= 0.59298E+02 SP= -.93E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331677509236E+03 0.47550E+00 -0.13273E-01 7472 0.252E+01 0.240E-01 RMM: 2 -0.331700708442E+03 -0.23199E-01 -0.12609E-01 4771 0.869E-01 0.133E+00 RMM: 3 -0.331688348093E+03 0.12360E-01 -0.15801E-02 5502 0.275E-01 0.222E-01 RMM: 4 -0.331687952423E+03 0.39567E-03 -0.11743E-03 4815 0.720E-02 0.906E-02 RMM: 5 -0.331687912747E+03 0.39676E-04 -0.14198E-04 4007 0.311E-02 0.780E-02 RMM: 6 -0.331687879792E+03 0.32955E-04 -0.29420E-05 2650 0.162E-02 0.502E-02 RMM: 7 -0.331687888764E+03 -0.89716E-05 -0.26867E-05 2579 0.159E-02 3105 T= 7140. E= 0.67487882E+03 F= 0.62458110E+03 E0= 0.65332644E+03 EK= 0.58141E+02 SP= -.87E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331196875904E+03 0.49100E+00 -0.12892E-01 7704 0.250E+01 0.244E-01 RMM: 2 -0.331217902457E+03 -0.21027E-01 -0.12520E-01 4711 0.870E-01 0.122E+00 RMM: 3 -0.331207574355E+03 0.10328E-01 -0.15565E-02 5532 0.269E-01 0.238E-01 RMM: 4 -0.331207170194E+03 0.40416E-03 -0.12815E-03 4859 0.790E-02 0.118E-01 RMM: 5 -0.331207173492E+03 -0.32981E-05 -0.19702E-04 3911 0.363E-02 3106 T= 6994. E= 0.67488072E+03 F= 0.62506182E+03 E0= 0.65383523E+03 EK= 0.56955E+02 SP= -.80E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330704815081E+03 0.50236E+00 -0.12990E-01 7744 0.248E+01 0.176E-01 RMM: 2 -0.330722029787E+03 -0.17215E-01 -0.12156E-01 4769 0.850E-01 0.960E-01 RMM: 3 -0.330715625571E+03 0.64042E-02 -0.14677E-02 5729 0.244E-01 0.153E-01 RMM: 4 -0.330715370155E+03 0.25542E-03 -0.70527E-04 5017 0.578E-02 0.872E-02 RMM: 5 -0.330715317618E+03 0.52537E-04 -0.89913E-05 3755 0.282E-02 0.694E-02 RMM: 6 -0.330715303658E+03 0.13960E-04 -0.29415E-05 2597 0.165E-02 3107 T= 6846. E= 0.67488141E+03 F= 0.62555369E+03 E0= 0.65434428E+03 EK= 0.55752E+02 SP= -.73E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330185645689E+03 0.52967E+00 -0.12415E-01 7560 0.246E+01 0.283E-01 RMM: 2 -0.330216398044E+03 -0.30752E-01 -0.10869E-01 4693 0.820E-01 0.178E+00 RMM: 3 -0.330194472963E+03 0.21925E-01 -0.15961E-02 5398 0.297E-01 0.232E-01 RMM: 4 -0.330194089660E+03 0.38330E-03 -0.14568E-03 4924 0.755E-02 0.849E-02 RMM: 5 -0.330194082217E+03 0.74436E-05 -0.15799E-04 3925 0.326E-02 3108 T= 6695. E= 0.67488026E+03 F= 0.62607491E+03 E0= 0.65487235E+03 EK= 0.54519E+02 SP= -.67E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329596712216E+03 0.59738E+00 -0.12132E-01 7816 0.245E+01 0.287E-01 RMM: 2 -0.329627477574E+03 -0.30765E-01 -0.96661E-02 4882 0.771E-01 0.181E+00 RMM: 3 -0.329604457138E+03 0.23020E-01 -0.14551E-02 5380 0.289E-01 0.240E-01 RMM: 4 -0.329604061297E+03 0.39584E-03 -0.14030E-03 4876 0.755E-02 0.102E-01 RMM: 5 -0.329604017606E+03 0.43692E-04 -0.15191E-04 3900 0.326E-02 0.937E-02 RMM: 6 -0.329603962795E+03 0.54810E-04 -0.37642E-05 2936 0.183E-02 0.479E-02 RMM: 7 -0.329603969521E+03 -0.67255E-05 -0.26710E-05 2579 0.158E-02 3109 T= 6536. E= 0.67487891E+03 F= 0.62666502E+03 E0= 0.65545976E+03 EK= 0.53225E+02 SP= -.60E+01 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328892649933E+03 0.71131E+00 -0.12468E-01 7808 0.243E+01 0.225E-01 RMM: 2 -0.328910634669E+03 -0.17985E-01 -0.10448E-01 4661 0.806E-01 0.115E+00 RMM: 3 -0.328901533780E+03 0.91009E-02 -0.13246E-02 5509 0.249E-01 0.210E-01 RMM: 4 -0.328901250172E+03 0.28361E-03 -0.10212E-03 4747 0.699E-02 0.111E-01 RMM: 5 -0.328901244466E+03 0.57052E-05 -0.16160E-04 3880 0.333E-02 3110 T= 6365. E= 0.67487795E+03 F= 0.62736774E+03 E0= 0.65615292E+03 EK= 0.51835E+02 SP= -.53E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328041847168E+03 0.85940E+00 -0.11875E-01 7760 0.240E+01 0.143E-01 RMM: 2 -0.328055477958E+03 -0.13631E-01 -0.10862E-01 4806 0.790E-01 0.735E-01 RMM: 3 -0.328051597171E+03 0.38808E-02 -0.12669E-02 5815 0.218E-01 0.136E-01 RMM: 4 -0.328051364716E+03 0.23245E-03 -0.54575E-04 4637 0.544E-02 0.871E-02 RMM: 5 -0.328051311476E+03 0.53240E-04 -0.78629E-05 3523 0.268E-02 0.649E-02 RMM: 6 -0.328051298787E+03 0.12690E-04 -0.25548E-05 2532 0.150E-02 3111 T= 6180. E= 0.67487860E+03 F= 0.62821769E+03 E0= 0.65698785E+03 EK= 0.50324E+02 SP= -.46E+01 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327035516865E+03 0.10158E+01 -0.12049E-01 7600 0.237E+01 0.195E-01 RMM: 2 -0.327051394781E+03 -0.15878E-01 -0.95490E-02 4792 0.742E-01 0.104E+00 RMM: 3 -0.327043717143E+03 0.76776E-02 -0.11619E-02 5496 0.231E-01 0.180E-01 RMM: 4 -0.327043469276E+03 0.24787E-03 -0.81593E-04 4842 0.596E-02 0.819E-02 RMM: 5 -0.327043438629E+03 0.30647E-04 -0.98609E-05 3745 0.281E-02 0.640E-02 RMM: 6 -0.327043417312E+03 0.21318E-04 -0.24934E-05 2567 0.152E-02 0.417E-02 RMM: 7 -0.327043425904E+03 -0.85930E-05 -0.18635E-05 2515 0.135E-02 3112 T= 5979. E= 0.67488086E+03 F= 0.62922556E+03 E0= 0.65797882E+03 EK= 0.48688E+02 SP= -.39E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325894583712E+03 0.11488E+01 -0.11362E-01 7824 0.234E+01 0.299E-01 RMM: 2 -0.325916169601E+03 -0.21586E-01 -0.10116E-01 4870 0.781E-01 0.143E+00 RMM: 3 -0.325902564409E+03 0.13605E-01 -0.14136E-02 5443 0.273E-01 0.316E-01 RMM: 4 -0.325901892173E+03 0.67224E-03 -0.14612E-03 4919 0.821E-02 0.111E-01 RMM: 5 -0.325901934280E+03 -0.42107E-04 -0.23900E-04 3890 0.383E-02 0.144E-01 RMM: 6 -0.325901793928E+03 0.14035E-03 -0.81636E-05 3535 0.268E-02 0.326E-02 RMM: 7 -0.325901790317E+03 0.36111E-05 -0.14140E-05 2512 0.110E-02 3113 T= 5767. E= 0.67488598E+03 F= 0.63036720E+03 E0= 0.65910354E+03 EK= 0.46960E+02 SP= -.33E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324682793745E+03 0.12190E+01 -0.10914E-01 7720 0.229E+01 0.207E-01 RMM: 2 -0.324697799975E+03 -0.15006E-01 -0.79750E-02 5158 0.656E-01 0.110E+00 RMM: 3 -0.324689262623E+03 0.85374E-02 -0.83551E-03 5486 0.201E-01 0.198E-01 RMM: 4 -0.324688984653E+03 0.27797E-03 -0.71724E-04 4697 0.562E-02 0.927E-02 RMM: 5 -0.324688935095E+03 0.49558E-04 -0.93315E-05 3756 0.262E-02 0.679E-02 RMM: 6 -0.324688906806E+03 0.28290E-04 -0.23491E-05 2582 0.149E-02 0.423E-02 RMM: 7 -0.324688909601E+03 -0.27953E-05 -0.19778E-05 2528 0.132E-02 3114 T= 5552. E= 0.67489347E+03 F= 0.63158008E+03 E0= 0.66030124E+03 EK= 0.45210E+02 SP= -.26E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323494128509E+03 0.11948E+01 -0.10394E-01 7744 0.224E+01 0.196E-01 RMM: 2 -0.323505288358E+03 -0.11160E-01 -0.79098E-02 5072 0.667E-01 0.811E-01 RMM: 3 -0.323500615995E+03 0.46724E-02 -0.88442E-03 5593 0.198E-01 0.184E-01 RMM: 4 -0.323500356860E+03 0.25914E-03 -0.65409E-04 4698 0.545E-02 0.841E-02 RMM: 5 -0.323500343766E+03 0.13094E-04 -0.95583E-05 3690 0.263E-02 3115 T= 5346. E= 0.67490289E+03 F= 0.63276865E+03 E0= 0.66147765E+03 EK= 0.43536E+02 SP= -.20E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322446076838E+03 0.10543E+01 -0.10082E-01 7664 0.219E+01 0.129E-01 RMM: 2 -0.322455623732E+03 -0.95469E-02 -0.77525E-02 5337 0.620E-01 0.621E-01 RMM: 3 -0.322452573057E+03 0.30507E-02 -0.62988E-03 5972 0.149E-01 0.118E-01 RMM: 4 -0.322452419242E+03 0.15381E-03 -0.29761E-04 4084 0.399E-02 0.939E-02 RMM: 5 -0.322452361918E+03 0.57325E-04 -0.45767E-05 3111 0.209E-02 0.620E-02 RMM: 6 -0.322452352357E+03 0.95604E-05 -0.20631E-05 2518 0.131E-02 3116 T= 5164. E= 0.67491242E+03 F= 0.63381664E+03 E0= 0.66251647E+03 EK= 0.42056E+02 SP= -.15E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321660394732E+03 0.79197E+00 -0.96737E-02 7560 0.214E+01 0.247E-01 RMM: 2 -0.321679160484E+03 -0.18766E-01 -0.71397E-02 5139 0.630E-01 0.139E+00 RMM: 3 -0.321666009447E+03 0.13151E-01 -0.93280E-03 5440 0.222E-01 0.236E-01 RMM: 4 -0.321665616168E+03 0.39328E-03 -0.97186E-04 4648 0.641E-02 0.866E-02 RMM: 5 -0.321665610456E+03 0.57123E-05 -0.13381E-04 3849 0.297E-02 3117 T= 5021. E= 0.67492064E+03 F= 0.63460338E+03 E0= 0.66329705E+03 EK= 0.40890E+02 SP= -.10E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321240563430E+03 0.42505E+00 -0.93772E-02 7848 0.211E+01 0.253E-01 RMM: 2 -0.321261734734E+03 -0.21171E-01 -0.73333E-02 5313 0.625E-01 0.150E+00 RMM: 3 -0.321246257048E+03 0.15478E-01 -0.91026E-03 5464 0.220E-01 0.243E-01 RMM: 4 -0.321245839103E+03 0.41795E-03 -0.10132E-03 4656 0.669E-02 0.926E-02 RMM: 5 -0.321245813479E+03 0.25624E-04 -0.12906E-04 3861 0.280E-02 0.925E-02 RMM: 6 -0.321245763902E+03 0.49577E-04 -0.32833E-05 2895 0.179E-02 0.435E-02 RMM: 7 -0.321245765899E+03 -0.19971E-05 -0.18009E-05 2522 0.125E-02 3118 T= 4929. E= 0.67492681E+03 F= 0.63502322E+03 E0= 0.66371363E+03 EK= 0.40141E+02 SP= -.57E+00 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321261285628E+03 -0.15522E-01 -0.96409E-02 8024 0.209E+01 0.227E-01 RMM: 2 -0.321276908905E+03 -0.15623E-01 -0.75872E-02 4994 0.643E-01 0.118E+00 RMM: 3 -0.321267384657E+03 0.95242E-02 -0.90644E-03 5475 0.205E-01 0.192E-01 RMM: 4 -0.321267133882E+03 0.25078E-03 -0.84253E-04 4740 0.597E-02 0.103E-01 RMM: 5 -0.321267124609E+03 0.92729E-05 -0.13426E-04 3819 0.292E-02 3119 T= 4897. E= 0.67493006E+03 F= 0.63500186E+03 E0= 0.66369035E+03 EK= 0.39880E+02 SP= -.19E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321754054954E+03 -0.48692E+00 -0.93886E-02 8008 0.208E+01 0.140E-01 RMM: 2 -0.321763504831E+03 -0.94499E-02 -0.71862E-02 5124 0.613E-01 0.670E-01 RMM: 3 -0.321760224182E+03 0.32806E-02 -0.73479E-03 5770 0.166E-01 0.115E-01 RMM: 4 -0.321760076117E+03 0.14806E-03 -0.41241E-04 4457 0.432E-02 0.841E-02 RMM: 5 -0.321760021638E+03 0.54480E-04 -0.51835E-05 3185 0.212E-02 0.493E-02 RMM: 6 -0.321760012321E+03 0.93165E-05 -0.18775E-05 2510 0.127E-02 3120 T= 4928. E= 0.67492984E+03 F= 0.63450898E+03 E0= 0.66319494E+03 EK= 0.40134E+02 SP= 0.12E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322699519787E+03 -0.93950E+00 -0.99251E-02 7704 0.210E+01 0.149E-01 RMM: 2 -0.322711383638E+03 -0.11864E-01 -0.89698E-02 4776 0.692E-01 0.728E-01 RMM: 3 -0.322707491605E+03 0.38920E-02 -0.10363E-02 5779 0.192E-01 0.151E-01 RMM: 4 -0.322707231727E+03 0.25988E-03 -0.53574E-04 4751 0.502E-02 0.710E-02 RMM: 5 -0.322707202763E+03 0.28964E-04 -0.67892E-05 3409 0.228E-02 0.553E-02 RMM: 6 -0.322707188766E+03 0.13997E-04 -0.21152E-05 2526 0.140E-02 3121 T= 5020. E= 0.67492524E+03 F= 0.63356180E+03 E0= 0.66224361E+03 EK= 0.40880E+02 SP= 0.38E+00 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324039743377E+03 -0.13325E+01 -0.92077E-02 7640 0.213E+01 0.309E-01 RMM: 2 -0.324065768907E+03 -0.26026E-01 -0.86358E-02 5009 0.709E-01 0.170E+00 RMM: 3 -0.324046204041E+03 0.19565E-01 -0.13133E-02 5410 0.271E-01 0.276E-01 RMM: 4 -0.324045637970E+03 0.56607E-03 -0.14693E-03 4691 0.791E-02 0.904E-02 RMM: 5 -0.324045641672E+03 -0.37015E-05 -0.17979E-04 3909 0.319E-02 3122 T= 5164. E= 0.67491870E+03 F= 0.63222335E+03 E0= 0.66089691E+03 EK= 0.42056E+02 SP= 0.58E+00 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325670294305E+03 -0.16247E+01 -0.90873E-02 7936 0.218E+01 0.187E-01 RMM: 2 -0.325682742686E+03 -0.12448E-01 -0.70392E-02 5234 0.598E-01 0.957E-01 RMM: 3 -0.325676181484E+03 0.65612E-02 -0.73321E-03 5473 0.186E-01 0.194E-01 RMM: 4 -0.325675911691E+03 0.26979E-03 -0.70027E-04 4672 0.538E-02 0.859E-02 RMM: 5 -0.325675865780E+03 0.45911E-04 -0.86728E-05 3724 0.241E-02 0.595E-02 RMM: 6 -0.325675846405E+03 0.19375E-04 -0.18926E-05 2545 0.131E-02 3123 T= 5349. E= 0.67491051E+03 F= 0.63059314E+03 E0= 0.65925451E+03 EK= 0.43559E+02 SP= 0.73E+00 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327467895094E+03 -0.17920E+01 -0.93545E-02 7656 0.223E+01 0.199E-01 RMM: 2 -0.327482915924E+03 -0.15021E-01 -0.78001E-02 5049 0.656E-01 0.111E+00 RMM: 3 -0.327474296204E+03 0.86197E-02 -0.87292E-03 5524 0.198E-01 0.168E-01 RMM: 4 -0.327474092171E+03 0.20403E-03 -0.74196E-04 4652 0.571E-02 0.923E-02 RMM: 5 -0.327474046028E+03 0.46143E-04 -0.97343E-05 3815 0.245E-02 0.712E-02 RMM: 6 -0.327474017853E+03 0.28176E-04 -0.22233E-05 2554 0.144E-02 0.392E-02 RMM: 7 -0.327474017108E+03 0.74491E-06 -0.22887E-05 2541 0.145E-02 3124 T= 5558. E= 0.67490041E+03 F= 0.62879497E+03 E0= 0.65743938E+03 EK= 0.45259E+02 SP= 0.83E+00 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329299862997E+03 -0.18258E+01 -0.97255E-02 7600 0.229E+01 0.224E-01 RMM: 2 -0.329315775176E+03 -0.15912E-01 -0.91223E-02 5065 0.720E-01 0.111E+00 RMM: 3 -0.329307370601E+03 0.84046E-02 -0.10407E-02 5617 0.208E-01 0.205E-01 RMM: 4 -0.329307074499E+03 0.29610E-03 -0.97353E-04 4663 0.698E-02 0.130E-01 RMM: 5 -0.329306986218E+03 0.88281E-04 -0.16404E-04 3857 0.334E-02 0.784E-02 RMM: 6 -0.329306947278E+03 0.38940E-04 -0.34644E-05 2941 0.181E-02 0.308E-02 RMM: 7 -0.329306947694E+03 -0.41621E-06 -0.15071E-05 2495 0.119E-02 3125 T= 5774. E= 0.67489032E+03 F= 0.62696204E+03 E0= 0.65558590E+03 EK= 0.47023E+02 SP= 0.90E+00 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331038185825E+03 -0.17312E+01 -0.10568E-01 7680 0.234E+01 0.167E-01 RMM: 2 -0.331051522348E+03 -0.13337E-01 -0.10083E-01 5006 0.743E-01 0.806E-01 RMM: 3 -0.331046964530E+03 0.45578E-02 -0.11193E-02 5928 0.190E-01 0.137E-01 RMM: 4 -0.331046698297E+03 0.26623E-03 -0.56735E-04 4525 0.558E-02 0.105E-01 RMM: 5 -0.331046621637E+03 0.76660E-04 -0.88621E-05 3590 0.261E-02 0.617E-02 RMM: 6 -0.331046603336E+03 0.18300E-04 -0.22606E-05 2540 0.140E-02 3126 T= 5982. E= 0.67488186E+03 F= 0.62522239E+03 E0= 0.65382349E+03 EK= 0.48718E+02 SP= 0.94E+00 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332574690323E+03 -0.15281E+01 -0.10659E-01 7472 0.238E+01 0.151E-01 RMM: 2 -0.332585977223E+03 -0.11287E-01 -0.89836E-02 5011 0.705E-01 0.692E-01 RMM: 3 -0.332582585284E+03 0.33919E-02 -0.10023E-02 5859 0.184E-01 0.115E-01 RMM: 4 -0.332582378354E+03 0.20693E-03 -0.45381E-04 4685 0.458E-02 0.870E-02 RMM: 5 -0.332582323082E+03 0.55272E-04 -0.55637E-05 3157 0.226E-02 0.556E-02 RMM: 6 -0.332582314250E+03 0.88316E-05 -0.22246E-05 2525 0.139E-02 3127 T= 6168. E= 0.67487537E+03 F= 0.62368668E+03 E0= 0.65226568E+03 EK= 0.50228E+02 SP= 0.96E+00 SK= 0.41E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333822751364E+03 -0.12404E+01 -0.10649E-01 7504 0.242E+01 0.295E-01 RMM: 2 -0.333847242670E+03 -0.24491E-01 -0.93823E-02 4959 0.767E-01 0.158E+00 RMM: 3 -0.333830069585E+03 0.17173E-01 -0.13014E-02 5385 0.265E-01 0.254E-01 RMM: 4 -0.333829610446E+03 0.45914E-03 -0.14157E-03 4683 0.774E-02 0.964E-02 RMM: 5 -0.333829603262E+03 0.71842E-05 -0.18014E-04 3887 0.335E-02 3128 T= 6320. E= 0.67487206E+03 F= 0.62243939E+03 E0= 0.65099825E+03 EK= 0.51464E+02 SP= 0.97E+00 SK= 0.41E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.334726859676E+03 -0.89725E+00 -0.10727E-01 7544 0.244E+01 0.189E-01 RMM: 2 -0.334741996333E+03 -0.15137E-01 -0.88126E-02 5008 0.711E-01 0.103E+00 RMM: 3 -0.334734530570E+03 0.74658E-02 -0.10066E-02 5458 0.212E-01 0.206E-01 RMM: 4 -0.334734223467E+03 0.30710E-03 -0.82183E-04 4695 0.605E-02 0.911E-02 RMM: 5 -0.334734178324E+03 0.45144E-04 -0.11173E-04 3835 0.278E-02 0.742E-02 RMM: 6 -0.334734146245E+03 0.32078E-04 -0.24908E-05 2555 0.149E-02 0.466E-02 RMM: 7 -0.334734145209E+03 0.10361E-05 -0.32075E-05 2626 0.167E-02 3129 T= 6431. E= 0.67487101E+03 F= 0.62153484E+03 E0= 0.65007696E+03 EK= 0.52367E+02 SP= 0.97E+00 SK= 0.16E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.335266268156E+03 -0.53212E+00 -0.10542E-01 7488 0.246E+01 0.196E-01 RMM: 2 -0.335278085680E+03 -0.11818E-01 -0.80011E-02 4795 0.696E-01 0.861E-01 RMM: 3 -0.335272948063E+03 0.51376E-02 -0.96732E-03 5572 0.203E-01 0.173E-01 RMM: 4 -0.335272752057E+03 0.19601E-03 -0.71325E-04 4648 0.602E-02 0.112E-01 RMM: 5 -0.335272696607E+03 0.55451E-04 -0.11347E-04 3749 0.284E-02 0.775E-02 RMM: 6 -0.335272659615E+03 0.36992E-04 -0.30179E-05 2817 0.170E-02 0.224E-02 RMM: 7 -0.335272664390E+03 -0.47751E-05 -0.12162E-05 2484 0.113E-02 3130 T= 6497. E= 0.67487096E+03 F= 0.62099632E+03 E0= 0.64952590E+03 EK= 0.52907E+02 SP= 0.97E+00 SK= 0.56E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.335441427358E+03 -0.16877E+00 -0.11403E-01 7568 0.246E+01 0.152E-01 RMM: 2 -0.335452965503E+03 -0.11538E-01 -0.95370E-02 4809 0.748E-01 0.673E-01 RMM: 3 -0.335449894148E+03 0.30714E-02 -0.11481E-02 5931 0.196E-01 0.128E-01 RMM: 4 -0.335449652826E+03 0.24132E-03 -0.51468E-04 4589 0.561E-02 0.101E-01 RMM: 5 -0.335449571846E+03 0.80980E-04 -0.82244E-05 3510 0.271E-02 0.522E-02 RMM: 6 -0.335449559842E+03 0.12005E-04 -0.23529E-05 2531 0.141E-02 3131 T= 6519. E= 0.67487292E+03 F= 0.62081943E+03 E0= 0.64934074E+03 EK= 0.53087E+02 SP= 0.97E+00 SK= 0.37E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.335285337854E+03 0.16423E+00 -0.11320E-01 7688 0.245E+01 0.155E-01 RMM: 2 -0.335297725271E+03 -0.12387E-01 -0.88141E-02 4746 0.715E-01 0.809E-01 RMM: 3 -0.335293103005E+03 0.46223E-02 -0.10766E-02 5691 0.206E-01 0.142E-01 RMM: 4 -0.335292884616E+03 0.21839E-03 -0.54453E-04 4796 0.520E-02 0.717E-02 RMM: 5 -0.335292850247E+03 0.34369E-04 -0.67459E-05 3388 0.248E-02 0.566E-02 RMM: 6 -0.335292839634E+03 0.10613E-04 -0.23187E-05 2529 0.148E-02 3132 T= 6500. E= 0.67487662E+03 F= 0.62097615E+03 E0= 0.64949440E+03 EK= 0.52935E+02 SP= 0.97E+00 SK= 0.20E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.334844630154E+03 0.44822E+00 -0.10856E-01 7656 0.244E+01 0.302E-01 RMM: 2 -0.334870404159E+03 -0.25774E-01 -0.83515E-02 4815 0.726E-01 0.167E+00 RMM: 3 -0.334851170091E+03 0.19234E-01 -0.13398E-02 5366 0.279E-01 0.303E-01 RMM: 4 -0.334850507789E+03 0.66230E-03 -0.14999E-03 4763 0.822E-02 0.889E-02 RMM: 5 -0.334850490577E+03 0.17211E-04 -0.17898E-04 3932 0.320E-02 3133 T= 6447. E= 0.67488237E+03 F= 0.62141850E+03 E0= 0.64993833E+03 EK= 0.52500E+02 SP= 0.96E+00 SK= 0.80E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.334177918910E+03 0.67259E+00 -0.10467E-01 7576 0.242E+01 0.213E-01 RMM: 2 -0.334196696786E+03 -0.18778E-01 -0.79753E-02 5162 0.645E-01 0.130E+00 RMM: 3 -0.334184471765E+03 0.12225E-01 -0.94367E-03 5387 0.222E-01 0.228E-01 RMM: 4 -0.334184103729E+03 0.36804E-03 -0.91676E-04 4770 0.621E-02 0.919E-02 RMM: 5 -0.334184058296E+03 0.45433E-04 -0.98312E-05 3760 0.276E-02 0.737E-02 RMM: 6 -0.334184032993E+03 0.25303E-04 -0.23888E-05 2557 0.145E-02 0.560E-02 RMM: 7 -0.334184049744E+03 -0.16750E-04 -0.33566E-05 2775 0.167E-02 3134 T= 6366. E= 0.67488929E+03 F= 0.62208494E+03 E0= 0.65061276E+03 EK= 0.51843E+02 SP= 0.96E+00 SK= 0.62E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.333362022132E+03 0.82201E+00 -0.10902E-01 7728 0.239E+01 0.233E-01 RMM: 2 -0.333377294651E+03 -0.15273E-01 -0.90834E-02 4715 0.729E-01 0.106E+00 RMM: 3 -0.333369446655E+03 0.78480E-02 -0.11390E-02 5519 0.229E-01 0.192E-01 RMM: 4 -0.333369257200E+03 0.18946E-03 -0.97036E-04 4682 0.695E-02 0.150E-01 RMM: 5 -0.333369165901E+03 0.91299E-04 -0.17618E-04 3892 0.348E-02 0.101E-01 RMM: 6 -0.333369096956E+03 0.68945E-04 -0.56704E-05 3296 0.227E-02 0.243E-02 RMM: 7 -0.333369103915E+03 -0.69598E-05 -0.15512E-05 2508 0.126E-02 3135 T= 6268. E= 0.67489555E+03 F= 0.62289989E+03 E0= 0.65144135E+03 EK= 0.51042E+02 SP= 0.95E+00 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332479421062E+03 0.88968E+00 -0.10675E-01 7944 0.236E+01 0.185E-01 RMM: 2 -0.332492272184E+03 -0.12851E-01 -0.92058E-02 5003 0.712E-01 0.852E-01 RMM: 3 -0.332487208324E+03 0.50639E-02 -0.10080E-02 5748 0.203E-01 0.181E-01 RMM: 4 -0.332486888609E+03 0.31972E-03 -0.64820E-04 4711 0.577E-02 0.964E-02 RMM: 5 -0.332486821767E+03 0.66842E-04 -0.91029E-05 3680 0.259E-02 0.664E-02 RMM: 6 -0.332486798177E+03 0.23590E-04 -0.22767E-05 2549 0.145E-02 0.470E-02 RMM: 7 -0.332486792486E+03 0.56910E-05 -0.28936E-05 2614 0.156E-02 3136 T= 6162. E= 0.67490179E+03 F= 0.62378220E+03 E0= 0.65234224E+03 EK= 0.50183E+02 SP= 0.94E+00 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331610662635E+03 0.87614E+00 -0.11178E-01 7944 0.233E+01 0.171E-01 RMM: 2 -0.331624058253E+03 -0.13396E-01 -0.10265E-01 4818 0.762E-01 0.788E-01 RMM: 3 -0.331619587495E+03 0.44708E-02 -0.11791E-02 5821 0.215E-01 0.166E-01 RMM: 4 -0.331619271874E+03 0.31562E-03 -0.63681E-04 4778 0.563E-02 0.775E-02 RMM: 5 -0.331619251058E+03 0.20816E-04 -0.89357E-05 3625 0.269E-02 0.682E-02 RMM: 6 -0.331619225805E+03 0.25253E-04 -0.24142E-05 2561 0.152E-02 0.379E-02 RMM: 7 -0.331619230966E+03 -0.51610E-05 -0.16231E-05 2509 0.124E-02 3137 T= 6060. E= 0.67490808E+03 F= 0.62464976E+03 E0= 0.65323392E+03 EK= 0.49349E+02 SP= 0.91E+00 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330840604772E+03 0.77862E+00 -0.10826E-01 7960 0.230E+01 0.213E-01 RMM: 2 -0.330855685034E+03 -0.15080E-01 -0.10316E-01 5064 0.748E-01 0.970E-01 RMM: 3 -0.330849063919E+03 0.66211E-02 -0.10971E-02 5731 0.215E-01 0.191E-01 RMM: 4 -0.330848743341E+03 0.32058E-03 -0.80695E-04 4768 0.624E-02 0.110E-01 RMM: 5 -0.330848686218E+03 0.57123E-04 -0.12649E-04 3829 0.294E-02 0.855E-02 RMM: 6 -0.330848639032E+03 0.47186E-04 -0.34011E-05 2906 0.181E-02 0.351E-02 RMM: 7 -0.330848638090E+03 0.94164E-06 -0.17226E-05 2506 0.125E-02 3138 T= 5971. E= 0.67491378E+03 F= 0.62542035E+03 E0= 0.65403225E+03 EK= 0.48628E+02 SP= 0.86E+00 SK= 0.65E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330240365020E+03 0.60827E+00 -0.11144E-01 8128 0.227E+01 0.184E-01 RMM: 2 -0.330254795589E+03 -0.14431E-01 -0.10427E-01 5052 0.749E-01 0.884E-01 RMM: 3 -0.330249296773E+03 0.54988E-02 -0.10963E-02 5844 0.204E-01 0.183E-01 RMM: 4 -0.330248942549E+03 0.35422E-03 -0.66270E-04 4717 0.580E-02 0.865E-02 RMM: 5 -0.330248906541E+03 0.36008E-04 -0.98508E-05 3685 0.258E-02 0.726E-02 RMM: 6 -0.330248878511E+03 0.28030E-04 -0.25132E-05 2582 0.156E-02 0.413E-02 RMM: 7 -0.330248882743E+03 -0.42327E-05 -0.20175E-05 2537 0.133E-02 3139 T= 5906. E= 0.67491837E+03 F= 0.62602011E+03 E0= 0.65466226E+03 EK= 0.48094E+02 SP= 0.79E+00 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329871995562E+03 0.37688E+00 -0.11446E-01 8392 0.226E+01 0.214E-01 RMM: 2 -0.329886711127E+03 -0.14716E-01 -0.99130E-02 5149 0.731E-01 0.972E-01 RMM: 3 -0.329880114828E+03 0.65963E-02 -0.10290E-02 5703 0.209E-01 0.201E-01 RMM: 4 -0.329879764948E+03 0.34988E-03 -0.78540E-04 4787 0.605E-02 0.911E-02 RMM: 5 -0.329879743575E+03 0.21373E-04 -0.12099E-04 3816 0.275E-02 0.914E-02 RMM: 6 -0.329879691547E+03 0.52029E-04 -0.34032E-05 2942 0.182E-02 0.340E-02 RMM: 7 -0.329879692580E+03 -0.10339E-05 -0.15985E-05 2498 0.122E-02 3140 T= 5871. E= 0.67492161E+03 F= 0.62638930E+03 E0= 0.65506252E+03 EK= 0.47809E+02 SP= 0.70E+00 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329773015445E+03 0.10668E+00 -0.11843E-01 8352 0.225E+01 0.191E-01 RMM: 2 -0.329787963826E+03 -0.14948E-01 -0.10829E-01 5149 0.761E-01 0.901E-01 RMM: 3 -0.329782291480E+03 0.56723E-02 -0.11064E-02 5858 0.201E-01 0.181E-01 RMM: 4 -0.329781945979E+03 0.34550E-03 -0.68335E-04 4728 0.596E-02 0.930E-02 RMM: 5 -0.329781898256E+03 0.47722E-04 -0.10262E-04 3731 0.246E-02 0.754E-02 RMM: 6 -0.329781867777E+03 0.30479E-04 -0.25281E-05 2608 0.159E-02 0.388E-02 RMM: 7 -0.329781869933E+03 -0.21563E-05 -0.17333E-05 2512 0.122E-02 3141 T= 5872. E= 0.67492291E+03 F= 0.62648712E+03 E0= 0.65519064E+03 EK= 0.47815E+02 SP= 0.59E+00 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329961915294E+03 -0.18005E+00 -0.11881E-01 8368 0.225E+01 0.196E-01 RMM: 2 -0.329976089927E+03 -0.14175E-01 -0.10630E-01 5043 0.760E-01 0.861E-01 RMM: 3 -0.329970929997E+03 0.51599E-02 -0.11495E-02 5807 0.210E-01 0.176E-01 RMM: 4 -0.329970601306E+03 0.32869E-03 -0.69886E-04 4866 0.576E-02 0.872E-02 RMM: 5 -0.329970576827E+03 0.24479E-04 -0.10501E-04 3716 0.257E-02 0.837E-02 RMM: 6 -0.329970535151E+03 0.41676E-04 -0.29343E-05 2774 0.170E-02 0.354E-02 RMM: 7 -0.329970536983E+03 -0.18312E-05 -0.19110E-05 2501 0.133E-02 3142 T= 5910. E= 0.67492188E+03 F= 0.62629845E+03 E0= 0.65503035E+03 EK= 0.48128E+02 SP= 0.45E+00 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330419011768E+03 -0.44848E+00 -0.12187E-01 8256 0.226E+01 0.166E-01 RMM: 2 -0.330431980859E+03 -0.12969E-01 -0.11049E-01 4991 0.773E-01 0.677E-01 RMM: 3 -0.330428654143E+03 0.33267E-02 -0.11762E-02 6080 0.200E-01 0.133E-01 RMM: 4 -0.330428396185E+03 0.25796E-03 -0.55472E-04 4613 0.564E-02 0.112E-01 RMM: 5 -0.330428317142E+03 0.79044E-04 -0.91666E-05 3593 0.261E-02 0.672E-02 RMM: 6 -0.330428293866E+03 0.23275E-04 -0.24624E-05 2564 0.152E-02 0.355E-02 RMM: 7 -0.330428293886E+03 -0.19589E-07 -0.18661E-05 2501 0.132E-02 3143 T= 5984. E= 0.67491843E+03 F= 0.62584070E+03 E0= 0.65459823E+03 EK= 0.48729E+02 SP= 0.29E+00 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331095373350E+03 -0.66708E+00 -0.12197E-01 8296 0.228E+01 0.166E-01 RMM: 2 -0.331108816488E+03 -0.13443E-01 -0.11160E-01 4995 0.772E-01 0.719E-01 RMM: 3 -0.331105036229E+03 0.37803E-02 -0.11607E-02 6052 0.200E-01 0.146E-01 RMM: 4 -0.331104739317E+03 0.29691E-03 -0.54530E-04 4636 0.545E-02 0.914E-02 RMM: 5 -0.331104690165E+03 0.49153E-04 -0.83278E-05 3584 0.251E-02 0.661E-02 RMM: 6 -0.331104668883E+03 0.21281E-04 -0.24070E-05 2561 0.152E-02 0.404E-02 RMM: 7 -0.331104669746E+03 -0.86207E-06 -0.18214E-05 2499 0.130E-02 3144 T= 6087. E= 0.67491264E+03 F= 0.62516432E+03 E0= 0.65394439E+03 EK= 0.49567E+02 SP= 0.11E+00 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331912606230E+03 -0.80794E+00 -0.12139E-01 8264 0.231E+01 0.144E-01 RMM: 2 -0.331923826399E+03 -0.11220E-01 -0.10357E-01 5016 0.741E-01 0.529E-01 RMM: 3 -0.331921667307E+03 0.21591E-02 -0.10688E-02 6187 0.188E-01 0.119E-01 RMM: 4 -0.331921453126E+03 0.21418E-03 -0.44284E-04 4445 0.508E-02 0.112E-01 RMM: 5 -0.331921366107E+03 0.87019E-04 -0.78584E-05 3470 0.263E-02 0.543E-02 RMM: 6 -0.331921354637E+03 0.11471E-04 -0.20929E-05 2534 0.135E-02 3145 T= 6209. E= 0.67490637E+03 F= 0.62434763E+03 E0= 0.65314647E+03 EK= 0.50563E+02 SP= -.86E-01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332776251824E+03 -0.85489E+00 -0.12343E-01 8112 0.234E+01 0.185E-01 RMM: 2 -0.332791921524E+03 -0.15670E-01 -0.10892E-01 5047 0.759E-01 0.945E-01 RMM: 3 -0.332785708536E+03 0.62130E-02 -0.11746E-02 5763 0.210E-01 0.185E-01 RMM: 4 -0.332785353136E+03 0.35540E-03 -0.69846E-04 4747 0.579E-02 0.814E-02 RMM: 5 -0.332785311780E+03 0.41355E-04 -0.95019E-05 3806 0.256E-02 0.665E-02 RMM: 6 -0.332785293164E+03 0.18616E-04 -0.22623E-05 2552 0.144E-02 3146 T= 6339. E= 0.67490014E+03 F= 0.62348370E+03 E0= 0.65229744E+03 EK= 0.51621E+02 SP= -.29E+00 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333594429949E+03 -0.80912E+00 -0.13102E-01 8040 0.237E+01 0.253E-01 RMM: 2 -0.333617927104E+03 -0.23497E-01 -0.11102E-01 5022 0.791E-01 0.143E+00 RMM: 3 -0.333603769743E+03 0.14157E-01 -0.13094E-02 5450 0.250E-01 0.245E-01 RMM: 4 -0.333603304035E+03 0.46571E-03 -0.12049E-03 4767 0.727E-02 0.926E-02 RMM: 5 -0.333603262628E+03 0.41407E-04 -0.14680E-04 4059 0.296E-02 0.787E-02 RMM: 6 -0.333603231089E+03 0.31539E-04 -0.27460E-05 2599 0.157E-02 0.568E-02 RMM: 7 -0.333603238741E+03 -0.76517E-05 -0.33662E-05 2769 0.177E-02 3147 T= 6464. E= 0.67489434E+03 F= 0.62266575E+03 E0= 0.65149028E+03 EK= 0.52643E+02 SP= -.51E+00 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334287488569E+03 -0.68426E+00 -0.13235E-01 8064 0.240E+01 0.239E-01 RMM: 2 -0.334305888297E+03 -0.18400E-01 -0.10302E-01 5072 0.746E-01 0.119E+00 RMM: 3 -0.334295903764E+03 0.99845E-02 -0.11534E-02 5451 0.232E-01 0.236E-01 RMM: 4 -0.334295537807E+03 0.36596E-03 -0.11535E-03 4736 0.745E-02 0.124E-01 RMM: 5 -0.334295492338E+03 0.45469E-04 -0.18573E-04 3889 0.356E-02 0.103E-01 RMM: 6 -0.334295425889E+03 0.66449E-04 -0.47612E-05 3173 0.209E-02 0.337E-02 RMM: 7 -0.334295431041E+03 -0.51517E-05 -0.17698E-05 2523 0.129E-02 3148 T= 6575. E= 0.67489031E+03 F= 0.62197356E+03 E0= 0.65080375E+03 EK= 0.53547E+02 SP= -.72E+00 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334795632339E+03 -0.50021E+00 -0.13587E-01 7944 0.243E+01 0.182E-01 RMM: 2 -0.334810739260E+03 -0.15107E-01 -0.10909E-01 4961 0.767E-01 0.904E-01 RMM: 3 -0.334804990069E+03 0.57492E-02 -0.11786E-02 5862 0.211E-01 0.159E-01 RMM: 4 -0.334804723857E+03 0.26621E-03 -0.64667E-04 4687 0.582E-02 0.114E-01 RMM: 5 -0.334804633881E+03 0.89976E-04 -0.10126E-04 3665 0.285E-02 0.615E-02 RMM: 6 -0.334804617575E+03 0.16306E-04 -0.26943E-05 2589 0.155E-02 3149 T= 6664. E= 0.67488844E+03 F= 0.62146437E+03 E0= 0.65029302E+03 EK= 0.54270E+02 SP= -.93E+00 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335090476464E+03 -0.28584E+00 -0.12892E-01 7632 0.245E+01 0.187E-01 RMM: 2 -0.335106524996E+03 -0.16049E-01 -0.99131E-02 4968 0.734E-01 0.104E+00 RMM: 3 -0.335098775253E+03 0.77497E-02 -0.10726E-02 5589 0.217E-01 0.178E-01 RMM: 4 -0.335098509795E+03 0.26546E-03 -0.72420E-04 4783 0.571E-02 0.817E-02 RMM: 5 -0.335098467787E+03 0.42007E-04 -0.88289E-05 3774 0.258E-02 0.678E-02 RMM: 6 -0.335098450924E+03 0.16864E-04 -0.24495E-05 2560 0.148E-02 3150 T= 6726. E= 0.67488799E+03 F= 0.62117054E+03 E0= 0.64999154E+03 EK= 0.54775E+02 SP= -.11E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335159459105E+03 -0.60991E-01 -0.12405E-01 7664 0.246E+01 0.370E-01 RMM: 2 -0.335200190246E+03 -0.40731E-01 -0.10221E-01 4982 0.796E-01 0.221E+00 RMM: 3 -0.335166824495E+03 0.33366E-01 -0.17028E-02 5353 0.322E-01 0.336E-01 RMM: 4 -0.335166019316E+03 0.80518E-03 -0.20001E-03 4972 0.913E-02 0.103E-01 RMM: 5 -0.335165995391E+03 0.23925E-04 -0.22142E-04 3909 0.356E-02 0.108E-01 RMM: 6 -0.335165919580E+03 0.75811E-04 -0.46664E-05 3125 0.204E-02 0.490E-02 RMM: 7 -0.335165922194E+03 -0.26147E-05 -0.24090E-05 2550 0.149E-02 3151 T= 6760. E= 0.67488866E+03 F= 0.62110307E+03 E0= 0.64990889E+03 EK= 0.55047E+02 SP= -.13E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335003059269E+03 0.16286E+00 -0.12519E-01 7472 0.247E+01 0.268E-01 RMM: 2 -0.335027938922E+03 -0.24880E-01 -0.92909E-02 4936 0.727E-01 0.158E+00 RMM: 3 -0.335010473910E+03 0.17465E-01 -0.12880E-02 5358 0.269E-01 0.284E-01 RMM: 4 -0.335009965378E+03 0.50853E-03 -0.14575E-03 4835 0.805E-02 0.109E-01 RMM: 5 -0.335009969766E+03 -0.43879E-05 -0.19090E-04 3892 0.349E-02 3152 T= 6765. E= 0.67489028E+03 F= 0.62125902E+03 E0= 0.65004287E+03 EK= 0.55087E+02 SP= -.15E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334633018472E+03 0.37695E+00 -0.12258E-01 7712 0.247E+01 0.211E-01 RMM: 2 -0.334651781872E+03 -0.18763E-01 -0.92302E-02 5044 0.717E-01 0.127E+00 RMM: 3 -0.334640590328E+03 0.11192E-01 -0.10473E-02 5422 0.225E-01 0.199E-01 RMM: 4 -0.334640318443E+03 0.27189E-03 -0.88118E-04 5001 0.580E-02 0.846E-02 RMM: 5 -0.334640261843E+03 0.56600E-04 -0.91613E-05 3752 0.270E-02 0.721E-02 RMM: 6 -0.334640244138E+03 0.17704E-04 -0.32008E-05 2717 0.166E-02 3153 T= 6742. E= 0.67489250E+03 F= 0.62162875E+03 E0= 0.65038512E+03 EK= 0.54903E+02 SP= -.17E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334067287178E+03 0.57297E+00 -0.12098E-01 7464 0.247E+01 0.293E-01 RMM: 2 -0.334096136054E+03 -0.28849E-01 -0.95695E-02 4771 0.756E-01 0.176E+00 RMM: 3 -0.334074590400E+03 0.21546E-01 -0.14761E-02 5360 0.291E-01 0.211E-01 RMM: 4 -0.334074321732E+03 0.26867E-03 -0.15086E-03 4917 0.738E-02 0.102E-01 RMM: 5 -0.334074278679E+03 0.43052E-04 -0.14945E-04 3873 0.319E-02 0.873E-02 RMM: 6 -0.334074230417E+03 0.48263E-04 -0.33150E-05 2866 0.173E-02 0.380E-02 RMM: 7 -0.334074229836E+03 0.58007E-06 -0.15762E-05 2495 0.132E-02 3154 T= 6694. E= 0.67489483E+03 F= 0.62219476E+03 E0= 0.65091942E+03 EK= 0.54513E+02 SP= -.19E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333329513788E+03 0.74472E+00 -0.11639E-01 7520 0.247E+01 0.342E-01 RMM: 2 -0.333363704752E+03 -0.34191E-01 -0.10549E-01 4866 0.813E-01 0.197E+00 RMM: 3 -0.333337445007E+03 0.26260E-01 -0.17108E-02 5366 0.315E-01 0.292E-01 RMM: 4 -0.333336854133E+03 0.59087E-03 -0.18122E-03 4998 0.864E-02 0.108E-01 RMM: 5 -0.333336863053E+03 -0.89201E-05 -0.21908E-04 3904 0.354E-02 0.127E-01 RMM: 6 -0.333336749827E+03 0.11323E-03 -0.60408E-05 3338 0.226E-02 0.361E-02 RMM: 7 -0.333336746875E+03 0.29515E-05 -0.18305E-05 2522 0.128E-02 3155 T= 6624. E= 0.67489791E+03 F= 0.62293224E+03 E0= 0.65162326E+03 EK= 0.53942E+02 SP= -.20E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332453608240E+03 0.88314E+00 -0.11705E-01 7664 0.245E+01 0.220E-01 RMM: 2 -0.332471752559E+03 -0.18144E-01 -0.91497E-02 4854 0.737E-01 0.123E+00 RMM: 3 -0.332461204439E+03 0.10548E-01 -0.11355E-02 5463 0.233E-01 0.208E-01 RMM: 4 -0.332460889205E+03 0.31523E-03 -0.92452E-04 4764 0.627E-02 0.793E-02 RMM: 5 -0.332460871890E+03 0.17315E-04 -0.12255E-04 3833 0.293E-02 3156 T= 6536. E= 0.67490231E+03 F= 0.62380812E+03 E0= 0.65246508E+03 EK= 0.53228E+02 SP= -.22E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331481114677E+03 0.97977E+00 -0.12086E-01 7816 0.244E+01 0.145E-01 RMM: 2 -0.331494500494E+03 -0.13386E-01 -0.10833E-01 4810 0.786E-01 0.707E-01 RMM: 3 -0.331490846095E+03 0.36544E-02 -0.12672E-02 5953 0.208E-01 0.149E-01 RMM: 4 -0.331490559231E+03 0.28686E-03 -0.54724E-04 4678 0.544E-02 0.839E-02 RMM: 5 -0.331490517301E+03 0.41930E-04 -0.72101E-05 3415 0.253E-02 0.701E-02 RMM: 6 -0.331490506332E+03 0.10969E-04 -0.30472E-05 2612 0.168E-02 3157 T= 6437. E= 0.67490739E+03 F= 0.62477848E+03 E0= 0.65340393E+03 EK= 0.52417E+02 SP= -.23E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330469958580E+03 0.10206E+01 -0.11840E-01 7424 0.242E+01 0.372E-01 RMM: 2 -0.330513396269E+03 -0.43438E-01 -0.13371E-01 4784 0.892E-01 0.222E+00 RMM: 3 -0.330480174756E+03 0.33222E-01 -0.21074E-02 5362 0.345E-01 0.315E-01 RMM: 4 -0.330479500296E+03 0.67446E-03 -0.22816E-03 5242 0.897E-02 0.100E-01 RMM: 5 -0.330479530285E+03 -0.29990E-04 -0.26669E-04 3925 0.385E-02 0.132E-01 RMM: 6 -0.330479418555E+03 0.11173E-03 -0.68240E-05 3406 0.237E-02 0.436E-02 RMM: 7 -0.330479409979E+03 0.85762E-05 -0.17406E-05 2523 0.127E-02 3158 T= 6332. E= 0.67491257E+03 F= 0.62578958E+03 E0= 0.65438628E+03 EK= 0.51564E+02 SP= -.25E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329480138507E+03 0.99928E+00 -0.10742E-01 7680 0.240E+01 0.372E-01 RMM: 2 -0.329521836409E+03 -0.41698E-01 -0.10525E-01 4926 0.793E-01 0.225E+00 RMM: 3 -0.329487930906E+03 0.33906E-01 -0.18564E-02 5360 0.333E-01 0.339E-01 RMM: 4 -0.329487102076E+03 0.82883E-03 -0.20227E-03 5025 0.914E-02 0.114E-01 RMM: 5 -0.329487092191E+03 0.98849E-05 -0.24154E-04 3903 0.361E-02 0.123E-01 RMM: 6 -0.329486983578E+03 0.10861E-03 -0.60385E-05 3347 0.227E-02 0.420E-02 RMM: 7 -0.329486978956E+03 0.46221E-05 -0.18813E-05 2528 0.128E-02 3159 T= 6230. E= 0.67491781E+03 F= 0.62678201E+03 E0= 0.65535367E+03 EK= 0.50734E+02 SP= -.27E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328565167082E+03 0.92182E+00 -0.10694E-01 7688 0.237E+01 0.286E-01 RMM: 2 -0.328591092784E+03 -0.25926E-01 -0.93420E-02 4975 0.742E-01 0.166E+00 RMM: 3 -0.328572432720E+03 0.18660E-01 -0.12756E-02 5378 0.265E-01 0.277E-01 RMM: 4 -0.328571887047E+03 0.54567E-03 -0.13282E-03 4777 0.743E-02 0.844E-02 RMM: 5 -0.328571886654E+03 0.39307E-06 -0.17384E-04 3883 0.337E-02 3160 T= 6139. E= 0.67492300E+03 F= 0.62769710E+03 E0= 0.65624764E+03 EK= 0.49989E+02 SP= -.28E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327774456736E+03 0.79743E+00 -0.10977E-01 7832 0.235E+01 0.136E-01 RMM: 2 -0.327786388057E+03 -0.11931E-01 -0.95499E-02 4967 0.716E-01 0.682E-01 RMM: 3 -0.327782851096E+03 0.35370E-02 -0.10217E-02 5833 0.191E-01 0.141E-01 RMM: 4 -0.327782629945E+03 0.22115E-03 -0.48718E-04 4448 0.499E-02 0.932E-02 RMM: 5 -0.327782572941E+03 0.57004E-04 -0.63456E-05 3372 0.232E-02 0.664E-02 RMM: 6 -0.327782563181E+03 0.97602E-05 -0.22164E-05 2522 0.140E-02 3161 T= 6064. E= 0.67492726E+03 F= 0.62848643E+03 E0= 0.65701768E+03 EK= 0.49380E+02 SP= -.30E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327144643787E+03 0.63793E+00 -0.11160E-01 7792 0.232E+01 0.271E-01 RMM: 2 -0.327166943363E+03 -0.22300E-01 -0.10101E-01 4809 0.763E-01 0.143E+00 RMM: 3 -0.327152692930E+03 0.14250E-01 -0.13197E-02 5418 0.261E-01 0.242E-01 RMM: 4 -0.327152279117E+03 0.41381E-03 -0.12862E-03 4787 0.720E-02 0.940E-02 RMM: 5 -0.327152265208E+03 0.13908E-04 -0.16690E-04 3912 0.327E-02 3162 T= 6010. E= 0.67492901E+03 F= 0.62911672E+03 E0= 0.65763099E+03 EK= 0.48940E+02 SP= -.32E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326686076615E+03 0.46620E+00 -0.10594E-01 7856 0.231E+01 0.253E-01 RMM: 2 -0.326706053249E+03 -0.19977E-01 -0.91609E-02 5142 0.705E-01 0.135E+00 RMM: 3 -0.326693452045E+03 0.12601E-01 -0.10995E-02 5413 0.238E-01 0.262E-01 RMM: 4 -0.326692988088E+03 0.46396E-03 -0.11646E-03 4702 0.710E-02 0.107E-01 RMM: 5 -0.326692931781E+03 0.56307E-04 -0.14749E-04 3904 0.307E-02 0.848E-02 RMM: 6 -0.326692891036E+03 0.40746E-04 -0.33148E-05 2871 0.175E-02 0.495E-02 RMM: 7 -0.326692899862E+03 -0.88268E-05 -0.26308E-05 2576 0.152E-02 3163 T= 5979. E= 0.67492937E+03 F= 0.62957609E+03 E0= 0.65807448E+03 EK= 0.48686E+02 SP= -.34E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326389161551E+03 0.30373E+00 -0.10872E-01 7808 0.229E+01 0.198E-01 RMM: 2 -0.326404793349E+03 -0.15632E-01 -0.11037E-01 4786 0.774E-01 0.930E-01 RMM: 3 -0.326398526924E+03 0.62664E-02 -0.13007E-02 5745 0.222E-01 0.161E-01 RMM: 4 -0.326398286423E+03 0.24050E-03 -0.83370E-04 4750 0.640E-02 0.128E-01 RMM: 5 -0.326398213570E+03 0.72853E-04 -0.13593E-04 3803 0.307E-02 0.830E-02 RMM: 6 -0.326398168411E+03 0.45159E-04 -0.35236E-05 2964 0.180E-02 0.210E-02 RMM: 7 -0.326398172153E+03 -0.37413E-05 -0.11834E-05 2485 0.111E-02 3164 T= 5970. E= 0.67492870E+03 F= 0.62987082E+03 E0= 0.65835554E+03 EK= 0.48614E+02 SP= -.37E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326240999532E+03 0.15717E+00 -0.10396E-01 8000 0.228E+01 0.168E-01 RMM: 2 -0.326253086272E+03 -0.12087E-01 -0.91146E-02 5116 0.685E-01 0.779E-01 RMM: 3 -0.326248559628E+03 0.45266E-02 -0.93868E-03 5918 0.186E-01 0.141E-01 RMM: 4 -0.326248335259E+03 0.22437E-03 -0.51972E-04 4597 0.511E-02 0.104E-01 RMM: 5 -0.326248253206E+03 0.82054E-04 -0.75174E-05 3543 0.244E-02 0.552E-02 RMM: 6 -0.326248239839E+03 0.13366E-04 -0.20258E-05 2529 0.132E-02 3165 T= 5981. E= 0.67492686E+03 F= 0.63002075E+03 E0= 0.65849250E+03 EK= 0.48703E+02 SP= -.39E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326208183500E+03 0.40070E-01 -0.10377E-01 7832 0.228E+01 0.189E-01 RMM: 2 -0.326223163760E+03 -0.14980E-01 -0.89278E-02 5143 0.672E-01 0.102E+00 RMM: 3 -0.326215498610E+03 0.76651E-02 -0.93412E-03 5576 0.201E-01 0.188E-01 RMM: 4 -0.326215205971E+03 0.29264E-03 -0.71181E-04 4773 0.551E-02 0.744E-02 RMM: 5 -0.326215177169E+03 0.28802E-04 -0.81736E-05 3665 0.234E-02 0.676E-02 RMM: 6 -0.326215155619E+03 0.21550E-04 -0.20919E-05 2545 0.136E-02 0.486E-02 RMM: 7 -0.326215172521E+03 -0.16902E-04 -0.35071E-05 2863 0.175E-02 3166 T= 6008. E= 0.67492483E+03 F= 0.63005382E+03 E0= 0.65851505E+03 EK= 0.48929E+02 SP= -.42E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326269115109E+03 -0.53959E-01 -0.10466E-01 7864 0.228E+01 0.261E-01 RMM: 2 -0.326287275774E+03 -0.18161E-01 -0.91798E-02 5088 0.709E-01 0.127E+00 RMM: 3 -0.326276142785E+03 0.11133E-01 -0.10852E-02 5551 0.226E-01 0.230E-01 RMM: 4 -0.326275814843E+03 0.32794E-03 -0.11867E-03 4663 0.757E-02 0.137E-01 RMM: 5 -0.326275755060E+03 0.59783E-04 -0.17559E-04 3877 0.321E-02 0.112E-01 RMM: 6 -0.326275670160E+03 0.84900E-04 -0.45063E-05 3130 0.207E-02 0.272E-02 RMM: 7 -0.326275672605E+03 -0.24444E-05 -0.17668E-05 2504 0.129E-02 3167 T= 6050. E= 0.67492346E+03 F= 0.62999332E+03 E0= 0.65844582E+03 EK= 0.49268E+02 SP= -.45E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326408343396E+03 -0.13267E+00 -0.11114E-01 7808 0.229E+01 0.174E-01 RMM: 2 -0.326422147081E+03 -0.13804E-01 -0.98252E-02 5193 0.699E-01 0.867E-01 RMM: 3 -0.326416436083E+03 0.57110E-02 -0.96647E-03 5838 0.192E-01 0.156E-01 RMM: 4 -0.326416187850E+03 0.24823E-03 -0.59672E-04 4680 0.527E-02 0.881E-02 RMM: 5 -0.326416134167E+03 0.53683E-04 -0.79317E-05 3585 0.230E-02 0.647E-02 RMM: 6 -0.326416114463E+03 0.19704E-04 -0.22508E-05 2554 0.145E-02 3168 T= 6104. E= 0.67492295E+03 F= 0.62985287E+03 E0= 0.65829894E+03 EK= 0.49705E+02 SP= -.48E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326626842140E+03 -0.21071E+00 -0.11013E-01 7960 0.229E+01 0.233E-01 RMM: 2 -0.326645707948E+03 -0.18866E-01 -0.96885E-02 5180 0.710E-01 0.126E+00 RMM: 3 -0.326634577700E+03 0.11130E-01 -0.11005E-02 5499 0.226E-01 0.206E-01 RMM: 4 -0.326634249868E+03 0.32783E-03 -0.98301E-04 4977 0.606E-02 0.793E-02 RMM: 5 -0.326634208591E+03 0.41277E-04 -0.92144E-05 3791 0.250E-02 0.716E-02 RMM: 6 -0.326634187292E+03 0.21299E-04 -0.22477E-05 2552 0.142E-02 0.579E-02 RMM: 7 -0.326634204517E+03 -0.17225E-04 -0.40883E-05 3020 0.181E-02 3169 T= 6169. E= 0.67492319E+03 F= 0.62963478E+03 E0= 0.65807672E+03 EK= 0.50239E+02 SP= -.52E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326930526929E+03 -0.29634E+00 -0.10877E-01 7632 0.231E+01 0.273E-01 RMM: 2 -0.326951156940E+03 -0.20630E-01 -0.10469E-01 5008 0.761E-01 0.133E+00 RMM: 3 -0.326938846893E+03 0.12310E-01 -0.12961E-02 5489 0.247E-01 0.275E-01 RMM: 4 -0.326938323021E+03 0.52387E-03 -0.14262E-03 4742 0.827E-02 0.129E-01 RMM: 5 -0.326938335815E+03 -0.12794E-04 -0.24690E-04 3900 0.392E-02 0.138E-01 RMM: 6 -0.326938207075E+03 0.12874E-03 -0.73542E-05 3492 0.251E-02 0.330E-02 RMM: 7 -0.326938206909E+03 0.16657E-06 -0.18792E-05 2526 0.131E-02 3170 T= 6247. E= 0.67492354E+03 F= 0.62933078E+03 E0= 0.65777254E+03 EK= 0.50874E+02 SP= -.55E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327327997497E+03 -0.38979E+00 -0.11269E-01 7720 0.232E+01 0.211E-01 RMM: 2 -0.327346354773E+03 -0.18357E-01 -0.11668E-01 4951 0.789E-01 0.110E+00 RMM: 3 -0.327337916442E+03 0.84383E-02 -0.13536E-02 5668 0.232E-01 0.175E-01 RMM: 4 -0.327337597983E+03 0.31846E-03 -0.90298E-04 4949 0.618E-02 0.964E-02 RMM: 5 -0.327337532212E+03 0.65771E-04 -0.11408E-04 3855 0.275E-02 0.674E-02 RMM: 6 -0.327337506513E+03 0.25698E-04 -0.26407E-05 2604 0.153E-02 0.463E-02 RMM: 7 -0.327337505006E+03 0.15072E-05 -0.20956E-05 2535 0.136E-02 3171 T= 6339. E= 0.67492377E+03 F= 0.62893148E+03 E0= 0.65737532E+03 EK= 0.51618E+02 SP= -.59E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327826955381E+03 -0.48945E+00 -0.11447E-01 7992 0.234E+01 0.177E-01 RMM: 2 -0.327840116402E+03 -0.13161E-01 -0.10312E-01 4866 0.757E-01 0.772E-01 RMM: 3 -0.327835993805E+03 0.41226E-02 -0.12364E-02 5926 0.209E-01 0.169E-01 RMM: 4 -0.327835620325E+03 0.37348E-03 -0.63548E-04 4792 0.567E-02 0.832E-02 RMM: 5 -0.327835590333E+03 0.29991E-04 -0.94590E-05 3648 0.265E-02 0.654E-02 RMM: 6 -0.327835566591E+03 0.23743E-04 -0.24624E-05 2581 0.152E-02 0.354E-02 RMM: 7 -0.327835568817E+03 -0.22262E-05 -0.18524E-05 2502 0.137E-02 3172 T= 6444. E= 0.67492322E+03 F= 0.62843342E+03 E0= 0.65688388E+03 EK= 0.52472E+02 SP= -.62E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328411574288E+03 -0.57601E+00 -0.11663E-01 7712 0.236E+01 0.164E-01 RMM: 2 -0.328425797624E+03 -0.14223E-01 -0.12119E-01 4814 0.819E-01 0.705E-01 RMM: 3 -0.328422334111E+03 0.34635E-02 -0.14430E-02 6084 0.210E-01 0.145E-01 RMM: 4 -0.328421978737E+03 0.35537E-03 -0.67696E-04 4662 0.641E-02 0.115E-01 RMM: 5 -0.328421889533E+03 0.89203E-04 -0.11118E-04 3714 0.295E-02 0.588E-02 RMM: 6 -0.328421870290E+03 0.19243E-04 -0.24459E-05 2573 0.146E-02 3173 T= 6560. E= 0.67492090E+03 F= 0.62784712E+03 E0= 0.65630706E+03 EK= 0.53421E+02 SP= -.66E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329054461884E+03 -0.63257E+00 -0.12633E-01 7736 0.239E+01 0.189E-01 RMM: 2 -0.329073336497E+03 -0.18875E-01 -0.12676E-01 4777 0.849E-01 0.105E+00 RMM: 3 -0.329065637349E+03 0.76991E-02 -0.15084E-02 5735 0.237E-01 0.181E-01 RMM: 4 -0.329065235767E+03 0.40158E-03 -0.87083E-04 4970 0.636E-02 0.765E-02 RMM: 5 -0.329065202568E+03 0.33199E-04 -0.11457E-04 3967 0.275E-02 0.648E-02 RMM: 6 -0.329065183320E+03 0.19248E-04 -0.24225E-05 2563 0.144E-02 3174 T= 6684. E= 0.67491781E+03 F= 0.62720381E+03 E0= 0.65567624E+03 EK= 0.54430E+02 SP= -.70E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329708572719E+03 -0.64337E+00 -0.12185E-01 7776 0.242E+01 0.299E-01 RMM: 2 -0.329737445406E+03 -0.28873E-01 -0.10819E-01 4850 0.807E-01 0.172E+00 RMM: 3 -0.329717248674E+03 0.20197E-01 -0.15109E-02 5395 0.284E-01 0.289E-01 RMM: 4 -0.329716626076E+03 0.62260E-03 -0.16072E-03 4801 0.814E-02 0.888E-02 RMM: 5 -0.329716604523E+03 0.21553E-04 -0.19063E-04 3932 0.332E-02 0.883E-02 RMM: 6 -0.329716557567E+03 0.46956E-04 -0.35070E-05 2832 0.178E-02 0.474E-02 RMM: 7 -0.329716561096E+03 -0.35287E-05 -0.22542E-05 2533 0.149E-02 3175 T= 6809. E= 0.67491373E+03 F= 0.62655243E+03 E0= 0.65503915E+03 EK= 0.55446E+02 SP= -.73E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330303422050E+03 -0.58686E+00 -0.12699E-01 7800 0.246E+01 0.249E-01 RMM: 2 -0.330323172253E+03 -0.19750E-01 -0.10642E-01 4808 0.783E-01 0.124E+00 RMM: 3 -0.330312310208E+03 0.10862E-01 -0.13536E-02 5420 0.258E-01 0.269E-01 RMM: 4 -0.330311827923E+03 0.48228E-03 -0.13524E-03 4804 0.773E-02 0.102E-01 RMM: 5 -0.330311823769E+03 0.41539E-05 -0.20322E-04 3877 0.357E-02 0.113E-01 RMM: 6 -0.330311740137E+03 0.83633E-04 -0.56064E-05 3280 0.221E-02 0.313E-02 RMM: 7 -0.330311741346E+03 -0.12092E-05 -0.15943E-05 2510 0.125E-02 3176 T= 6926. E= 0.67490909E+03 F= 0.62595725E+03 E0= 0.65445868E+03 EK= 0.56399E+02 SP= -.77E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330768483674E+03 -0.45674E+00 -0.12990E-01 7776 0.249E+01 0.205E-01 RMM: 2 -0.330786699310E+03 -0.18216E-01 -0.11986E-01 4828 0.829E-01 0.106E+00 RMM: 3 -0.330778947358E+03 0.77520E-02 -0.14498E-02 5691 0.234E-01 0.192E-01 RMM: 4 -0.330778555465E+03 0.39189E-03 -0.89139E-04 4826 0.649E-02 0.978E-02 RMM: 5 -0.330778501305E+03 0.54160E-04 -0.13234E-04 3853 0.312E-02 0.709E-02 RMM: 6 -0.330778470008E+03 0.31297E-04 -0.32013E-05 2749 0.168E-02 0.406E-02 RMM: 7 -0.330778467215E+03 0.27933E-05 -0.24245E-05 2547 0.148E-02 3177 T= 7026. E= 0.67490444E+03 F= 0.62549052E+03 E0= 0.65400452E+03 EK= 0.57212E+02 SP= -.80E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331034319797E+03 -0.25585E+00 -0.13163E-01 7768 0.251E+01 0.177E-01 RMM: 2 -0.331050167313E+03 -0.15848E-01 -0.12249E-01 4718 0.848E-01 0.851E-01 RMM: 3 -0.331045205805E+03 0.49615E-02 -0.15138E-02 5935 0.228E-01 0.156E-01 RMM: 4 -0.331044844302E+03 0.36150E-03 -0.73717E-04 4802 0.631E-02 0.918E-02 RMM: 5 -0.331044789967E+03 0.54335E-04 -0.10736E-04 3746 0.291E-02 0.591E-02 RMM: 6 -0.331044773416E+03 0.16551E-04 -0.25193E-05 2552 0.147E-02 3178 T= 7099. E= 0.67490069E+03 F= 0.62522422E+03 E0= 0.65374896E+03 EK= 0.57808E+02 SP= -.83E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331039126044E+03 0.56639E-02 -0.13003E-01 7624 0.253E+01 0.169E-01 RMM: 2 -0.331054298990E+03 -0.15173E-01 -0.11658E-01 4850 0.806E-01 0.829E-01 RMM: 3 -0.331049492890E+03 0.48061E-02 -0.13929E-02 5832 0.218E-01 0.160E-01 RMM: 4 -0.331049156600E+03 0.33629E-03 -0.68326E-04 4801 0.585E-02 0.880E-02 RMM: 5 -0.331049098912E+03 0.57688E-04 -0.95125E-05 3808 0.263E-02 0.630E-02 RMM: 6 -0.331049081211E+03 0.17701E-04 -0.24259E-05 2547 0.149E-02 3179 T= 7137. E= 0.67489854E+03 F= 0.62521991E+03 E0= 0.65375238E+03 EK= 0.58121E+02 SP= -.86E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330743053065E+03 0.30605E+00 -0.12572E-01 7440 0.254E+01 0.281E-01 RMM: 2 -0.330768412550E+03 -0.25359E-01 -0.88127E-02 5065 0.736E-01 0.165E+00 RMM: 3 -0.330749862528E+03 0.18550E-01 -0.12317E-02 5403 0.261E-01 0.259E-01 RMM: 4 -0.330749374845E+03 0.48768E-03 -0.13180E-03 4680 0.751E-02 0.743E-02 RMM: 5 -0.330749346932E+03 0.27913E-04 -0.15198E-04 4110 0.290E-02 0.746E-02 RMM: 6 -0.330749316787E+03 0.30145E-04 -0.26830E-05 2614 0.159E-02 0.428E-02 RMM: 7 -0.330749322983E+03 -0.61958E-05 -0.22033E-05 2520 0.149E-02 3180 T= 7135. E= 0.67489784E+03 F= 0.62551967E+03 E0= 0.65405772E+03 EK= 0.58105E+02 SP= -.89E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330121148160E+03 0.62817E+00 -0.12509E-01 7488 0.254E+01 0.219E-01 RMM: 2 -0.330136093246E+03 -0.14945E-01 -0.84285E-02 4955 0.705E-01 0.108E+00 RMM: 3 -0.330128029498E+03 0.80637E-02 -0.10110E-02 5479 0.219E-01 0.214E-01 RMM: 4 -0.330127751890E+03 0.27761E-03 -0.10218E-03 4647 0.703E-02 0.119E-01 RMM: 5 -0.330127694963E+03 0.56926E-04 -0.15929E-04 3863 0.332E-02 0.887E-02 RMM: 6 -0.330127643113E+03 0.51851E-04 -0.34248E-05 2920 0.179E-02 0.311E-02 RMM: 7 -0.330127645774E+03 -0.26616E-05 -0.17297E-05 2495 0.132E-02 3181 T= 7091. E= 0.67489939E+03 F= 0.62614134E+03 E0= 0.65468376E+03 EK= 0.57743E+02 SP= -.91E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329187557821E+03 0.94009E+00 -0.12233E-01 7512 0.253E+01 0.183E-01 RMM: 2 -0.329200530748E+03 -0.12973E-01 -0.94993E-02 4877 0.747E-01 0.846E-01 RMM: 3 -0.329195672003E+03 0.48587E-02 -0.11458E-02 5740 0.211E-01 0.142E-01 RMM: 4 -0.329195439644E+03 0.23236E-03 -0.65495E-04 4809 0.554E-02 0.933E-02 RMM: 5 -0.329195390923E+03 0.48721E-04 -0.92516E-05 3685 0.264E-02 0.655E-02 RMM: 6 -0.329195365011E+03 0.25913E-04 -0.24472E-05 2561 0.149E-02 0.372E-02 RMM: 7 -0.329195365221E+03 -0.21091E-06 -0.18521E-05 2498 0.132E-02 3182 T= 7005. E= 0.67490320E+03 F= 0.62707362E+03 E0= 0.65561978E+03 EK= 0.57045E+02 SP= -.93E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327985847085E+03 0.12095E+01 -0.11687E-01 7536 0.251E+01 0.161E-01 RMM: 2 -0.327996837560E+03 -0.10990E-01 -0.84196E-02 4837 0.702E-01 0.740E-01 RMM: 3 -0.327993096247E+03 0.37413E-02 -0.99388E-03 5783 0.196E-01 0.143E-01 RMM: 4 -0.327992886322E+03 0.20993E-03 -0.53735E-04 4657 0.527E-02 0.873E-02 RMM: 5 -0.327992839508E+03 0.46814E-04 -0.76463E-05 3538 0.247E-02 0.577E-02 RMM: 6 -0.327992822760E+03 0.16748E-04 -0.21771E-05 2532 0.141E-02 3183 T= 6883. E= 0.67490878E+03 F= 0.62827617E+03 E0= 0.65682738E+03 EK= 0.56055E+02 SP= -.95E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326575489200E+03 0.14174E+01 -0.11850E-01 7536 0.249E+01 0.174E-01 RMM: 2 -0.326589929173E+03 -0.14440E-01 -0.10480E-01 4768 0.788E-01 0.865E-01 RMM: 3 -0.326584783243E+03 0.51459E-02 -0.12745E-02 5792 0.218E-01 0.175E-01 RMM: 4 -0.326584439150E+03 0.34409E-03 -0.66728E-04 4741 0.590E-02 0.782E-02 RMM: 5 -0.326584403338E+03 0.35811E-04 -0.92296E-05 3790 0.254E-02 0.680E-02 RMM: 6 -0.326584379835E+03 0.23503E-04 -0.23371E-05 2538 0.146E-02 0.466E-02 RMM: 7 -0.326584382447E+03 -0.26119E-05 -0.22113E-05 2532 0.143E-02 3184 T= 6734. E= 0.67491561E+03 F= 0.62968461E+03 E0= 0.65824257E+03 EK= 0.54840E+02 SP= -.97E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325049771803E+03 0.15346E+01 -0.11118E-01 7584 0.245E+01 0.218E-01 RMM: 2 -0.325063352600E+03 -0.13581E-01 -0.77087E-02 4904 0.695E-01 0.105E+00 RMM: 3 -0.325056062145E+03 0.72905E-02 -0.94439E-03 5499 0.212E-01 0.219E-01 RMM: 4 -0.325055743168E+03 0.31898E-03 -0.86066E-04 4651 0.653E-02 0.992E-02 RMM: 5 -0.325055749422E+03 -0.62534E-05 -0.14107E-04 3812 0.307E-02 3185 T= 6569. E= 0.67492437E+03 F= 0.63121324E+03 E0= 0.65977968E+03 EK= 0.53494E+02 SP= -.98E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323498709902E+03 0.15570E+01 -0.11325E-01 7584 0.242E+01 0.178E-01 RMM: 2 -0.323512869878E+03 -0.14160E-01 -0.93961E-02 4986 0.740E-01 0.942E-01 RMM: 3 -0.323506884447E+03 0.59854E-02 -0.10658E-02 5661 0.205E-01 0.176E-01 RMM: 4 -0.323506602747E+03 0.28170E-03 -0.64963E-04 4735 0.556E-02 0.829E-02 RMM: 5 -0.323506555369E+03 0.47378E-04 -0.92606E-05 3751 0.251E-02 0.735E-02 RMM: 6 -0.323506529336E+03 0.26033E-04 -0.27122E-05 2589 0.159E-02 0.497E-02 RMM: 7 -0.323506533491E+03 -0.41544E-05 -0.28514E-05 2603 0.146E-02 3186 T= 6400. E= 0.67493375E+03 F= 0.63276246E+03 E0= 0.66133803E+03 EK= 0.52121E+02 SP= -.10E+02 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322035103351E+03 0.14714E+01 -0.10290E-01 7624 0.238E+01 0.183E-01 RMM: 2 -0.322045621511E+03 -0.10518E-01 -0.72812E-02 4935 0.664E-01 0.823E-01 RMM: 3 -0.322041116363E+03 0.45051E-02 -0.83670E-03 5591 0.188E-01 0.156E-01 RMM: 4 -0.322040935697E+03 0.18067E-03 -0.59836E-04 4649 0.543E-02 0.952E-02 RMM: 5 -0.322040905048E+03 0.30649E-04 -0.94327E-05 3663 0.253E-02 0.758E-02 RMM: 6 -0.322040869150E+03 0.35898E-04 -0.25000E-05 2681 0.157E-02 0.234E-02 RMM: 7 -0.322040869715E+03 -0.56474E-06 -0.93006E-06 2472 0.977E-03 3187 T= 6242. E= 0.67494212E+03 F= 0.63422812E+03 E0= 0.66281150E+03 EK= 0.50830E+02 SP= -.10E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320754093986E+03 0.12868E+01 -0.10099E-01 7536 0.235E+01 0.202E-01 RMM: 2 -0.320767273791E+03 -0.13180E-01 -0.94781E-02 4945 0.764E-01 0.898E-01 RMM: 3 -0.320762046674E+03 0.52271E-02 -0.11285E-02 5701 0.212E-01 0.163E-01 RMM: 4 -0.320761790123E+03 0.25655E-03 -0.74239E-04 4804 0.596E-02 0.103E-01 RMM: 5 -0.320761733019E+03 0.57103E-04 -0.11310E-04 3796 0.270E-02 0.809E-02 RMM: 6 -0.320761693783E+03 0.39236E-04 -0.29986E-05 2763 0.167E-02 0.373E-02 RMM: 7 -0.320761690218E+03 0.35657E-05 -0.15194E-05 2488 0.120E-02 3188 T= 6107. E= 0.67494969E+03 F= 0.63550730E+03 E0= 0.66409668E+03 EK= 0.49730E+02 SP= -.10E+02 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319754748537E+03 0.10069E+01 -0.10001E-01 7560 0.232E+01 0.185E-01 RMM: 2 -0.319768784540E+03 -0.14036E-01 -0.90683E-02 4923 0.731E-01 0.963E-01 RMM: 3 -0.319762532965E+03 0.62516E-02 -0.10576E-02 5629 0.206E-01 0.173E-01 RMM: 4 -0.319762251915E+03 0.28105E-03 -0.68595E-04 4760 0.564E-02 0.711E-02 RMM: 5 -0.319762239938E+03 0.11977E-04 -0.97881E-05 3719 0.258E-02 3189 T= 6007. E= 0.67495644E+03 F= 0.63650675E+03 E0= 0.66509756E+03 EK= 0.48920E+02 SP= -.11E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319113538577E+03 0.64871E+00 -0.99837E-02 7520 0.230E+01 0.162E-01 RMM: 2 -0.319125905506E+03 -0.12367E-01 -0.89964E-02 5011 0.727E-01 0.819E-01 RMM: 3 -0.319121379486E+03 0.45260E-02 -0.99834E-03 5778 0.192E-01 0.184E-01 RMM: 4 -0.319121057302E+03 0.32218E-03 -0.56284E-04 4645 0.538E-02 0.761E-02 RMM: 5 -0.319121025814E+03 0.31488E-04 -0.83934E-05 3678 0.228E-02 0.757E-02 RMM: 6 -0.319121000701E+03 0.25113E-04 -0.24314E-05 2563 0.152E-02 0.541E-02 RMM: 7 -0.319121009970E+03 -0.92692E-05 -0.39261E-05 2959 0.178E-02 3190 T= 5953. E= 0.67496142E+03 F= 0.63714798E+03 E0= 0.66573508E+03 EK= 0.48481E+02 SP= -.11E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318891005801E+03 0.22999E+00 -0.10186E-01 7712 0.230E+01 0.256E-01 RMM: 2 -0.318907696102E+03 -0.16690E-01 -0.10279E-01 4863 0.790E-01 0.112E+00 RMM: 3 -0.318899248356E+03 0.84477E-02 -0.12653E-02 5505 0.239E-01 0.213E-01 RMM: 4 -0.318898949632E+03 0.29872E-03 -0.10868E-03 4727 0.696E-02 0.124E-01 RMM: 5 -0.318898934939E+03 0.14694E-04 -0.18143E-04 3905 0.320E-02 3191 T= 5953. E= 0.67496433E+03 F= 0.63737005E+03 E0= 0.66594721E+03 EK= 0.48477E+02 SP= -.11E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319122201026E+03 -0.22325E+00 -0.10199E-01 7704 0.230E+01 0.158E-01 RMM: 2 -0.319133337738E+03 -0.11137E-01 -0.85031E-02 5231 0.692E-01 0.751E-01 RMM: 3 -0.319129555761E+03 0.37820E-02 -0.82579E-03 5792 0.171E-01 0.157E-01 RMM: 4 -0.319129307688E+03 0.24807E-03 -0.48159E-04 4436 0.504E-02 0.870E-02 RMM: 5 -0.319129252767E+03 0.54920E-04 -0.79212E-05 3514 0.226E-02 0.733E-02 RMM: 6 -0.319129226006E+03 0.26762E-04 -0.25415E-05 2598 0.156E-02 0.492E-02 RMM: 7 -0.319129225799E+03 0.20676E-06 -0.34544E-05 2665 0.157E-02 3192 T= 6010. E= 0.67496508E+03 F= 0.63713976E+03 E0= 0.66570188E+03 EK= 0.48945E+02 SP= -.11E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319809151203E+03 -0.67993E+00 -0.10620E-01 7832 0.231E+01 0.211E-01 RMM: 2 -0.319822582216E+03 -0.13431E-01 -0.80884E-02 5077 0.695E-01 0.101E+00 RMM: 3 -0.319815734708E+03 0.68475E-02 -0.90932E-03 5525 0.201E-01 0.207E-01 RMM: 4 -0.319815420725E+03 0.31398E-03 -0.76800E-04 4681 0.595E-02 0.836E-02 RMM: 5 -0.319815398502E+03 0.22224E-04 -0.11161E-04 3837 0.251E-02 0.777E-02 RMM: 6 -0.319815362536E+03 0.35966E-04 -0.24462E-05 2646 0.153E-02 0.297E-02 RMM: 7 -0.319815364805E+03 -0.22697E-05 -0.12042E-05 2484 0.108E-02 3193 T= 6126. E= 0.67496260E+03 F= 0.63645362E+03 E0= 0.66499548E+03 EK= 0.49885E+02 SP= -.12E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320922905523E+03 -0.11075E+01 -0.10793E-01 7912 0.234E+01 0.198E-01 RMM: 2 -0.320934934824E+03 -0.12029E-01 -0.91654E-02 5188 0.724E-01 0.822E-01 RMM: 3 -0.320930462422E+03 0.44724E-02 -0.95789E-03 5768 0.192E-01 0.158E-01 RMM: 4 -0.320930242478E+03 0.21994E-03 -0.65750E-04 4718 0.566E-02 0.124E-01 RMM: 5 -0.320930149036E+03 0.93442E-04 -0.11335E-04 3773 0.276E-02 0.764E-02 RMM: 6 -0.320930112791E+03 0.36245E-04 -0.27663E-05 2734 0.163E-02 0.361E-02 RMM: 7 -0.320930108583E+03 0.42088E-05 -0.16056E-05 2492 0.120E-02 3194 T= 6296. E= 0.67495825E+03 F= 0.63533888E+03 E0= 0.66385646E+03 EK= 0.51273E+02 SP= -.12E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322410376508E+03 -0.14803E+01 -0.11157E-01 7760 0.237E+01 0.225E-01 RMM: 2 -0.322426441509E+03 -0.16065E-01 -0.96547E-02 5174 0.752E-01 0.109E+00 RMM: 3 -0.322418329981E+03 0.81115E-02 -0.10517E-02 5543 0.213E-01 0.212E-01 RMM: 4 -0.322417964787E+03 0.36519E-03 -0.87774E-04 4704 0.641E-02 0.957E-02 RMM: 5 -0.322417929752E+03 0.35035E-04 -0.13329E-04 3863 0.291E-02 0.866E-02 RMM: 6 -0.322417884104E+03 0.45648E-04 -0.32915E-05 2904 0.176E-02 0.410E-02 RMM: 7 -0.322417885107E+03 -0.10033E-05 -0.18193E-05 2513 0.129E-02 3195 T= 6514. E= 0.67495194E+03 F= 0.63385110E+03 E0= 0.66234208E+03 EK= 0.53047E+02 SP= -.12E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324190936093E+03 -0.17731E+01 -0.11166E-01 7872 0.241E+01 0.231E-01 RMM: 2 -0.324205793043E+03 -0.14857E-01 -0.90406E-02 5312 0.724E-01 0.107E+00 RMM: 3 -0.324198054771E+03 0.77383E-02 -0.89154E-03 5530 0.202E-01 0.213E-01 RMM: 4 -0.324197740382E+03 0.31439E-03 -0.86100E-04 4671 0.641E-02 0.115E-01 RMM: 5 -0.324197676745E+03 0.63636E-04 -0.14149E-04 3865 0.305E-02 0.893E-02 RMM: 6 -0.324197627239E+03 0.49507E-04 -0.33897E-05 2941 0.180E-02 0.365E-02 RMM: 7 -0.324197627135E+03 0.10386E-06 -0.17070E-05 2504 0.124E-02 3196 T= 6769. E= 0.67494443E+03 F= 0.63207136E+03 E0= 0.66053545E+03 EK= 0.55123E+02 SP= -.12E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326163114678E+03 -0.19655E+01 -0.11629E-01 7872 0.246E+01 0.228E-01 RMM: 2 -0.326177951319E+03 -0.14837E-01 -0.92119E-02 5322 0.730E-01 0.103E+00 RMM: 3 -0.326170551752E+03 0.73996E-02 -0.89390E-03 5557 0.199E-01 0.211E-01 RMM: 4 -0.326170225056E+03 0.32670E-03 -0.85719E-04 4657 0.651E-02 0.119E-01 RMM: 5 -0.326170148366E+03 0.76689E-04 -0.13965E-04 3852 0.303E-02 0.898E-02 RMM: 6 -0.326170097807E+03 0.50560E-04 -0.35796E-05 2966 0.187E-02 0.411E-02 RMM: 7 -0.326170096046E+03 0.17605E-05 -0.19807E-05 2518 0.128E-02 3197 T= 7048. E= 0.67493588E+03 F= 0.63009889E+03 E0= 0.65853644E+03 EK= 0.57391E+02 SP= -.13E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328215752720E+03 -0.20457E+01 -0.11875E-01 7944 0.250E+01 0.218E-01 RMM: 2 -0.328230449466E+03 -0.14697E-01 -0.10080E-01 5237 0.772E-01 0.979E-01 RMM: 3 -0.328224014372E+03 0.64351E-02 -0.10160E-02 5710 0.204E-01 0.193E-01 RMM: 4 -0.328223696938E+03 0.31743E-03 -0.75856E-04 4679 0.618E-02 0.116E-01 RMM: 5 -0.328223612909E+03 0.84029E-04 -0.12773E-04 3851 0.299E-02 0.774E-02 RMM: 6 -0.328223579870E+03 0.33039E-04 -0.28037E-05 2679 0.162E-02 0.426E-02 RMM: 7 -0.328223576785E+03 0.30852E-05 -0.22336E-05 2527 0.140E-02 3198 T= 7335. E= 0.67492687E+03 F= 0.62804541E+03 E0= 0.65645927E+03 EK= 0.59729E+02 SP= -.13E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330233824861E+03 -0.20102E+01 -0.12759E-01 7840 0.254E+01 0.199E-01 RMM: 2 -0.330247084280E+03 -0.13259E-01 -0.10220E-01 5223 0.775E-01 0.826E-01 RMM: 3 -0.330242417483E+03 0.46668E-02 -0.10083E-02 5806 0.194E-01 0.165E-01 RMM: 4 -0.330242179865E+03 0.23762E-03 -0.66758E-04 4648 0.614E-02 0.138E-01 RMM: 5 -0.330242050201E+03 0.12966E-03 -0.12873E-04 3846 0.304E-02 0.726E-02 RMM: 6 -0.330242022358E+03 0.27843E-04 -0.28119E-05 2731 0.163E-02 0.451E-02 RMM: 7 -0.330242014214E+03 0.81447E-05 -0.24510E-05 2535 0.143E-02 3199 T= 7614. E= 0.67491778E+03 F= 0.62602698E+03 E0= 0.65442005E+03 EK= 0.62007E+02 SP= -.13E+02 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332105948476E+03 -0.18639E+01 -0.12917E-01 7848 0.258E+01 0.202E-01 RMM: 2 -0.332120077500E+03 -0.14129E-01 -0.10743E-01 5172 0.801E-01 0.873E-01 RMM: 3 -0.332114983546E+03 0.50940E-02 -0.10966E-02 5821 0.206E-01 0.171E-01 RMM: 4 -0.332114705179E+03 0.27837E-03 -0.66854E-04 4688 0.601E-02 0.124E-01 RMM: 5 -0.332114600808E+03 0.10437E-03 -0.12035E-04 3809 0.299E-02 0.734E-02 RMM: 6 -0.332114574373E+03 0.26435E-04 -0.27378E-05 2616 0.158E-02 0.476E-02 RMM: 7 -0.332114564724E+03 0.96489E-05 -0.27096E-05 2562 0.152E-02 3200 T= 7871. E= 0.67490940E+03 F= 0.62415442E+03 E0= 0.65253125E+03 EK= 0.64098E+02 SP= -.13E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333736508240E+03 -0.16219E+01 -0.13055E-01 7848 0.261E+01 0.182E-01 RMM: 2 -0.333748886579E+03 -0.12378E-01 -0.10387E-01 5233 0.782E-01 0.720E-01 RMM: 3 -0.333745321332E+03 0.35652E-02 -0.99310E-03 5891 0.189E-01 0.149E-01 RMM: 4 -0.333745122554E+03 0.19878E-03 -0.56085E-04 4629 0.576E-02 0.139E-01 RMM: 5 -0.333744986333E+03 0.13622E-03 -0.11145E-04 3760 0.287E-02 0.668E-02 RMM: 6 -0.333744967079E+03 0.19255E-04 -0.24945E-05 2604 0.153E-02 3201 T= 8091. E= 0.67490289E+03 F= 0.62252402E+03 E0= 0.65088860E+03 EK= 0.65891E+02 SP= -.14E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335049255091E+03 -0.13043E+01 -0.13146E-01 7528 0.264E+01 0.208E-01 RMM: 2 -0.335066560007E+03 -0.17305E-01 -0.11283E-01 5092 0.811E-01 0.105E+00 RMM: 3 -0.335058846877E+03 0.77131E-02 -0.11872E-02 5506 0.232E-01 0.181E-01 RMM: 4 -0.335058634096E+03 0.21278E-03 -0.82301E-04 4789 0.607E-02 0.109E-01 RMM: 5 -0.335058542378E+03 0.91718E-04 -0.10872E-04 3797 0.290E-02 0.666E-02 RMM: 6 -0.335058528283E+03 0.14095E-04 -0.27683E-05 2579 0.153E-02 3202 T= 8264. E= 0.67489868E+03 F= 0.62121046E+03 E0= 0.64956805E+03 EK= 0.67298E+02 SP= -.14E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335994227004E+03 -0.93568E+00 -0.13421E-01 7328 0.266E+01 0.299E-01 RMM: 2 -0.336022226899E+03 -0.28000E-01 -0.11380E-01 5011 0.859E-01 0.166E+00 RMM: 3 -0.336003409141E+03 0.18818E-01 -0.15384E-02 5389 0.290E-01 0.248E-01 RMM: 4 -0.336002991222E+03 0.41792E-03 -0.14817E-03 4804 0.813E-02 0.110E-01 RMM: 5 -0.336002937711E+03 0.53512E-04 -0.17561E-04 3896 0.339E-02 0.969E-02 RMM: 6 -0.336002882374E+03 0.55337E-04 -0.40868E-05 2971 0.194E-02 0.489E-02 RMM: 7 -0.336002888913E+03 -0.65393E-05 -0.29133E-05 2580 0.167E-02 3203 T= 8381. E= 0.67489607E+03 F= 0.62026610E+03 E0= 0.64862131E+03 EK= 0.68253E+02 SP= -.14E+02 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336543252078E+03 -0.54037E+00 -0.13531E-01 7320 0.267E+01 0.247E-01 RMM: 2 -0.336563812344E+03 -0.20560E-01 -0.11072E-01 4957 0.832E-01 0.127E+00 RMM: 3 -0.336552456893E+03 0.11355E-01 -0.13373E-02 5395 0.264E-01 0.244E-01 RMM: 4 -0.336552119219E+03 0.33767E-03 -0.12358E-03 4821 0.771E-02 0.125E-01 RMM: 5 -0.336552032878E+03 0.86341E-04 -0.17570E-04 3887 0.353E-02 0.860E-02 RMM: 6 -0.336551986664E+03 0.46214E-04 -0.35546E-05 2917 0.182E-02 0.393E-02 RMM: 7 -0.336551988039E+03 -0.13747E-05 -0.22231E-05 2521 0.148E-02 3204 T= 8439. E= 0.67489469E+03 F= 0.61971700E+03 E0= 0.64807300E+03 EK= 0.68720E+02 SP= -.14E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336689005896E+03 -0.13702E+00 -0.14028E-01 7528 0.267E+01 0.199E-01 RMM: 2 -0.336706252629E+03 -0.17247E-01 -0.12124E-01 4891 0.868E-01 0.988E-01 RMM: 3 -0.336699527421E+03 0.67252E-02 -0.13971E-02 5600 0.244E-01 0.160E-01 RMM: 4 -0.336699325299E+03 0.20212E-03 -0.77505E-04 4714 0.648E-02 0.113E-01 RMM: 5 -0.336699240296E+03 0.85004E-04 -0.11931E-04 3807 0.312E-02 0.705E-02 RMM: 6 -0.336699217135E+03 0.23160E-04 -0.32376E-05 2694 0.172E-02 0.471E-02 RMM: 7 -0.336699216902E+03 0.23339E-06 -0.27045E-05 2554 0.157E-02 3205 T= 8435. E= 0.67489567E+03 F= 0.61956977E+03 E0= 0.64792899E+03 EK= 0.68692E+02 SP= -.13E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336447846457E+03 0.25137E+00 -0.13830E-01 7544 0.267E+01 0.180E-01 RMM: 2 -0.336462205238E+03 -0.14359E-01 -0.11728E-01 4836 0.856E-01 0.774E-01 RMM: 3 -0.336458058167E+03 0.41471E-02 -0.13676E-02 5716 0.237E-01 0.144E-01 RMM: 4 -0.336457890333E+03 0.16783E-03 -0.65310E-04 4707 0.611E-02 0.130E-01 RMM: 5 -0.336457782088E+03 0.10824E-03 -0.11525E-04 3800 0.330E-02 0.601E-02 RMM: 6 -0.336457765723E+03 0.16365E-04 -0.27966E-05 2580 0.160E-02 3206 T= 8373. E= 0.67489840E+03 F= 0.61981122E+03 E0= 0.64817400E+03 EK= 0.68182E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335849350689E+03 0.60843E+00 -0.13443E-01 7752 0.266E+01 0.181E-01 RMM: 2 -0.335864407478E+03 -0.15057E-01 -0.11883E-01 4819 0.859E-01 0.816E-01 RMM: 3 -0.335859914916E+03 0.44926E-02 -0.14162E-02 5655 0.244E-01 0.166E-01 RMM: 4 -0.335859684947E+03 0.22997E-03 -0.71254E-04 4706 0.628E-02 0.112E-01 RMM: 5 -0.335859597610E+03 0.87337E-04 -0.10720E-04 3754 0.303E-02 0.685E-02 RMM: 6 -0.335859577913E+03 0.19697E-04 -0.28801E-05 2577 0.161E-02 3207 T= 8256. E= 0.67490341E+03 F= 0.62040941E+03 E0= 0.64877439E+03 EK= 0.67228E+02 SP= -.13E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334949182580E+03 0.91042E+00 -0.13694E-01 7688 0.264E+01 0.350E-01 RMM: 2 -0.334984819245E+03 -0.35637E-01 -0.12590E-01 4822 0.924E-01 0.194E+00 RMM: 3 -0.334959232721E+03 0.25587E-01 -0.19362E-02 5373 0.338E-01 0.337E-01 RMM: 4 -0.334958389331E+03 0.84339E-03 -0.19085E-03 5097 0.918E-02 0.952E-02 RMM: 5 -0.334958365350E+03 0.23981E-04 -0.21050E-04 3940 0.332E-02 0.980E-02 RMM: 6 -0.334958306977E+03 0.58372E-04 -0.38004E-05 2942 0.185E-02 0.550E-02 RMM: 7 -0.334958313425E+03 -0.64480E-05 -0.30745E-05 2686 0.167E-02 3208 T= 8092. E= 0.67490972E+03 F= 0.62131068E+03 E0= 0.64967566E+03 EK= 0.65895E+02 SP= -.13E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333819637861E+03 0.11387E+01 -0.13888E-01 7648 0.262E+01 0.292E-01 RMM: 2 -0.333845521755E+03 -0.25884E-01 -0.13154E-01 4758 0.912E-01 0.147E+00 RMM: 3 -0.333830709469E+03 0.14812E-01 -0.17795E-02 5430 0.302E-01 0.302E-01 RMM: 4 -0.333830194178E+03 0.51529E-03 -0.18296E-03 5195 0.944E-02 0.153E-01 RMM: 5 -0.333830164930E+03 0.29248E-04 -0.25966E-04 3902 0.367E-02 0.149E-01 RMM: 6 -0.333830014899E+03 0.15003E-03 -0.82089E-05 3562 0.265E-02 0.370E-02 RMM: 7 -0.333830013075E+03 0.18241E-05 -0.19992E-05 2536 0.132E-02 3209 T= 7892. E= 0.67491794E+03 F= 0.62243898E+03 E0= 0.65080070E+03 EK= 0.64272E+02 SP= -.12E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332560820682E+03 0.12692E+01 -0.13886E-01 7632 0.259E+01 0.290E-01 RMM: 2 -0.332590232835E+03 -0.29412E-01 -0.14624E-01 4757 0.963E-01 0.158E+00 RMM: 3 -0.332573236015E+03 0.16997E-01 -0.19091E-02 5472 0.307E-01 0.273E-01 RMM: 4 -0.332572670870E+03 0.56515E-03 -0.15500E-03 4968 0.842E-02 0.111E-01 RMM: 5 -0.332572623026E+03 0.47844E-04 -0.20734E-04 3969 0.358E-02 0.996E-02 RMM: 6 -0.332572557090E+03 0.65936E-04 -0.51631E-05 3175 0.210E-02 0.478E-02 RMM: 7 -0.332572555397E+03 0.16930E-05 -0.22418E-05 2537 0.144E-02 3210 T= 7671. E= 0.67492725E+03 F= 0.62369643E+03 E0= 0.65205122E+03 EK= 0.62469E+02 SP= -.12E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331285518645E+03 0.12870E+01 -0.13687E-01 7552 0.256E+01 0.243E-01 RMM: 2 -0.331306975417E+03 -0.21457E-01 -0.13624E-01 4771 0.925E-01 0.119E+00 RMM: 3 -0.331297295009E+03 0.96804E-02 -0.17085E-02 5623 0.273E-01 0.219E-01 RMM: 4 -0.331296896567E+03 0.39844E-03 -0.11489E-03 4783 0.757E-02 0.115E-01 RMM: 5 -0.331296833455E+03 0.63112E-04 -0.16159E-04 4002 0.331E-02 0.818E-02 RMM: 6 -0.331296793613E+03 0.39842E-04 -0.35686E-05 2862 0.180E-02 0.386E-02 RMM: 7 -0.331296797896E+03 -0.42821E-05 -0.19460E-05 2516 0.138E-02 3211 T= 7443. E= 0.67493619E+03 F= 0.62497219E+03 E0= 0.65331808E+03 EK= 0.60612E+02 SP= -.11E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330099814122E+03 0.11970E+01 -0.13398E-01 7576 0.253E+01 0.226E-01 RMM: 2 -0.330118635571E+03 -0.18821E-01 -0.13324E-01 4810 0.902E-01 0.103E+00 RMM: 3 -0.330111366957E+03 0.72686E-02 -0.16162E-02 5691 0.256E-01 0.218E-01 RMM: 4 -0.330110954706E+03 0.41225E-03 -0.10365E-03 4789 0.741E-02 0.125E-01 RMM: 5 -0.330110892319E+03 0.62387E-04 -0.17094E-04 3924 0.348E-02 0.999E-02 RMM: 6 -0.330110825752E+03 0.66567E-04 -0.48750E-05 3149 0.208E-02 0.395E-02 RMM: 7 -0.330110824785E+03 0.96674E-06 -0.19031E-05 2516 0.134E-02 3212 T= 7223. E= 0.67494433E+03 F= 0.62615816E+03 E0= 0.65449391E+03 EK= 0.58821E+02 SP= -.11E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329095197061E+03 0.10156E+01 -0.13360E-01 7488 0.250E+01 0.227E-01 RMM: 2 -0.329114198395E+03 -0.19001E-01 -0.13170E-01 4760 0.902E-01 0.106E+00 RMM: 3 -0.329106559881E+03 0.76385E-02 -0.16303E-02 5669 0.262E-01 0.189E-01 RMM: 4 -0.329106225344E+03 0.33454E-03 -0.98984E-04 4777 0.696E-02 0.112E-01 RMM: 5 -0.329106165863E+03 0.59481E-04 -0.14627E-04 3926 0.331E-02 0.827E-02 RMM: 6 -0.329106124395E+03 0.41468E-04 -0.36356E-05 2869 0.180E-02 0.387E-02 RMM: 7 -0.329106128851E+03 -0.44555E-05 -0.20384E-05 2521 0.141E-02 3213 T= 7024. E= 0.67494976E+03 F= 0.62716286E+03 E0= 0.65548937E+03 EK= 0.57196E+02 SP= -.10E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328330512414E+03 0.77561E+00 -0.12228E-01 7544 0.248E+01 0.194E-01 RMM: 2 -0.328345055454E+03 -0.14543E-01 -0.10887E-01 4880 0.807E-01 0.867E-01 RMM: 3 -0.328339915711E+03 0.51397E-02 -0.12560E-02 5655 0.225E-01 0.195E-01 RMM: 4 -0.328339586419E+03 0.32929E-03 -0.75711E-04 4687 0.634E-02 0.105E-01 RMM: 5 -0.328339534646E+03 0.51773E-04 -0.12492E-04 3783 0.305E-02 0.821E-02 RMM: 6 -0.328339492190E+03 0.42456E-04 -0.34535E-05 2892 0.180E-02 0.370E-02 RMM: 7 -0.328339492009E+03 0.18136E-06 -0.17541E-05 2497 0.131E-02 3214 T= 6852. E= 0.67495219E+03 F= 0.62792950E+03 E0= 0.65624831E+03 EK= 0.55800E+02 SP= -.95E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327819139916E+03 0.52035E+00 -0.12084E-01 7520 0.246E+01 0.204E-01 RMM: 2 -0.327834103109E+03 -0.14963E-01 -0.10266E-01 4880 0.792E-01 0.962E-01 RMM: 3 -0.327827788848E+03 0.63143E-02 -0.12087E-02 5599 0.228E-01 0.160E-01 RMM: 4 -0.327827576599E+03 0.21225E-03 -0.75431E-04 4730 0.602E-02 0.106E-01 RMM: 5 -0.327827517873E+03 0.58726E-04 -0.11155E-04 3764 0.289E-02 0.789E-02 RMM: 6 -0.327827479860E+03 0.38013E-04 -0.30948E-05 2751 0.169E-02 0.357E-02 RMM: 7 -0.327827480731E+03 -0.87053E-06 -0.16673E-05 2502 0.126E-02 3215 T= 6712. E= 0.67495149E+03 F= 0.62844151E+03 E0= 0.65675500E+03 EK= 0.54656E+02 SP= -.89E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327539467911E+03 0.28801E+00 -0.12265E-01 7640 0.245E+01 0.183E-01 RMM: 2 -0.327552312153E+03 -0.12844E-01 -0.99171E-02 4864 0.774E-01 0.801E-01 RMM: 3 -0.327547933605E+03 0.43785E-02 -0.11486E-02 5648 0.217E-01 0.161E-01 RMM: 4 -0.327547721466E+03 0.21214E-03 -0.65074E-04 4740 0.571E-02 0.106E-01 RMM: 5 -0.327547655780E+03 0.65686E-04 -0.10347E-04 3709 0.281E-02 0.729E-02 RMM: 6 -0.327547623837E+03 0.31943E-04 -0.29178E-05 2692 0.165E-02 0.364E-02 RMM: 7 -0.327547622565E+03 0.12715E-05 -0.18028E-05 2494 0.132E-02 3216 T= 6600. E= 0.67494879E+03 F= 0.62872137E+03 E0= 0.65703144E+03 EK= 0.53746E+02 SP= -.83E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327443663556E+03 0.10396E+00 -0.12107E-01 7696 0.244E+01 0.204E-01 RMM: 2 -0.327457094158E+03 -0.13431E-01 -0.88141E-02 4961 0.736E-01 0.955E-01 RMM: 3 -0.327450940797E+03 0.61534E-02 -0.10087E-02 5593 0.209E-01 0.164E-01 RMM: 4 -0.327450751563E+03 0.18923E-03 -0.67397E-04 4665 0.588E-02 0.116E-01 RMM: 5 -0.327450679709E+03 0.71854E-04 -0.10494E-04 3695 0.278E-02 0.794E-02 RMM: 6 -0.327450641067E+03 0.38641E-04 -0.30077E-05 2788 0.170E-02 0.358E-02 RMM: 7 -0.327450640750E+03 0.31774E-06 -0.15943E-05 2497 0.123E-02 3217 T= 6511. E= 0.67494518E+03 F= 0.62881835E+03 E0= 0.65712665E+03 EK= 0.53023E+02 SP= -.77E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327470096876E+03 -0.19456E-01 -0.12165E-01 7632 0.243E+01 0.199E-01 RMM: 2 -0.327482627716E+03 -0.12531E-01 -0.96457E-02 4966 0.764E-01 0.814E-01 RMM: 3 -0.327478153146E+03 0.44746E-02 -0.11132E-02 5709 0.210E-01 0.135E-01 RMM: 4 -0.327478003884E+03 0.14926E-03 -0.65206E-04 4715 0.565E-02 0.137E-01 RMM: 5 -0.327477891717E+03 0.11217E-03 -0.10603E-04 3714 0.287E-02 0.696E-02 RMM: 6 -0.327477862816E+03 0.28900E-04 -0.28344E-05 2692 0.162E-02 0.354E-02 RMM: 7 -0.327477861751E+03 0.10653E-05 -0.18974E-05 2500 0.134E-02 3218 T= 6439. E= 0.67494216E+03 F= 0.62879113E+03 E0= 0.65709883E+03 EK= 0.52432E+02 SP= -.70E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327574677640E+03 -0.96815E-01 -0.11389E-01 7600 0.242E+01 0.207E-01 RMM: 2 -0.327587163628E+03 -0.12486E-01 -0.85112E-02 5102 0.716E-01 0.914E-01 RMM: 3 -0.327581604346E+03 0.55593E-02 -0.91368E-03 5678 0.192E-01 0.170E-01 RMM: 4 -0.327581392026E+03 0.21232E-03 -0.66728E-04 4632 0.596E-02 0.127E-01 RMM: 5 -0.327581299944E+03 0.92082E-04 -0.11026E-04 3701 0.279E-02 0.787E-02 RMM: 6 -0.327581262535E+03 0.37409E-04 -0.28280E-05 2767 0.167E-02 0.359E-02 RMM: 7 -0.327581261929E+03 0.60558E-06 -0.16508E-05 2493 0.122E-02 3219 T= 6377. E= 0.67494022E+03 F= 0.62868773E+03 E0= 0.65699567E+03 EK= 0.51927E+02 SP= -.64E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327726818520E+03 -0.14556E+00 -0.11188E-01 7624 0.241E+01 0.211E-01 RMM: 2 -0.327738607456E+03 -0.11789E-01 -0.81190E-02 5152 0.696E-01 0.891E-01 RMM: 3 -0.327733312552E+03 0.52949E-02 -0.86969E-03 5658 0.190E-01 0.163E-01 RMM: 4 -0.327733129239E+03 0.18331E-03 -0.65344E-04 4647 0.570E-02 0.133E-01 RMM: 5 -0.327733023651E+03 0.10559E-03 -0.11010E-04 3735 0.279E-02 0.723E-02 RMM: 6 -0.327732992469E+03 0.31182E-04 -0.27046E-05 2729 0.164E-02 0.338E-02 RMM: 7 -0.327732992952E+03 -0.48288E-06 -0.15934E-05 2492 0.118E-02 3220 T= 6322. E= 0.67494015E+03 F= 0.62853600E+03 E0= 0.65684493E+03 EK= 0.51482E+02 SP= -.58E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327923826722E+03 -0.19083E+00 -0.10861E-01 7552 0.239E+01 0.207E-01 RMM: 2 -0.327934987951E+03 -0.11161E-01 -0.76471E-02 5205 0.675E-01 0.876E-01 RMM: 3 -0.327929876622E+03 0.51113E-02 -0.79595E-03 5690 0.180E-01 0.166E-01 RMM: 4 -0.327929673167E+03 0.20346E-03 -0.62862E-04 4634 0.573E-02 0.129E-01 RMM: 5 -0.327929580703E+03 0.92463E-04 -0.10865E-04 3738 0.280E-02 0.755E-02 RMM: 6 -0.327929545220E+03 0.35483E-04 -0.25641E-05 2715 0.161E-02 0.343E-02 RMM: 7 -0.327929544883E+03 0.33705E-06 -0.14778E-05 2482 0.114E-02 3221 T= 6274. E= 0.67494118E+03 F= 0.62833944E+03 E0= 0.65665019E+03 EK= 0.51095E+02 SP= -.52E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328176660980E+03 -0.24712E+00 -0.10711E-01 7632 0.238E+01 0.201E-01 RMM: 2 -0.328188845520E+03 -0.12185E-01 -0.86524E-02 5049 0.719E-01 0.871E-01 RMM: 3 -0.328183758054E+03 0.50875E-02 -0.97816E-03 5725 0.195E-01 0.157E-01 RMM: 4 -0.328183534889E+03 0.22316E-03 -0.65972E-04 4666 0.576E-02 0.123E-01 RMM: 5 -0.328183448957E+03 0.85932E-04 -0.10885E-04 3745 0.285E-02 0.687E-02 RMM: 6 -0.328183420201E+03 0.28756E-04 -0.26066E-05 2663 0.158E-02 0.334E-02 RMM: 7 -0.328183420472E+03 -0.27096E-06 -0.16779E-05 2489 0.125E-02 3222 T= 6235. E= 0.67494221E+03 F= 0.62808557E+03 E0= 0.65639858E+03 EK= 0.50777E+02 SP= -.46E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328502488470E+03 -0.31907E+00 -0.10201E-01 7664 0.236E+01 0.178E-01 RMM: 2 -0.328512123944E+03 -0.96355E-02 -0.71867E-02 5115 0.660E-01 0.756E-01 RMM: 3 -0.328508369519E+03 0.37544E-02 -0.78524E-03 5764 0.173E-01 0.143E-01 RMM: 4 -0.328508178252E+03 0.19127E-03 -0.51092E-04 4535 0.520E-02 0.114E-01 RMM: 5 -0.328508104742E+03 0.73510E-04 -0.89350E-05 3624 0.270E-02 0.646E-02 RMM: 6 -0.328508079223E+03 0.25519E-04 -0.21997E-05 2573 0.146E-02 0.334E-02 RMM: 7 -0.328508078621E+03 0.60270E-06 -0.14151E-05 2480 0.115E-02 3223 T= 6206. E= 0.67494223E+03 F= 0.62776091E+03 E0= 0.65607676E+03 EK= 0.50542E+02 SP= -.40E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328896061750E+03 -0.38798E+00 -0.10418E-01 7912 0.235E+01 0.169E-01 RMM: 2 -0.328906010900E+03 -0.99492E-02 -0.75430E-02 4988 0.677E-01 0.745E-01 RMM: 3 -0.328902358237E+03 0.36527E-02 -0.85991E-03 5781 0.180E-01 0.136E-01 RMM: 4 -0.328902168921E+03 0.18932E-03 -0.50909E-04 4582 0.516E-02 0.106E-01 RMM: 5 -0.328902106431E+03 0.62490E-04 -0.84824E-05 3572 0.262E-02 0.619E-02 RMM: 6 -0.328902083269E+03 0.23162E-04 -0.22327E-05 2560 0.145E-02 0.319E-02 RMM: 7 -0.328902081970E+03 0.12983E-05 -0.15569E-05 2481 0.122E-02 3224 T= 6187. E= 0.67494023E+03 F= 0.62736691E+03 E0= 0.65568583E+03 EK= 0.50387E+02 SP= -.35E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329332421103E+03 -0.43034E+00 -0.10651E-01 7944 0.235E+01 0.148E-01 RMM: 2 -0.329341018471E+03 -0.85974E-02 -0.70761E-02 5009 0.647E-01 0.635E-01 RMM: 3 -0.329338395277E+03 0.26232E-02 -0.78450E-03 5887 0.165E-01 0.118E-01 RMM: 4 -0.329338224622E+03 0.17066E-03 -0.40875E-04 4371 0.484E-02 0.103E-01 RMM: 5 -0.329338159351E+03 0.65272E-04 -0.73868E-05 3488 0.260E-02 0.521E-02 RMM: 6 -0.329338144550E+03 0.14801E-04 -0.18547E-05 2529 0.128E-02 3225 T= 6175. E= 0.67493688E+03 F= 0.62693084E+03 E0= 0.65525403E+03 EK= 0.50286E+02 SP= -.29E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329757855496E+03 -0.41970E+00 -0.10606E-01 7744 0.236E+01 0.170E-01 RMM: 2 -0.329769611902E+03 -0.11756E-01 -0.78289E-02 4979 0.674E-01 0.872E-01 RMM: 3 -0.329764491141E+03 0.51208E-02 -0.88313E-03 5670 0.186E-01 0.169E-01 RMM: 4 -0.329764222919E+03 0.26822E-03 -0.55236E-04 4636 0.521E-02 0.786E-02 RMM: 5 -0.329764181795E+03 0.41124E-04 -0.77949E-05 3575 0.244E-02 0.566E-02 RMM: 6 -0.329764165721E+03 0.16074E-04 -0.20017E-05 2536 0.134E-02 3226 T= 6163. E= 0.67493265E+03 F= 0.62650482E+03 E0= 0.65483462E+03 EK= 0.50186E+02 SP= -.24E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330107848163E+03 -0.34367E+00 -0.10440E-01 7520 0.236E+01 0.268E-01 RMM: 2 -0.330129488751E+03 -0.21641E-01 -0.74356E-02 5113 0.683E-01 0.153E+00 RMM: 3 -0.330113362269E+03 0.16126E-01 -0.10174E-02 5391 0.240E-01 0.232E-01 RMM: 4 -0.330112976467E+03 0.38580E-03 -0.10850E-03 4650 0.678E-02 0.786E-02 RMM: 5 -0.330112944526E+03 0.31940E-04 -0.12442E-04 3908 0.269E-02 0.723E-02 RMM: 6 -0.330112914607E+03 0.29920E-04 -0.25046E-05 2623 0.156E-02 0.374E-02 RMM: 7 -0.330112918776E+03 -0.41698E-05 -0.17822E-05 2512 0.131E-02 3227 T= 6143. E= 0.67492850E+03 F= 0.62615607E+03 E0= 0.65449693E+03 EK= 0.50023E+02 SP= -.18E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330312222330E+03 -0.19931E+00 -0.10451E-01 7520 0.236E+01 0.234E-01 RMM: 2 -0.330327821725E+03 -0.15599E-01 -0.77432E-02 5054 0.686E-01 0.117E+00 RMM: 3 -0.330318296699E+03 0.95250E-02 -0.93625E-03 5437 0.215E-01 0.231E-01 RMM: 4 -0.330317970591E+03 0.32611E-03 -0.10699E-03 4677 0.728E-02 0.113E-01 RMM: 5 -0.330317920671E+03 0.49920E-04 -0.15571E-04 3849 0.307E-02 0.933E-02 RMM: 6 -0.330317864896E+03 0.55775E-04 -0.33873E-05 2965 0.180E-02 0.281E-02 RMM: 7 -0.330317864727E+03 0.16891E-06 -0.13887E-05 2482 0.115E-02 3228 T= 6107. E= 0.67492548E+03 F= 0.62595112E+03 E0= 0.65430971E+03 EK= 0.49733E+02 SP= -.13E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330322866825E+03 -0.50019E-02 -0.10496E-01 7408 0.236E+01 0.205E-01 RMM: 2 -0.330335517964E+03 -0.12651E-01 -0.71565E-02 5156 0.660E-01 0.102E+00 RMM: 3 -0.330328532979E+03 0.69850E-02 -0.79945E-03 5581 0.188E-01 0.153E-01 RMM: 4 -0.330328362663E+03 0.17032E-03 -0.61843E-04 4644 0.539E-02 0.109E-01 RMM: 5 -0.330328280310E+03 0.82353E-04 -0.91221E-05 3717 0.251E-02 0.608E-02 RMM: 6 -0.330328259634E+03 0.20675E-04 -0.22052E-05 2552 0.143E-02 0.357E-02 RMM: 7 -0.330328258719E+03 0.91542E-06 -0.17390E-05 2501 0.124E-02 3229 T= 6050. E= 0.67492428E+03 F= 0.62594073E+03 E0= 0.65432535E+03 EK= 0.49267E+02 SP= -.78E+00 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330116468185E+03 0.21179E+00 -0.10600E-01 7416 0.235E+01 0.186E-01 RMM: 2 -0.330126886461E+03 -0.10418E-01 -0.70686E-02 5049 0.656E-01 0.837E-01 RMM: 3 -0.330122248244E+03 0.46382E-02 -0.80987E-03 5682 0.182E-01 0.142E-01 RMM: 4 -0.330122075114E+03 0.17313E-03 -0.54323E-04 4633 0.514E-02 0.999E-02 RMM: 5 -0.330122011642E+03 0.63472E-04 -0.79598E-05 3587 0.245E-02 0.556E-02 RMM: 6 -0.330121996255E+03 0.15387E-04 -0.21143E-05 2551 0.140E-02 3230 T= 5969. E= 0.67492568E+03 F= 0.62614699E+03 E0= 0.65456748E+03 EK= 0.48609E+02 SP= -.29E+00 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329701746578E+03 0.42027E+00 -0.11189E-01 7536 0.233E+01 0.170E-01 RMM: 2 -0.329714754849E+03 -0.13008E-01 -0.93100E-02 4925 0.734E-01 0.841E-01 RMM: 3 -0.329709954431E+03 0.48004E-02 -0.10916E-02 5755 0.196E-01 0.156E-01 RMM: 4 -0.329709679188E+03 0.27524E-03 -0.59684E-04 4636 0.559E-02 0.905E-02 RMM: 5 -0.329709617496E+03 0.61692E-04 -0.81683E-05 3674 0.237E-02 0.550E-02 RMM: 6 -0.329709604473E+03 0.13023E-04 -0.20923E-05 2526 0.139E-02 3231 T= 5866. E= 0.67492921E+03 F= 0.62655938E+03 E0= 0.65502519E+03 EK= 0.47772E+02 SP= 0.18E+00 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329125391934E+03 0.58423E+00 -0.10491E-01 7304 0.231E+01 0.252E-01 RMM: 2 -0.329143780504E+03 -0.18389E-01 -0.74479E-02 5038 0.680E-01 0.135E+00 RMM: 3 -0.329131260866E+03 0.12520E-01 -0.98399E-03 5389 0.232E-01 0.259E-01 RMM: 4 -0.329130772611E+03 0.48825E-03 -0.10467E-03 4647 0.682E-02 0.628E-02 RMM: 5 -0.329130763502E+03 0.91088E-05 -0.12433E-04 4038 0.263E-02 3232 T= 5747. E= 0.67493495E+03 F= 0.62713823E+03 E0= 0.65565766E+03 EK= 0.46800E+02 SP= 0.62E+00 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328441879251E+03 0.68889E+00 -0.10288E-01 7616 0.228E+01 0.167E-01 RMM: 2 -0.328454430231E+03 -0.12551E-01 -0.80397E-02 4968 0.669E-01 0.882E-01 RMM: 3 -0.328448962081E+03 0.54681E-02 -0.91601E-03 5557 0.194E-01 0.164E-01 RMM: 4 -0.328448731772E+03 0.23031E-03 -0.63191E-04 4641 0.546E-02 0.864E-02 RMM: 5 -0.328448692735E+03 0.39036E-04 -0.80646E-05 3614 0.239E-02 0.644E-02 RMM: 6 -0.328448673501E+03 0.19234E-04 -0.20481E-05 2532 0.137E-02 3233 T= 5619. E= 0.67494206E+03 F= 0.62782032E+03 E0= 0.65639982E+03 EK= 0.45761E+02 SP= 0.10E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327736576692E+03 0.71212E+00 -0.10794E-01 7448 0.225E+01 0.277E-01 RMM: 2 -0.327758513567E+03 -0.21937E-01 -0.95772E-02 4832 0.762E-01 0.145E+00 RMM: 3 -0.327744142239E+03 0.14371E-01 -0.13167E-02 5385 0.264E-01 0.242E-01 RMM: 4 -0.327743711854E+03 0.43039E-03 -0.12426E-03 4893 0.692E-02 0.790E-02 RMM: 5 -0.327743719997E+03 -0.81436E-05 -0.15641E-04 3882 0.328E-02 3234 T= 5493. E= 0.67494981E+03 F= 0.62852527E+03 E0= 0.65716836E+03 EK= 0.44736E+02 SP= 0.14E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327098595070E+03 0.64512E+00 -0.10545E-01 7616 0.222E+01 0.184E-01 RMM: 2 -0.327113470860E+03 -0.14876E-01 -0.80044E-02 4987 0.658E-01 0.105E+00 RMM: 3 -0.327105493113E+03 0.79777E-02 -0.92863E-03 5422 0.213E-01 0.192E-01 RMM: 4 -0.327105264023E+03 0.22909E-03 -0.80837E-04 4805 0.573E-02 0.926E-02 RMM: 5 -0.327105206063E+03 0.57959E-04 -0.91164E-05 3705 0.261E-02 0.603E-02 RMM: 6 -0.327105187882E+03 0.18181E-04 -0.22439E-05 2546 0.141E-02 3235 T= 5381. E= 0.67495748E+03 F= 0.62916380E+03 E0= 0.65787131E+03 EK= 0.43816E+02 SP= 0.18E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326614347710E+03 0.49086E+00 -0.10970E-01 7592 0.219E+01 0.187E-01 RMM: 2 -0.326629136732E+03 -0.14789E-01 -0.89210E-02 4765 0.718E-01 0.101E+00 RMM: 3 -0.326622021935E+03 0.71148E-02 -0.10803E-02 5519 0.219E-01 0.190E-01 RMM: 4 -0.326621724307E+03 0.29763E-03 -0.78423E-04 4775 0.593E-02 0.705E-02 RMM: 5 -0.326621698782E+03 0.25526E-04 -0.98119E-05 3914 0.252E-02 0.635E-02 RMM: 6 -0.326621677701E+03 0.21080E-04 -0.20396E-05 2545 0.134E-02 0.383E-02 RMM: 7 -0.326621682437E+03 -0.47361E-05 -0.18365E-05 2498 0.136E-02 3236 T= 5291. E= 0.67496296E+03 F= 0.62964731E+03 E0= 0.65841819E+03 EK= 0.43090E+02 SP= 0.21E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326364994194E+03 0.25668E+00 -0.10727E-01 7536 0.218E+01 0.259E-01 RMM: 2 -0.326383869624E+03 -0.18875E-01 -0.90483E-02 4851 0.736E-01 0.131E+00 RMM: 3 -0.326372336541E+03 0.11533E-01 -0.11916E-02 5462 0.242E-01 0.251E-01 RMM: 4 -0.326371889233E+03 0.44731E-03 -0.11877E-03 4696 0.741E-02 0.984E-02 RMM: 5 -0.326371878016E+03 0.11217E-04 -0.16355E-04 3927 0.306E-02 3237 T= 5236. E= 0.67496801E+03 F= 0.62989711E+03 E0= 0.65872778E+03 EK= 0.42638E+02 SP= 0.23E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326410495711E+03 -0.38606E-01 -0.10193E-01 7736 0.216E+01 0.166E-01 RMM: 2 -0.326423290692E+03 -0.12795E-01 -0.80531E-02 5060 0.663E-01 0.912E-01 RMM: 3 -0.326417417551E+03 0.58731E-02 -0.88822E-03 5653 0.190E-01 0.151E-01 RMM: 4 -0.326417205497E+03 0.21205E-03 -0.53547E-04 4719 0.488E-02 0.772E-02 RMM: 5 -0.326417158163E+03 0.47334E-04 -0.63954E-05 3401 0.215E-02 0.632E-02 RMM: 6 -0.326417144789E+03 0.13374E-04 -0.24811E-05 2543 0.150E-02 3238 T= 5221. E= 0.67497133E+03 F= 0.62985184E+03 E0= 0.65873724E+03 EK= 0.42520E+02 SP= 0.25E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326785129645E+03 -0.36797E+00 -0.10843E-01 7664 0.216E+01 0.248E-01 RMM: 2 -0.326807759382E+03 -0.22630E-01 -0.91631E-02 4781 0.724E-01 0.147E+00 RMM: 3 -0.326792673841E+03 0.15086E-01 -0.12566E-02 5416 0.256E-01 0.224E-01 RMM: 4 -0.326792329305E+03 0.34454E-03 -0.12330E-03 5091 0.653E-02 0.790E-02 RMM: 5 -0.326792293059E+03 0.36247E-04 -0.11346E-04 3733 0.289E-02 0.753E-02 RMM: 6 -0.326792261542E+03 0.31517E-04 -0.26244E-05 2596 0.153E-02 0.456E-02 RMM: 7 -0.326792266834E+03 -0.52923E-05 -0.20783E-05 2519 0.145E-02 3239 T= 5252. E= 0.67497133E+03 F= 0.62947672E+03 E0= 0.65841054E+03 EK= 0.42768E+02 SP= 0.27E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327494340943E+03 -0.70208E+00 -0.10766E-01 8016 0.217E+01 0.365E-01 RMM: 2 -0.327526545058E+03 -0.32204E-01 -0.93966E-02 5069 0.760E-01 0.195E+00 RMM: 3 -0.327500957349E+03 0.25588E-01 -0.15130E-02 5390 0.300E-01 0.365E-01 RMM: 4 -0.327499994364E+03 0.96299E-03 -0.18587E-03 4833 0.917E-02 0.112E-01 RMM: 5 -0.327500071936E+03 -0.77573E-04 -0.29498E-04 3900 0.419E-02 0.160E-01 RMM: 6 -0.327499904836E+03 0.16710E-03 -0.89044E-05 3587 0.276E-02 0.443E-02 RMM: 7 -0.327499893407E+03 0.11429E-04 -0.17126E-05 2528 0.122E-02 3240 T= 5327. E= 0.67496911E+03 F= 0.62876910E+03 E0= 0.65774415E+03 EK= 0.43383E+02 SP= 0.28E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328501778734E+03 -0.10019E+01 -0.10914E-01 7856 0.219E+01 0.228E-01 RMM: 2 -0.328518599342E+03 -0.16821E-01 -0.84345E-02 5093 0.683E-01 0.121E+00 RMM: 3 -0.328508601751E+03 0.99976E-02 -0.10032E-02 5445 0.221E-01 0.212E-01 RMM: 4 -0.328508263789E+03 0.33796E-03 -0.90984E-04 4842 0.602E-02 0.885E-02 RMM: 5 -0.328508215931E+03 0.47859E-04 -0.11334E-04 3826 0.276E-02 0.737E-02 RMM: 6 -0.328508179297E+03 0.36634E-04 -0.27020E-05 2661 0.156E-02 0.399E-02 RMM: 7 -0.328508181420E+03 -0.21235E-05 -0.23838E-05 2567 0.141E-02 3241 T= 5444. E= 0.67496502E+03 F= 0.62776081E+03 E0= 0.65676818E+03 EK= 0.44333E+02 SP= 0.29E+01 SK= 0.42E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329750220856E+03 -0.12420E+01 -0.10987E-01 8112 0.221E+01 0.211E-01 RMM: 2 -0.329763577762E+03 -0.13357E-01 -0.82312E-02 5034 0.684E-01 0.979E-01 RMM: 3 -0.329756833653E+03 0.67441E-02 -0.94082E-03 5535 0.208E-01 0.204E-01 RMM: 4 -0.329756511803E+03 0.32185E-03 -0.78381E-04 4748 0.581E-02 0.811E-02 RMM: 5 -0.329756502682E+03 0.91216E-05 -0.11538E-04 3786 0.282E-02 3242 T= 5594. E= 0.67495970E+03 F= 0.62651249E+03 E0= 0.65554261E+03 EK= 0.45555E+02 SP= 0.29E+01 SK= 0.13E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331153167543E+03 -0.13967E+01 -0.11246E-01 8208 0.224E+01 0.121E-01 RMM: 2 -0.331163381389E+03 -0.10214E-01 -0.92782E-02 5063 0.691E-01 0.513E-01 RMM: 3 -0.331161389263E+03 0.19921E-02 -0.96649E-03 6137 0.172E-01 0.123E-01 RMM: 4 -0.331161140928E+03 0.24834E-03 -0.39802E-04 4329 0.474E-02 0.930E-02 RMM: 5 -0.331161080272E+03 0.60656E-04 -0.53754E-05 3203 0.225E-02 0.643E-02 RMM: 6 -0.331161067342E+03 0.12930E-04 -0.21410E-05 2512 0.135E-02 3243 T= 5767. E= 0.67495341E+03 F= 0.62510792E+03 E0= 0.65415148E+03 EK= 0.46962E+02 SP= 0.29E+01 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332619068520E+03 -0.14580E+01 -0.11769E-01 7848 0.228E+01 0.270E-01 RMM: 2 -0.332643425846E+03 -0.24357E-01 -0.10793E-01 4865 0.785E-01 0.151E+00 RMM: 3 -0.332627682187E+03 0.15744E-01 -0.14056E-02 5412 0.266E-01 0.231E-01 RMM: 4 -0.332627285691E+03 0.39650E-03 -0.13724E-03 5052 0.711E-02 0.846E-02 RMM: 5 -0.332627279326E+03 0.63649E-05 -0.15974E-04 3882 0.323E-02 3244 T= 5950. E= 0.67494677E+03 F= 0.62364171E+03 E0= 0.65268958E+03 EK= 0.48455E+02 SP= 0.28E+01 SK= 0.46E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334055594920E+03 -0.14283E+01 -0.11456E-01 7800 0.231E+01 0.259E-01 RMM: 2 -0.334079146524E+03 -0.23552E-01 -0.94784E-02 5063 0.724E-01 0.152E+00 RMM: 3 -0.334063271165E+03 0.15875E-01 -0.12540E-02 5405 0.253E-01 0.234E-01 RMM: 4 -0.334062907867E+03 0.36330E-03 -0.12653E-03 4782 0.704E-02 0.121E-01 RMM: 5 -0.334062825057E+03 0.82811E-04 -0.14989E-04 3877 0.316E-02 0.917E-02 RMM: 6 -0.334062778542E+03 0.46515E-04 -0.38519E-05 2954 0.186E-02 0.544E-02 RMM: 7 -0.334062783692E+03 -0.51502E-05 -0.33371E-05 2718 0.166E-02 3245 T= 6132. E= 0.67494043E+03 F= 0.62220621E+03 E0= 0.65124916E+03 EK= 0.49939E+02 SP= 0.28E+01 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335377856146E+03 -0.13151E+01 -0.11596E-01 7856 0.233E+01 0.200E-01 RMM: 2 -0.335391401438E+03 -0.13545E-01 -0.86992E-02 4847 0.691E-01 0.962E-01 RMM: 3 -0.335385072195E+03 0.63292E-02 -0.10255E-02 5576 0.208E-01 0.180E-01 RMM: 4 -0.335384841898E+03 0.23030E-03 -0.77790E-04 4735 0.599E-02 0.108E-01 RMM: 5 -0.335384792089E+03 0.49810E-04 -0.12459E-04 3813 0.297E-02 0.754E-02 RMM: 6 -0.335384755717E+03 0.36372E-04 -0.32933E-05 2942 0.173E-02 0.238E-02 RMM: 7 -0.335384760087E+03 -0.43702E-05 -0.12818E-05 2490 0.117E-02 3246 T= 6303. E= 0.67493541E+03 F= 0.62088423E+03 E0= 0.64991399E+03 EK= 0.51325E+02 SP= 0.27E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336519794223E+03 -0.11350E+01 -0.11702E-01 8040 0.235E+01 0.171E-01 RMM: 2 -0.336531664720E+03 -0.11870E-01 -0.85107E-02 5011 0.689E-01 0.823E-01 RMM: 3 -0.336526966952E+03 0.46978E-02 -0.94308E-03 5717 0.192E-01 0.144E-01 RMM: 4 -0.336526783807E+03 0.18315E-03 -0.57027E-04 4684 0.528E-02 0.117E-01 RMM: 5 -0.336526680019E+03 0.10379E-03 -0.92272E-05 3650 0.262E-02 0.584E-02 RMM: 6 -0.336526664055E+03 0.15963E-04 -0.23312E-05 2552 0.142E-02 3247 T= 6452. E= 0.67493229E+03 F= 0.61974233E+03 E0= 0.64875058E+03 EK= 0.52543E+02 SP= 0.26E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337431697433E+03 -0.90502E+00 -0.11828E-01 7864 0.237E+01 0.166E-01 RMM: 2 -0.337444321687E+03 -0.12624E-01 -0.84497E-02 4915 0.678E-01 0.879E-01 RMM: 3 -0.337438938232E+03 0.53835E-02 -0.96171E-03 5626 0.196E-01 0.183E-01 RMM: 4 -0.337438647891E+03 0.29034E-03 -0.61285E-04 4676 0.538E-02 0.756E-02 RMM: 5 -0.337438614507E+03 0.33384E-04 -0.84247E-05 3715 0.244E-02 0.686E-02 RMM: 6 -0.337438594131E+03 0.20377E-04 -0.28409E-05 2614 0.160E-02 0.579E-02 RMM: 7 -0.337438620826E+03 -0.26696E-04 -0.60177E-05 3435 0.215E-02 0.939E-02 RMM: 8 -0.337438556302E+03 0.64524E-04 -0.49694E-05 3079 0.183E-02 0.272E-02 RMM: 9 -0.337438556368E+03 -0.66419E-07 -0.16930E-05 2493 0.120E-02 3248 T= 6574. E= 0.67492909E+03 F= 0.61883043E+03 E0= 0.64781175E+03 EK= 0.53534E+02 SP= 0.26E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338076495272E+03 -0.63794E+00 -0.11341E-01 7888 0.239E+01 0.243E-01 RMM: 2 -0.338091964831E+03 -0.15470E-01 -0.80079E-02 4931 0.691E-01 0.117E+00 RMM: 3 -0.338082631874E+03 0.93330E-02 -0.99023E-03 5487 0.216E-01 0.186E-01 RMM: 4 -0.338082574161E+03 0.57713E-04 -0.11408E-03 4697 0.785E-02 0.191E-01 RMM: 5 -0.338082369651E+03 0.20451E-03 -0.22154E-04 3878 0.390E-02 0.988E-02 RMM: 6 -0.338082307608E+03 0.62042E-04 -0.46375E-05 3137 0.208E-02 0.315E-02 RMM: 7 -0.338082314867E+03 -0.72585E-05 -0.24117E-05 2548 0.151E-02 3249 T= 6663. E= 0.67492700E+03 F= 0.61818667E+03 E0= 0.64713417E+03 EK= 0.54256E+02 SP= 0.25E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338427521430E+03 -0.34521E+00 -0.12001E-01 7808 0.239E+01 0.146E-01 RMM: 2 -0.338438987247E+03 -0.11466E-01 -0.94325E-02 4934 0.717E-01 0.679E-01 RMM: 3 -0.338435795238E+03 0.31920E-02 -0.10788E-02 5955 0.190E-01 0.151E-01 RMM: 4 -0.338435488922E+03 0.30632E-03 -0.46014E-04 4529 0.501E-02 0.721E-02 RMM: 5 -0.338435452604E+03 0.36318E-04 -0.64925E-05 3402 0.242E-02 0.577E-02 RMM: 6 -0.338435441598E+03 0.11006E-04 -0.23106E-05 2541 0.144E-02 3250 T= 6715. E= 0.67492624E+03 F= 0.61783355E+03 E0= 0.64674206E+03 EK= 0.54683E+02 SP= 0.24E+01 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338482381773E+03 -0.46929E-01 -0.12721E-01 7776 0.240E+01 0.235E-01 RMM: 2 -0.338502285505E+03 -0.19904E-01 -0.92344E-02 4899 0.710E-01 0.133E+00 RMM: 3 -0.338489838647E+03 0.12447E-01 -0.11721E-02 5413 0.244E-01 0.187E-01 RMM: 4 -0.338489594888E+03 0.24376E-03 -0.11087E-03 5068 0.627E-02 0.851E-02 RMM: 5 -0.338489548745E+03 0.46143E-04 -0.97201E-05 3743 0.278E-02 0.696E-02 RMM: 6 -0.338489524669E+03 0.24075E-04 -0.24237E-05 2563 0.146E-02 0.491E-02 RMM: 7 -0.338489537203E+03 -0.12534E-04 -0.30499E-05 2695 0.169E-02 3251 T= 6730. E= 0.67492667E+03 F= 0.61777945E+03 E0= 0.64664486E+03 EK= 0.54805E+02 SP= 0.23E+01 SK= 0.73E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338246189266E+03 0.24334E+00 -0.13027E-01 7784 0.240E+01 0.250E-01 RMM: 2 -0.338266989495E+03 -0.20800E-01 -0.11877E-01 4802 0.811E-01 0.126E+00 RMM: 3 -0.338255987898E+03 0.11002E-01 -0.14865E-02 5509 0.262E-01 0.240E-01 RMM: 4 -0.338255561086E+03 0.42681E-03 -0.12928E-03 4865 0.756E-02 0.104E-01 RMM: 5 -0.338255558021E+03 0.30646E-05 -0.18557E-04 3904 0.339E-02 3252 T= 6709. E= 0.67492941E+03 F= 0.61801343E+03 E0= 0.64683114E+03 EK= 0.54631E+02 SP= 0.23E+01 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337758254177E+03 0.49731E+00 -0.12603E-01 7824 0.238E+01 0.189E-01 RMM: 2 -0.337777123966E+03 -0.18870E-01 -0.12341E-01 4940 0.798E-01 0.107E+00 RMM: 3 -0.337768999077E+03 0.81249E-02 -0.13990E-02 5652 0.233E-01 0.172E-01 RMM: 4 -0.337768675688E+03 0.32339E-03 -0.82648E-04 5173 0.580E-02 0.879E-02 RMM: 5 -0.337768615264E+03 0.60424E-04 -0.88692E-05 3697 0.267E-02 0.675E-02 RMM: 6 -0.337768609959E+03 0.53052E-05 -0.40476E-05 2953 0.184E-02 3253 T= 6655. E= 0.67493422E+03 F= 0.61850038E+03 E0= 0.64726710E+03 EK= 0.54198E+02 SP= 0.22E+01 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337079162328E+03 0.68945E+00 -0.12674E-01 7616 0.237E+01 0.288E-01 RMM: 2 -0.337112411991E+03 -0.33250E-01 -0.13050E-01 4728 0.828E-01 0.178E+00 RMM: 3 -0.337089851389E+03 0.22561E-01 -0.17590E-02 5419 0.297E-01 0.242E-01 RMM: 4 -0.337089431048E+03 0.42034E-03 -0.17739E-03 4980 0.841E-02 0.109E-01 RMM: 5 -0.337089417717E+03 0.13331E-04 -0.21015E-04 3998 0.336E-02 0.108E-01 RMM: 6 -0.337089339683E+03 0.78033E-04 -0.45114E-05 3114 0.197E-02 0.339E-02 RMM: 7 -0.337089338632E+03 0.10514E-05 -0.14914E-05 2505 0.124E-02 3254 T= 6578. E= 0.67494053E+03 F= 0.61917965E+03 E0= 0.64789265E+03 EK= 0.53568E+02 SP= 0.22E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336292725008E+03 0.79661E+00 -0.12983E-01 7824 0.236E+01 0.328E-01 RMM: 2 -0.336328063912E+03 -0.35339E-01 -0.12591E-01 4847 0.830E-01 0.191E+00 RMM: 3 -0.336302790457E+03 0.25273E-01 -0.18034E-02 5430 0.308E-01 0.317E-01 RMM: 4 -0.336302035114E+03 0.75534E-03 -0.18975E-03 4925 0.901E-02 0.950E-02 RMM: 5 -0.336302012441E+03 0.22673E-04 -0.22207E-04 4024 0.338E-02 0.106E-01 RMM: 6 -0.336301936625E+03 0.75816E-04 -0.43302E-05 3041 0.195E-02 0.411E-02 RMM: 7 -0.336301934623E+03 0.20019E-05 -0.20968E-05 2529 0.138E-02 3255 T= 6487. E= 0.67494779E+03 F= 0.61996705E+03 E0= 0.64862319E+03 EK= 0.52827E+02 SP= 0.22E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335491330719E+03 0.81061E+00 -0.13445E-01 7880 0.234E+01 0.235E-01 RMM: 2 -0.335515300746E+03 -0.23970E-01 -0.13510E-01 4791 0.848E-01 0.132E+00 RMM: 3 -0.335502985375E+03 0.12315E-01 -0.15914E-02 5570 0.261E-01 0.235E-01 RMM: 4 -0.335502480282E+03 0.50509E-03 -0.12184E-03 4837 0.735E-02 0.837E-02 RMM: 5 -0.335502470024E+03 0.10258E-04 -0.15932E-04 3943 0.319E-02 3256 T= 6395. E= 0.67495533E+03 F= 0.62076652E+03 E0= 0.64936451E+03 EK= 0.52074E+02 SP= 0.21E+01 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334772722888E+03 0.72976E+00 -0.12408E-01 7992 0.233E+01 0.141E-01 RMM: 2 -0.334787477951E+03 -0.14755E-01 -0.12391E-01 5014 0.779E-01 0.674E-01 RMM: 3 -0.334783692031E+03 0.37859E-02 -0.12927E-02 5983 0.215E-01 0.155E-01 RMM: 4 -0.334783385077E+03 0.30695E-03 -0.56091E-04 4726 0.520E-02 0.893E-02 RMM: 5 -0.334783329293E+03 0.55784E-04 -0.66046E-05 3374 0.237E-02 0.720E-02 RMM: 6 -0.334783320219E+03 0.90744E-05 -0.31153E-05 2631 0.167E-02 3257 T= 6312. E= 0.67496123E+03 F= 0.62148567E+03 E0= 0.65002299E+03 EK= 0.51404E+02 SP= 0.21E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334203264761E+03 0.58006E+00 -0.12798E-01 7784 0.232E+01 0.335E-01 RMM: 2 -0.334245731657E+03 -0.42467E-01 -0.16742E-01 4662 0.965E-01 0.201E+00 RMM: 3 -0.334217216731E+03 0.28515E-01 -0.22323E-02 5438 0.332E-01 0.297E-01 RMM: 4 -0.334216565240E+03 0.65149E-03 -0.22945E-03 5240 0.928E-02 0.946E-02 RMM: 5 -0.334216584249E+03 -0.19009E-04 -0.26234E-04 4063 0.345E-02 0.116E-01 RMM: 6 -0.334216496585E+03 0.87664E-04 -0.52262E-05 3230 0.209E-02 0.389E-02 RMM: 7 -0.334216491175E+03 0.54099E-05 -0.15077E-05 2506 0.119E-02 3258 T= 6249. E= 0.67496440E+03 F= 0.62205250E+03 E0= 0.65052917E+03 EK= 0.50889E+02 SP= 0.20E+01 SK= 0.62E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333832594919E+03 0.38390E+00 -0.11550E-01 7904 0.232E+01 0.362E-01 RMM: 2 -0.333874851194E+03 -0.42256E-01 -0.12559E-01 4835 0.830E-01 0.216E+00 RMM: 3 -0.333842459084E+03 0.32392E-01 -0.19634E-02 5378 0.332E-01 0.353E-01 RMM: 4 -0.333841549052E+03 0.91003E-03 -0.22390E-03 5227 0.965E-02 0.112E-01 RMM: 5 -0.333841548519E+03 0.53281E-06 -0.27049E-04 3922 0.385E-02 0.125E-01 RMM: 6 -0.333841435554E+03 0.11297E-03 -0.64569E-05 3392 0.226E-02 0.430E-02 RMM: 7 -0.333841430913E+03 0.46406E-05 -0.19777E-05 2549 0.129E-02 3259 T= 6210. E= 0.67496508E+03 F= 0.62242756E+03 E0= 0.65084434E+03 EK= 0.50572E+02 SP= 0.20E+01 SK= 0.87E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333649172570E+03 0.19226E+00 -0.12837E-01 7856 0.232E+01 0.218E-01 RMM: 2 -0.333672899123E+03 -0.23727E-01 -0.15181E-01 4789 0.893E-01 0.119E+00 RMM: 3 -0.333662446201E+03 0.10453E-01 -0.17367E-02 5657 0.260E-01 0.206E-01 RMM: 4 -0.333661974463E+03 0.47174E-03 -0.11197E-03 5043 0.692E-02 0.720E-02 RMM: 5 -0.333661961717E+03 0.12746E-04 -0.13968E-04 3940 0.299E-02 3260 T= 6196. E= 0.67496435E+03 F= 0.62260703E+03 E0= 0.65096673E+03 EK= 0.50460E+02 SP= 0.19E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333646607749E+03 0.15367E-01 -0.11243E-01 7960 0.233E+01 0.165E-01 RMM: 2 -0.333659686950E+03 -0.13079E-01 -0.97016E-02 5128 0.693E-01 0.795E-01 RMM: 3 -0.333654780982E+03 0.49060E-02 -0.93659E-03 5898 0.193E-01 0.169E-01 RMM: 4 -0.333654490692E+03 0.29029E-03 -0.52148E-04 4605 0.508E-02 0.826E-02 RMM: 5 -0.333654443510E+03 0.47181E-04 -0.65273E-05 3473 0.222E-02 0.684E-02 RMM: 6 -0.333654429119E+03 0.14392E-04 -0.23609E-05 2550 0.145E-02 3261 T= 6205. E= 0.67496225E+03 F= 0.62261456E+03 E0= 0.65092190E+03 EK= 0.50530E+02 SP= 0.18E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333772696575E+03 -0.11825E+00 -0.11394E-01 7880 0.234E+01 0.321E-01 RMM: 2 -0.333807111671E+03 -0.34415E-01 -0.11752E-01 4782 0.812E-01 0.190E+00 RMM: 3 -0.333782164033E+03 0.24948E-01 -0.17031E-02 5393 0.302E-01 0.277E-01 RMM: 4 -0.333781624842E+03 0.53919E-03 -0.17804E-03 5057 0.808E-02 0.860E-02 RMM: 5 -0.333781613970E+03 0.10873E-04 -0.17686E-04 3886 0.335E-02 3262 T= 6231. E= 0.67496011E+03 F= 0.62248738E+03 E0= 0.65074907E+03 EK= 0.50745E+02 SP= 0.17E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333998874302E+03 -0.21725E+00 -0.10683E-01 7760 0.235E+01 0.308E-01 RMM: 2 -0.334030185343E+03 -0.31311E-01 -0.11273E-01 5041 0.778E-01 0.178E+00 RMM: 3 -0.334008098171E+03 0.22087E-01 -0.15606E-02 5389 0.288E-01 0.322E-01 RMM: 4 -0.334007351058E+03 0.74711E-03 -0.17072E-03 4921 0.834E-02 0.103E-01 RMM: 5 -0.334007305330E+03 0.45728E-04 -0.19360E-04 3930 0.350E-02 0.949E-02 RMM: 6 -0.334007249097E+03 0.56233E-04 -0.40818E-05 2977 0.190E-02 0.533E-02 RMM: 7 -0.334007258105E+03 -0.90078E-05 -0.31139E-05 2661 0.164E-02 3263 T= 6271. E= 0.67495949E+03 F= 0.62226173E+03 E0= 0.65048617E+03 EK= 0.51071E+02 SP= 0.16E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334298847075E+03 -0.29160E+00 -0.10746E-01 7792 0.236E+01 0.250E-01 RMM: 2 -0.334319813621E+03 -0.20967E-01 -0.11496E-01 4750 0.805E-01 0.127E+00 RMM: 3 -0.334308466027E+03 0.11348E-01 -0.14062E-02 5533 0.250E-01 0.199E-01 RMM: 4 -0.334308168258E+03 0.29777E-03 -0.11038E-03 4891 0.687E-02 0.111E-01 RMM: 5 -0.334308128762E+03 0.39496E-04 -0.15298E-04 3861 0.318E-02 0.899E-02 RMM: 6 -0.334308074794E+03 0.53968E-04 -0.43121E-05 3107 0.194E-02 0.208E-02 RMM: 7 -0.334308079107E+03 -0.43130E-05 -0.12024E-05 2493 0.114E-02 3264 T= 6322. E= 0.67495919E+03 F= 0.62196091E+03 E0= 0.65015802E+03 EK= 0.51481E+02 SP= 0.15E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334664261417E+03 -0.35619E+00 -0.10308E-01 7576 0.237E+01 0.182E-01 RMM: 2 -0.334678755115E+03 -0.14494E-01 -0.11012E-01 4899 0.778E-01 0.837E-01 RMM: 3 -0.334673945142E+03 0.48100E-02 -0.12730E-02 5867 0.213E-01 0.161E-01 RMM: 4 -0.334673619189E+03 0.32595E-03 -0.65614E-04 4759 0.582E-02 0.106E-01 RMM: 5 -0.334673532330E+03 0.86859E-04 -0.95467E-05 3675 0.275E-02 0.589E-02 RMM: 6 -0.334673515420E+03 0.16910E-04 -0.22659E-05 2554 0.139E-02 3265 T= 6381. E= 0.67495901E+03 F= 0.62159547E+03 E0= 0.64977505E+03 EK= 0.51964E+02 SP= 0.14E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335089469212E+03 -0.41594E+00 -0.10191E-01 7608 0.237E+01 0.192E-01 RMM: 2 -0.335105746655E+03 -0.16277E-01 -0.98101E-02 4899 0.737E-01 0.106E+00 RMM: 3 -0.335097956220E+03 0.77904E-02 -0.11332E-02 5626 0.213E-01 0.181E-01 RMM: 4 -0.335097635941E+03 0.32028E-03 -0.71311E-04 4771 0.576E-02 0.798E-02 RMM: 5 -0.335097599178E+03 0.36763E-04 -0.94104E-05 3768 0.260E-02 0.725E-02 RMM: 6 -0.335097574094E+03 0.25084E-04 -0.28393E-05 2599 0.158E-02 0.587E-02 RMM: 7 -0.335097607185E+03 -0.33091E-04 -0.84143E-05 3850 0.245E-02 0.101E-01 RMM: 8 -0.335097533430E+03 0.73755E-04 -0.64059E-05 3483 0.196E-02 0.296E-02 RMM: 9 -0.335097530240E+03 0.31906E-05 -0.12749E-05 2488 0.104E-02 3266 T= 6448. E= 0.67495856E+03 F= 0.62117146E+03 E0= 0.64934401E+03 EK= 0.52510E+02 SP= 0.12E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335565261681E+03 -0.46773E+00 -0.10076E-01 7536 0.238E+01 0.235E-01 RMM: 2 -0.335579819003E+03 -0.14557E-01 -0.10261E-01 4880 0.765E-01 0.941E-01 RMM: 3 -0.335573616847E+03 0.62022E-02 -0.12105E-02 5668 0.219E-01 0.177E-01 RMM: 4 -0.335573596539E+03 0.20308E-04 -0.10894E-03 4754 0.772E-02 0.217E-01 RMM: 5 -0.335573313664E+03 0.28287E-03 -0.23071E-04 3886 0.390E-02 0.107E-01 RMM: 6 -0.335573240480E+03 0.73184E-04 -0.58182E-05 3327 0.230E-02 0.286E-02 RMM: 7 -0.335573248564E+03 -0.80840E-05 -0.20420E-05 2524 0.137E-02 3267 T= 6522. E= 0.67495744E+03 F= 0.62069574E+03 E0= 0.64887069E+03 EK= 0.53111E+02 SP= 0.11E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336079068631E+03 -0.50583E+00 -0.10060E-01 7568 0.238E+01 0.176E-01 RMM: 2 -0.336092155529E+03 -0.13087E-01 -0.89681E-02 5020 0.702E-01 0.880E-01 RMM: 3 -0.336086724401E+03 0.54311E-02 -0.98230E-03 5772 0.194E-01 0.171E-01 RMM: 4 -0.336086425876E+03 0.29852E-03 -0.59259E-04 4684 0.543E-02 0.794E-02 RMM: 5 -0.336086385720E+03 0.40157E-04 -0.77986E-05 3636 0.242E-02 0.612E-02 RMM: 6 -0.336086368726E+03 0.16993E-04 -0.19593E-05 2535 0.131E-02 3268 T= 6600. E= 0.67495571E+03 F= 0.62018262E+03 E0= 0.64836839E+03 EK= 0.53750E+02 SP= 0.99E+00 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336603075523E+03 -0.51669E+00 -0.10508E-01 7552 0.239E+01 0.230E-01 RMM: 2 -0.336620588582E+03 -0.17513E-01 -0.10167E-01 4909 0.747E-01 0.114E+00 RMM: 3 -0.336611556330E+03 0.90323E-02 -0.12456E-02 5508 0.240E-01 0.178E-01 RMM: 4 -0.336611304149E+03 0.25218E-03 -0.10277E-03 5026 0.610E-02 0.940E-02 RMM: 5 -0.336611241674E+03 0.62475E-04 -0.96817E-05 3836 0.275E-02 0.667E-02 RMM: 6 -0.336611223666E+03 0.18008E-04 -0.22346E-05 2543 0.141E-02 3269 T= 6680. E= 0.67495333E+03 F= 0.61965777E+03 E0= 0.64786073E+03 EK= 0.54397E+02 SP= 0.87E+00 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337105744706E+03 -0.49450E+00 -0.10778E-01 7384 0.240E+01 0.320E-01 RMM: 2 -0.337136919100E+03 -0.31174E-01 -0.11090E-01 4978 0.799E-01 0.181E+00 RMM: 3 -0.337114622255E+03 0.22297E-01 -0.15708E-02 5409 0.292E-01 0.333E-01 RMM: 4 -0.337113805505E+03 0.81675E-03 -0.17796E-03 4856 0.881E-02 0.989E-02 RMM: 5 -0.337113772857E+03 0.32649E-04 -0.20735E-04 4065 0.323E-02 0.957E-02 RMM: 6 -0.337113715608E+03 0.57249E-04 -0.30890E-05 2636 0.169E-02 0.548E-02 RMM: 7 -0.337113717826E+03 -0.22186E-05 -0.31884E-05 2740 0.171E-02 3270 T= 6756. E= 0.67495059E+03 F= 0.61915527E+03 E0= 0.64737939E+03 EK= 0.55015E+02 SP= 0.76E+00 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337549769254E+03 -0.43605E+00 -0.11020E-01 7568 0.241E+01 0.267E-01 RMM: 2 -0.337574316334E+03 -0.24547E-01 -0.11833E-01 4937 0.793E-01 0.145E+00 RMM: 3 -0.337559430587E+03 0.14886E-01 -0.14101E-02 5458 0.262E-01 0.270E-01 RMM: 4 -0.337558947833E+03 0.48275E-03 -0.15596E-03 4857 0.856E-02 0.126E-01 RMM: 5 -0.337558949651E+03 -0.18177E-05 -0.22851E-04 3960 0.352E-02 0.135E-01 RMM: 6 -0.337558827794E+03 0.12186E-03 -0.64583E-05 3418 0.237E-02 0.361E-02 RMM: 7 -0.337558831195E+03 -0.34013E-05 -0.19946E-05 2532 0.138E-02 3271 T= 6824. E= 0.67494785E+03 F= 0.61871016E+03 E0= 0.64695807E+03 EK= 0.55568E+02 SP= 0.65E+00 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337899699837E+03 -0.34087E+00 -0.11912E-01 7744 0.241E+01 0.240E-01 RMM: 2 -0.337923761116E+03 -0.24061E-01 -0.13864E-01 4923 0.856E-01 0.132E+00 RMM: 3 -0.337911415915E+03 0.12345E-01 -0.15779E-02 5657 0.254E-01 0.208E-01 RMM: 4 -0.337911002807E+03 0.41311E-03 -0.11700E-03 4827 0.733E-02 0.110E-01 RMM: 5 -0.337910935605E+03 0.67203E-04 -0.15481E-04 4005 0.299E-02 0.848E-02 RMM: 6 -0.337910893549E+03 0.42056E-04 -0.28647E-05 2628 0.162E-02 0.474E-02 RMM: 7 -0.337910889255E+03 0.42940E-05 -0.18238E-05 2509 0.133E-02 3272 T= 6879. E= 0.67494599E+03 F= 0.61835810E+03 E0= 0.64662959E+03 EK= 0.56016E+02 SP= 0.56E+00 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338126889982E+03 -0.21600E+00 -0.11960E-01 7744 0.242E+01 0.160E-01 RMM: 2 -0.338142843133E+03 -0.15953E-01 -0.13004E-01 4946 0.803E-01 0.778E-01 RMM: 3 -0.338138189521E+03 0.46536E-02 -0.13435E-02 6014 0.216E-01 0.159E-01 RMM: 4 -0.338137839075E+03 0.35045E-03 -0.63783E-04 4747 0.568E-02 0.856E-02 RMM: 5 -0.338137796015E+03 0.43060E-04 -0.80191E-05 3620 0.247E-02 0.651E-02 RMM: 6 -0.338137779123E+03 0.16891E-04 -0.20407E-05 2526 0.138E-02 3273 T= 6917. E= 0.67494415E+03 F= 0.61813121E+03 E0= 0.64642630E+03 EK= 0.56324E+02 SP= 0.48E+00 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338198838001E+03 -0.61042E-01 -0.12651E-01 7632 0.242E+01 0.226E-01 RMM: 2 -0.338222926779E+03 -0.24089E-01 -0.16134E-01 4842 0.903E-01 0.119E+00 RMM: 3 -0.338212712143E+03 0.10215E-01 -0.17901E-02 5766 0.262E-01 0.202E-01 RMM: 4 -0.338212238662E+03 0.47348E-03 -0.11206E-03 5003 0.693E-02 0.946E-02 RMM: 5 -0.338212183523E+03 0.55140E-04 -0.12557E-04 4130 0.278E-02 0.769E-02 RMM: 6 -0.338212160816E+03 0.22707E-04 -0.22916E-05 2537 0.142E-02 0.638E-02 RMM: 7 -0.338212160148E+03 0.66801E-06 -0.33140E-05 2708 0.170E-02 3274 T= 6934. E= 0.67494263E+03 F= 0.61805683E+03 E0= 0.64637483E+03 EK= 0.56464E+02 SP= 0.42E+00 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338104011574E+03 0.10815E+00 -0.12347E-01 8080 0.242E+01 0.243E-01 RMM: 2 -0.338123447322E+03 -0.19436E-01 -0.12726E-01 4987 0.802E-01 0.111E+00 RMM: 3 -0.338114312639E+03 0.91347E-02 -0.13436E-02 5664 0.240E-01 0.209E-01 RMM: 4 -0.338114021057E+03 0.29158E-03 -0.11775E-03 4743 0.753E-02 0.148E-01 RMM: 5 -0.338113960232E+03 0.60824E-04 -0.19408E-04 3895 0.352E-02 0.117E-01 RMM: 6 -0.338113871262E+03 0.88970E-04 -0.57293E-05 3306 0.224E-02 0.349E-02 RMM: 7 -0.338113871794E+03 -0.53167E-06 -0.16188E-05 2515 0.125E-02 3275 T= 6928. E= 0.67494203E+03 F= 0.61815512E+03 E0= 0.64649622E+03 EK= 0.56414E+02 SP= 0.37E+00 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337816485151E+03 0.29739E+00 -0.13565E-01 8072 0.242E+01 0.253E-01 RMM: 2 -0.337842762302E+03 -0.26277E-01 -0.15967E-01 4975 0.906E-01 0.135E+00 RMM: 3 -0.337829791883E+03 0.12970E-01 -0.16964E-02 5777 0.261E-01 0.211E-01 RMM: 4 -0.337829339002E+03 0.45288E-03 -0.11708E-03 4864 0.734E-02 0.114E-01 RMM: 5 -0.337829260843E+03 0.78159E-04 -0.16008E-04 3906 0.312E-02 0.803E-02 RMM: 6 -0.337829223248E+03 0.37595E-04 -0.33812E-05 2814 0.176E-02 0.444E-02 RMM: 7 -0.337829221817E+03 0.14309E-05 -0.18543E-05 2523 0.129E-02 3276 T= 6896. E= 0.67494265E+03 F= 0.61843977E+03 E0= 0.64680366E+03 EK= 0.56161E+02 SP= 0.34E+00 SK= 0.97E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.337344287325E+03 0.48494E+00 -0.12840E-01 8248 0.242E+01 0.170E-01 RMM: 2 -0.337360321208E+03 -0.16034E-01 -0.13460E-01 5057 0.805E-01 0.740E-01 RMM: 3 -0.337355660810E+03 0.46604E-02 -0.12866E-02 6013 0.216E-01 0.129E-01 RMM: 4 -0.337355410541E+03 0.25027E-03 -0.64823E-04 4822 0.554E-02 0.102E-01 RMM: 5 -0.337355344284E+03 0.66257E-04 -0.84716E-05 3586 0.267E-02 0.575E-02 RMM: 6 -0.337355329485E+03 0.14800E-04 -0.22268E-05 2548 0.140E-02 3277 T= 6840. E= 0.67494446E+03 F= 0.61891366E+03 E0= 0.64730168E+03 EK= 0.55704E+02 SP= 0.33E+00 SK= 0.12E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336694406181E+03 0.66094E+00 -0.13065E-01 8088 0.241E+01 0.220E-01 RMM: 2 -0.336715127511E+03 -0.20721E-01 -0.14142E-01 5078 0.822E-01 0.110E+00 RMM: 3 -0.336706135887E+03 0.89916E-02 -0.14119E-02 5860 0.235E-01 0.201E-01 RMM: 4 -0.336705718444E+03 0.41744E-03 -0.94004E-04 4753 0.658E-02 0.102E-01 RMM: 5 -0.336705658900E+03 0.59544E-04 -0.12431E-04 3898 0.283E-02 0.737E-02 RMM: 6 -0.336705630615E+03 0.28285E-04 -0.24977E-05 2568 0.149E-02 0.509E-02 RMM: 7 -0.336705631394E+03 -0.77836E-06 -0.28692E-05 2582 0.164E-02 3278 T= 6761. E= 0.67494693E+03 F= 0.61956336E+03 E0= 0.64797609E+03 EK= 0.55058E+02 SP= 0.33E+00 SK= 0.27E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.335900937717E+03 0.80469E+00 -0.12419E-01 8160 0.239E+01 0.260E-01 RMM: 2 -0.335922516542E+03 -0.21579E-01 -0.11882E-01 5157 0.769E-01 0.131E+00 RMM: 3 -0.335910116183E+03 0.12400E-01 -0.11819E-02 5707 0.232E-01 0.202E-01 RMM: 4 -0.335909860075E+03 0.25611E-03 -0.11587E-03 4669 0.750E-02 0.141E-01 RMM: 5 -0.335909814693E+03 0.45381E-04 -0.17370E-04 3860 0.330E-02 0.119E-01 RMM: 6 -0.335909719529E+03 0.95165E-04 -0.49220E-05 3196 0.213E-02 0.294E-02 RMM: 7 -0.335909723835E+03 -0.43062E-05 -0.17873E-05 2514 0.132E-02 3279 T= 6663. E= 0.67495046E+03 F= 0.62035927E+03 E0= 0.64879683E+03 EK= 0.54257E+02 SP= 0.33E+00 SK= 0.28E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334999562387E+03 0.91016E+00 -0.12948E-01 8152 0.237E+01 0.195E-01 RMM: 2 -0.335017138667E+03 -0.17576E-01 -0.13663E-01 5051 0.814E-01 0.893E-01 RMM: 3 -0.335011024661E+03 0.61140E-02 -0.13627E-02 6022 0.222E-01 0.148E-01 RMM: 4 -0.335010729469E+03 0.29519E-03 -0.72319E-04 4764 0.597E-02 0.123E-01 RMM: 5 -0.335010631489E+03 0.97980E-04 -0.10911E-04 3737 0.289E-02 0.629E-02 RMM: 6 -0.335010610607E+03 0.20882E-04 -0.25989E-05 2586 0.151E-02 0.424E-02 RMM: 7 -0.335010609161E+03 0.14462E-05 -0.23647E-05 2537 0.146E-02 3280 T= 6551. E= 0.67495517E+03 F= 0.62125838E+03 E0= 0.64972130E+03 EK= 0.53348E+02 SP= 0.35E+00 SK= 0.50E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334050986060E+03 0.95962E+00 -0.12541E-01 8080 0.235E+01 0.172E-01 RMM: 2 -0.334066033204E+03 -0.15047E-01 -0.12001E-01 5012 0.766E-01 0.794E-01 RMM: 3 -0.334061067470E+03 0.49657E-02 -0.11808E-02 6166 0.206E-01 0.140E-01 RMM: 4 -0.334060797879E+03 0.26959E-03 -0.57329E-04 4651 0.557E-02 0.103E-01 RMM: 5 -0.334060733578E+03 0.64302E-04 -0.81864E-05 3532 0.259E-02 0.614E-02 RMM: 6 -0.334060716392E+03 0.17185E-04 -0.21383E-05 2546 0.140E-02 3281 T= 6433. E= 0.67496040E+03 F= 0.62220827E+03 E0= 0.65069561E+03 EK= 0.52386E+02 SP= 0.37E+00 SK= 0.49E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333104692300E+03 0.95604E+00 -0.13134E-01 8120 0.233E+01 0.176E-01 RMM: 2 -0.333120576298E+03 -0.15884E-01 -0.12719E-01 5011 0.780E-01 0.792E-01 RMM: 3 -0.333115377787E+03 0.51985E-02 -0.12318E-02 5951 0.218E-01 0.155E-01 RMM: 4 -0.333115097097E+03 0.28069E-03 -0.66126E-04 4834 0.556E-02 0.969E-02 RMM: 5 -0.333115038452E+03 0.58645E-04 -0.82313E-05 3645 0.257E-02 0.636E-02 RMM: 6 -0.333115022322E+03 0.16130E-04 -0.21923E-05 2540 0.140E-02 3282 T= 6316. E= 0.67496521E+03 F= 0.62315397E+03 E0= 0.65166409E+03 EK= 0.51431E+02 SP= 0.38E+00 SK= 0.23E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332211905149E+03 0.90313E+00 -0.12668E-01 7960 0.231E+01 0.335E-01 RMM: 2 -0.332245563622E+03 -0.33658E-01 -0.11757E-01 5029 0.792E-01 0.188E+00 RMM: 3 -0.332220742858E+03 0.24821E-01 -0.16225E-02 5424 0.300E-01 0.292E-01 RMM: 4 -0.332220076651E+03 0.66621E-03 -0.17403E-03 4902 0.850E-02 0.814E-02 RMM: 5 -0.332220076561E+03 0.89802E-07 -0.18365E-04 4004 0.322E-02 3283 T= 6205. E= 0.67496963E+03 F= 0.62404891E+03 E0= 0.65257936E+03 EK= 0.50534E+02 SP= 0.39E+00 SK= 0.49E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.331395527256E+03 0.82455E+00 -0.12888E-01 8016 0.229E+01 0.205E-01 RMM: 2 -0.331416112514E+03 -0.20585E-01 -0.13001E-01 5219 0.777E-01 0.111E+00 RMM: 3 -0.331406379059E+03 0.97335E-02 -0.12626E-02 5484 0.242E-01 0.209E-01 RMM: 4 -0.331406055309E+03 0.32375E-03 -0.10638E-03 4989 0.651E-02 0.982E-02 RMM: 5 -0.331406004923E+03 0.50386E-04 -0.10774E-04 3857 0.282E-02 0.754E-02 RMM: 6 -0.331405980696E+03 0.24227E-04 -0.25752E-05 2563 0.153E-02 0.552E-02 RMM: 7 -0.331405998052E+03 -0.17356E-04 -0.35018E-05 2860 0.170E-02 3284 T= 6106. E= 0.67497258E+03 F= 0.62486299E+03 E0= 0.65341070E+03 EK= 0.49726E+02 SP= 0.38E+00 SK= 0.27E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330675455357E+03 0.73053E+00 -0.11914E-01 8200 0.227E+01 0.204E-01 RMM: 2 -0.330689676733E+03 -0.14221E-01 -0.10528E-01 4887 0.720E-01 0.848E-01 RMM: 3 -0.330683998409E+03 0.56783E-02 -0.10480E-02 5816 0.208E-01 0.162E-01 RMM: 4 -0.330683879037E+03 0.11937E-03 -0.80108E-04 4683 0.656E-02 0.163E-01 RMM: 5 -0.330683753764E+03 0.12527E-03 -0.15487E-04 3821 0.339E-02 0.850E-02 RMM: 6 -0.330683706391E+03 0.47373E-04 -0.36633E-05 2996 0.190E-02 0.239E-02 RMM: 7 -0.330683711771E+03 -0.53805E-05 -0.14088E-05 2495 0.118E-02 3285 T= 6020. E= 0.67497383E+03 F= 0.62558528E+03 E0= 0.65414572E+03 EK= 0.49023E+02 SP= 0.36E+00 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330038132900E+03 0.64557E+00 -0.12007E-01 8480 0.226E+01 0.172E-01 RMM: 2 -0.330053225180E+03 -0.15092E-01 -0.11351E-01 5022 0.754E-01 0.846E-01 RMM: 3 -0.330047736094E+03 0.54891E-02 -0.11661E-02 5976 0.208E-01 0.134E-01 RMM: 4 -0.330047483239E+03 0.25285E-03 -0.59041E-04 4819 0.533E-02 0.934E-02 RMM: 5 -0.330047417917E+03 0.65322E-04 -0.78684E-05 3581 0.259E-02 0.537E-02 RMM: 6 -0.330047405244E+03 0.12674E-04 -0.22163E-05 2541 0.138E-02 3286 T= 5946. E= 0.67497398E+03 F= 0.62622158E+03 E0= 0.65478958E+03 EK= 0.48422E+02 SP= 0.33E+00 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329469137319E+03 0.57828E+00 -0.11593E-01 8304 0.225E+01 0.168E-01 RMM: 2 -0.329484518179E+03 -0.15381E-01 -0.10538E-01 5006 0.716E-01 0.905E-01 RMM: 3 -0.329478072628E+03 0.64456E-02 -0.10491E-02 5573 0.210E-01 0.182E-01 RMM: 4 -0.329477771885E+03 0.30074E-03 -0.70179E-04 4848 0.561E-02 0.780E-02 RMM: 5 -0.329477742966E+03 0.28918E-04 -0.89291E-05 3670 0.265E-02 0.721E-02 RMM: 6 -0.329477717148E+03 0.25818E-04 -0.28731E-05 2622 0.159E-02 0.539E-02 RMM: 7 -0.329477758044E+03 -0.40896E-04 -0.65668E-05 3570 0.214E-02 0.100E-01 RMM: 8 -0.329477688760E+03 0.69284E-04 -0.52310E-05 3223 0.185E-02 0.228E-02 RMM: 9 -0.329477689037E+03 -0.27628E-06 -0.12954E-05 2479 0.104E-02 3287 T= 5883. E= 0.67497292E+03 F= 0.62679130E+03 E0= 0.65536170E+03 EK= 0.47904E+02 SP= 0.27E+00 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328943573740E+03 0.53412E+00 -0.10598E-01 8288 0.224E+01 0.251E-01 RMM: 2 -0.328961153286E+03 -0.17580E-01 -0.90348E-02 4995 0.677E-01 0.122E+00 RMM: 3 -0.328950193624E+03 0.10960E-01 -0.95308E-03 5611 0.216E-01 0.213E-01 RMM: 4 -0.328950003019E+03 0.19061E-03 -0.11487E-03 4667 0.776E-02 0.163E-01 RMM: 5 -0.328949898466E+03 0.10455E-03 -0.18199E-04 3862 0.342E-02 0.119E-01 RMM: 6 -0.328949804514E+03 0.93953E-04 -0.49681E-05 3206 0.219E-02 0.262E-02 RMM: 7 -0.328949811552E+03 -0.70385E-05 -0.21158E-05 2530 0.138E-02 3288 T= 5827. E= 0.67497195E+03 F= 0.62731918E+03 E0= 0.65588622E+03 EK= 0.47449E+02 SP= 0.19E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328435304003E+03 0.51450E+00 -0.10203E-01 8376 0.224E+01 0.151E-01 RMM: 2 -0.328446605294E+03 -0.11301E-01 -0.78817E-02 5334 0.613E-01 0.801E-01 RMM: 3 -0.328441523035E+03 0.50823E-02 -0.66297E-03 5757 0.169E-01 0.136E-01 RMM: 4 -0.328441370703E+03 0.15233E-03 -0.45617E-04 4480 0.450E-02 0.732E-02 RMM: 5 -0.328441338146E+03 0.32558E-04 -0.50085E-05 3212 0.205E-02 0.593E-02 RMM: 6 -0.328441322825E+03 0.15321E-04 -0.19318E-05 2519 0.135E-02 3289 T= 5776. E= 0.67497205E+03 F= 0.62782767E+03 E0= 0.65638501E+03 EK= 0.47037E+02 SP= 0.77E-01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327932936133E+03 0.50840E+00 -0.10071E-01 8040 0.223E+01 0.227E-01 RMM: 2 -0.327949900050E+03 -0.16964E-01 -0.82588E-02 5005 0.660E-01 0.122E+00 RMM: 3 -0.327939431082E+03 0.10469E-01 -0.99649E-03 5466 0.223E-01 0.193E-01 RMM: 4 -0.327939149912E+03 0.28117E-03 -0.90283E-04 5053 0.575E-02 0.784E-02 RMM: 5 -0.327939108651E+03 0.41262E-04 -0.79861E-05 3628 0.250E-02 0.672E-02 RMM: 6 -0.327939088737E+03 0.19914E-04 -0.22033E-05 2557 0.140E-02 3290 T= 5729. E= 0.67497272E+03 F= 0.62832990E+03 E0= 0.65687260E+03 EK= 0.46656E+02 SP= -.59E-01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327436947876E+03 0.50216E+00 -0.94783E-02 7744 0.222E+01 0.278E-01 RMM: 2 -0.327460293990E+03 -0.23346E-01 -0.78311E-02 5169 0.650E-01 0.158E+00 RMM: 3 -0.327442955324E+03 0.17339E-01 -0.10858E-02 5392 0.248E-01 0.303E-01 RMM: 4 -0.327442285285E+03 0.67004E-03 -0.13041E-03 4666 0.761E-02 0.811E-02 RMM: 5 -0.327442263791E+03 0.21494E-04 -0.14377E-04 4051 0.281E-02 0.823E-02 RMM: 6 -0.327442220864E+03 0.42928E-04 -0.21862E-05 2559 0.143E-02 0.461E-02 RMM: 7 -0.327442226745E+03 -0.58811E-05 -0.26318E-05 2614 0.157E-02 3291 T= 5686. E= 0.67497380E+03 F= 0.62882676E+03 E0= 0.65735017E+03 EK= 0.46305E+02 SP= -.22E+00 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326955013145E+03 0.48721E+00 -0.93163E-02 7776 0.221E+01 0.289E-01 RMM: 2 -0.326978912164E+03 -0.23899E-01 -0.85420E-02 4969 0.696E-01 0.159E+00 RMM: 3 -0.326961478300E+03 0.17434E-01 -0.11766E-02 5425 0.252E-01 0.280E-01 RMM: 4 -0.326960968531E+03 0.50977E-03 -0.14518E-03 4703 0.817E-02 0.109E-01 RMM: 5 -0.326961027469E+03 -0.58939E-04 -0.21273E-04 3910 0.341E-02 0.146E-01 RMM: 6 -0.326960881683E+03 0.14579E-03 -0.67035E-05 3422 0.243E-02 0.309E-02 RMM: 7 -0.326960883578E+03 -0.18952E-05 -0.18865E-05 2525 0.134E-02 3292 T= 5648. E= 0.67497600E+03 F= 0.62930811E+03 E0= 0.65780883E+03 EK= 0.45998E+02 SP= -.42E+00 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326509159586E+03 0.45172E+00 -0.91986E-02 7664 0.220E+01 0.209E-01 RMM: 2 -0.326525225573E+03 -0.16066E-01 -0.82279E-02 5030 0.665E-01 0.116E+00 RMM: 3 -0.326515854717E+03 0.93709E-02 -0.96148E-03 5506 0.209E-01 0.182E-01 RMM: 4 -0.326515610182E+03 0.24453E-03 -0.81453E-04 4712 0.585E-02 0.883E-02 RMM: 5 -0.326515564069E+03 0.46113E-04 -0.10415E-04 3802 0.255E-02 0.730E-02 RMM: 6 -0.326515528962E+03 0.35107E-04 -0.23101E-05 2561 0.146E-02 0.365E-02 RMM: 7 -0.326515526121E+03 0.28411E-05 -0.16317E-05 2495 0.123E-02 3293 T= 5618. E= 0.67497830E+03 F= 0.62975346E+03 E0= 0.65822965E+03 EK= 0.45753E+02 SP= -.65E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326126634680E+03 0.38889E+00 -0.90992E-02 7832 0.219E+01 0.164E-01 RMM: 2 -0.326136588088E+03 -0.99534E-02 -0.70663E-02 5010 0.621E-01 0.775E-01 RMM: 3 -0.326132466760E+03 0.41213E-02 -0.78485E-03 5775 0.174E-01 0.142E-01 RMM: 4 -0.326132261948E+03 0.20481E-03 -0.49006E-04 4603 0.467E-02 0.761E-02 RMM: 5 -0.326132233254E+03 0.28694E-04 -0.68744E-05 3467 0.233E-02 0.569E-02 RMM: 6 -0.326132215051E+03 0.18203E-04 -0.19831E-05 2546 0.135E-02 3294 T= 5599. E= 0.67498086E+03 F= 0.63013677E+03 E0= 0.65858784E+03 EK= 0.45599E+02 SP= -.91E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325833371396E+03 0.29886E+00 -0.98147E-02 7672 0.219E+01 0.184E-01 RMM: 2 -0.325848533128E+03 -0.15162E-01 -0.10219E-01 4772 0.754E-01 0.943E-01 RMM: 3 -0.325842190616E+03 0.63425E-02 -0.12169E-02 5739 0.213E-01 0.172E-01 RMM: 4 -0.325841855903E+03 0.33471E-03 -0.74364E-04 4864 0.580E-02 0.778E-02 RMM: 5 -0.325841818020E+03 0.37883E-04 -0.96319E-05 3873 0.253E-02 0.598E-02 RMM: 6 -0.325841798692E+03 0.19328E-04 -0.19471E-05 2534 0.129E-02 3295 T= 5596. E= 0.67498344E+03 F= 0.63042719E+03 E0= 0.65885425E+03 EK= 0.45567E+02 SP= -.12E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325671213313E+03 0.17060E+00 -0.89574E-02 7720 0.219E+01 0.248E-01 RMM: 2 -0.325689937969E+03 -0.18725E-01 -0.74536E-02 5002 0.659E-01 0.136E+00 RMM: 3 -0.325676990038E+03 0.12948E-01 -0.10036E-02 5414 0.230E-01 0.250E-01 RMM: 4 -0.325676520883E+03 0.46916E-03 -0.10402E-03 4721 0.657E-02 0.648E-02 RMM: 5 -0.325676508527E+03 0.12356E-04 -0.11988E-04 4036 0.261E-02 3296 T= 5611. E= 0.67498603E+03 F= 0.63059248E+03 E0= 0.65899771E+03 EK= 0.45691E+02 SP= -.15E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325656884028E+03 0.19637E-01 -0.94466E-02 7624 0.219E+01 0.145E-01 RMM: 2 -0.325668296170E+03 -0.11412E-01 -0.91354E-02 4782 0.702E-01 0.674E-01 RMM: 3 -0.325664957136E+03 0.33390E-02 -0.10718E-02 5837 0.195E-01 0.156E-01 RMM: 4 -0.325664671218E+03 0.28592E-03 -0.55966E-04 4789 0.513E-02 0.728E-02 RMM: 5 -0.325664643489E+03 0.27729E-04 -0.66911E-05 3396 0.230E-02 0.607E-02 RMM: 6 -0.325664631361E+03 0.12128E-04 -0.21252E-05 2525 0.140E-02 3297 T= 5648. E= 0.67498798E+03 F= 0.63060436E+03 E0= 0.65899150E+03 EK= 0.45998E+02 SP= -.19E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325818412096E+03 -0.15377E+00 -0.93780E-02 7704 0.220E+01 0.281E-01 RMM: 2 -0.325841215451E+03 -0.22803E-01 -0.96054E-02 4801 0.740E-01 0.147E+00 RMM: 3 -0.325825926084E+03 0.15289E-01 -0.13234E-02 5411 0.261E-01 0.264E-01 RMM: 4 -0.325825401578E+03 0.52451E-03 -0.13731E-03 4913 0.725E-02 0.725E-02 RMM: 5 -0.325825430140E+03 -0.28562E-04 -0.16930E-04 3894 0.315E-02 0.103E-01 RMM: 6 -0.325825361112E+03 0.69028E-04 -0.38128E-05 3025 0.186E-02 0.311E-02 RMM: 7 -0.325825358414E+03 0.26976E-05 -0.12705E-05 2487 0.114E-02 3298 T= 5711. E= 0.67498861E+03 F= 0.63044363E+03 E0= 0.65881681E+03 EK= 0.46507E+02 SP= -.23E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326157126760E+03 -0.33177E+00 -0.92403E-02 7664 0.221E+01 0.251E-01 RMM: 2 -0.326178256108E+03 -0.21129E-01 -0.87076E-02 4845 0.695E-01 0.142E+00 RMM: 3 -0.326164223475E+03 0.14033E-01 -0.12185E-02 5439 0.248E-01 0.233E-01 RMM: 4 -0.326163844907E+03 0.37857E-03 -0.11935E-03 4884 0.669E-02 0.919E-02 RMM: 5 -0.326163812456E+03 0.32450E-04 -0.14835E-04 3853 0.327E-02 0.800E-02 RMM: 6 -0.326163764915E+03 0.47542E-04 -0.35308E-05 2944 0.177E-02 0.300E-02 RMM: 7 -0.326163763573E+03 0.13418E-05 -0.13243E-05 2491 0.116E-02 3299 T= 5799. E= 0.67498797E+03 F= 0.63010523E+03 E0= 0.65846901E+03 EK= 0.47225E+02 SP= -.27E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326662781192E+03 -0.49902E+00 -0.98689E-02 7608 0.223E+01 0.204E-01 RMM: 2 -0.326678020164E+03 -0.15239E-01 -0.85262E-02 4835 0.689E-01 0.109E+00 RMM: 3 -0.326669796219E+03 0.82239E-02 -0.10647E-02 5566 0.216E-01 0.181E-01 RMM: 4 -0.326669498262E+03 0.29796E-03 -0.82768E-04 5101 0.555E-02 0.629E-02 RMM: 5 -0.326669478634E+03 0.19629E-04 -0.90199E-05 3678 0.264E-02 3300 T= 5911. E= 0.67498590E+03 F= 0.62959951E+03 E0= 0.65795916E+03 EK= 0.48139E+02 SP= -.32E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327306611199E+03 -0.63711E+00 -0.10248E-01 7624 0.226E+01 0.118E-01 RMM: 2 -0.327316703019E+03 -0.10092E-01 -0.88343E-02 4890 0.683E-01 0.554E-01 RMM: 3 -0.327314343887E+03 0.23591E-02 -0.98167E-03 6114 0.173E-01 0.109E-01 RMM: 4 -0.327314101497E+03 0.24239E-03 -0.36132E-04 4612 0.446E-02 0.693E-02 RMM: 5 -0.327314071657E+03 0.29840E-04 -0.40896E-05 2792 0.207E-02 0.586E-02 RMM: 6 -0.327314067929E+03 0.37283E-05 -0.22138E-05 2525 0.139E-02 3301 T= 6044. E= 0.67498314E+03 F= 0.62895492E+03 E0= 0.65731678E+03 EK= 0.49220E+02 SP= -.37E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328051020130E+03 -0.73695E+00 -0.10457E-01 7504 0.229E+01 0.256E-01 RMM: 2 -0.328072200958E+03 -0.21181E-01 -0.84836E-02 4853 0.687E-01 0.143E+00 RMM: 3 -0.328057787278E+03 0.14414E-01 -0.11657E-02 5398 0.245E-01 0.234E-01 RMM: 4 -0.328057418324E+03 0.36895E-03 -0.11976E-03 4892 0.670E-02 0.879E-02 RMM: 5 -0.328057409541E+03 0.87836E-05 -0.14927E-04 3840 0.320E-02 3302 T= 6192. E= 0.67497976E+03 F= 0.62821158E+03 E0= 0.65658235E+03 EK= 0.50427E+02 SP= -.42E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328843569757E+03 -0.78615E+00 -0.10616E-01 7480 0.232E+01 0.254E-01 RMM: 2 -0.328863278905E+03 -0.19709E-01 -0.91132E-02 5047 0.722E-01 0.136E+00 RMM: 3 -0.328850802974E+03 0.12476E-01 -0.11699E-02 5418 0.245E-01 0.260E-01 RMM: 4 -0.328850334289E+03 0.46869E-03 -0.11522E-03 4806 0.687E-02 0.874E-02 RMM: 5 -0.328850297273E+03 0.37015E-04 -0.14604E-04 3870 0.311E-02 0.877E-02 RMM: 6 -0.328850251225E+03 0.46048E-04 -0.35264E-05 2862 0.179E-02 0.447E-02 RMM: 7 -0.328850254374E+03 -0.31495E-05 -0.22913E-05 2560 0.138E-02 3303 T= 6350. E= 0.67497747E+03 F= 0.62741873E+03 E0= 0.65580441E+03 EK= 0.51707E+02 SP= -.47E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329637108052E+03 -0.78686E+00 -0.10961E-01 7536 0.235E+01 0.191E-01 RMM: 2 -0.329651698303E+03 -0.14590E-01 -0.98329E-02 4862 0.744E-01 0.934E-01 RMM: 3 -0.329645528990E+03 0.61693E-02 -0.11800E-02 5736 0.205E-01 0.153E-01 RMM: 4 -0.329645256401E+03 0.27259E-03 -0.70439E-04 4817 0.579E-02 0.931E-02 RMM: 5 -0.329645216877E+03 0.39524E-04 -0.10914E-04 3742 0.283E-02 0.673E-02 RMM: 6 -0.329645189369E+03 0.27508E-04 -0.27801E-05 2704 0.158E-02 0.264E-02 RMM: 7 -0.329645191479E+03 -0.21099E-05 -0.12169E-05 2483 0.112E-02 3304 T= 6509. E= 0.67497453E+03 F= 0.62662380E+03 E0= 0.65503122E+03 EK= 0.53006E+02 SP= -.52E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330391428130E+03 -0.74624E+00 -0.11447E-01 7608 0.238E+01 0.168E-01 RMM: 2 -0.330402904907E+03 -0.11477E-01 -0.96221E-02 4950 0.751E-01 0.709E-01 RMM: 3 -0.330399654811E+03 0.32501E-02 -0.11099E-02 5955 0.192E-01 0.120E-01 RMM: 4 -0.330399440438E+03 0.21437E-03 -0.56001E-04 4661 0.558E-02 0.126E-01 RMM: 5 -0.330399330386E+03 0.11005E-03 -0.97737E-05 3685 0.284E-02 0.553E-02 RMM: 6 -0.330399314989E+03 0.15397E-04 -0.23566E-05 2541 0.140E-02 3305 T= 6665. E= 0.67497214E+03 F= 0.62586967E+03 E0= 0.65430297E+03 EK= 0.54277E+02 SP= -.57E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331070765616E+03 -0.67144E+00 -0.11064E-01 7560 0.240E+01 0.140E-01 RMM: 2 -0.331081650287E+03 -0.10885E-01 -0.85594E-02 4966 0.695E-01 0.698E-01 RMM: 3 -0.331078293778E+03 0.33565E-02 -0.98065E-03 5911 0.179E-01 0.141E-01 RMM: 4 -0.331078009773E+03 0.28400E-03 -0.43032E-04 4454 0.485E-02 0.697E-02 RMM: 5 -0.331077973175E+03 0.36598E-04 -0.60845E-05 3264 0.232E-02 0.536E-02 RMM: 6 -0.331077964310E+03 0.88654E-05 -0.23613E-05 2532 0.145E-02 3306 T= 6813. E= 0.67497060E+03 F= 0.62519102E+03 E0= 0.65365387E+03 EK= 0.55480E+02 SP= -.62E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331650096894E+03 -0.57212E+00 -0.11314E-01 7464 0.243E+01 0.284E-01 RMM: 2 -0.331673995229E+03 -0.23898E-01 -0.82257E-02 5132 0.717E-01 0.162E+00 RMM: 3 -0.331656175863E+03 0.17819E-01 -0.11211E-02 5379 0.250E-01 0.257E-01 RMM: 4 -0.331655727150E+03 0.44871E-03 -0.12668E-03 4682 0.746E-02 0.929E-02 RMM: 5 -0.331655688885E+03 0.38265E-04 -0.16671E-04 3880 0.321E-02 0.846E-02 RMM: 6 -0.331655643669E+03 0.45215E-04 -0.35449E-05 2942 0.183E-02 0.385E-02 RMM: 7 -0.331655643886E+03 -0.21664E-06 -0.17709E-05 2496 0.132E-02 3307 T= 6948. E= 0.67496965E+03 F= 0.62461335E+03 E0= 0.65310712E+03 EK= 0.56580E+02 SP= -.67E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332109878769E+03 -0.45424E+00 -0.11891E-01 7632 0.244E+01 0.223E-01 RMM: 2 -0.332124636620E+03 -0.14758E-01 -0.76057E-02 5134 0.679E-01 0.113E+00 RMM: 3 -0.332115968372E+03 0.86682E-02 -0.87468E-03 5413 0.210E-01 0.242E-01 RMM: 4 -0.332115561717E+03 0.40666E-03 -0.97846E-04 4622 0.685E-02 0.846E-02 RMM: 5 -0.332115519296E+03 0.42421E-04 -0.13568E-04 3870 0.296E-02 0.738E-02 RMM: 6 -0.332115485140E+03 0.34156E-04 -0.26668E-05 2632 0.159E-02 0.320E-02 RMM: 7 -0.332115483901E+03 0.12389E-05 -0.17579E-05 2499 0.125E-02 3308 T= 7067. E= 0.67496950E+03 F= 0.62415351E+03 E0= 0.65267699E+03 EK= 0.57554E+02 SP= -.72E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332441956352E+03 -0.32647E+00 -0.12119E-01 7736 0.246E+01 0.178E-01 RMM: 2 -0.332454552655E+03 -0.12596E-01 -0.81024E-02 4977 0.694E-01 0.933E-01 RMM: 3 -0.332448772785E+03 0.57799E-02 -0.92457E-03 5687 0.193E-01 0.164E-01 RMM: 4 -0.332448523459E+03 0.24933E-03 -0.59095E-04 4700 0.536E-02 0.826E-02 RMM: 5 -0.332448475932E+03 0.47527E-04 -0.89644E-05 3647 0.259E-02 0.578E-02 RMM: 6 -0.332448458437E+03 0.17496E-04 -0.23795E-05 2560 0.145E-02 3309 T= 7170. E= 0.67497003E+03 F= 0.62382053E+03 E0= 0.65237110E+03 EK= 0.58386E+02 SP= -.76E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332646237132E+03 -0.19776E+00 -0.12427E-01 7680 0.247E+01 0.188E-01 RMM: 2 -0.332659499842E+03 -0.13263E-01 -0.84655E-02 4968 0.710E-01 0.961E-01 RMM: 3 -0.332653368143E+03 0.61317E-02 -0.98684E-03 5600 0.206E-01 0.177E-01 RMM: 4 -0.332653095617E+03 0.27253E-03 -0.67889E-04 4758 0.554E-02 0.804E-02 RMM: 5 -0.332653049923E+03 0.45694E-04 -0.87073E-05 3686 0.255E-02 0.623E-02 RMM: 6 -0.332653031138E+03 0.18785E-04 -0.21158E-05 2536 0.136E-02 3310 T= 7253. E= 0.67497098E+03 F= 0.62361596E+03 E0= 0.65218986E+03 EK= 0.59068E+02 SP= -.81E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332725400175E+03 -0.72350E-01 -0.12837E-01 7408 0.248E+01 0.255E-01 RMM: 2 -0.332747917044E+03 -0.22517E-01 -0.99992E-02 4870 0.788E-01 0.144E+00 RMM: 3 -0.332733727269E+03 0.14190E-01 -0.13211E-02 5409 0.260E-01 0.260E-01 RMM: 4 -0.332733227115E+03 0.50015E-03 -0.12684E-03 4747 0.739E-02 0.793E-02 RMM: 5 -0.332733196024E+03 0.31091E-04 -0.15033E-04 4125 0.297E-02 0.760E-02 RMM: 6 -0.332733161306E+03 0.34718E-04 -0.25055E-05 2558 0.146E-02 0.493E-02 RMM: 7 -0.332733161197E+03 0.10904E-06 -0.26422E-05 2569 0.163E-02 3311 T= 7319. E= 0.67497164E+03 F= 0.62353583E+03 E0= 0.65212858E+03 EK= 0.59599E+02 SP= -.85E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332684140637E+03 0.49021E-01 -0.13272E-01 7496 0.248E+01 0.229E-01 RMM: 2 -0.332701539918E+03 -0.17399E-01 -0.99414E-02 4773 0.776E-01 0.114E+00 RMM: 3 -0.332692446702E+03 0.90932E-02 -0.12503E-02 5444 0.247E-01 0.238E-01 RMM: 4 -0.332692088331E+03 0.35837E-03 -0.11925E-03 4757 0.762E-02 0.112E-01 RMM: 5 -0.332692076819E+03 0.11512E-04 -0.17873E-04 3896 0.341E-02 3312 T= 7365. E= 0.67497344E+03 F= 0.62357691E+03 E0= 0.65218330E+03 EK= 0.59977E+02 SP= -.88E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332519984047E+03 0.17210E+00 -0.13459E-01 7760 0.249E+01 0.183E-01 RMM: 2 -0.332538731487E+03 -0.18747E-01 -0.12336E-01 4825 0.829E-01 0.105E+00 RMM: 3 -0.332530793263E+03 0.79382E-02 -0.14241E-02 5692 0.237E-01 0.156E-01 RMM: 4 -0.332530522598E+03 0.27066E-03 -0.78589E-04 4962 0.599E-02 0.921E-02 RMM: 5 -0.332530454536E+03 0.68063E-04 -0.99074E-05 3986 0.280E-02 0.606E-02 RMM: 6 -0.332530444411E+03 0.10125E-04 -0.23982E-05 2540 0.144E-02 3313 T= 7392. E= 0.67497523E+03 F= 0.62373854E+03 E0= 0.65235410E+03 EK= 0.60199E+02 SP= -.92E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332231685391E+03 0.29877E+00 -0.13758E-01 7656 0.249E+01 0.250E-01 RMM: 2 -0.332253943026E+03 -0.22258E-01 -0.13775E-01 4682 0.903E-01 0.123E+00 RMM: 3 -0.332243391208E+03 0.10552E-01 -0.17144E-02 5491 0.281E-01 0.224E-01 RMM: 4 -0.332242977805E+03 0.41340E-03 -0.13528E-03 5092 0.730E-02 0.792E-02 RMM: 5 -0.332242954743E+03 0.23063E-04 -0.14953E-04 3976 0.320E-02 0.767E-02 RMM: 6 -0.332242919513E+03 0.35230E-04 -0.28210E-05 2622 0.159E-02 0.374E-02 RMM: 7 -0.332242923187E+03 -0.36743E-05 -0.16025E-05 2503 0.129E-02 3314 T= 7399. E= 0.67497519E+03 F= 0.62402607E+03 E0= 0.65264680E+03 EK= 0.60256E+02 SP= -.95E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331802860239E+03 0.44006E+00 -0.13298E-01 7848 0.249E+01 0.248E-01 RMM: 2 -0.331825554575E+03 -0.22694E-01 -0.14234E-01 4722 0.895E-01 0.122E+00 RMM: 3 -0.331815222441E+03 0.10332E-01 -0.17435E-02 5529 0.276E-01 0.252E-01 RMM: 4 -0.331814741407E+03 0.48103E-03 -0.14495E-03 4893 0.827E-02 0.124E-01 RMM: 5 -0.331814686273E+03 0.55134E-04 -0.20013E-04 3943 0.354E-02 0.102E-01 RMM: 6 -0.331814615069E+03 0.71204E-04 -0.46110E-05 3096 0.200E-02 0.327E-02 RMM: 7 -0.331814613657E+03 0.14113E-05 -0.16642E-05 2506 0.128E-02 3315 T= 7384. E= 0.67497475E+03 F= 0.62445438E+03 E0= 0.65307609E+03 EK= 0.60132E+02 SP= -.97E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331211612330E+03 0.60300E+00 -0.14204E-01 7800 0.248E+01 0.209E-01 RMM: 2 -0.331232282328E+03 -0.20670E-01 -0.14356E-01 4760 0.891E-01 0.107E+00 RMM: 3 -0.331224160200E+03 0.81221E-02 -0.16926E-02 5714 0.259E-01 0.208E-01 RMM: 4 -0.331223706158E+03 0.45404E-03 -0.10173E-03 4940 0.685E-02 0.812E-02 RMM: 5 -0.331223675322E+03 0.30836E-04 -0.13327E-04 3936 0.305E-02 0.729E-02 RMM: 6 -0.331223646133E+03 0.29189E-04 -0.28743E-05 2631 0.162E-02 0.440E-02 RMM: 7 -0.331223653235E+03 -0.71029E-05 -0.21056E-05 2561 0.139E-02 3316 T= 7344. E= 0.67497441E+03 F= 0.62504534E+03 E0= 0.65366461E+03 EK= 0.59806E+02 SP= -.10E+02 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330435144208E+03 0.78850E+00 -0.13860E-01 7920 0.248E+01 0.174E-01 RMM: 2 -0.330452096321E+03 -0.16952E-01 -0.14607E-01 4738 0.896E-01 0.740E-01 RMM: 3 -0.330448123332E+03 0.39730E-02 -0.17483E-02 6129 0.244E-01 0.155E-01 RMM: 4 -0.330447735945E+03 0.38739E-03 -0.76484E-04 4735 0.659E-02 0.113E-01 RMM: 5 -0.330447666910E+03 0.69034E-04 -0.11226E-04 3698 0.307E-02 0.705E-02 RMM: 6 -0.330447640111E+03 0.26799E-04 -0.29124E-05 2583 0.163E-02 0.343E-02 RMM: 7 -0.330447640673E+03 -0.56178E-06 -0.15366E-05 2495 0.125E-02 3317 T= 7277. E= 0.67497464E+03 F= 0.62582135E+03 E0= 0.65443513E+03 EK= 0.59258E+02 SP= -.10E+02 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329456132177E+03 0.99151E+00 -0.14017E-01 7992 0.247E+01 0.160E-01 RMM: 2 -0.329474091927E+03 -0.17960E-01 -0.16344E-01 4755 0.947E-01 0.644E-01 RMM: 3 -0.329470682811E+03 0.34091E-02 -0.18487E-02 6207 0.247E-01 0.126E-01 RMM: 4 -0.329470293945E+03 0.38887E-03 -0.73838E-04 4808 0.662E-02 0.105E-01 RMM: 5 -0.329470227823E+03 0.66122E-04 -0.98664E-05 3631 0.303E-02 0.639E-02 RMM: 6 -0.329470208710E+03 0.19113E-04 -0.26039E-05 2553 0.154E-02 3318 T= 7180. E= 0.67497578E+03 F= 0.62679878E+03 E0= 0.65540316E+03 EK= 0.58473E+02 SP= -.10E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328270535752E+03 0.11997E+01 -0.14422E-01 7864 0.246E+01 0.181E-01 RMM: 2 -0.328292388915E+03 -0.21853E-01 -0.17296E-01 4760 0.975E-01 0.925E-01 RMM: 3 -0.328286106377E+03 0.62825E-02 -0.19975E-02 5955 0.265E-01 0.186E-01 RMM: 4 -0.328285582568E+03 0.52381E-03 -0.89007E-04 5083 0.664E-02 0.755E-02 RMM: 5 -0.328285549065E+03 0.33503E-04 -0.10618E-04 3936 0.287E-02 0.679E-02 RMM: 6 -0.328285532539E+03 0.16526E-04 -0.23665E-05 2551 0.150E-02 3319 T= 7055. E= 0.67497840E+03 F= 0.62798346E+03 E0= 0.65657495E+03 EK= 0.57451E+02 SP= -.10E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326894720147E+03 0.13908E+01 -0.13618E-01 7992 0.244E+01 0.317E-01 RMM: 2 -0.326930522155E+03 -0.35802E-01 -0.14385E-01 4823 0.896E-01 0.186E+00 RMM: 3 -0.326906254055E+03 0.24268E-01 -0.18852E-02 5401 0.316E-01 0.258E-01 RMM: 4 -0.326905759575E+03 0.49448E-03 -0.19157E-03 5140 0.851E-02 0.894E-02 RMM: 5 -0.326905731315E+03 0.28260E-04 -0.18400E-04 4077 0.321E-02 0.953E-02 RMM: 6 -0.326905676767E+03 0.54548E-04 -0.34720E-05 2838 0.177E-02 0.480E-02 RMM: 7 -0.326905678980E+03 -0.22137E-05 -0.20764E-05 2526 0.145E-02 3320 T= 6902. E= 0.67498201E+03 F= 0.62936331E+03 E0= 0.65793717E+03 EK= 0.56209E+02 SP= -.11E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325351072199E+03 0.15546E+01 -0.13798E-01 8064 0.242E+01 0.275E-01 RMM: 2 -0.325377309665E+03 -0.26237E-01 -0.14710E-01 4815 0.888E-01 0.139E+00 RMM: 3 -0.325363303831E+03 0.14006E-01 -0.17385E-02 5512 0.287E-01 0.264E-01 RMM: 4 -0.325362811501E+03 0.49233E-03 -0.16572E-03 5022 0.870E-02 0.125E-01 RMM: 5 -0.325362834194E+03 -0.22694E-04 -0.24097E-04 3908 0.380E-02 0.138E-01 RMM: 6 -0.325362701325E+03 0.13287E-03 -0.67295E-05 3420 0.234E-02 0.306E-02 RMM: 7 -0.325362702622E+03 -0.12970E-05 -0.17647E-05 2525 0.127E-02 3321 T= 6728. E= 0.67498700E+03 F= 0.63090629E+03 E0= 0.65945849E+03 EK= 0.54786E+02 SP= -.11E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323696734427E+03 0.16660E+01 -0.13969E-01 8064 0.239E+01 0.216E-01 RMM: 2 -0.323718054329E+03 -0.21320E-01 -0.14941E-01 4870 0.891E-01 0.108E+00 RMM: 3 -0.323709482421E+03 0.85719E-02 -0.16529E-02 5835 0.252E-01 0.178E-01 RMM: 4 -0.323709074313E+03 0.40811E-03 -0.93386E-04 4921 0.668E-02 0.976E-02 RMM: 5 -0.323709023534E+03 0.50778E-04 -0.13133E-04 3896 0.300E-02 0.744E-02 RMM: 6 -0.323708988851E+03 0.34684E-04 -0.30627E-05 2710 0.165E-02 0.422E-02 RMM: 7 -0.323708987792E+03 0.10588E-05 -0.18943E-05 2509 0.137E-02 3322 T= 6538. E= 0.67499372E+03 F= 0.63256000E+03 E0= 0.66108619E+03 EK= 0.53242E+02 SP= -.11E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322005975305E+03 0.17030E+01 -0.13150E-01 7936 0.235E+01 0.159E-01 RMM: 2 -0.322022318722E+03 -0.16343E-01 -0.14610E-01 4846 0.880E-01 0.650E-01 RMM: 3 -0.322018914067E+03 0.34047E-02 -0.16458E-02 6189 0.231E-01 0.125E-01 RMM: 4 -0.322018557504E+03 0.35656E-03 -0.64071E-04 4863 0.593E-02 0.974E-02 RMM: 5 -0.322018494557E+03 0.62947E-04 -0.88303E-05 3643 0.276E-02 0.565E-02 RMM: 6 -0.322018479811E+03 0.14746E-04 -0.24253E-05 2554 0.149E-02 3323 T= 6344. E= 0.67500170E+03 F= 0.63425051E+03 E0= 0.66274815E+03 EK= 0.51658E+02 SP= -.11E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320370160917E+03 0.16483E+01 -0.13282E-01 7832 0.232E+01 0.186E-01 RMM: 2 -0.320389298442E+03 -0.19138E-01 -0.14943E-01 4828 0.892E-01 0.902E-01 RMM: 3 -0.320383289246E+03 0.60092E-02 -0.16858E-02 5946 0.244E-01 0.176E-01 RMM: 4 -0.320382839290E+03 0.44996E-03 -0.80080E-04 4946 0.637E-02 0.865E-02 RMM: 5 -0.320382790685E+03 0.48605E-04 -0.10657E-04 3951 0.272E-02 0.667E-02 RMM: 6 -0.320382769543E+03 0.21142E-04 -0.24790E-05 2559 0.151E-02 0.499E-02 RMM: 7 -0.320382770917E+03 -0.13739E-05 -0.28645E-05 2611 0.161E-02 3324 T= 6156. E= 0.67500985E+03 F= 0.63588622E+03 E0= 0.66435408E+03 EK= 0.50132E+02 SP= -.11E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318894741611E+03 0.14880E+01 -0.12049E-01 7912 0.229E+01 0.217E-01 RMM: 2 -0.318912276595E+03 -0.17535E-01 -0.11688E-01 4812 0.809E-01 0.103E+00 RMM: 3 -0.318904616863E+03 0.76597E-02 -0.13745E-02 5725 0.238E-01 0.199E-01 RMM: 4 -0.318904259019E+03 0.35784E-03 -0.98020E-04 4736 0.715E-02 0.115E-01 RMM: 5 -0.318904228475E+03 0.30544E-04 -0.14764E-04 3824 0.317E-02 0.958E-02 RMM: 6 -0.318904167206E+03 0.61269E-04 -0.37251E-05 2976 0.187E-02 0.287E-02 RMM: 7 -0.318904170594E+03 -0.33882E-05 -0.16554E-05 2500 0.131E-02 3325 T= 5989. E= 0.67501767E+03 F= 0.63736482E+03 E0= 0.66580468E+03 EK= 0.48772E+02 SP= -.11E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317676650415E+03 0.12275E+01 -0.11291E-01 7752 0.226E+01 0.168E-01 RMM: 2 -0.317690494490E+03 -0.13844E-01 -0.10983E-01 4906 0.766E-01 0.770E-01 RMM: 3 -0.317686063749E+03 0.44307E-02 -0.12090E-02 5877 0.212E-01 0.144E-01 RMM: 4 -0.317685804490E+03 0.25926E-03 -0.59914E-04 4745 0.556E-02 0.941E-02 RMM: 5 -0.317685737978E+03 0.66512E-04 -0.86031E-05 3636 0.250E-02 0.622E-02 RMM: 6 -0.317685718769E+03 0.19209E-04 -0.24186E-05 2557 0.149E-02 3326 T= 5856. E= 0.67502560E+03 F= 0.63858327E+03 E0= 0.66699930E+03 EK= 0.47687E+02 SP= -.11E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316813916792E+03 0.87182E+00 -0.10985E-01 7600 0.224E+01 0.194E-01 RMM: 2 -0.316830275823E+03 -0.16359E-01 -0.97933E-02 4853 0.737E-01 0.107E+00 RMM: 3 -0.316822211910E+03 0.80639E-02 -0.11516E-02 5591 0.226E-01 0.180E-01 RMM: 4 -0.316821924584E+03 0.28733E-03 -0.78333E-04 4899 0.581E-02 0.706E-02 RMM: 5 -0.316821894716E+03 0.29868E-04 -0.86261E-05 3751 0.248E-02 0.659E-02 RMM: 6 -0.316821875814E+03 0.18902E-04 -0.22979E-05 2548 0.144E-02 3327 T= 5768. E= 0.67503185E+03 F= 0.63944711E+03 E0= 0.66784566E+03 EK= 0.46975E+02 SP= -.11E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316376653859E+03 0.44524E+00 -0.10920E-01 7496 0.223E+01 0.309E-01 RMM: 2 -0.316404370939E+03 -0.27717E-01 -0.10528E-01 4779 0.793E-01 0.167E+00 RMM: 3 -0.316385021046E+03 0.19350E-01 -0.15734E-02 5398 0.296E-01 0.310E-01 RMM: 4 -0.316384326295E+03 0.69475E-03 -0.16768E-03 4970 0.833E-02 0.817E-02 RMM: 5 -0.316384311231E+03 0.15064E-04 -0.19075E-04 3946 0.314E-02 3328 T= 5736. E= 0.67503586E+03 F= 0.63988468E+03 E0= 0.66827398E+03 EK= 0.46710E+02 SP= -.12E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316398900419E+03 -0.14574E-01 -0.10891E-01 7568 0.224E+01 0.232E-01 RMM: 2 -0.316419597998E+03 -0.20698E-01 -0.11198E-01 4790 0.795E-01 0.125E+00 RMM: 3 -0.316408554832E+03 0.11043E-01 -0.13923E-02 5480 0.253E-01 0.238E-01 RMM: 4 -0.316408083604E+03 0.47123E-03 -0.11827E-03 4813 0.714E-02 0.858E-02 RMM: 5 -0.316408059747E+03 0.23857E-04 -0.15247E-04 4048 0.301E-02 0.743E-02 RMM: 6 -0.316408026508E+03 0.33240E-04 -0.27301E-05 2588 0.153E-02 0.444E-02 RMM: 7 -0.316408033232E+03 -0.67241E-05 -0.20316E-05 2535 0.141E-02 3329 T= 5763. E= 0.67503649E+03 F= 0.63986096E+03 E0= 0.66825058E+03 EK= 0.46929E+02 SP= -.12E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316873010507E+03 -0.46498E+00 -0.11146E-01 7544 0.226E+01 0.218E-01 RMM: 2 -0.316890504109E+03 -0.17494E-01 -0.11917E-01 4678 0.827E-01 0.102E+00 RMM: 3 -0.316883143737E+03 0.73604E-02 -0.14257E-02 5710 0.235E-01 0.181E-01 RMM: 4 -0.316882862119E+03 0.28162E-03 -0.98123E-04 4766 0.698E-02 0.129E-01 RMM: 5 -0.316882804705E+03 0.57415E-04 -0.16258E-04 3829 0.319E-02 0.942E-02 RMM: 6 -0.316882748044E+03 0.56661E-04 -0.47025E-05 3153 0.204E-02 0.222E-02 RMM: 7 -0.316882753782E+03 -0.57384E-05 -0.13641E-05 2501 0.118E-02 3330 T= 5848. E= 0.67503314E+03 F= 0.63938624E+03 E0= 0.66778652E+03 EK= 0.47622E+02 SP= -.12E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317740861821E+03 -0.85811E+00 -0.11158E-01 7600 0.229E+01 0.158E-01 RMM: 2 -0.317754600456E+03 -0.13739E-01 -0.11501E-01 4731 0.818E-01 0.705E-01 RMM: 3 -0.317751189255E+03 0.34112E-02 -0.14363E-02 6060 0.215E-01 0.127E-01 RMM: 4 -0.317750864255E+03 0.32500E-03 -0.61704E-04 4720 0.602E-02 0.101E-01 RMM: 5 -0.317750792255E+03 0.71999E-04 -0.94605E-05 3591 0.286E-02 0.567E-02 RMM: 6 -0.317750776217E+03 0.16038E-04 -0.23762E-05 2540 0.141E-02 3331 T= 5984. E= 0.67502666E+03 F= 0.63851821E+03 E0= 0.66693934E+03 EK= 0.48732E+02 SP= -.12E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318901812179E+03 -0.11510E+01 -0.11741E-01 7320 0.232E+01 0.174E-01 RMM: 2 -0.318917709089E+03 -0.15897E-01 -0.12591E-01 4718 0.855E-01 0.814E-01 RMM: 3 -0.318913031171E+03 0.46779E-02 -0.15243E-02 5934 0.228E-01 0.166E-01 RMM: 4 -0.318912620397E+03 0.41077E-03 -0.73269E-04 4986 0.606E-02 0.821E-02 RMM: 5 -0.318912584125E+03 0.36271E-04 -0.10201E-04 3763 0.286E-02 0.659E-02 RMM: 6 -0.318912562136E+03 0.21990E-04 -0.27919E-05 2570 0.159E-02 0.497E-02 RMM: 7 -0.318912580777E+03 -0.18642E-04 -0.47759E-05 3163 0.198E-02 3332 T= 6159. E= 0.67501769E+03 F= 0.63735641E+03 E0= 0.66580872E+03 EK= 0.50159E+02 SP= -.13E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320232144708E+03 -0.13196E+01 -0.11395E-01 7272 0.237E+01 0.257E-01 RMM: 2 -0.320250493413E+03 -0.18349E-01 -0.11568E-01 4764 0.845E-01 0.114E+00 RMM: 3 -0.320241561734E+03 0.89317E-02 -0.13997E-02 5541 0.249E-01 0.236E-01 RMM: 4 -0.320241176574E+03 0.38516E-03 -0.13047E-03 4769 0.801E-02 0.137E-01 RMM: 5 -0.320241106330E+03 0.70244E-04 -0.22470E-04 3876 0.375E-02 0.103E-01 RMM: 6 -0.320241039754E+03 0.66576E-04 -0.56192E-05 3296 0.220E-02 0.322E-02 RMM: 7 -0.320241040257E+03 -0.50271E-06 -0.18561E-05 2515 0.134E-02 3333 T= 6358. E= 0.67500826E+03 F= 0.63602795E+03 E0= 0.66451901E+03 EK= 0.51772E+02 SP= -.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321591071416E+03 -0.13500E+01 -0.11806E-01 7472 0.241E+01 0.191E-01 RMM: 2 -0.321607202695E+03 -0.16131E-01 -0.11906E-01 4784 0.838E-01 0.919E-01 RMM: 3 -0.321601491700E+03 0.57110E-02 -0.14334E-02 5833 0.227E-01 0.171E-01 RMM: 4 -0.321601139850E+03 0.35185E-03 -0.78450E-04 4790 0.633E-02 0.102E-01 RMM: 5 -0.321601071101E+03 0.68749E-04 -0.12410E-04 3776 0.301E-02 0.700E-02 RMM: 6 -0.321601043622E+03 0.27479E-04 -0.31744E-05 2712 0.169E-02 0.411E-02 RMM: 7 -0.321601042345E+03 0.12773E-05 -0.22230E-05 2526 0.144E-02 3334 T= 6561. E= 0.67499922E+03 F= 0.63466795E+03 E0= 0.66320335E+03 EK= 0.53433E+02 SP= -.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322852800868E+03 -0.12518E+01 -0.12415E-01 7640 0.245E+01 0.189E-01 RMM: 2 -0.322867927576E+03 -0.15127E-01 -0.11568E-01 4733 0.840E-01 0.871E-01 RMM: 3 -0.322862893993E+03 0.50336E-02 -0.14108E-02 5857 0.227E-01 0.174E-01 RMM: 4 -0.322862523072E+03 0.37092E-03 -0.75643E-04 4791 0.622E-02 0.899E-02 RMM: 5 -0.322862472042E+03 0.51030E-04 -0.11431E-04 3777 0.295E-02 0.609E-02 RMM: 6 -0.322862455153E+03 0.16889E-04 -0.26570E-05 2559 0.152E-02 3335 T= 6754. E= 0.67499181E+03 F= 0.63340653E+03 E0= 0.66198792E+03 EK= 0.55003E+02 SP= -.14E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323905518676E+03 -0.10430E+01 -0.12782E-01 7464 0.249E+01 0.191E-01 RMM: 2 -0.323922757836E+03 -0.17239E-01 -0.13050E-01 4731 0.885E-01 0.908E-01 RMM: 3 -0.323917072694E+03 0.56851E-02 -0.15984E-02 5844 0.237E-01 0.182E-01 RMM: 4 -0.323916657920E+03 0.41477E-03 -0.84260E-04 4877 0.658E-02 0.986E-02 RMM: 5 -0.323916596002E+03 0.61918E-04 -0.12531E-04 3811 0.303E-02 0.694E-02 RMM: 6 -0.323916570159E+03 0.25843E-04 -0.29861E-05 2619 0.164E-02 0.467E-02 RMM: 7 -0.323916568011E+03 0.21474E-05 -0.25471E-05 2532 0.156E-02 3336 T= 6922. E= 0.67498570E+03 F= 0.63235242E+03 E0= 0.66097766E+03 EK= 0.56366E+02 SP= -.14E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324672151198E+03 -0.75558E+00 -0.13075E-01 7512 0.252E+01 0.216E-01 RMM: 2 -0.324691702940E+03 -0.19552E-01 -0.13522E-01 4712 0.910E-01 0.107E+00 RMM: 3 -0.324683891356E+03 0.78116E-02 -0.16180E-02 5713 0.245E-01 0.221E-01 RMM: 4 -0.324683401192E+03 0.49016E-03 -0.10916E-03 4848 0.760E-02 0.906E-02 RMM: 5 -0.324683354538E+03 0.46654E-04 -0.15054E-04 3908 0.298E-02 0.662E-02 RMM: 6 -0.324683331417E+03 0.23121E-04 -0.27575E-05 2595 0.157E-02 0.320E-02 RMM: 7 -0.324683331875E+03 -0.45836E-06 -0.16236E-05 2494 0.126E-02 3337 T= 7053. E= 0.67498219E+03 F= 0.63158566E+03 E0= 0.66024810E+03 EK= 0.57434E+02 SP= -.14E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325106233804E+03 -0.42290E+00 -0.13395E-01 7384 0.253E+01 0.169E-01 RMM: 2 -0.325122609396E+03 -0.16376E-01 -0.13550E-01 4722 0.894E-01 0.799E-01 RMM: 3 -0.325118270146E+03 0.43393E-02 -0.16254E-02 6001 0.226E-01 0.147E-01 RMM: 4 -0.325117903773E+03 0.36637E-03 -0.75234E-04 4793 0.669E-02 0.983E-02 RMM: 5 -0.325117841074E+03 0.62699E-04 -0.10927E-04 3697 0.290E-02 0.662E-02 RMM: 6 -0.325117818773E+03 0.22302E-04 -0.29659E-05 2625 0.164E-02 0.397E-02 RMM: 7 -0.325117818112E+03 0.66110E-06 -0.20140E-05 2518 0.136E-02 3338 T= 7141. E= 0.67498182E+03 F= 0.63115117E+03 E0= 0.65984064E+03 EK= 0.58154E+02 SP= -.14E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325205190455E+03 -0.87372E-01 -0.13405E-01 7680 0.254E+01 0.153E-01 RMM: 2 -0.325217033411E+03 -0.11843E-01 -0.10351E-01 4696 0.793E-01 0.646E-01 RMM: 3 -0.325214262643E+03 0.27708E-02 -0.12898E-02 6009 0.210E-01 0.126E-01 RMM: 4 -0.325214000436E+03 0.26221E-03 -0.55259E-04 4866 0.552E-02 0.882E-02 RMM: 5 -0.325213946465E+03 0.53971E-04 -0.78087E-05 3599 0.271E-02 0.509E-02 RMM: 6 -0.325213936412E+03 0.10052E-04 -0.21946E-05 2526 0.139E-02 3339 T= 7185. E= 0.67498373E+03 F= 0.63105505E+03 E0= 0.65975925E+03 EK= 0.58513E+02 SP= -.15E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324988504917E+03 0.22544E+00 -0.14419E-01 7640 0.255E+01 0.170E-01 RMM: 2 -0.325006141706E+03 -0.17637E-01 -0.13935E-01 4660 0.917E-01 0.850E-01 RMM: 3 -0.325000938671E+03 0.52030E-02 -0.16935E-02 5888 0.240E-01 0.157E-01 RMM: 4 -0.325000556510E+03 0.38216E-03 -0.77590E-04 4953 0.642E-02 0.779E-02 RMM: 5 -0.325000519301E+03 0.37209E-04 -0.10922E-04 3975 0.291E-02 0.628E-02 RMM: 6 -0.325000499876E+03 0.19425E-04 -0.26390E-05 2562 0.159E-02 3340 T= 7188. E= 0.67498822E+03 F= 0.63126849E+03 E0= 0.65997525E+03 EK= 0.58538E+02 SP= -.15E+02 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324528327980E+03 0.47219E+00 -0.13807E-01 7296 0.254E+01 0.267E-01 RMM: 2 -0.324554865024E+03 -0.26537E-01 -0.12239E-01 4679 0.883E-01 0.153E+00 RMM: 3 -0.324538555152E+03 0.16310E-01 -0.16402E-02 5397 0.287E-01 0.256E-01 RMM: 4 -0.324538083100E+03 0.47205E-03 -0.15111E-03 4921 0.788E-02 0.748E-02 RMM: 5 -0.324538064108E+03 0.18992E-04 -0.17590E-04 4456 0.294E-02 3341 T= 7158. E= 0.67499511E+03 F= 0.63173093E+03 E0= 0.66042961E+03 EK= 0.58287E+02 SP= -.15E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323900944499E+03 0.63714E+00 -0.13875E-01 7440 0.253E+01 0.173E-01 RMM: 2 -0.323917794598E+03 -0.16850E-01 -0.12831E-01 4685 0.864E-01 0.863E-01 RMM: 3 -0.323912395637E+03 0.53990E-02 -0.15502E-02 5769 0.239E-01 0.191E-01 RMM: 4 -0.323911980049E+03 0.41559E-03 -0.84070E-04 4800 0.662E-02 0.808E-02 RMM: 5 -0.323911949088E+03 0.30961E-04 -0.10828E-04 4073 0.271E-02 0.666E-02 RMM: 6 -0.323911935112E+03 0.13976E-04 -0.25171E-05 2557 0.150E-02 3342 T= 7103. E= 0.67500280E+03 F= 0.63235705E+03 E0= 0.66104070E+03 EK= 0.57843E+02 SP= -.15E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323209442421E+03 0.70251E+00 -0.13597E-01 7424 0.252E+01 0.345E-01 RMM: 2 -0.323244610758E+03 -0.35168E-01 -0.12916E-01 4640 0.906E-01 0.190E+00 RMM: 3 -0.323219779810E+03 0.24831E-01 -0.19211E-02 5358 0.327E-01 0.352E-01 RMM: 4 -0.323218933905E+03 0.84590E-03 -0.21395E-03 5191 0.923E-02 0.942E-02 RMM: 5 -0.323218967037E+03 -0.33132E-04 -0.26716E-04 3950 0.354E-02 0.123E-01 RMM: 6 -0.323218869327E+03 0.97710E-04 -0.63569E-05 3358 0.228E-02 0.382E-02 RMM: 7 -0.323218865943E+03 0.33834E-05 -0.16248E-05 2514 0.118E-02 3343 T= 7037. E= 0.67501024E+03 F= 0.63305012E+03 E0= 0.66171443E+03 EK= 0.57307E+02 SP= -.15E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322546929955E+03 0.67194E+00 -0.13130E-01 7560 0.250E+01 0.289E-01 RMM: 2 -0.322573683638E+03 -0.26754E-01 -0.10602E-01 4685 0.809E-01 0.161E+00 RMM: 3 -0.322555751512E+03 0.17932E-01 -0.15901E-02 5376 0.295E-01 0.303E-01 RMM: 4 -0.322555136380E+03 0.61513E-03 -0.16244E-03 5064 0.822E-02 0.104E-01 RMM: 5 -0.322555116385E+03 0.19996E-04 -0.22006E-04 3911 0.357E-02 0.106E-01 RMM: 6 -0.322555038291E+03 0.78093E-04 -0.58560E-05 3305 0.226E-02 0.348E-02 RMM: 7 -0.322555036268E+03 0.20234E-05 -0.15387E-05 2509 0.117E-02 3344 T= 6972. E= 0.67501681E+03 F= 0.63371395E+03 E0= 0.66235769E+03 EK= 0.56774E+02 SP= -.15E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321994311341E+03 0.56073E+00 -0.13426E-01 7576 0.249E+01 0.258E-01 RMM: 2 -0.322017566042E+03 -0.23255E-01 -0.12312E-01 4683 0.875E-01 0.138E+00 RMM: 3 -0.322004546465E+03 0.13020E-01 -0.15958E-02 5419 0.279E-01 0.210E-01 RMM: 4 -0.322004249486E+03 0.29698E-03 -0.13909E-03 5093 0.708E-02 0.911E-02 RMM: 5 -0.322004215730E+03 0.33756E-04 -0.15985E-04 3957 0.355E-02 0.802E-02 RMM: 6 -0.322004173290E+03 0.42440E-04 -0.37466E-05 2955 0.183E-02 0.318E-02 RMM: 7 -0.322004175605E+03 -0.23151E-05 -0.14022E-05 2499 0.122E-02 3345 T= 6918. E= 0.67502193E+03 F= 0.63426481E+03 E0= 0.66288964E+03 EK= 0.56334E+02 SP= -.16E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321617335642E+03 0.38684E+00 -0.13115E-01 7544 0.248E+01 0.215E-01 RMM: 2 -0.321635249313E+03 -0.17914E-01 -0.12442E-01 4713 0.865E-01 0.102E+00 RMM: 3 -0.321627948005E+03 0.73013E-02 -0.15281E-02 5631 0.250E-01 0.198E-01 RMM: 4 -0.321627564471E+03 0.38353E-03 -0.97963E-04 4913 0.670E-02 0.946E-02 RMM: 5 -0.321627529858E+03 0.34612E-04 -0.14188E-04 3874 0.321E-02 0.771E-02 RMM: 6 -0.321627491796E+03 0.38063E-04 -0.33306E-05 2835 0.171E-02 0.325E-02 RMM: 7 -0.321627492020E+03 -0.22406E-06 -0.15169E-05 2494 0.127E-02 3346 T= 6882. E= 0.67502506E+03 F= 0.63464150E+03 E0= 0.66324969E+03 EK= 0.56047E+02 SP= -.16E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321449157107E+03 0.17833E+00 -0.12405E-01 7568 0.247E+01 0.185E-01 RMM: 2 -0.321463606020E+03 -0.14449E-01 -0.10579E-01 4827 0.790E-01 0.889E-01 RMM: 3 -0.321458192038E+03 0.54140E-02 -0.12514E-02 5778 0.217E-01 0.139E-01 RMM: 4 -0.321457976840E+03 0.21520E-03 -0.67087E-04 4818 0.574E-02 0.110E-01 RMM: 5 -0.321457904183E+03 0.72657E-04 -0.99014E-05 3651 0.274E-02 0.654E-02 RMM: 6 -0.321457880532E+03 0.23650E-04 -0.27805E-05 2634 0.160E-02 0.343E-02 RMM: 7 -0.321457883483E+03 -0.29511E-05 -0.18699E-05 2518 0.130E-02 3347 T= 6871. E= 0.67502601E+03 F= 0.63481111E+03 E0= 0.66340639E+03 EK= 0.55950E+02 SP= -.16E+02 SK= 0.73E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321492100120E+03 -0.34220E-01 -0.12406E-01 7728 0.247E+01 0.205E-01 RMM: 2 -0.321506704672E+03 -0.14605E-01 -0.10503E-01 4852 0.790E-01 0.917E-01 RMM: 3 -0.321500942347E+03 0.57623E-02 -0.12409E-02 5705 0.223E-01 0.192E-01 RMM: 4 -0.321500605330E+03 0.33702E-03 -0.79862E-04 4728 0.627E-02 0.987E-02 RMM: 5 -0.321500569585E+03 0.35745E-04 -0.12942E-04 3752 0.291E-02 0.866E-02 RMM: 6 -0.321500523165E+03 0.46420E-04 -0.35000E-05 2934 0.181E-02 0.328E-02 RMM: 7 -0.321500524014E+03 -0.84880E-06 -0.14506E-05 2492 0.120E-02 3348 T= 6883. E= 0.67502553E+03 F= 0.63476847E+03 E0= 0.66335436E+03 EK= 0.56048E+02 SP= -.16E+02 SK= 0.42E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321729981180E+03 -0.22946E+00 -0.12643E-01 7784 0.247E+01 0.188E-01 RMM: 2 -0.321744250119E+03 -0.14269E-01 -0.11180E-01 4882 0.809E-01 0.837E-01 RMM: 3 -0.321739468683E+03 0.47814E-02 -0.12726E-02 5889 0.215E-01 0.152E-01 RMM: 4 -0.321739186246E+03 0.28244E-03 -0.67671E-04 4777 0.593E-02 0.109E-01 RMM: 5 -0.321739112487E+03 0.73758E-04 -0.10178E-04 3718 0.267E-02 0.655E-02 RMM: 6 -0.321739090235E+03 0.22252E-04 -0.25340E-05 2565 0.152E-02 0.359E-02 RMM: 7 -0.321739091303E+03 -0.10674E-05 -0.18823E-05 2510 0.132E-02 3349 T= 6917. E= 0.67502384E+03 F= 0.63452990E+03 E0= 0.66311169E+03 EK= 0.56326E+02 SP= -.16E+02 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322133865470E+03 -0.39478E+00 -0.12181E-01 7736 0.248E+01 0.194E-01 RMM: 2 -0.322147480291E+03 -0.13615E-01 -0.10556E-01 4989 0.785E-01 0.839E-01 RMM: 3 -0.322142711354E+03 0.47689E-02 -0.11803E-02 5822 0.209E-01 0.154E-01 RMM: 4 -0.322142453918E+03 0.25744E-03 -0.67886E-04 4746 0.582E-02 0.114E-01 RMM: 5 -0.322142384660E+03 0.69258E-04 -0.11280E-04 3699 0.275E-02 0.816E-02 RMM: 6 -0.322142343984E+03 0.40676E-04 -0.33000E-05 2861 0.176E-02 0.352E-02 RMM: 7 -0.322142342963E+03 0.10216E-05 -0.18783E-05 2510 0.131E-02 3350 T= 6969. E= 0.67502147E+03 F= 0.63412665E+03 E0= 0.66271026E+03 EK= 0.56751E+02 SP= -.16E+02 SK= 0.38E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322660699686E+03 -0.51836E+00 -0.12383E-01 7672 0.249E+01 0.201E-01 RMM: 2 -0.322676524137E+03 -0.15824E-01 -0.12134E-01 4943 0.834E-01 0.909E-01 RMM: 3 -0.322670931091E+03 0.55930E-02 -0.13698E-02 5894 0.218E-01 0.166E-01 RMM: 4 -0.322670589134E+03 0.34196E-03 -0.75305E-04 4800 0.625E-02 0.107E-01 RMM: 5 -0.322670514374E+03 0.74760E-04 -0.11518E-04 3838 0.270E-02 0.697E-02 RMM: 6 -0.322670489588E+03 0.24786E-04 -0.27420E-05 2591 0.158E-02 0.383E-02 RMM: 7 -0.322670489285E+03 0.30351E-06 -0.18880E-05 2517 0.131E-02 3351 T= 7034. E= 0.67501879E+03 F= 0.63359850E+03 E0= 0.66219184E+03 EK= 0.57282E+02 SP= -.16E+02 SK= 0.61E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.323269214023E+03 -0.59872E+00 -0.12861E-01 7632 0.250E+01 0.167E-01 RMM: 2 -0.323284083548E+03 -0.14870E-01 -0.13356E-01 4839 0.871E-01 0.670E-01 RMM: 3 -0.323280900348E+03 0.31832E-02 -0.15177E-02 6074 0.218E-01 0.132E-01 RMM: 4 -0.323280608995E+03 0.29135E-03 -0.66830E-04 4730 0.633E-02 0.124E-01 RMM: 5 -0.323280504859E+03 0.10414E-03 -0.10900E-04 3685 0.284E-02 0.670E-02 RMM: 6 -0.323280482286E+03 0.22573E-04 -0.29219E-05 2624 0.162E-02 0.395E-02 RMM: 7 -0.323280476430E+03 0.58562E-05 -0.25331E-05 2533 0.152E-02 3352 T= 7107. E= 0.67501603E+03 F= 0.63298851E+03 E0= 0.66160028E+03 EK= 0.57872E+02 SP= -.16E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323920026002E+03 -0.63954E+00 -0.12371E-01 7632 0.251E+01 0.183E-01 RMM: 2 -0.323933807518E+03 -0.13782E-01 -0.11279E-01 4957 0.806E-01 0.791E-01 RMM: 3 -0.323929704360E+03 0.41032E-02 -0.12850E-02 5983 0.206E-01 0.154E-01 RMM: 4 -0.323929396390E+03 0.30797E-03 -0.65461E-04 4674 0.612E-02 0.115E-01 RMM: 5 -0.323929305216E+03 0.91175E-04 -0.11005E-04 3672 0.272E-02 0.690E-02 RMM: 6 -0.323929281855E+03 0.23360E-04 -0.27697E-05 2639 0.160E-02 0.393E-02 RMM: 7 -0.323929280822E+03 0.10338E-05 -0.19690E-05 2512 0.133E-02 3353 T= 7181. E= 0.67501292E+03 F= 0.63233971E+03 E0= 0.66097948E+03 EK= 0.58475E+02 SP= -.16E+02 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324562700875E+03 -0.63342E+00 -0.12327E-01 7672 0.252E+01 0.167E-01 RMM: 2 -0.324574333157E+03 -0.11632E-01 -0.10260E-01 5025 0.768E-01 0.657E-01 RMM: 3 -0.324571510897E+03 0.28223E-02 -0.11244E-02 5961 0.193E-01 0.131E-01 RMM: 4 -0.324571300862E+03 0.21004E-03 -0.53513E-04 4614 0.548E-02 0.124E-01 RMM: 5 -0.324571191095E+03 0.10977E-03 -0.95262E-05 3610 0.270E-02 0.580E-02 RMM: 6 -0.324571176984E+03 0.14111E-04 -0.24792E-05 2551 0.148E-02 3354 T= 7250. E= 0.67500947E+03 F= 0.63169781E+03 E0= 0.66037387E+03 EK= 0.59041E+02 SP= -.16E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325146064566E+03 -0.57487E+00 -0.12744E-01 7552 0.253E+01 0.173E-01 RMM: 2 -0.325159690202E+03 -0.13626E-01 -0.10355E-01 5005 0.767E-01 0.815E-01 RMM: 3 -0.325155009079E+03 0.46811E-02 -0.11449E-02 5745 0.205E-01 0.133E-01 RMM: 4 -0.325154829991E+03 0.17909E-03 -0.60434E-04 4685 0.551E-02 0.115E-01 RMM: 5 -0.325154727238E+03 0.10275E-03 -0.94351E-05 3719 0.259E-02 0.534E-02 RMM: 6 -0.325154720193E+03 0.70448E-05 -0.24303E-05 2549 0.143E-02 3355 T= 7309. E= 0.67500644E+03 F= 0.63111427E+03 E0= 0.65983381E+03 EK= 0.59516E+02 SP= -.16E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325614553165E+03 -0.45983E+00 -0.13380E-01 7544 0.254E+01 0.269E-01 RMM: 2 -0.325638789820E+03 -0.24237E-01 -0.12053E-01 4852 0.869E-01 0.146E+00 RMM: 3 -0.325624531903E+03 0.14258E-01 -0.15439E-02 5431 0.276E-01 0.248E-01 RMM: 4 -0.325624079683E+03 0.45222E-03 -0.14133E-03 4822 0.789E-02 0.976E-02 RMM: 5 -0.325624050447E+03 0.29236E-04 -0.18686E-04 3930 0.332E-02 0.947E-02 RMM: 6 -0.325623994940E+03 0.55507E-04 -0.39989E-05 2964 0.190E-02 0.408E-02 RMM: 7 -0.325623999823E+03 -0.48833E-05 -0.21991E-05 2528 0.146E-02 3356 T= 7348. E= 0.67500298E+03 F= 0.63064499E+03 E0= 0.65941152E+03 EK= 0.59842E+02 SP= -.16E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325911254030E+03 -0.28726E+00 -0.13350E-01 7448 0.255E+01 0.226E-01 RMM: 2 -0.325929780660E+03 -0.18527E-01 -0.11619E-01 4911 0.834E-01 0.113E+00 RMM: 3 -0.325921240417E+03 0.85402E-02 -0.14254E-02 5552 0.248E-01 0.233E-01 RMM: 4 -0.325920845138E+03 0.39528E-03 -0.11129E-03 4743 0.732E-02 0.118E-01 RMM: 5 -0.325920782118E+03 0.63020E-04 -0.16583E-04 3884 0.335E-02 0.920E-02 RMM: 6 -0.325920726138E+03 0.55980E-04 -0.40129E-05 2997 0.189E-02 0.393E-02 RMM: 7 -0.325920725674E+03 0.46406E-06 -0.22837E-05 2523 0.150E-02 3357 T= 7363. E= 0.67499997E+03 F= 0.63034826E+03 E0= 0.65916138E+03 EK= 0.59957E+02 SP= -.15E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325982428437E+03 -0.61702E-01 -0.13505E-01 7296 0.256E+01 0.177E-01 RMM: 2 -0.325997934938E+03 -0.15507E-01 -0.12057E-01 4878 0.836E-01 0.851E-01 RMM: 3 -0.325993026210E+03 0.49087E-02 -0.14244E-02 5822 0.226E-01 0.166E-01 RMM: 4 -0.325992709769E+03 0.31644E-03 -0.72118E-04 4713 0.622E-02 0.102E-01 RMM: 5 -0.325992645232E+03 0.64537E-04 -0.11303E-04 3787 0.293E-02 0.729E-02 RMM: 6 -0.325992617386E+03 0.27846E-04 -0.29378E-05 2643 0.165E-02 0.442E-02 RMM: 7 -0.325992619569E+03 -0.21828E-05 -0.23868E-05 2539 0.148E-02 3358 T= 7345. E= 0.67499771E+03 F= 0.63027637E+03 E0= 0.65913189E+03 EK= 0.59812E+02 SP= -.15E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325789714619E+03 0.20290E+00 -0.13177E-01 7600 0.256E+01 0.182E-01 RMM: 2 -0.325804518080E+03 -0.14803E-01 -0.12001E-01 4793 0.847E-01 0.792E-01 RMM: 3 -0.325800300271E+03 0.42178E-02 -0.15007E-02 5984 0.230E-01 0.155E-01 RMM: 4 -0.325799988582E+03 0.31169E-03 -0.70422E-04 4716 0.634E-02 0.119E-01 RMM: 5 -0.325799899519E+03 0.89063E-04 -0.11531E-04 3732 0.314E-02 0.648E-02 RMM: 6 -0.325799879313E+03 0.20205E-04 -0.29331E-05 2611 0.162E-02 0.426E-02 RMM: 7 -0.325799879271E+03 0.42208E-07 -0.21305E-05 2528 0.141E-02 3359 T= 7290. E= 0.67499666E+03 F= 0.63046911E+03 E0= 0.65935846E+03 EK= 0.59368E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325311818447E+03 0.48806E+00 -0.13967E-01 7672 0.256E+01 0.157E-01 RMM: 2 -0.325326629201E+03 -0.14811E-01 -0.13251E-01 4755 0.880E-01 0.649E-01 RMM: 3 -0.325323610273E+03 0.30189E-02 -0.15861E-02 6009 0.234E-01 0.160E-01 RMM: 4 -0.325323260068E+03 0.35021E-03 -0.65642E-04 4772 0.615E-02 0.994E-02 RMM: 5 -0.325323196751E+03 0.63317E-04 -0.10076E-04 3722 0.296E-02 0.678E-02 RMM: 6 -0.325323174992E+03 0.21759E-04 -0.27741E-05 2571 0.162E-02 0.436E-02 RMM: 7 -0.325323174963E+03 0.29608E-07 -0.25267E-05 2549 0.149E-02 3360 T= 7197. E= 0.67499715E+03 F= 0.63094581E+03 E0= 0.65985775E+03 EK= 0.58610E+02 SP= -.15E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324557582380E+03 0.76559E+00 -0.13090E-01 7680 0.255E+01 0.175E-01 RMM: 2 -0.324570545744E+03 -0.12963E-01 -0.10347E-01 4784 0.787E-01 0.764E-01 RMM: 3 -0.324566447836E+03 0.40979E-02 -0.12492E-02 5794 0.224E-01 0.160E-01 RMM: 4 -0.324566212214E+03 0.23562E-03 -0.63613E-04 4758 0.580E-02 0.103E-01 RMM: 5 -0.324566153923E+03 0.58291E-04 -0.98788E-05 3664 0.285E-02 0.717E-02 RMM: 6 -0.324566126492E+03 0.27431E-04 -0.29426E-05 2641 0.166E-02 0.408E-02 RMM: 7 -0.324566129079E+03 -0.25870E-05 -0.21992E-05 2528 0.144E-02 3361 T= 7067. E= 0.67499887E+03 F= 0.63170286E+03 E0= 0.66062403E+03 EK= 0.57548E+02 SP= -.14E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323543179009E+03 0.10229E+01 -0.13130E-01 7776 0.253E+01 0.188E-01 RMM: 2 -0.323557896738E+03 -0.14718E-01 -0.11411E-01 4765 0.829E-01 0.844E-01 RMM: 3 -0.323553007546E+03 0.48892E-02 -0.13886E-02 5760 0.236E-01 0.185E-01 RMM: 4 -0.323552684348E+03 0.32320E-03 -0.74456E-04 4828 0.617E-02 0.938E-02 RMM: 5 -0.323552640685E+03 0.43663E-04 -0.11327E-04 3782 0.296E-02 0.756E-02 RMM: 6 -0.323552606200E+03 0.34485E-04 -0.31116E-05 2752 0.172E-02 0.388E-02 RMM: 7 -0.323552607405E+03 -0.12049E-05 -0.22774E-05 2513 0.148E-02 3362 T= 6903. E= 0.67500268E+03 F= 0.63271638E+03 E0= 0.66163359E+03 EK= 0.56215E+02 SP= -.14E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322323017811E+03 0.12296E+01 -0.12094E-01 7768 0.250E+01 0.201E-01 RMM: 2 -0.322336966838E+03 -0.13949E-01 -0.91800E-02 4840 0.747E-01 0.966E-01 RMM: 3 -0.322330681224E+03 0.62856E-02 -0.11020E-02 5631 0.221E-01 0.196E-01 RMM: 4 -0.322330399118E+03 0.28211E-03 -0.74381E-04 4687 0.611E-02 0.951E-02 RMM: 5 -0.322330357876E+03 0.41241E-04 -0.11034E-04 3687 0.281E-02 0.805E-02 RMM: 6 -0.322330318850E+03 0.39026E-04 -0.33084E-05 2865 0.178E-02 0.376E-02 RMM: 7 -0.322330321274E+03 -0.24236E-05 -0.18606E-05 2509 0.135E-02 3363 T= 6713. E= 0.67500818E+03 F= 0.63393867E+03 E0= 0.66284021E+03 EK= 0.54667E+02 SP= -.14E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320961243685E+03 0.13691E+01 -0.11541E-01 7456 0.247E+01 0.219E-01 RMM: 2 -0.320975337522E+03 -0.14094E-01 -0.87011E-02 4969 0.719E-01 0.103E+00 RMM: 3 -0.320968314988E+03 0.70225E-02 -0.10173E-02 5532 0.218E-01 0.232E-01 RMM: 4 -0.320967945212E+03 0.36978E-03 -0.81081E-04 4670 0.625E-02 0.905E-02 RMM: 5 -0.320967912687E+03 0.32526E-04 -0.12334E-04 3804 0.295E-02 0.833E-02 RMM: 6 -0.320967869225E+03 0.43461E-04 -0.32492E-05 2906 0.175E-02 0.384E-02 RMM: 7 -0.320967870456E+03 -0.12306E-05 -0.17161E-05 2505 0.131E-02 3364 T= 6506. E= 0.67501502E+03 F= 0.63530112E+03 E0= 0.66417759E+03 EK= 0.52981E+02 SP= -.13E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319543600153E+03 0.14243E+01 -0.11903E-01 7488 0.242E+01 0.236E-01 RMM: 2 -0.319560639348E+03 -0.17039E-01 -0.90292E-02 4967 0.733E-01 0.119E+00 RMM: 3 -0.319550857670E+03 0.97817E-02 -0.10823E-02 5474 0.227E-01 0.220E-01 RMM: 4 -0.319550534955E+03 0.32271E-03 -0.92384E-04 4677 0.656E-02 0.103E-01 RMM: 5 -0.319550498121E+03 0.36835E-04 -0.14041E-04 3868 0.310E-02 0.937E-02 RMM: 6 -0.319550443043E+03 0.55078E-04 -0.42257E-05 3097 0.195E-02 0.383E-02 RMM: 7 -0.319550446231E+03 -0.31880E-05 -0.17368E-05 2512 0.130E-02 3365 T= 6294. E= 0.67502272E+03 F= 0.63671854E+03 E0= 0.66556254E+03 EK= 0.51252E+02 SP= -.13E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318167853299E+03 0.13826E+01 -0.11668E-01 7432 0.238E+01 0.243E-01 RMM: 2 -0.318183719442E+03 -0.15866E-01 -0.90423E-02 5022 0.739E-01 0.113E+00 RMM: 3 -0.318175094131E+03 0.86253E-02 -0.10965E-02 5475 0.229E-01 0.244E-01 RMM: 4 -0.318174682192E+03 0.41194E-03 -0.96946E-04 4693 0.669E-02 0.101E-01 RMM: 5 -0.318174657353E+03 0.24838E-04 -0.15426E-04 3874 0.325E-02 0.973E-02 RMM: 6 -0.318174595847E+03 0.61506E-04 -0.42735E-05 3114 0.196E-02 0.374E-02 RMM: 7 -0.318174598251E+03 -0.24045E-05 -0.18327E-05 2511 0.134E-02 3366 T= 6089. E= 0.67503064E+03 F= 0.63809439E+03 E0= 0.66690115E+03 EK= 0.49582E+02 SP= -.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316930972690E+03 0.12436E+01 -0.11174E-01 7456 0.233E+01 0.240E-01 RMM: 2 -0.316948688691E+03 -0.17716E-01 -0.85908E-02 5005 0.726E-01 0.126E+00 RMM: 3 -0.316937787026E+03 0.10902E-01 -0.10531E-02 5440 0.226E-01 0.223E-01 RMM: 4 -0.316937456268E+03 0.33076E-03 -0.96769E-04 4667 0.666E-02 0.994E-02 RMM: 5 -0.316937429731E+03 0.26537E-04 -0.14884E-04 3878 0.316E-02 0.955E-02 RMM: 6 -0.316937371834E+03 0.57897E-04 -0.44258E-05 3131 0.197E-02 0.375E-02 RMM: 7 -0.316937374674E+03 -0.28406E-05 -0.16270E-05 2505 0.126E-02 3367 T= 5903. E= 0.67503815E+03 F= 0.63933161E+03 E0= 0.66809784E+03 EK= 0.48074E+02 SP= -.13E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315917531723E+03 0.10198E+01 -0.10277E-01 7480 0.229E+01 0.211E-01 RMM: 2 -0.315930550494E+03 -0.13019E-01 -0.77832E-02 4990 0.684E-01 0.998E-01 RMM: 3 -0.315923857809E+03 0.66927E-02 -0.93899E-03 5514 0.208E-01 0.210E-01 RMM: 4 -0.315923549896E+03 0.30791E-03 -0.77153E-04 4669 0.592E-02 0.870E-02 RMM: 5 -0.315923524687E+03 0.25208E-04 -0.11738E-04 3802 0.286E-02 0.842E-02 RMM: 6 -0.315923480867E+03 0.43820E-04 -0.31781E-05 2897 0.172E-02 0.349E-02 RMM: 7 -0.315923483391E+03 -0.25240E-05 -0.16607E-05 2499 0.126E-02 3368 T= 5749. E= 0.67504361E+03 F= 0.64034551E+03 E0= 0.66906939E+03 EK= 0.46816E+02 SP= -.12E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315186362175E+03 0.73712E+00 -0.10025E-01 7528 0.225E+01 0.194E-01 RMM: 2 -0.315200028610E+03 -0.13666E-01 -0.73463E-02 4994 0.655E-01 0.105E+00 RMM: 3 -0.315192329888E+03 0.76987E-02 -0.85858E-03 5482 0.195E-01 0.177E-01 RMM: 4 -0.315192095789E+03 0.23410E-03 -0.69527E-04 4657 0.566E-02 0.849E-02 RMM: 5 -0.315192073887E+03 0.21902E-04 -0.10594E-04 3762 0.269E-02 0.800E-02 RMM: 6 -0.315192033842E+03 0.40045E-04 -0.30153E-05 2850 0.168E-02 0.335E-02 RMM: 7 -0.315192034918E+03 -0.10756E-05 -0.12363E-05 2488 0.110E-02 3369 T= 5633. E= 0.67504625E+03 F= 0.64107695E+03 E0= 0.66975802E+03 EK= 0.45869E+02 SP= -.12E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314761546632E+03 0.43049E+00 -0.94676E-02 7552 0.222E+01 0.160E-01 RMM: 2 -0.314770935070E+03 -0.93884E-02 -0.68960E-02 5026 0.614E-01 0.727E-01 RMM: 3 -0.314767244563E+03 0.36905E-02 -0.77825E-03 5639 0.172E-01 0.126E-01 RMM: 4 -0.314767108530E+03 0.13603E-03 -0.49001E-04 4603 0.464E-02 0.855E-02 RMM: 5 -0.314767067136E+03 0.41394E-04 -0.66875E-05 3410 0.224E-02 0.657E-02 RMM: 6 -0.314767043084E+03 0.24052E-04 -0.25035E-05 2561 0.156E-02 0.308E-02 RMM: 7 -0.314767044043E+03 -0.95884E-06 -0.17059E-05 2496 0.124E-02 3370 T= 5557. E= 0.67504601E+03 F= 0.64150195E+03 E0= 0.67014069E+03 EK= 0.45257E+02 SP= -.12E+02 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314632773159E+03 0.13427E+00 -0.95357E-02 7488 0.220E+01 0.140E-01 RMM: 2 -0.314642260269E+03 -0.94871E-02 -0.74287E-02 4967 0.633E-01 0.666E-01 RMM: 3 -0.314639050506E+03 0.32098E-02 -0.81799E-03 5861 0.165E-01 0.113E-01 RMM: 4 -0.314638894076E+03 0.15643E-03 -0.42350E-04 4393 0.477E-02 0.944E-02 RMM: 5 -0.314638844667E+03 0.49409E-04 -0.66712E-05 3371 0.234E-02 0.609E-02 RMM: 6 -0.314638824284E+03 0.20383E-04 -0.22628E-05 2544 0.146E-02 0.291E-02 RMM: 7 -0.314638826022E+03 -0.17378E-05 -0.11723E-05 2477 0.106E-02 3371 T= 5523. E= 0.67504421E+03 F= 0.64163016E+03 E0= 0.67022853E+03 EK= 0.44973E+02 SP= -.12E+02 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314773069671E+03 -0.13425E+00 -0.89102E-02 7448 0.220E+01 0.169E-01 RMM: 2 -0.314782538799E+03 -0.94691E-02 -0.65101E-02 5020 0.610E-01 0.777E-01 RMM: 3 -0.314778386470E+03 0.41523E-02 -0.75495E-03 5805 0.168E-01 0.138E-01 RMM: 4 -0.314778202660E+03 0.18381E-03 -0.47918E-04 4443 0.489E-02 0.926E-02 RMM: 5 -0.314778151597E+03 0.51063E-04 -0.73324E-05 3513 0.233E-02 0.564E-02 RMM: 6 -0.314778134677E+03 0.16920E-04 -0.21312E-05 2551 0.141E-02 3372 T= 5524. E= 0.67504157E+03 F= 0.64149085E+03 E0= 0.67005170E+03 EK= 0.44988E+02 SP= -.11E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315143086206E+03 -0.36493E+00 -0.88332E-02 7408 0.220E+01 0.198E-01 RMM: 2 -0.315156919119E+03 -0.13833E-01 -0.62909E-02 5162 0.597E-01 0.114E+00 RMM: 3 -0.315148044205E+03 0.88749E-02 -0.71398E-03 5424 0.184E-01 0.169E-01 RMM: 4 -0.315147862998E+03 0.18121E-03 -0.69489E-04 4686 0.533E-02 0.831E-02 RMM: 5 -0.315147822897E+03 0.40101E-04 -0.88993E-05 3732 0.232E-02 0.661E-02 RMM: 6 -0.315147799547E+03 0.23350E-04 -0.21974E-05 2570 0.142E-02 0.407E-02 RMM: 7 -0.315147807530E+03 -0.79832E-05 -0.21765E-05 2532 0.140E-02 3373 T= 5559. E= 0.67503917E+03 F= 0.64112118E+03 E0= 0.66964927E+03 EK= 0.45265E+02 SP= -.11E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315709868024E+03 -0.56207E+00 -0.89289E-02 7376 0.221E+01 0.222E-01 RMM: 2 -0.315722293456E+03 -0.12425E-01 -0.66049E-02 5149 0.629E-01 0.104E+00 RMM: 3 -0.315714906305E+03 0.73872E-02 -0.77704E-03 5446 0.192E-01 0.223E-01 RMM: 4 -0.315714581162E+03 0.32514E-03 -0.86802E-04 4640 0.643E-02 0.923E-02 RMM: 5 -0.315714570153E+03 0.11009E-04 -0.13020E-04 3825 0.269E-02 3374 T= 5621. E= 0.67503798E+03 F= 0.64055442E+03 E0= 0.66905490E+03 EK= 0.45771E+02 SP= -.11E+02 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316444823536E+03 -0.73024E+00 -0.89857E-02 7408 0.222E+01 0.165E-01 RMM: 2 -0.316456073800E+03 -0.11250E-01 -0.67288E-02 5248 0.607E-01 0.912E-01 RMM: 3 -0.316450390191E+03 0.56836E-02 -0.68144E-03 5592 0.165E-01 0.156E-01 RMM: 4 -0.316450201705E+03 0.18849E-03 -0.52280E-04 4450 0.487E-02 0.849E-02 RMM: 5 -0.316450147785E+03 0.53920E-04 -0.78469E-05 3626 0.222E-02 0.642E-02 RMM: 6 -0.316450130211E+03 0.17574E-04 -0.26394E-05 2648 0.155E-02 3375 T= 5707. E= 0.67503752E+03 F= 0.63981886E+03 E0= 0.66829903E+03 EK= 0.46475E+02 SP= -.11E+02 SK= 0.87E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.317327995861E+03 -0.87785E+00 -0.91691E-02 7480 0.224E+01 0.277E-01 RMM: 2 -0.317351662868E+03 -0.23667E-01 -0.73884E-02 5097 0.665E-01 0.162E+00 RMM: 3 -0.317333375289E+03 0.18288E-01 -0.10960E-02 5363 0.248E-01 0.213E-01 RMM: 4 -0.317333086120E+03 0.28917E-03 -0.12340E-03 4897 0.656E-02 0.824E-02 RMM: 5 -0.317333057677E+03 0.28443E-04 -0.12667E-04 3807 0.287E-02 0.799E-02 RMM: 6 -0.317333018289E+03 0.39388E-04 -0.29665E-05 2833 0.166E-02 0.339E-02 RMM: 7 -0.317333023011E+03 -0.47220E-05 -0.16199E-05 2508 0.128E-02 3376 T= 5815. E= 0.67503612E+03 F= 0.63893597E+03 E0= 0.66740279E+03 EK= 0.47352E+02 SP= -.11E+02 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.318341122131E+03 -0.10081E+01 -0.94957E-02 7456 0.227E+01 0.284E-01 RMM: 2 -0.318362168468E+03 -0.21046E-01 -0.80389E-02 5130 0.704E-01 0.149E+00 RMM: 3 -0.318347084099E+03 0.15084E-01 -0.10849E-02 5368 0.244E-01 0.281E-01 RMM: 4 -0.318346534624E+03 0.54948E-03 -0.13428E-03 4662 0.774E-02 0.978E-02 RMM: 5 -0.318346534001E+03 0.62299E-06 -0.19813E-04 3883 0.352E-02 3377 T= 5941. E= 0.67503417E+03 F= 0.63792246E+03 E0= 0.66638263E+03 EK= 0.48382E+02 SP= -.11E+02 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319465397261E+03 -0.11189E+01 -0.10095E-01 7512 0.230E+01 0.172E-01 RMM: 2 -0.319478942786E+03 -0.13546E-01 -0.81572E-02 5062 0.675E-01 0.972E-01 RMM: 3 -0.319472392095E+03 0.65507E-02 -0.91405E-03 5578 0.191E-01 0.163E-01 RMM: 4 -0.319472163576E+03 0.22852E-03 -0.63671E-04 4821 0.516E-02 0.812E-02 RMM: 5 -0.319472114810E+03 0.48765E-04 -0.88312E-05 3772 0.245E-02 0.620E-02 RMM: 6 -0.319472100089E+03 0.14721E-04 -0.27808E-05 2592 0.154E-02 3378 T= 6084. E= 0.67503236E+03 F= 0.63679689E+03 E0= 0.66525717E+03 EK= 0.49545E+02 SP= -.11E+02 SK= 0.50E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320682038339E+03 -0.12099E+01 -0.10546E-01 7568 0.234E+01 0.234E-01 RMM: 2 -0.320699855720E+03 -0.17817E-01 -0.89119E-02 4909 0.724E-01 0.125E+00 RMM: 3 -0.320689321103E+03 0.10535E-01 -0.11277E-02 5445 0.231E-01 0.212E-01 RMM: 4 -0.320689019549E+03 0.30155E-03 -0.10503E-03 4705 0.656E-02 0.963E-02 RMM: 5 -0.320688979872E+03 0.39677E-04 -0.14424E-04 3868 0.304E-02 0.809E-02 RMM: 6 -0.320688938983E+03 0.40889E-04 -0.32199E-05 2845 0.172E-02 0.354E-02 RMM: 7 -0.320688942221E+03 -0.32385E-05 -0.17577E-05 2499 0.133E-02 3379 T= 6240. E= 0.67503050E+03 F= 0.63558005E+03 E0= 0.66404574E+03 EK= 0.50815E+02 SP= -.11E+02 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321968314011E+03 -0.12794E+01 -0.10566E-01 7432 0.237E+01 0.317E-01 RMM: 2 -0.321995722231E+03 -0.27408E-01 -0.96809E-02 5016 0.780E-01 0.175E+00 RMM: 3 -0.321975450485E+03 0.20272E-01 -0.13960E-02 5378 0.279E-01 0.293E-01 RMM: 4 -0.321974859136E+03 0.59135E-03 -0.15804E-03 4779 0.818E-02 0.104E-01 RMM: 5 -0.321974849339E+03 0.97964E-05 -0.22191E-04 3883 0.366E-02 0.115E-01 RMM: 6 -0.321974760617E+03 0.88722E-04 -0.58873E-05 3326 0.224E-02 0.349E-02 RMM: 7 -0.321974759232E+03 0.13849E-05 -0.17651E-05 2521 0.126E-02 3380 T= 6406. E= 0.67502830E+03 F= 0.63429423E+03 E0= 0.66276926E+03 EK= 0.52165E+02 SP= -.11E+02 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323298736384E+03 -0.13240E+01 -0.11104E-01 7488 0.241E+01 0.183E-01 RMM: 2 -0.323311548203E+03 -0.12812E-01 -0.83792E-02 4997 0.702E-01 0.916E-01 RMM: 3 -0.323305804969E+03 0.57432E-02 -0.96564E-03 5622 0.197E-01 0.166E-01 RMM: 4 -0.323305578200E+03 0.22677E-03 -0.66657E-04 4697 0.561E-02 0.970E-02 RMM: 5 -0.323305521791E+03 0.56409E-04 -0.10463E-04 3741 0.269E-02 0.684E-02 RMM: 6 -0.323305494440E+03 0.27350E-04 -0.26832E-05 2614 0.157E-02 0.391E-02 RMM: 7 -0.323305495617E+03 -0.11767E-05 -0.19396E-05 2515 0.135E-02 3381 T= 6578. E= 0.67502568E+03 F= 0.63296349E+03 E0= 0.66145095E+03 EK= 0.53564E+02 SP= -.12E+02 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324651653201E+03 -0.13462E+01 -0.11536E-01 7672 0.245E+01 0.188E-01 RMM: 2 -0.324663531338E+03 -0.11878E-01 -0.88903E-02 4973 0.734E-01 0.818E-01 RMM: 3 -0.324659121408E+03 0.44099E-02 -0.10352E-02 5743 0.199E-01 0.170E-01 RMM: 4 -0.324658859488E+03 0.26192E-03 -0.67043E-04 4678 0.581E-02 0.104E-01 RMM: 5 -0.324658799786E+03 0.59702E-04 -0.11150E-04 3698 0.276E-02 0.773E-02 RMM: 6 -0.324658765304E+03 0.34482E-04 -0.28986E-05 2741 0.167E-02 0.339E-02 RMM: 7 -0.324658765853E+03 -0.54916E-06 -0.15360E-05 2494 0.119E-02 3382 T= 6752. E= 0.67502339E+03 F= 0.63161022E+03 E0= 0.66011114E+03 EK= 0.54985E+02 SP= -.12E+02 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326008436115E+03 -0.13497E+01 -0.11931E-01 7496 0.248E+01 0.162E-01 RMM: 2 -0.326020173624E+03 -0.11738E-01 -0.10137E-01 4888 0.776E-01 0.665E-01 RMM: 3 -0.326017337610E+03 0.28360E-02 -0.11990E-02 6000 0.195E-01 0.130E-01 RMM: 4 -0.326017101516E+03 0.23609E-03 -0.60016E-04 4583 0.606E-02 0.119E-01 RMM: 5 -0.326017001015E+03 0.10050E-03 -0.10001E-04 3620 0.285E-02 0.572E-02 RMM: 6 -0.326016985928E+03 0.15087E-04 -0.24468E-05 2554 0.145E-02 3383 T= 6926. E= 0.67502148E+03 F= 0.63025200E+03 E0= 0.65876658E+03 EK= 0.56404E+02 SP= -.12E+02 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327354720792E+03 -0.13377E+01 -0.13000E-01 7536 0.251E+01 0.190E-01 RMM: 2 -0.327370809234E+03 -0.16088E-01 -0.10839E-01 4837 0.806E-01 0.984E-01 RMM: 3 -0.327364150281E+03 0.66590E-02 -0.13015E-02 5676 0.224E-01 0.166E-01 RMM: 4 -0.327363880199E+03 0.27008E-03 -0.74706E-04 4857 0.591E-02 0.874E-02 RMM: 5 -0.327363820724E+03 0.59475E-04 -0.10636E-04 3877 0.281E-02 0.612E-02 RMM: 6 -0.327363804716E+03 0.16008E-04 -0.25756E-05 2560 0.150E-02 3384 T= 7097. E= 0.67501961E+03 F= 0.62890518E+03 E0= 0.65743163E+03 EK= 0.57794E+02 SP= -.12E+02 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328671256373E+03 -0.13074E+01 -0.13135E-01 7448 0.254E+01 0.279E-01 RMM: 2 -0.328698424444E+03 -0.27168E-01 -0.11208E-01 4797 0.849E-01 0.163E+00 RMM: 3 -0.328680333230E+03 0.18091E-01 -0.15231E-02 5379 0.282E-01 0.223E-01 RMM: 4 -0.328679998902E+03 0.33433E-03 -0.14555E-03 4827 0.766E-02 0.957E-02 RMM: 5 -0.328679942791E+03 0.56111E-04 -0.17714E-04 4024 0.319E-02 0.809E-02 RMM: 6 -0.328679907262E+03 0.35529E-04 -0.36366E-05 2866 0.181E-02 0.434E-02 RMM: 7 -0.328679912525E+03 -0.52632E-05 -0.24064E-05 2530 0.154E-02 3385 T= 7261. E= 0.67501718E+03 F= 0.62758908E+03 E0= 0.65612453E+03 EK= 0.59130E+02 SP= -.12E+02 SK= 0.54E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.329933010427E+03 -0.12531E+01 -0.13302E-01 7648 0.256E+01 0.231E-01 RMM: 2 -0.329950371182E+03 -0.17361E-01 -0.10803E-01 4797 0.830E-01 0.109E+00 RMM: 3 -0.329942187892E+03 0.81833E-02 -0.13433E-02 5467 0.248E-01 0.235E-01 RMM: 4 -0.329941810047E+03 0.37785E-03 -0.12031E-03 4800 0.771E-02 0.104E-01 RMM: 5 -0.329941743134E+03 0.66913E-04 -0.17405E-04 3897 0.327E-02 0.721E-02 RMM: 6 -0.329941712989E+03 0.30145E-04 -0.30698E-05 2716 0.163E-02 0.331E-02 RMM: 7 -0.329941713948E+03 -0.95871E-06 -0.19136E-05 2492 0.140E-02 3386 T= 7414. E= 0.67501443E+03 F= 0.62632728E+03 E0= 0.65486724E+03 EK= 0.60378E+02 SP= -.12E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331109246104E+03 -0.11675E+01 -0.13996E-01 7648 0.258E+01 0.175E-01 RMM: 2 -0.331123390252E+03 -0.14144E-01 -0.11836E-01 4767 0.856E-01 0.752E-01 RMM: 3 -0.331119664073E+03 0.37262E-02 -0.14286E-02 5962 0.222E-01 0.137E-01 RMM: 4 -0.331119386934E+03 0.27714E-03 -0.65719E-04 4753 0.627E-02 0.112E-01 RMM: 5 -0.331119299581E+03 0.87353E-04 -0.11095E-04 3747 0.306E-02 0.675E-02 RMM: 6 -0.331119276226E+03 0.23355E-04 -0.29424E-05 2605 0.163E-02 0.403E-02 RMM: 7 -0.331119265582E+03 0.10644E-04 -0.27714E-05 2518 0.159E-02 3387 T= 7552. E= 0.67501106E+03 F= 0.62514972E+03 E0= 0.65368881E+03 EK= 0.61501E+02 SP= -.12E+02 SK= 0.84E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332166305999E+03 -0.10470E+01 -0.14635E-01 7656 0.260E+01 0.178E-01 RMM: 2 -0.332179912904E+03 -0.13607E-01 -0.11776E-01 4738 0.864E-01 0.717E-01 RMM: 3 -0.332176577877E+03 0.33350E-02 -0.14416E-02 5945 0.229E-01 0.119E-01 RMM: 4 -0.332176353753E+03 0.22412E-03 -0.68454E-04 4883 0.615E-02 0.117E-01 RMM: 5 -0.332176263309E+03 0.90444E-04 -0.10659E-04 3765 0.312E-02 0.591E-02 RMM: 6 -0.332176247499E+03 0.15810E-04 -0.26642E-05 2547 0.153E-02 3388 T= 7669. E= 0.67500777E+03 F= 0.62409274E+03 E0= 0.65262457E+03 EK= 0.62455E+02 SP= -.12E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333062628149E+03 -0.88636E+00 -0.14907E-01 7576 0.261E+01 0.198E-01 RMM: 2 -0.333081541843E+03 -0.18914E-01 -0.13231E-01 4741 0.904E-01 0.103E+00 RMM: 3 -0.333074320147E+03 0.72217E-02 -0.16008E-02 5709 0.248E-01 0.184E-01 RMM: 4 -0.333073960920E+03 0.35923E-03 -0.86829E-04 4741 0.674E-02 0.908E-02 RMM: 5 -0.333073899635E+03 0.61284E-04 -0.13142E-04 4111 0.318E-02 0.608E-02 RMM: 6 -0.333073884808E+03 0.14827E-04 -0.27086E-05 2558 0.151E-02 3389 T= 7760. E= 0.67500562E+03 F= 0.62319510E+03 E0= 0.65171390E+03 EK= 0.63197E+02 SP= -.11E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333767813684E+03 -0.69391E+00 -0.14068E-01 7440 0.262E+01 0.226E-01 RMM: 2 -0.333784983553E+03 -0.17170E-01 -0.99927E-02 4929 0.805E-01 0.116E+00 RMM: 3 -0.333776119090E+03 0.88645E-02 -0.11973E-02 5390 0.241E-01 0.188E-01 RMM: 4 -0.333775905485E+03 0.21361E-03 -0.95210E-04 4701 0.656E-02 0.101E-01 RMM: 5 -0.333775836236E+03 0.69249E-04 -0.13028E-04 3895 0.304E-02 0.767E-02 RMM: 6 -0.333775804451E+03 0.31785E-04 -0.32366E-05 2730 0.172E-02 0.444E-02 RMM: 7 -0.333775807233E+03 -0.27819E-05 -0.22012E-05 2533 0.143E-02 3390 T= 7820. E= 0.67500352E+03 F= 0.62249318E+03 E0= 0.65099351E+03 EK= 0.63684E+02 SP= -.11E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334242056307E+03 -0.46625E+00 -0.14460E-01 7528 0.262E+01 0.229E-01 RMM: 2 -0.334258022849E+03 -0.15967E-01 -0.11285E-01 4766 0.854E-01 0.982E-01 RMM: 3 -0.334251628391E+03 0.63945E-02 -0.14075E-02 5493 0.252E-01 0.206E-01 RMM: 4 -0.334251319880E+03 0.30851E-03 -0.99127E-04 4739 0.696E-02 0.108E-01 RMM: 5 -0.334251243769E+03 0.76110E-04 -0.14637E-04 3900 0.337E-02 0.599E-02 RMM: 6 -0.334251224816E+03 0.18953E-04 -0.29732E-05 2595 0.158E-02 3391 T= 7845. E= 0.67500265E+03 F= 0.62201776E+03 E0= 0.65049539E+03 EK= 0.63883E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334468638445E+03 -0.21739E+00 -0.14116E-01 7552 0.261E+01 0.191E-01 RMM: 2 -0.334484036510E+03 -0.15398E-01 -0.11084E-01 4835 0.830E-01 0.934E-01 RMM: 3 -0.334478336595E+03 0.56999E-02 -0.13380E-02 5688 0.232E-01 0.181E-01 RMM: 4 -0.334478016046E+03 0.32055E-03 -0.74010E-04 4730 0.624E-02 0.923E-02 RMM: 5 -0.334477955547E+03 0.60499E-04 -0.10922E-04 3936 0.292E-02 0.643E-02 RMM: 6 -0.334477937215E+03 0.18332E-04 -0.26054E-05 2546 0.152E-02 3392 T= 7831. E= 0.67500263E+03 F= 0.62179105E+03 E0= 0.65024312E+03 EK= 0.63773E+02 SP= -.11E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334433836109E+03 0.44119E-01 -0.13559E-01 7424 0.260E+01 0.259E-01 RMM: 2 -0.334457389382E+03 -0.23553E-01 -0.10840E-01 4744 0.848E-01 0.144E+00 RMM: 3 -0.334442976850E+03 0.14413E-01 -0.14937E-02 5366 0.281E-01 0.261E-01 RMM: 4 -0.334442494707E+03 0.48214E-03 -0.12931E-03 4771 0.756E-02 0.737E-02 RMM: 5 -0.334442466291E+03 0.28416E-04 -0.15654E-04 4382 0.303E-02 0.745E-02 RMM: 6 -0.334442436287E+03 0.30004E-04 -0.27936E-05 2571 0.160E-02 0.462E-02 RMM: 7 -0.334442442518E+03 -0.62314E-05 -0.25854E-05 2553 0.159E-02 3393 T= 7778. E= 0.67500337E+03 F= 0.62182655E+03 E0= 0.65025338E+03 EK= 0.63341E+02 SP= -.10E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334135362269E+03 0.30707E+00 -0.13377E-01 7480 0.258E+01 0.254E-01 RMM: 2 -0.334156470037E+03 -0.21108E-01 -0.11898E-01 4677 0.872E-01 0.126E+00 RMM: 3 -0.334145375305E+03 0.11095E-01 -0.15393E-02 5406 0.275E-01 0.250E-01 RMM: 4 -0.334144986427E+03 0.38888E-03 -0.14395E-03 5003 0.838E-02 0.112E-01 RMM: 5 -0.334144947505E+03 0.38922E-04 -0.18702E-04 3913 0.323E-02 0.923E-02 RMM: 6 -0.334144891309E+03 0.56196E-04 -0.35533E-05 2962 0.178E-02 0.259E-02 RMM: 7 -0.334144892062E+03 -0.75268E-06 -0.14318E-05 2495 0.116E-02 3394 T= 7686. E= 0.67500526E+03 F= 0.62212410E+03 E0= 0.65052740E+03 EK= 0.62594E+02 SP= -.10E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333587910027E+03 0.55698E+00 -0.13543E-01 7616 0.256E+01 0.184E-01 RMM: 2 -0.333604230129E+03 -0.16320E-01 -0.11778E-01 4748 0.852E-01 0.929E-01 RMM: 3 -0.333598250579E+03 0.59796E-02 -0.14317E-02 5671 0.239E-01 0.159E-01 RMM: 4 -0.333597977603E+03 0.27298E-03 -0.72983E-04 4785 0.617E-02 0.898E-02 RMM: 5 -0.333597924969E+03 0.52635E-04 -0.10524E-04 3883 0.296E-02 0.628E-02 RMM: 6 -0.333597903458E+03 0.21511E-04 -0.26161E-05 2555 0.154E-02 0.400E-02 RMM: 7 -0.333597903534E+03 -0.76079E-07 -0.22880E-05 2523 0.142E-02 3395 T= 7558. E= 0.67500793E+03 F= 0.62267109E+03 E0= 0.65105468E+03 EK= 0.61552E+02 SP= -.96E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332815848779E+03 0.78205E+00 -0.13252E-01 7608 0.253E+01 0.170E-01 RMM: 2 -0.332830560886E+03 -0.14712E-01 -0.11891E-01 4691 0.866E-01 0.771E-01 RMM: 3 -0.332826446364E+03 0.41145E-02 -0.14811E-02 5842 0.235E-01 0.147E-01 RMM: 4 -0.332826169858E+03 0.27651E-03 -0.69476E-04 4731 0.637E-02 0.895E-02 RMM: 5 -0.332826135915E+03 0.33943E-04 -0.10260E-04 3737 0.307E-02 0.652E-02 RMM: 6 -0.332826112124E+03 0.23791E-04 -0.26104E-05 2559 0.159E-02 0.317E-02 RMM: 7 -0.332826114462E+03 -0.23383E-05 -0.13805E-05 2486 0.118E-02 3396 T= 7398. E= 0.67501148E+03 F= 0.62344287E+03 E0= 0.65181182E+03 EK= 0.60248E+02 SP= -.91E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331855927013E+03 0.97019E+00 -0.12417E-01 7616 0.250E+01 0.163E-01 RMM: 2 -0.331869939098E+03 -0.14012E-01 -0.11696E-01 4757 0.841E-01 0.720E-01 RMM: 3 -0.331866325178E+03 0.36139E-02 -0.13898E-02 5826 0.222E-01 0.136E-01 RMM: 4 -0.331866100847E+03 0.22433E-03 -0.67311E-04 4678 0.643E-02 0.110E-01 RMM: 5 -0.331866023539E+03 0.77308E-04 -0.99104E-05 3657 0.296E-02 0.593E-02 RMM: 6 -0.331866004742E+03 0.18797E-04 -0.25394E-05 2547 0.153E-02 3397 T= 7212. E= 0.67501685E+03 F= 0.62440298E+03 E0= 0.65276280E+03 EK= 0.58732E+02 SP= -.86E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330757589745E+03 0.11084E+01 -0.11358E-01 7504 0.246E+01 0.162E-01 RMM: 2 -0.330769688463E+03 -0.12099E-01 -0.93196E-02 4806 0.763E-01 0.749E-01 RMM: 3 -0.330765814161E+03 0.38743E-02 -0.11443E-02 5653 0.214E-01 0.144E-01 RMM: 4 -0.330765608015E+03 0.20615E-03 -0.55392E-04 4747 0.538E-02 0.763E-02 RMM: 5 -0.330765573005E+03 0.35010E-04 -0.72972E-05 3484 0.255E-02 0.616E-02 RMM: 6 -0.330765556501E+03 0.16504E-04 -0.24624E-05 2532 0.156E-02 3398 T= 7007. E= 0.67502270E+03 F= 0.62550343E+03 E0= 0.65385969E+03 EK= 0.57061E+02 SP= -.81E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329570124144E+03 0.11954E+01 -0.11202E-01 7352 0.243E+01 0.288E-01 RMM: 2 -0.329598325352E+03 -0.28201E-01 -0.11251E-01 4812 0.844E-01 0.166E+00 RMM: 3 -0.329579269392E+03 0.19056E-01 -0.15710E-02 5375 0.289E-01 0.248E-01 RMM: 4 -0.329578806144E+03 0.46325E-03 -0.13853E-03 4827 0.769E-02 0.807E-02 RMM: 5 -0.329578805557E+03 0.58762E-06 -0.16325E-04 4032 0.311E-02 3399 T= 6791. E= 0.67502996E+03 F= 0.62669018E+03 E0= 0.65504753E+03 EK= 0.55302E+02 SP= -.76E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328356898180E+03 0.12219E+01 -0.10433E-01 7600 0.239E+01 0.171E-01 RMM: 2 -0.328371979072E+03 -0.15081E-01 -0.89043E-02 4912 0.727E-01 0.101E+00 RMM: 3 -0.328364677598E+03 0.73015E-02 -0.10486E-02 5443 0.220E-01 0.175E-01 RMM: 4 -0.328364469505E+03 0.20809E-03 -0.74682E-04 4698 0.588E-02 0.938E-02 RMM: 5 -0.328364429770E+03 0.39735E-04 -0.99084E-05 3736 0.282E-02 0.692E-02 RMM: 6 -0.328364402348E+03 0.27422E-04 -0.25284E-05 2570 0.151E-02 0.433E-02 RMM: 7 -0.328364408193E+03 -0.58450E-05 -0.24992E-05 2564 0.152E-02 3400 T= 6572. E= 0.67503663E+03 F= 0.62790458E+03 E0= 0.65626647E+03 EK= 0.53521E+02 SP= -.70E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327171120386E+03 0.11933E+01 -0.10308E-01 7456 0.235E+01 0.209E-01 RMM: 2 -0.327185222781E+03 -0.14102E-01 -0.10528E-01 4740 0.806E-01 0.874E-01 RMM: 3 -0.327179991416E+03 0.52314E-02 -0.12916E-02 5622 0.228E-01 0.157E-01 RMM: 4 -0.327179834365E+03 0.15705E-03 -0.81979E-04 4749 0.651E-02 0.142E-01 RMM: 5 -0.327179741931E+03 0.92434E-04 -0.13206E-04 3801 0.298E-02 0.912E-02 RMM: 6 -0.327179687604E+03 0.54327E-04 -0.39212E-05 3016 0.193E-02 0.207E-02 RMM: 7 -0.327179693450E+03 -0.58465E-05 -0.12990E-05 2492 0.115E-02 3401 T= 6359. E= 0.67504174E+03 F= 0.62908930E+03 E0= 0.65745882E+03 EK= 0.51784E+02 SP= -.65E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326069858771E+03 0.11098E+01 -0.92815E-02 7832 0.232E+01 0.156E-01 RMM: 2 -0.326080718321E+03 -0.10860E-01 -0.83706E-02 4932 0.717E-01 0.730E-01 RMM: 3 -0.326077134722E+03 0.35836E-02 -0.96211E-03 5801 0.188E-01 0.138E-01 RMM: 4 -0.326076927280E+03 0.20744E-03 -0.47924E-04 4564 0.531E-02 0.936E-02 RMM: 5 -0.326076856954E+03 0.70326E-04 -0.74891E-05 3468 0.254E-02 0.488E-02 RMM: 6 -0.326076848049E+03 0.89052E-05 -0.20329E-05 2528 0.130E-02 3402 T= 6159. E= 0.67504677E+03 F= 0.63019214E+03 E0= 0.65857188E+03 EK= 0.50152E+02 SP= -.59E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325094857605E+03 0.98200E+00 -0.96582E-02 7512 0.229E+01 0.161E-01 RMM: 2 -0.325107877031E+03 -0.13019E-01 -0.92989E-02 4847 0.743E-01 0.828E-01 RMM: 3 -0.325103059632E+03 0.48174E-02 -0.11109E-02 5743 0.202E-01 0.150E-01 RMM: 4 -0.325102799963E+03 0.25967E-03 -0.53813E-04 4722 0.522E-02 0.729E-02 RMM: 5 -0.325102767399E+03 0.32564E-04 -0.70365E-05 3425 0.244E-02 0.571E-02 RMM: 6 -0.325102755892E+03 0.11507E-04 -0.22532E-05 2534 0.144E-02 3403 T= 5977. E= 0.67505080E+03 F= 0.63116623E+03 E0= 0.65955836E+03 EK= 0.48676E+02 SP= -.54E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324286896180E+03 0.81587E+00 -0.94514E-02 7368 0.227E+01 0.303E-01 RMM: 2 -0.324315260017E+03 -0.28364E-01 -0.95047E-02 4871 0.779E-01 0.173E+00 RMM: 3 -0.324294310200E+03 0.20950E-01 -0.14093E-02 5363 0.284E-01 0.302E-01 RMM: 4 -0.324293657172E+03 0.65303E-03 -0.15123E-03 4842 0.814E-02 0.754E-02 RMM: 5 -0.324293668400E+03 -0.11228E-04 -0.18278E-04 3920 0.314E-02 3404 T= 5820. E= 0.67505422E+03 F= 0.63197532E+03 E0= 0.66038190E+03 EK= 0.47397E+02 SP= -.48E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323666910078E+03 0.62675E+00 -0.93823E-02 7552 0.225E+01 0.236E-01 RMM: 2 -0.323688201378E+03 -0.21291E-01 -0.83081E-02 5005 0.703E-01 0.144E+00 RMM: 3 -0.323673889379E+03 0.14312E-01 -0.11011E-02 5369 0.241E-01 0.254E-01 RMM: 4 -0.323673437482E+03 0.45190E-03 -0.10975E-03 4689 0.681E-02 0.754E-02 RMM: 5 -0.323673415006E+03 0.22476E-04 -0.12647E-04 3942 0.285E-02 0.785E-02 RMM: 6 -0.323673376861E+03 0.38145E-04 -0.26130E-05 2580 0.152E-02 0.419E-02 RMM: 7 -0.323673380917E+03 -0.40563E-05 -0.20420E-05 2539 0.137E-02 3405 T= 5690. E= 0.67505689E+03 F= 0.63259561E+03 E0= 0.66101883E+03 EK= 0.46340E+02 SP= -.43E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323251100653E+03 0.42228E+00 -0.96593E-02 7576 0.224E+01 0.235E-01 RMM: 2 -0.323266229708E+03 -0.15129E-01 -0.86076E-02 4820 0.730E-01 0.110E+00 RMM: 3 -0.323258000648E+03 0.82291E-02 -0.10598E-02 5448 0.224E-01 0.211E-01 RMM: 4 -0.323257728128E+03 0.27252E-03 -0.93450E-04 4713 0.652E-02 0.107E-01 RMM: 5 -0.323257720018E+03 0.81104E-05 -0.15521E-04 3859 0.311E-02 3406 T= 5590. E= 0.67505859E+03 F= 0.63301127E+03 E0= 0.66145289E+03 EK= 0.45523E+02 SP= -.39E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323045941789E+03 0.21179E+00 -0.99181E-02 7656 0.224E+01 0.145E-01 RMM: 2 -0.323056738316E+03 -0.10797E-01 -0.92252E-02 4955 0.735E-01 0.626E-01 RMM: 3 -0.323054173757E+03 0.25646E-02 -0.10681E-02 6019 0.184E-01 0.152E-01 RMM: 4 -0.323053857376E+03 0.31638E-03 -0.48200E-04 4538 0.529E-02 0.755E-02 RMM: 5 -0.323053809818E+03 0.47558E-04 -0.71177E-05 3496 0.238E-02 0.608E-02 RMM: 6 -0.323053794819E+03 0.14999E-04 -0.21407E-05 2527 0.136E-02 3407 T= 5520. E= 0.67505964E+03 F= 0.63321519E+03 E0= 0.66167674E+03 EK= 0.44952E+02 SP= -.34E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323051704749E+03 0.21051E-02 -0.10407E-01 7480 0.224E+01 0.223E-01 RMM: 2 -0.323071308702E+03 -0.19604E-01 -0.10519E-01 4737 0.791E-01 0.123E+00 RMM: 3 -0.323060633464E+03 0.10675E-01 -0.13025E-02 5480 0.240E-01 0.211E-01 RMM: 4 -0.323060263313E+03 0.37015E-03 -0.10442E-03 4915 0.644E-02 0.696E-02 RMM: 5 -0.323060241353E+03 0.21960E-04 -0.12486E-04 3928 0.285E-02 0.639E-02 RMM: 6 -0.323060217562E+03 0.23791E-04 -0.22956E-05 2549 0.136E-02 0.390E-02 RMM: 7 -0.323060222796E+03 -0.52338E-05 -0.19083E-05 2511 0.138E-02 3408 T= 5480. E= 0.67505963E+03 F= 0.63320877E+03 E0= 0.66169016E+03 EK= 0.44626E+02 SP= -.31E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323263510415E+03 -0.20329E+00 -0.10104E-01 7424 0.224E+01 0.235E-01 RMM: 2 -0.323278474372E+03 -0.14964E-01 -0.82971E-02 4878 0.713E-01 0.110E+00 RMM: 3 -0.323270191643E+03 0.82827E-02 -0.10355E-02 5430 0.221E-01 0.242E-01 RMM: 4 -0.323269814011E+03 0.37763E-03 -0.11185E-03 4694 0.741E-02 0.111E-01 RMM: 5 -0.323269803946E+03 0.10066E-04 -0.17364E-04 3859 0.331E-02 3409 T= 5469. E= 0.67505964E+03 F= 0.63299919E+03 E0= 0.66149918E+03 EK= 0.44538E+02 SP= -.27E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323663008443E+03 -0.39319E+00 -0.10107E-01 7616 0.225E+01 0.190E-01 RMM: 2 -0.323677671566E+03 -0.14663E-01 -0.76818E-02 4964 0.678E-01 0.110E+00 RMM: 3 -0.323669480174E+03 0.81914E-02 -0.91289E-03 5450 0.203E-01 0.177E-01 RMM: 4 -0.323669242112E+03 0.23806E-03 -0.70908E-04 4869 0.537E-02 0.693E-02 RMM: 5 -0.323669201127E+03 0.40984E-04 -0.86426E-05 3741 0.248E-02 0.557E-02 RMM: 6 -0.323669185325E+03 0.15803E-04 -0.22868E-05 2540 0.141E-02 3410 T= 5486. E= 0.67505924E+03 F= 0.63259980E+03 E0= 0.66111534E+03 EK= 0.44672E+02 SP= -.24E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324232976773E+03 -0.56378E+00 -0.10069E-01 7664 0.225E+01 0.202E-01 RMM: 2 -0.324248196184E+03 -0.15219E-01 -0.72405E-02 4803 0.659E-01 0.115E+00 RMM: 3 -0.324239046065E+03 0.91501E-02 -0.95001E-03 5405 0.214E-01 0.191E-01 RMM: 4 -0.324238799449E+03 0.24662E-03 -0.83881E-04 4767 0.577E-02 0.782E-02 RMM: 5 -0.324238775828E+03 0.23622E-04 -0.10511E-04 3769 0.281E-02 0.647E-02 RMM: 6 -0.324238749552E+03 0.26276E-04 -0.23393E-05 2613 0.143E-02 0.336E-02 RMM: 7 -0.324238753129E+03 -0.35773E-05 -0.14477E-05 2488 0.124E-02 3411 T= 5527. E= 0.67505742E+03 F= 0.63203024E+03 E0= 0.66055744E+03 EK= 0.45007E+02 SP= -.21E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324948196299E+03 -0.70945E+00 -0.10633E-01 7488 0.226E+01 0.256E-01 RMM: 2 -0.324966699449E+03 -0.18503E-01 -0.80517E-02 4901 0.711E-01 0.135E+00 RMM: 3 -0.324954485591E+03 0.12214E-01 -0.11000E-02 5383 0.239E-01 0.226E-01 RMM: 4 -0.324954155489E+03 0.33010E-03 -0.11091E-03 4695 0.688E-02 0.109E-01 RMM: 5 -0.324954138873E+03 0.16615E-04 -0.17338E-04 3875 0.341E-02 3412 T= 5590. E= 0.67505623E+03 F= 0.63131485E+03 E0= 0.65984884E+03 EK= 0.45518E+02 SP= -.19E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325782713410E+03 -0.82856E+00 -0.11031E-01 7504 0.227E+01 0.147E-01 RMM: 2 -0.325793996211E+03 -0.11283E-01 -0.77272E-02 4923 0.667E-01 0.811E-01 RMM: 3 -0.325789458998E+03 0.45372E-02 -0.89909E-03 5647 0.183E-01 0.144E-01 RMM: 4 -0.325789232947E+03 0.22605E-03 -0.51025E-04 4645 0.488E-02 0.713E-02 RMM: 5 -0.325789197168E+03 0.35779E-04 -0.67903E-05 3378 0.244E-02 0.513E-02 RMM: 6 -0.325789186497E+03 0.10671E-04 -0.23722E-05 2528 0.144E-02 3413 T= 5670. E= 0.67505528E+03 F= 0.63047980E+03 E0= 0.65901485E+03 EK= 0.46176E+02 SP= -.17E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326711323043E+03 -0.92213E+00 -0.10964E-01 7464 0.229E+01 0.235E-01 RMM: 2 -0.326733229056E+03 -0.21906E-01 -0.85887E-02 4719 0.717E-01 0.146E+00 RMM: 3 -0.326718361289E+03 0.14868E-01 -0.11568E-02 5377 0.242E-01 0.201E-01 RMM: 4 -0.326718086472E+03 0.27482E-03 -0.11337E-03 4827 0.649E-02 0.799E-02 RMM: 5 -0.326718063094E+03 0.23378E-04 -0.12796E-04 3843 0.293E-02 0.709E-02 RMM: 6 -0.326718032378E+03 0.30716E-04 -0.26295E-05 2611 0.150E-02 0.373E-02 RMM: 7 -0.326718032786E+03 -0.40799E-06 -0.15073E-05 2494 0.128E-02 3414 T= 5766. E= 0.67505278E+03 F= 0.62955096E+03 E0= 0.65808181E+03 EK= 0.46952E+02 SP= -.15E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327706731273E+03 -0.98870E+00 -0.11154E-01 7528 0.230E+01 0.267E-01 RMM: 2 -0.327729245087E+03 -0.22514E-01 -0.97895E-02 4731 0.773E-01 0.144E+00 RMM: 3 -0.327714611283E+03 0.14634E-01 -0.13226E-02 5372 0.260E-01 0.271E-01 RMM: 4 -0.327714097646E+03 0.51364E-03 -0.14279E-03 4865 0.787E-02 0.888E-02 RMM: 5 -0.327714108080E+03 -0.10434E-04 -0.20318E-04 3903 0.335E-02 0.111E-01 RMM: 6 -0.327714028946E+03 0.79134E-04 -0.54499E-05 3272 0.218E-02 0.320E-02 RMM: 7 -0.327714025294E+03 0.36523E-05 -0.14381E-05 2502 0.116E-02 3415 T= 5872. E= 0.67505060E+03 F= 0.62855496E+03 E0= 0.65707647E+03 EK= 0.47818E+02 SP= -.14E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328746885302E+03 -0.10329E+01 -0.11205E-01 7656 0.231E+01 0.177E-01 RMM: 2 -0.328760181327E+03 -0.13296E-01 -0.88015E-02 4748 0.722E-01 0.912E-01 RMM: 3 -0.328754481438E+03 0.56999E-02 -0.10685E-02 5594 0.206E-01 0.173E-01 RMM: 4 -0.328754194576E+03 0.28686E-03 -0.70862E-04 4879 0.568E-02 0.732E-02 RMM: 5 -0.328754167054E+03 0.27522E-04 -0.99591E-05 3717 0.273E-02 0.606E-02 RMM: 6 -0.328754143288E+03 0.23766E-04 -0.24785E-05 2559 0.149E-02 0.328E-02 RMM: 7 -0.328754143710E+03 -0.42178E-06 -0.14421E-05 2489 0.118E-02 3416 T= 5986. E= 0.67504849E+03 F= 0.62751485E+03 E0= 0.65602241E+03 EK= 0.48747E+02 SP= -.12E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329811076416E+03 -0.10569E+01 -0.11010E-01 7776 0.232E+01 0.176E-01 RMM: 2 -0.329823607866E+03 -0.12531E-01 -0.89478E-02 4723 0.733E-01 0.839E-01 RMM: 3 -0.329818776401E+03 0.48315E-02 -0.10869E-02 5692 0.203E-01 0.168E-01 RMM: 4 -0.329818488179E+03 0.28822E-03 -0.67638E-04 4770 0.576E-02 0.741E-02 RMM: 5 -0.329818469914E+03 0.18265E-04 -0.10006E-04 3715 0.268E-02 3417 T= 6105. E= 0.67504724E+03 F= 0.62645052E+03 E0= 0.65494193E+03 EK= 0.49717E+02 SP= -.11E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330882460197E+03 -0.10640E+01 -0.11444E-01 7640 0.234E+01 0.110E-01 RMM: 2 -0.330891711178E+03 -0.92510E-02 -0.88099E-02 4767 0.716E-01 0.443E-01 RMM: 3 -0.330890325161E+03 0.13860E-02 -0.10327E-02 6138 0.178E-01 0.104E-01 RMM: 4 -0.330890113943E+03 0.21122E-03 -0.41508E-04 4630 0.531E-02 0.783E-02 RMM: 5 -0.330890074143E+03 0.39800E-04 -0.54902E-05 3186 0.239E-02 0.568E-02 RMM: 6 -0.330890064045E+03 0.10097E-04 -0.22127E-05 2514 0.140E-02 3418 T= 6227. E= 0.67504612E+03 F= 0.62537893E+03 E0= 0.65385233E+03 EK= 0.50708E+02 SP= -.11E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331946529851E+03 -0.10565E+01 -0.11592E-01 7760 0.235E+01 0.222E-01 RMM: 2 -0.331963962512E+03 -0.17433E-01 -0.93568E-02 4687 0.750E-01 0.118E+00 RMM: 3 -0.331954280866E+03 0.96816E-02 -0.11869E-02 5431 0.236E-01 0.199E-01 RMM: 4 -0.331954001718E+03 0.27915E-03 -0.10335E-03 4864 0.639E-02 0.702E-02 RMM: 5 -0.331954001336E+03 0.38123E-06 -0.12982E-04 3899 0.288E-02 3419 T= 6349. E= 0.67504534E+03 F= 0.62431499E+03 E0= 0.65277186E+03 EK= 0.51700E+02 SP= -.98E+00 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332986976811E+03 -0.10330E+01 -0.11375E-01 7656 0.237E+01 0.226E-01 RMM: 2 -0.333008390562E+03 -0.21414E-01 -0.10774E-01 4783 0.808E-01 0.133E+00 RMM: 3 -0.332996100753E+03 0.12290E-01 -0.13655E-02 5493 0.245E-01 0.187E-01 RMM: 4 -0.332995808190E+03 0.29256E-03 -0.10949E-03 4827 0.687E-02 0.964E-02 RMM: 5 -0.332995767309E+03 0.40881E-04 -0.15107E-04 3970 0.310E-02 0.803E-02 RMM: 6 -0.332995727646E+03 0.39663E-04 -0.32249E-05 2692 0.168E-02 0.409E-02 RMM: 7 -0.332995729745E+03 -0.20985E-05 -0.23985E-05 2546 0.152E-02 3420 T= 6468. E= 0.67504467E+03 F= 0.62327326E+03 E0= 0.65171531E+03 EK= 0.52673E+02 SP= -.91E+00 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333990332902E+03 -0.99461E+00 -0.12299E-01 7728 0.239E+01 0.171E-01 RMM: 2 -0.334004197477E+03 -0.13865E-01 -0.11160E-01 4677 0.812E-01 0.766E-01 RMM: 3 -0.334000040309E+03 0.41572E-02 -0.13365E-02 5904 0.214E-01 0.137E-01 RMM: 4 -0.333999776413E+03 0.26390E-03 -0.68034E-04 4952 0.585E-02 0.934E-02 RMM: 5 -0.333999733939E+03 0.42474E-04 -0.97569E-05 3738 0.267E-02 0.628E-02 RMM: 6 -0.333999709769E+03 0.24170E-04 -0.24286E-05 2557 0.149E-02 0.205E-02 RMM: 7 -0.333999711585E+03 -0.18164E-05 -0.96857E-06 2478 0.102E-02 3421 T= 6583. E= 0.67504286E+03 F= 0.62226928E+03 E0= 0.65070008E+03 EK= 0.53608E+02 SP= -.84E+00 SK= 0.94E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334936274657E+03 -0.93656E+00 -0.12086E-01 7648 0.240E+01 0.150E-01 RMM: 2 -0.334950393217E+03 -0.14119E-01 -0.12465E-01 4738 0.843E-01 0.647E-01 RMM: 3 -0.334947449354E+03 0.29439E-02 -0.14772E-02 6237 0.206E-01 0.127E-01 RMM: 4 -0.334947141657E+03 0.30770E-03 -0.71222E-04 4639 0.687E-02 0.107E-01 RMM: 5 -0.334947063015E+03 0.78642E-04 -0.10285E-04 3670 0.295E-02 0.532E-02 RMM: 6 -0.334947048850E+03 0.14164E-04 -0.23809E-05 2548 0.140E-02 3422 T= 6690. E= 0.67504140E+03 F= 0.62132194E+03 E0= 0.64974560E+03 EK= 0.54483E+02 SP= -.77E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335805667175E+03 -0.85860E+00 -0.13196E-01 7728 0.242E+01 0.143E-01 RMM: 2 -0.335821255137E+03 -0.15588E-01 -0.12986E-01 4780 0.842E-01 0.735E-01 RMM: 3 -0.335817279609E+03 0.39755E-02 -0.14991E-02 6023 0.211E-01 0.126E-01 RMM: 4 -0.335816947066E+03 0.33254E-03 -0.62883E-04 4917 0.573E-02 0.700E-02 RMM: 5 -0.335816914545E+03 0.32521E-04 -0.75265E-05 3390 0.251E-02 0.520E-02 RMM: 6 -0.335816906243E+03 0.83020E-05 -0.21159E-05 2518 0.139E-02 3423 T= 6787. E= 0.67503992E+03 F= 0.62045208E+03 E0= 0.64887336E+03 EK= 0.55271E+02 SP= -.70E+00 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336577789757E+03 -0.76088E+00 -0.12107E-01 7656 0.244E+01 0.276E-01 RMM: 2 -0.336603440209E+03 -0.25650E-01 -0.10305E-01 4731 0.794E-01 0.157E+00 RMM: 3 -0.336586093543E+03 0.17347E-01 -0.14218E-02 5399 0.272E-01 0.251E-01 RMM: 4 -0.336585645136E+03 0.44841E-03 -0.14371E-03 4848 0.763E-02 0.847E-02 RMM: 5 -0.336585636124E+03 0.90124E-05 -0.18127E-04 3951 0.320E-02 3424 T= 6870. E= 0.67503905E+03 F= 0.61968335E+03 E0= 0.64810580E+03 EK= 0.55946E+02 SP= -.61E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337220772823E+03 -0.63513E+00 -0.11916E-01 7680 0.245E+01 0.186E-01 RMM: 2 -0.337236108102E+03 -0.15335E-01 -0.85115E-02 4885 0.696E-01 0.107E+00 RMM: 3 -0.337228131850E+03 0.79763E-02 -0.10447E-02 5435 0.221E-01 0.215E-01 RMM: 4 -0.337227817927E+03 0.31392E-03 -0.87445E-04 4796 0.606E-02 0.804E-02 RMM: 5 -0.337227784807E+03 0.33120E-04 -0.10858E-04 3885 0.282E-02 0.687E-02 RMM: 6 -0.337227760269E+03 0.24538E-04 -0.24663E-05 2556 0.145E-02 0.484E-02 RMM: 7 -0.337227768992E+03 -0.87229E-05 -0.30634E-05 2653 0.164E-02 3425 T= 6935. E= 0.67503857E+03 F= 0.61904122E+03 E0= 0.64746779E+03 EK= 0.56478E+02 SP= -.51E+00 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337714280346E+03 -0.48652E+00 -0.12735E-01 7680 0.246E+01 0.200E-01 RMM: 2 -0.337729695479E+03 -0.15415E-01 -0.11291E-01 4648 0.820E-01 0.907E-01 RMM: 3 -0.337723932618E+03 0.57629E-02 -0.13834E-02 5724 0.229E-01 0.162E-01 RMM: 4 -0.337723704279E+03 0.22834E-03 -0.86248E-04 4824 0.649E-02 0.127E-01 RMM: 5 -0.337723642177E+03 0.62102E-04 -0.14804E-04 3837 0.328E-02 0.888E-02 RMM: 6 -0.337723590472E+03 0.51704E-04 -0.45091E-05 3121 0.198E-02 0.209E-02 RMM: 7 -0.337723595982E+03 -0.55095E-05 -0.13710E-05 2496 0.123E-02 3426 T= 6981. E= 0.67503759E+03 F= 0.61854539E+03 E0= 0.64697715E+03 EK= 0.56845E+02 SP= -.39E+00 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338052999066E+03 -0.32941E+00 -0.12659E-01 7808 0.247E+01 0.136E-01 RMM: 2 -0.338064184283E+03 -0.11185E-01 -0.96822E-02 4808 0.738E-01 0.601E-01 RMM: 3 -0.338061559235E+03 0.26250E-02 -0.11274E-02 5976 0.193E-01 0.121E-01 RMM: 4 -0.338061324897E+03 0.23434E-03 -0.47282E-04 4533 0.535E-02 0.915E-02 RMM: 5 -0.338061258126E+03 0.66771E-04 -0.72619E-05 3402 0.269E-02 0.488E-02 RMM: 6 -0.338061249075E+03 0.90510E-05 -0.21267E-05 2515 0.131E-02 3427 T= 7004. E= 0.67503784E+03 F= 0.61820774E+03 E0= 0.64664285E+03 EK= 0.57035E+02 SP= -.25E+00 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338233028430E+03 -0.17177E+00 -0.12775E-01 7688 0.247E+01 0.162E-01 RMM: 2 -0.338245787654E+03 -0.12759E-01 -0.89352E-02 4730 0.715E-01 0.841E-01 RMM: 3 -0.338240801421E+03 0.49862E-02 -0.10912E-02 5679 0.208E-01 0.169E-01 RMM: 4 -0.338240522544E+03 0.27888E-03 -0.59088E-04 4773 0.535E-02 0.697E-02 RMM: 5 -0.338240494095E+03 0.28449E-04 -0.76854E-05 3553 0.254E-02 0.597E-02 RMM: 6 -0.338240479534E+03 0.14561E-04 -0.24835E-05 2551 0.149E-02 3428 T= 7005. E= 0.67503892E+03 F= 0.61802851E+03 E0= 0.64646554E+03 EK= 0.57046E+02 SP= -.92E-01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338266295837E+03 -0.25802E-01 -0.12671E-01 7728 0.247E+01 0.323E-01 RMM: 2 -0.338298156156E+03 -0.31860E-01 -0.88491E-02 4864 0.744E-01 0.189E+00 RMM: 3 -0.338272958906E+03 0.25197E-01 -0.14691E-02 5379 0.293E-01 0.302E-01 RMM: 4 -0.338272291452E+03 0.66745E-03 -0.16403E-03 4860 0.838E-02 0.781E-02 RMM: 5 -0.338272282992E+03 0.84600E-05 -0.18430E-04 3940 0.314E-02 3429 T= 6986. E= 0.67504184E+03 F= 0.61799671E+03 E0= 0.64643141E+03 EK= 0.56892E+02 SP= 0.84E-01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338173845118E+03 0.98446E-01 -0.12242E-01 7648 0.247E+01 0.215E-01 RMM: 2 -0.338192862106E+03 -0.19017E-01 -0.78155E-02 5067 0.650E-01 0.131E+00 RMM: 3 -0.338180197294E+03 0.12665E-01 -0.95633E-03 5398 0.225E-01 0.228E-01 RMM: 4 -0.338179834539E+03 0.36276E-03 -0.95878E-04 4711 0.640E-02 0.823E-02 RMM: 5 -0.338179797181E+03 0.37358E-04 -0.10651E-04 3861 0.267E-02 0.716E-02 RMM: 6 -0.338179770461E+03 0.26720E-04 -0.23499E-05 2558 0.146E-02 0.463E-02 RMM: 7 -0.338179777752E+03 -0.72912E-05 -0.23139E-05 2571 0.143E-02 3430 T= 6950. E= 0.67504550E+03 F= 0.61808921E+03 E0= 0.64651814E+03 EK= 0.56594E+02 SP= 0.28E+00 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337987911215E+03 0.19186E+00 -0.12321E-01 8000 0.246E+01 0.223E-01 RMM: 2 -0.338002555146E+03 -0.14644E-01 -0.93790E-02 4755 0.750E-01 0.101E+00 RMM: 3 -0.337995600111E+03 0.69550E-02 -0.11391E-02 5582 0.222E-01 0.192E-01 RMM: 4 -0.337995346377E+03 0.25373E-03 -0.88172E-04 4716 0.658E-02 0.120E-01 RMM: 5 -0.337995310875E+03 0.35502E-04 -0.14709E-04 3839 0.311E-02 0.971E-02 RMM: 6 -0.337995249925E+03 0.60950E-04 -0.43455E-05 3127 0.199E-02 0.220E-02 RMM: 7 -0.337995253638E+03 -0.37130E-05 -0.12350E-05 2492 0.111E-02 3431 T= 6900. E= 0.67504880E+03 F= 0.61827374E+03 E0= 0.64669314E+03 EK= 0.56187E+02 SP= 0.49E+00 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337746635916E+03 0.24861E+00 -0.12044E-01 7776 0.245E+01 0.163E-01 RMM: 2 -0.337757653855E+03 -0.11018E-01 -0.84937E-02 5006 0.696E-01 0.744E-01 RMM: 3 -0.337753866774E+03 0.37871E-02 -0.94895E-03 5848 0.186E-01 0.133E-01 RMM: 4 -0.337753646727E+03 0.22005E-03 -0.49663E-04 4657 0.509E-02 0.995E-02 RMM: 5 -0.337753570314E+03 0.76413E-04 -0.78404E-05 3534 0.251E-02 0.523E-02 RMM: 6 -0.337753556406E+03 0.13908E-04 -0.21001E-05 2533 0.134E-02 3432 T= 6841. E= 0.67505179E+03 F= 0.61851543E+03 E0= 0.64692140E+03 EK= 0.55708E+02 SP= 0.72E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337477649406E+03 0.27592E+00 -0.12163E-01 7608 0.244E+01 0.171E-01 RMM: 2 -0.337490677284E+03 -0.13028E-01 -0.95195E-02 4863 0.733E-01 0.823E-01 RMM: 3 -0.337485939699E+03 0.47376E-02 -0.11074E-02 5697 0.207E-01 0.181E-01 RMM: 4 -0.337485612692E+03 0.32701E-03 -0.66226E-04 4919 0.543E-02 0.671E-02 RMM: 5 -0.337485591467E+03 0.21225E-04 -0.82549E-05 3561 0.247E-02 0.602E-02 RMM: 6 -0.337485573268E+03 0.18199E-04 -0.21610E-05 2542 0.139E-02 3433 T= 6777. E= 0.67505415E+03 F= 0.61878342E+03 E0= 0.64717417E+03 EK= 0.55190E+02 SP= 0.96E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337206612820E+03 0.27898E+00 -0.11354E-01 7744 0.242E+01 0.297E-01 RMM: 2 -0.337231011853E+03 -0.24399E-01 -0.94624E-02 4978 0.759E-01 0.157E+00 RMM: 3 -0.337213990884E+03 0.17021E-01 -0.13352E-02 5388 0.269E-01 0.298E-01 RMM: 4 -0.337213348133E+03 0.64275E-03 -0.14761E-03 4767 0.798E-02 0.827E-02 RMM: 5 -0.337213342822E+03 0.53106E-05 -0.18708E-04 3947 0.315E-02 3434 T= 6712. E= 0.67505681E+03 F= 0.61905565E+03 E0= 0.64743020E+03 EK= 0.54660E+02 SP= 0.12E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336940197480E+03 0.27315E+00 -0.10706E-01 7816 0.241E+01 0.197E-01 RMM: 2 -0.336957575004E+03 -0.17378E-01 -0.84753E-02 4957 0.684E-01 0.118E+00 RMM: 3 -0.336947495202E+03 0.10080E-01 -0.10152E-02 5457 0.216E-01 0.173E-01 RMM: 4 -0.336947257171E+03 0.23803E-03 -0.85218E-04 4775 0.589E-02 0.823E-02 RMM: 5 -0.336947216799E+03 0.40372E-04 -0.94681E-05 3849 0.250E-02 0.623E-02 RMM: 6 -0.336947199016E+03 0.17783E-04 -0.21715E-05 2537 0.139E-02 3435 T= 6647. E= 0.67505894E+03 F= 0.61932179E+03 E0= 0.64768124E+03 EK= 0.54130E+02 SP= 0.15E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336678219001E+03 0.26900E+00 -0.11521E-01 7648 0.240E+01 0.185E-01 RMM: 2 -0.336692745651E+03 -0.14527E-01 -0.10047E-01 4719 0.776E-01 0.892E-01 RMM: 3 -0.336686979104E+03 0.57665E-02 -0.12144E-02 5575 0.225E-01 0.175E-01 RMM: 4 -0.336686696266E+03 0.28284E-03 -0.80891E-04 4871 0.598E-02 0.729E-02 RMM: 5 -0.336686675854E+03 0.20412E-04 -0.10557E-04 3804 0.270E-02 0.666E-02 RMM: 6 -0.336686649901E+03 0.25953E-04 -0.24246E-05 2567 0.147E-02 0.313E-02 RMM: 7 -0.336686658354E+03 -0.84528E-05 -0.18788E-05 2513 0.134E-02 3436 T= 6582. E= 0.67505929E+03 F= 0.61958233E+03 E0= 0.64792875E+03 EK= 0.53600E+02 SP= 0.17E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336416680290E+03 0.26997E+00 -0.10491E-01 7920 0.239E+01 0.253E-01 RMM: 2 -0.336433061809E+03 -0.16382E-01 -0.75708E-02 4958 0.681E-01 0.125E+00 RMM: 3 -0.336422635586E+03 0.10426E-01 -0.10134E-02 5410 0.228E-01 0.234E-01 RMM: 4 -0.336422279288E+03 0.35630E-03 -0.10313E-03 4678 0.669E-02 0.992E-02 RMM: 5 -0.336422267026E+03 0.12262E-04 -0.15140E-04 3857 0.312E-02 3437 T= 6517. E= 0.67506005E+03 F= 0.61984672E+03 E0= 0.64818401E+03 EK= 0.53067E+02 SP= 0.20E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336133756523E+03 0.28852E+00 -0.10309E-01 7936 0.237E+01 0.147E-01 RMM: 2 -0.336145014223E+03 -0.11258E-01 -0.74688E-02 4957 0.648E-01 0.822E-01 RMM: 3 -0.336140232016E+03 0.47822E-02 -0.82051E-03 5569 0.184E-01 0.148E-01 RMM: 4 -0.336140037974E+03 0.19404E-03 -0.49903E-04 4672 0.470E-02 0.609E-02 RMM: 5 -0.336140003197E+03 0.34777E-04 -0.55889E-05 3177 0.217E-02 0.537E-02 RMM: 6 -0.336139991693E+03 0.11504E-04 -0.22195E-05 2514 0.143E-02 3438 T= 6449. E= 0.67506095E+03 F= 0.62012900E+03 E0= 0.64846138E+03 EK= 0.52518E+02 SP= 0.23E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335822055024E+03 0.31795E+00 -0.10375E-01 7672 0.236E+01 0.226E-01 RMM: 2 -0.335840934239E+03 -0.18879E-01 -0.69249E-02 4789 0.645E-01 0.137E+00 RMM: 3 -0.335827600486E+03 0.13334E-01 -0.98959E-03 5387 0.232E-01 0.189E-01 RMM: 4 -0.335827363354E+03 0.23713E-03 -0.95212E-04 4950 0.581E-02 0.640E-02 RMM: 5 -0.335827332549E+03 0.30805E-04 -0.79488E-05 3636 0.251E-02 0.591E-02 RMM: 6 -0.335827315029E+03 0.17520E-04 -0.21949E-05 2547 0.141E-02 3439 T= 6378. E= 0.67506125E+03 F= 0.62044167E+03 E0= 0.64877480E+03 EK= 0.51942E+02 SP= 0.25E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335472129407E+03 0.35520E+00 -0.10145E-01 7680 0.235E+01 0.290E-01 RMM: 2 -0.335496382130E+03 -0.24253E-01 -0.71686E-02 5035 0.665E-01 0.164E+00 RMM: 3 -0.335477545395E+03 0.18837E-01 -0.11551E-02 5364 0.261E-01 0.302E-01 RMM: 4 -0.335476884154E+03 0.66124E-03 -0.13447E-03 4720 0.780E-02 0.652E-02 RMM: 5 -0.335476879909E+03 0.42448E-05 -0.14747E-04 4100 0.273E-02 3440 T= 6304. E= 0.67506306E+03 F= 0.62079211E+03 E0= 0.64913192E+03 EK= 0.51338E+02 SP= 0.28E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335084251958E+03 0.39263E+00 -0.10254E-01 7816 0.233E+01 0.179E-01 RMM: 2 -0.335098104628E+03 -0.13853E-01 -0.70518E-02 4971 0.630E-01 0.105E+00 RMM: 3 -0.335090292057E+03 0.78126E-02 -0.84350E-03 5448 0.200E-01 0.196E-01 RMM: 4 -0.335090014555E+03 0.27750E-03 -0.71187E-04 4678 0.559E-02 0.693E-02 RMM: 5 -0.335089986315E+03 0.28240E-04 -0.77496E-05 3640 0.231E-02 0.611E-02 RMM: 6 -0.335089968156E+03 0.18159E-04 -0.20015E-05 2523 0.134E-02 3441 T= 6227. E= 0.67506565E+03 F= 0.62117902E+03 E0= 0.64953204E+03 EK= 0.50708E+02 SP= 0.31E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334672022887E+03 0.41796E+00 -0.10130E-01 7576 0.232E+01 0.230E-01 RMM: 2 -0.334686144918E+03 -0.14122E-01 -0.76313E-02 4799 0.683E-01 0.108E+00 RMM: 3 -0.334678189758E+03 0.79552E-02 -0.10505E-02 5389 0.234E-01 0.209E-01 RMM: 4 -0.334677888648E+03 0.30111E-03 -0.92348E-04 4899 0.595E-02 0.684E-02 RMM: 5 -0.334677877628E+03 0.11021E-04 -0.10203E-04 3751 0.277E-02 3442 T= 6148. E= 0.67506844E+03 F= 0.62159111E+03 E0= 0.64996318E+03 EK= 0.50067E+02 SP= 0.33E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334251923044E+03 0.42597E+00 -0.10160E-01 7760 0.230E+01 0.203E-01 RMM: 2 -0.334265843277E+03 -0.13920E-01 -0.72664E-02 5045 0.644E-01 0.106E+00 RMM: 3 -0.334258023760E+03 0.78195E-02 -0.89417E-03 5410 0.206E-01 0.180E-01 RMM: 4 -0.334257795195E+03 0.22857E-03 -0.76448E-04 4781 0.553E-02 0.860E-02 RMM: 5 -0.334257750589E+03 0.44606E-04 -0.85551E-05 3650 0.257E-02 0.608E-02 RMM: 6 -0.334257730134E+03 0.20456E-04 -0.23124E-05 2555 0.145E-02 0.402E-02 RMM: 7 -0.334257734842E+03 -0.47088E-05 -0.17320E-05 2518 0.123E-02 3443 T= 6070. E= 0.67507123E+03 F= 0.62201125E+03 E0= 0.65040695E+03 EK= 0.49433E+02 SP= 0.35E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333842725126E+03 0.41501E+00 -0.11093E-01 7736 0.228E+01 0.165E-01 RMM: 2 -0.333853227648E+03 -0.10503E-01 -0.85025E-02 4754 0.712E-01 0.680E-01 RMM: 3 -0.333850064376E+03 0.31633E-02 -0.10172E-02 5781 0.190E-01 0.135E-01 RMM: 4 -0.333849917365E+03 0.14701E-03 -0.61801E-04 4648 0.587E-02 0.129E-01 RMM: 5 -0.333849841243E+03 0.76122E-04 -0.10630E-04 3626 0.290E-02 0.724E-02 RMM: 6 -0.333849806978E+03 0.34265E-04 -0.29119E-05 2787 0.170E-02 0.162E-02 RMM: 7 -0.333849809392E+03 -0.24139E-05 -0.93976E-06 2471 0.987E-03 3444 T= 5996. E= 0.67507310E+03 F= 0.62241918E+03 E0= 0.65084247E+03 EK= 0.48828E+02 SP= 0.37E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333464253998E+03 0.38555E+00 -0.10692E-01 7816 0.226E+01 0.164E-01 RMM: 2 -0.333474224265E+03 -0.99703E-02 -0.75747E-02 4972 0.675E-01 0.733E-01 RMM: 3 -0.333470632645E+03 0.35916E-02 -0.87858E-03 5701 0.183E-01 0.126E-01 RMM: 4 -0.333470450504E+03 0.18214E-03 -0.49066E-04 4775 0.479E-02 0.874E-02 RMM: 5 -0.333470395666E+03 0.54838E-04 -0.64872E-05 3366 0.239E-02 0.553E-02 RMM: 6 -0.333470379250E+03 0.16416E-04 -0.21818E-05 2525 0.140E-02 3445 T= 5928. E= 0.67507468E+03 F= 0.62279861E+03 E0= 0.65125194E+03 EK= 0.48271E+02 SP= 0.39E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333121450295E+03 0.34895E+00 -0.10569E-01 7648 0.225E+01 0.147E-01 RMM: 2 -0.333132186656E+03 -0.10736E-01 -0.83240E-02 4786 0.696E-01 0.705E-01 RMM: 3 -0.333128800155E+03 0.33865E-02 -0.10055E-02 5728 0.191E-01 0.144E-01 RMM: 4 -0.333128560335E+03 0.23982E-03 -0.51780E-04 4872 0.492E-02 0.679E-02 RMM: 5 -0.333128535578E+03 0.24758E-04 -0.64813E-05 3249 0.246E-02 0.568E-02 RMM: 6 -0.333128520861E+03 0.14717E-04 -0.23772E-05 2537 0.148E-02 3446 T= 5867. E= 0.67507559E+03 F= 0.62314047E+03 E0= 0.65162451E+03 EK= 0.47774E+02 SP= 0.41E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332819684814E+03 0.30885E+00 -0.10242E-01 7832 0.224E+01 0.354E-01 RMM: 2 -0.332855076357E+03 -0.35392E-01 -0.89327E-02 4882 0.760E-01 0.204E+00 RMM: 3 -0.332825924721E+03 0.29152E-01 -0.15406E-02 5343 0.308E-01 0.307E-01 RMM: 4 -0.332825220981E+03 0.70374E-03 -0.17774E-03 4913 0.865E-02 0.871E-02 RMM: 5 -0.332825239070E+03 -0.18090E-04 -0.21216E-04 3915 0.334E-02 0.109E-01 RMM: 6 -0.332825163569E+03 0.75501E-04 -0.43201E-05 3095 0.198E-02 0.424E-02 RMM: 7 -0.332825158124E+03 0.54456E-05 -0.16056E-05 2503 0.124E-02 3447 T= 5813. E= 0.67507587E+03 F= 0.62344383E+03 E0= 0.65195790E+03 EK= 0.47337E+02 SP= 0.43E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332547419431E+03 0.27774E+00 -0.96963E-02 7736 0.223E+01 0.235E-01 RMM: 2 -0.332566758704E+03 -0.19339E-01 -0.74728E-02 4909 0.644E-01 0.137E+00 RMM: 3 -0.332553443277E+03 0.13315E-01 -0.10482E-02 5365 0.238E-01 0.245E-01 RMM: 4 -0.332553058715E+03 0.38456E-03 -0.11553E-03 4727 0.714E-02 0.993E-02 RMM: 5 -0.332553053077E+03 0.56379E-05 -0.15913E-04 3885 0.326E-02 3448 T= 5766. E= 0.67507660E+03 F= 0.62371594E+03 E0= 0.65225823E+03 EK= 0.46956E+02 SP= 0.44E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332294165862E+03 0.25889E+00 -0.10155E-01 7976 0.222E+01 0.190E-01 RMM: 2 -0.332309638588E+03 -0.15473E-01 -0.84052E-02 4943 0.686E-01 0.111E+00 RMM: 3 -0.332301186082E+03 0.84525E-02 -0.10207E-02 5480 0.213E-01 0.173E-01 RMM: 4 -0.332300940125E+03 0.24596E-03 -0.81030E-04 5324 0.531E-02 0.715E-02 RMM: 5 -0.332300895179E+03 0.44946E-04 -0.63386E-05 3263 0.243E-02 0.592E-02 RMM: 6 -0.332300885448E+03 0.97310E-05 -0.24044E-05 2527 0.147E-02 3449 T= 5725. E= 0.67507791E+03 F= 0.62396810E+03 E0= 0.65253600E+03 EK= 0.46622E+02 SP= 0.45E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332056560586E+03 0.24433E+00 -0.97598E-02 7872 0.222E+01 0.240E-01 RMM: 2 -0.332073778933E+03 -0.17218E-01 -0.75799E-02 4787 0.661E-01 0.129E+00 RMM: 3 -0.332062536045E+03 0.11243E-01 -0.10684E-02 5405 0.236E-01 0.215E-01 RMM: 4 -0.332062206776E+03 0.32927E-03 -0.10356E-03 4739 0.652E-02 0.867E-02 RMM: 5 -0.332062181992E+03 0.24783E-04 -0.12331E-04 3881 0.277E-02 0.764E-02 RMM: 6 -0.332062147160E+03 0.34832E-04 -0.23611E-05 2618 0.148E-02 0.373E-02 RMM: 7 -0.332062147079E+03 0.81423E-07 -0.12140E-05 2484 0.114E-02 3450 T= 5689. E= 0.67507823E+03 F= 0.62420684E+03 E0= 0.65279658E+03 EK= 0.46327E+02 SP= 0.45E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331832836423E+03 0.22931E+00 -0.97709E-02 8192 0.221E+01 0.282E-01 RMM: 2 -0.331853975390E+03 -0.21139E-01 -0.76271E-02 4909 0.668E-01 0.151E+00 RMM: 3 -0.331838650983E+03 0.15324E-01 -0.11366E-02 5385 0.251E-01 0.288E-01 RMM: 4 -0.331838070424E+03 0.58056E-03 -0.13621E-03 4733 0.789E-02 0.101E-01 RMM: 5 -0.331838081276E+03 -0.10852E-04 -0.18924E-04 3886 0.341E-02 3451 T= 5658. E= 0.67507987E+03 F= 0.62443091E+03 E0= 0.65303874E+03 EK= 0.46075E+02 SP= 0.46E+01 SK= 0.61E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331634055647E+03 0.20401E+00 -0.10357E-01 7928 0.221E+01 0.169E-01 RMM: 2 -0.331647166675E+03 -0.13111E-01 -0.79854E-02 5019 0.642E-01 0.945E-01 RMM: 3 -0.331640688005E+03 0.64787E-02 -0.88553E-03 5531 0.195E-01 0.167E-01 RMM: 4 -0.331640458075E+03 0.22993E-03 -0.65021E-04 5165 0.491E-02 0.761E-02 RMM: 5 -0.331640412043E+03 0.46032E-04 -0.59897E-05 3241 0.224E-02 0.643E-02 RMM: 6 -0.331640396972E+03 0.15072E-04 -0.26884E-05 2560 0.156E-02 3452 T= 5634. E= 0.67508232E+03 F= 0.62462859E+03 E0= 0.65325017E+03 EK= 0.45879E+02 SP= 0.46E+01 SK= 0.47E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331486382471E+03 0.15403E+00 -0.10275E-01 7840 0.221E+01 0.301E-01 RMM: 2 -0.331513345647E+03 -0.26963E-01 -0.76664E-02 4829 0.662E-01 0.175E+00 RMM: 3 -0.331492004030E+03 0.21342E-01 -0.12706E-02 5373 0.270E-01 0.253E-01 RMM: 4 -0.331491556275E+03 0.44775E-03 -0.13918E-03 4796 0.735E-02 0.876E-02 RMM: 5 -0.331491546296E+03 0.99784E-05 -0.15432E-04 3872 0.302E-02 3453 T= 5619. E= 0.67508502E+03 F= 0.62477744E+03 E0= 0.65340924E+03 EK= 0.45760E+02 SP= 0.45E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331413235819E+03 0.78320E-01 -0.10399E-01 7896 0.221E+01 0.284E-01 RMM: 2 -0.331440123632E+03 -0.26888E-01 -0.93128E-02 4927 0.713E-01 0.168E+00 RMM: 3 -0.331420649474E+03 0.19474E-01 -0.13659E-02 5385 0.271E-01 0.270E-01 RMM: 4 -0.331420119704E+03 0.52977E-03 -0.14159E-03 4793 0.748E-02 0.921E-02 RMM: 5 -0.331420082997E+03 0.36708E-04 -0.15486E-04 3943 0.311E-02 0.831E-02 RMM: 6 -0.331420040820E+03 0.42177E-04 -0.30673E-05 2761 0.164E-02 0.482E-02 RMM: 7 -0.331420043775E+03 -0.29551E-05 -0.22415E-05 2553 0.147E-02 3454 T= 5618. E= 0.67508757E+03 F= 0.62484895E+03 E0= 0.65348810E+03 EK= 0.45748E+02 SP= 0.45E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331445211106E+03 -0.25170E-01 -0.10386E-01 7640 0.221E+01 0.206E-01 RMM: 2 -0.331460752517E+03 -0.15541E-01 -0.97304E-02 4773 0.724E-01 0.101E+00 RMM: 3 -0.331453434526E+03 0.73180E-02 -0.11493E-02 5608 0.213E-01 0.199E-01 RMM: 4 -0.331453088491E+03 0.34604E-03 -0.86873E-04 4704 0.641E-02 0.894E-02 RMM: 5 -0.331453094718E+03 -0.62272E-05 -0.13442E-04 3837 0.287E-02 3455 T= 5633. E= 0.67508874E+03 F= 0.62481589E+03 E0= 0.65346118E+03 EK= 0.45868E+02 SP= 0.44E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331598297545E+03 -0.14521E+00 -0.10067E-01 7672 0.222E+01 0.165E-01 RMM: 2 -0.331611852795E+03 -0.13555E-01 -0.93601E-02 4926 0.709E-01 0.870E-01 RMM: 3 -0.331606484824E+03 0.53680E-02 -0.10819E-02 5798 0.197E-01 0.153E-01 RMM: 4 -0.331606210973E+03 0.27385E-03 -0.57680E-04 4625 0.532E-02 0.815E-02 RMM: 5 -0.331606167762E+03 0.43212E-04 -0.80732E-05 3687 0.234E-02 0.662E-02 RMM: 6 -0.331606151825E+03 0.15936E-04 -0.25442E-05 2558 0.152E-02 3456 T= 5666. E= 0.67508912E+03 F= 0.62466284E+03 E0= 0.65331329E+03 EK= 0.46137E+02 SP= 0.42E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331869077587E+03 -0.26291E+00 -0.10494E-01 7624 0.223E+01 0.239E-01 RMM: 2 -0.331891048221E+03 -0.21971E-01 -0.10923E-01 4768 0.772E-01 0.135E+00 RMM: 3 -0.331878413015E+03 0.12635E-01 -0.13902E-02 5480 0.249E-01 0.219E-01 RMM: 4 -0.331878031532E+03 0.38148E-03 -0.12211E-03 5021 0.671E-02 0.803E-02 RMM: 5 -0.331878005309E+03 0.26223E-04 -0.13831E-04 3927 0.295E-02 0.742E-02 RMM: 6 -0.331877973928E+03 0.31381E-04 -0.29924E-05 2793 0.160E-02 0.451E-02 RMM: 7 -0.331877984047E+03 -0.10120E-04 -0.22325E-05 2539 0.148E-02 3457 T= 5716. E= 0.67508722E+03 F= 0.62439101E+03 E0= 0.65304757E+03 EK= 0.46551E+02 SP= 0.41E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332236079606E+03 -0.35811E+00 -0.10135E-01 7728 0.224E+01 0.312E-01 RMM: 2 -0.332259960071E+03 -0.23880E-01 -0.99128E-02 4874 0.757E-01 0.154E+00 RMM: 3 -0.332243793292E+03 0.16167E-01 -0.13796E-02 5393 0.272E-01 0.337E-01 RMM: 4 -0.332242990540E+03 0.80275E-03 -0.16554E-03 4800 0.869E-02 0.101E-01 RMM: 5 -0.332243068844E+03 -0.78303E-04 -0.27622E-04 3900 0.408E-02 0.149E-01 RMM: 6 -0.332242922070E+03 0.14677E-03 -0.85837E-05 3576 0.270E-02 0.368E-02 RMM: 7 -0.332242916757E+03 0.53136E-05 -0.16756E-05 2529 0.121E-02 3458 T= 5782. E= 0.67508369E+03 F= 0.62402607E+03 E0= 0.65268985E+03 EK= 0.47084E+02 SP= 0.39E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332640737349E+03 -0.39782E+00 -0.10640E-01 7968 0.225E+01 0.237E-01 RMM: 2 -0.332660173857E+03 -0.19437E-01 -0.10903E-01 4936 0.757E-01 0.121E+00 RMM: 3 -0.332649881465E+03 0.10292E-01 -0.13117E-02 5519 0.240E-01 0.221E-01 RMM: 4 -0.332649468106E+03 0.41336E-03 -0.10837E-03 4938 0.653E-02 0.863E-02 RMM: 5 -0.332649433813E+03 0.34293E-04 -0.13545E-04 3912 0.296E-02 0.759E-02 RMM: 6 -0.332649396062E+03 0.37751E-04 -0.29704E-05 2782 0.162E-02 0.394E-02 RMM: 7 -0.332649400536E+03 -0.44736E-05 -0.21704E-05 2540 0.142E-02 3459 T= 5856. E= 0.67507886E+03 F= 0.62361959E+03 E0= 0.65229229E+03 EK= 0.47685E+02 SP= 0.37E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333017492017E+03 -0.36810E+00 -0.10650E-01 8040 0.227E+01 0.202E-01 RMM: 2 -0.333032856418E+03 -0.15364E-01 -0.10667E-01 4839 0.758E-01 0.940E-01 RMM: 3 -0.333026672259E+03 0.61842E-02 -0.12791E-02 5737 0.220E-01 0.180E-01 RMM: 4 -0.333026318978E+03 0.35328E-03 -0.82961E-04 4887 0.608E-02 0.866E-02 RMM: 5 -0.333026302251E+03 0.16727E-04 -0.11633E-04 3784 0.285E-02 3460 T= 5929. E= 0.67507416E+03 F= 0.62324269E+03 E0= 0.65192621E+03 EK= 0.48280E+02 SP= 0.34E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333287895661E+03 -0.26158E+00 -0.10742E-01 7960 0.228E+01 0.124E-01 RMM: 2 -0.333299756316E+03 -0.11861E-01 -0.10773E-01 4908 0.728E-01 0.523E-01 RMM: 3 -0.333297498873E+03 0.22574E-02 -0.11605E-02 6256 0.190E-01 0.120E-01 RMM: 4 -0.333297228381E+03 0.27049E-03 -0.42211E-04 4495 0.490E-02 0.963E-02 RMM: 5 -0.333297168121E+03 0.60261E-04 -0.59148E-05 3252 0.236E-02 0.653E-02 RMM: 6 -0.333297160471E+03 0.76501E-05 -0.28006E-05 2585 0.155E-02 3461 T= 5992. E= 0.67507007E+03 F= 0.62297183E+03 E0= 0.65166663E+03 EK= 0.48793E+02 SP= 0.31E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333386632280E+03 -0.89464E-01 -0.11372E-01 8000 0.229E+01 0.303E-01 RMM: 2 -0.333417893845E+03 -0.31262E-01 -0.11539E-01 4748 0.787E-01 0.178E+00 RMM: 3 -0.333395790683E+03 0.22103E-01 -0.15633E-02 5415 0.284E-01 0.255E-01 RMM: 4 -0.333395335371E+03 0.45531E-03 -0.16805E-03 4961 0.787E-02 0.910E-02 RMM: 5 -0.333395333883E+03 0.14886E-05 -0.18770E-04 3927 0.335E-02 3462 T= 6036. E= 0.67506711E+03 F= 0.62287366E+03 E0= 0.65158013E+03 EK= 0.49155E+02 SP= 0.29E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333264488460E+03 0.13085E+00 -0.11255E-01 7888 0.230E+01 0.250E-01 RMM: 2 -0.333291542685E+03 -0.27054E-01 -0.11551E-01 4960 0.759E-01 0.157E+00 RMM: 3 -0.333274014544E+03 0.17528E-01 -0.14204E-02 5438 0.262E-01 0.218E-01 RMM: 4 -0.333273677884E+03 0.33666E-03 -0.13756E-03 4967 0.725E-02 0.117E-01 RMM: 5 -0.333273594828E+03 0.83056E-04 -0.15367E-04 3914 0.322E-02 0.822E-02 RMM: 6 -0.333273559257E+03 0.35570E-04 -0.35422E-05 2843 0.176E-02 0.547E-02 RMM: 7 -0.333273570684E+03 -0.11427E-04 -0.38025E-05 2847 0.176E-02 3463 T= 6056. E= 0.67506631E+03 F= 0.62299542E+03 E0= 0.65171093E+03 EK= 0.49317E+02 SP= 0.26E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332907084967E+03 0.36647E+00 -0.11007E-01 7872 0.230E+01 0.199E-01 RMM: 2 -0.332923609994E+03 -0.16525E-01 -0.10588E-01 4939 0.716E-01 0.102E+00 RMM: 3 -0.332915932367E+03 0.76776E-02 -0.11702E-02 5636 0.210E-01 0.174E-01 RMM: 4 -0.332915649866E+03 0.28250E-03 -0.80560E-04 4752 0.606E-02 0.102E-01 RMM: 5 -0.332915599304E+03 0.50563E-04 -0.10941E-04 3815 0.258E-02 0.685E-02 RMM: 6 -0.332915569500E+03 0.29803E-04 -0.25906E-05 2723 0.157E-02 0.197E-02 RMM: 7 -0.332915573936E+03 -0.44357E-05 -0.10999E-05 2484 0.108E-02 3464 T= 6049. E= 0.67506787E+03 F= 0.62335342E+03 E0= 0.65207401E+03 EK= 0.49261E+02 SP= 0.22E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332332331728E+03 0.58324E+00 -0.11450E-01 7896 0.229E+01 0.157E-01 RMM: 2 -0.332345872268E+03 -0.13541E-01 -0.11168E-01 4867 0.747E-01 0.717E-01 RMM: 3 -0.332342002298E+03 0.38700E-02 -0.12340E-02 6015 0.203E-01 0.123E-01 RMM: 4 -0.332341739590E+03 0.26271E-03 -0.54267E-04 4727 0.523E-02 0.107E-01 RMM: 5 -0.332341648505E+03 0.91085E-04 -0.80251E-05 3520 0.258E-02 0.505E-02 RMM: 6 -0.332341637597E+03 0.10907E-04 -0.22909E-05 2540 0.138E-02 3465 T= 6018. E= 0.67507221E+03 F= 0.62392735E+03 E0= 0.65264669E+03 EK= 0.49007E+02 SP= 0.19E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331598800422E+03 0.74285E+00 -0.11282E-01 7952 0.228E+01 0.191E-01 RMM: 2 -0.331616314059E+03 -0.17514E-01 -0.10247E-01 4906 0.725E-01 0.111E+00 RMM: 3 -0.331607563823E+03 0.87502E-02 -0.11983E-02 5679 0.215E-01 0.164E-01 RMM: 4 -0.331607272448E+03 0.29137E-03 -0.75175E-04 4854 0.571E-02 0.783E-02 RMM: 5 -0.331607232296E+03 0.40152E-04 -0.88922E-05 3774 0.247E-02 0.608E-02 RMM: 6 -0.331607218104E+03 0.14193E-04 -0.24910E-05 2574 0.149E-02 3466 T= 5969. E= 0.67507876E+03 F= 0.62466177E+03 E0= 0.65337303E+03 EK= 0.48609E+02 SP= 0.15E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330791497119E+03 0.81574E+00 -0.10739E-01 7848 0.227E+01 0.316E-01 RMM: 2 -0.330821388424E+03 -0.29891E-01 -0.98455E-02 4945 0.741E-01 0.179E+00 RMM: 3 -0.330799162010E+03 0.22226E-01 -0.14623E-02 5386 0.284E-01 0.335E-01 RMM: 4 -0.330798365846E+03 0.79616E-03 -0.17079E-03 4805 0.857E-02 0.834E-02 RMM: 5 -0.330798346777E+03 0.19070E-04 -0.20104E-04 4030 0.318E-02 0.930E-02 RMM: 6 -0.330798292390E+03 0.54387E-04 -0.38031E-05 2971 0.187E-02 0.423E-02 RMM: 7 -0.330798301324E+03 -0.89339E-05 -0.21901E-05 2548 0.142E-02 3467 T= 5913. E= 0.67508643E+03 F= 0.62547069E+03 E0= 0.65416602E+03 EK= 0.48154E+02 SP= 0.12E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330012112217E+03 0.78618E+00 -0.10002E-01 7808 0.227E+01 0.304E-01 RMM: 2 -0.330038438907E+03 -0.26327E-01 -0.10251E-01 4896 0.758E-01 0.162E+00 RMM: 3 -0.330020358376E+03 0.18081E-01 -0.14490E-02 5387 0.279E-01 0.334E-01 RMM: 4 -0.330019565852E+03 0.79252E-03 -0.16844E-03 4843 0.854E-02 0.880E-02 RMM: 5 -0.330019597966E+03 -0.32114E-04 -0.23010E-04 3913 0.362E-02 0.120E-01 RMM: 6 -0.330019505192E+03 0.92774E-04 -0.59722E-05 3345 0.225E-02 0.357E-02 RMM: 7 -0.330019501706E+03 0.34856E-05 -0.14812E-05 2508 0.119E-02 3468 T= 5863. E= 0.67509482E+03 F= 0.62624949E+03 E0= 0.65492201E+03 EK= 0.47747E+02 SP= 0.75E+00 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329372442680E+03 0.64706E+00 -0.98377E-02 7744 0.226E+01 0.272E-01 RMM: 2 -0.329395813276E+03 -0.23371E-01 -0.99869E-02 4928 0.751E-01 0.150E+00 RMM: 3 -0.329380604429E+03 0.15209E-01 -0.13078E-02 5412 0.257E-01 0.279E-01 RMM: 4 -0.329380025946E+03 0.57848E-03 -0.12962E-03 4822 0.723E-02 0.839E-02 RMM: 5 -0.329379994731E+03 0.31215E-04 -0.16452E-04 3902 0.326E-02 0.813E-02 RMM: 6 -0.329379950536E+03 0.44195E-04 -0.36512E-05 2940 0.179E-02 0.403E-02 RMM: 7 -0.329379956198E+03 -0.56622E-05 -0.24877E-05 2573 0.149E-02 3469 T= 5833. E= 0.67510206E+03 F= 0.62688903E+03 E0= 0.65553395E+03 EK= 0.47498E+02 SP= 0.33E+00 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328968172712E+03 0.41178E+00 -0.98018E-02 7992 0.226E+01 0.216E-01 RMM: 2 -0.328983209606E+03 -0.15037E-01 -0.88188E-02 4876 0.716E-01 0.106E+00 RMM: 3 -0.328975463964E+03 0.77456E-02 -0.10667E-02 5493 0.223E-01 0.199E-01 RMM: 4 -0.328975154908E+03 0.30906E-03 -0.88089E-04 4849 0.608E-02 0.727E-02 RMM: 5 -0.328975149668E+03 0.52404E-05 -0.11768E-04 3773 0.284E-02 3470 T= 5833. E= 0.67510749E+03 F= 0.62729384E+03 E0= 0.65590811E+03 EK= 0.47503E+02 SP= -.12E+00 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328859274776E+03 0.11588E+00 -0.10524E-01 7656 0.226E+01 0.147E-01 RMM: 2 -0.328872943355E+03 -0.13669E-01 -0.11327E-01 4787 0.804E-01 0.710E-01 RMM: 3 -0.328869475356E+03 0.34680E-02 -0.13531E-02 6028 0.208E-01 0.160E-01 RMM: 4 -0.328869065332E+03 0.41002E-03 -0.54277E-04 4883 0.547E-02 0.774E-02 RMM: 5 -0.328869028033E+03 0.37299E-04 -0.74759E-05 3460 0.247E-02 0.692E-02 RMM: 6 -0.328869011793E+03 0.16240E-04 -0.25419E-05 2546 0.151E-02 3471 T= 5873. E= 0.67511017E+03 F= 0.62739998E+03 E0= 0.65598412E+03 EK= 0.47829E+02 SP= -.60E+00 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329076290839E+03 -0.20726E+00 -0.99221E-02 7576 0.228E+01 0.300E-01 RMM: 2 -0.329105536745E+03 -0.29246E-01 -0.93479E-02 4837 0.745E-01 0.179E+00 RMM: 3 -0.329083442662E+03 0.22094E-01 -0.14076E-02 5356 0.283E-01 0.239E-01 RMM: 4 -0.329083055571E+03 0.38709E-03 -0.14947E-03 4945 0.722E-02 0.817E-02 RMM: 5 -0.329083060101E+03 -0.45296E-05 -0.15530E-04 3850 0.332E-02 3472 T= 5955. E= 0.67510983E+03 F= 0.62718593E+03 E0= 0.65574254E+03 EK= 0.48498E+02 SP= -.11E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329584070943E+03 -0.50102E+00 -0.10082E-01 7648 0.230E+01 0.296E-01 RMM: 2 -0.329612527432E+03 -0.28456E-01 -0.10405E-01 5024 0.790E-01 0.172E+00 RMM: 3 -0.329592165797E+03 0.20362E-01 -0.14399E-02 5376 0.283E-01 0.287E-01 RMM: 4 -0.329591584439E+03 0.58136E-03 -0.14858E-03 4855 0.774E-02 0.902E-02 RMM: 5 -0.329591566003E+03 0.18436E-04 -0.18203E-04 3901 0.341E-02 3473 T= 6077. E= 0.67510713E+03 F= 0.62667742E+03 E0= 0.65521032E+03 EK= 0.49486E+02 SP= -.16E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330316918593E+03 -0.72533E+00 -0.10716E-01 7808 0.232E+01 0.201E-01 RMM: 2 -0.330333874919E+03 -0.16956E-01 -0.10023E-01 4821 0.766E-01 0.111E+00 RMM: 3 -0.330325536324E+03 0.83386E-02 -0.12028E-02 5512 0.233E-01 0.208E-01 RMM: 4 -0.330325198122E+03 0.33820E-03 -0.89668E-04 5124 0.593E-02 0.754E-02 RMM: 5 -0.330325154828E+03 0.43294E-04 -0.99647E-05 3740 0.288E-02 0.673E-02 RMM: 6 -0.330325145951E+03 0.88771E-05 -0.31173E-05 2693 0.162E-02 3474 T= 6229. E= 0.67510125E+03 F= 0.62594384E+03 E0= 0.65446069E+03 EK= 0.50723E+02 SP= -.22E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331174051714E+03 -0.84890E+00 -0.10867E-01 7856 0.236E+01 0.263E-01 RMM: 2 -0.331199888830E+03 -0.25837E-01 -0.10239E-01 4895 0.763E-01 0.157E+00 RMM: 3 -0.331182234126E+03 0.17655E-01 -0.13693E-02 5364 0.271E-01 0.178E-01 RMM: 4 -0.331182176963E+03 0.57163E-04 -0.14570E-03 4875 0.761E-02 0.163E-01 RMM: 5 -0.331182018278E+03 0.15869E-03 -0.18880E-04 3908 0.345E-02 0.805E-02 RMM: 6 -0.331181976258E+03 0.42020E-04 -0.36263E-05 2903 0.180E-02 0.354E-02 RMM: 7 -0.331181978334E+03 -0.20756E-05 -0.21893E-05 2519 0.152E-02 3475 T= 6398. E= 0.67509346E+03 F= 0.62508701E+03 E0= 0.65359483E+03 EK= 0.52104E+02 SP= -.27E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332035293307E+03 -0.85332E+00 -0.11207E-01 7904 0.239E+01 0.326E-01 RMM: 2 -0.332065687972E+03 -0.30395E-01 -0.12269E-01 4970 0.868E-01 0.174E+00 RMM: 3 -0.332044952514E+03 0.20735E-01 -0.16812E-02 5394 0.303E-01 0.345E-01 RMM: 4 -0.332044111002E+03 0.84151E-03 -0.18380E-03 4962 0.902E-02 0.922E-02 RMM: 5 -0.332044091455E+03 0.19547E-04 -0.22969E-04 3924 0.364E-02 0.108E-01 RMM: 6 -0.332044014224E+03 0.77231E-04 -0.48505E-05 3142 0.203E-02 0.455E-02 RMM: 7 -0.332044011516E+03 0.27077E-05 -0.24779E-05 2560 0.147E-02 3476 T= 6571. E= 0.67508537E+03 F= 0.62422498E+03 E0= 0.65272986E+03 EK= 0.53509E+02 SP= -.33E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332783695973E+03 -0.73968E+00 -0.11823E-01 8416 0.242E+01 0.170E-01 RMM: 2 -0.332798776685E+03 -0.15081E-01 -0.10996E-01 5017 0.771E-01 0.880E-01 RMM: 3 -0.332793091694E+03 0.56850E-02 -0.11447E-02 5755 0.212E-01 0.169E-01 RMM: 4 -0.332792817866E+03 0.27383E-03 -0.68158E-04 4741 0.580E-02 0.917E-02 RMM: 5 -0.332792759404E+03 0.58462E-04 -0.91239E-05 3741 0.264E-02 0.666E-02 RMM: 6 -0.332792743982E+03 0.15422E-04 -0.22080E-05 2541 0.138E-02 3477 T= 6731. E= 0.67507880E+03 F= 0.62347625E+03 E0= 0.65198395E+03 EK= 0.54813E+02 SP= -.38E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333317843753E+03 -0.52508E+00 -0.13028E-01 8224 0.245E+01 0.237E-01 RMM: 2 -0.333339023693E+03 -0.21180E-01 -0.13586E-01 4874 0.871E-01 0.117E+00 RMM: 3 -0.333329221140E+03 0.98026E-02 -0.15809E-02 5546 0.267E-01 0.211E-01 RMM: 4 -0.333328838700E+03 0.38244E-03 -0.11680E-03 5080 0.691E-02 0.953E-02 RMM: 5 -0.333328774268E+03 0.64432E-04 -0.12516E-04 3937 0.301E-02 0.767E-02 RMM: 6 -0.333328752638E+03 0.21631E-04 -0.26995E-05 2562 0.155E-02 0.635E-02 RMM: 7 -0.333328751821E+03 0.81618E-06 -0.45778E-05 2990 0.190E-02 3478 T= 6865. E= 0.67507371E+03 F= 0.62294024E+03 E0= 0.65145515E+03 EK= 0.55909E+02 SP= -.43E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333574843035E+03 -0.24609E+00 -0.13108E-01 8240 0.247E+01 0.237E-01 RMM: 2 -0.333593170679E+03 -0.18328E-01 -0.12701E-01 4850 0.847E-01 0.105E+00 RMM: 3 -0.333585372872E+03 0.77978E-02 -0.15081E-02 5652 0.256E-01 0.203E-01 RMM: 4 -0.333585077450E+03 0.29542E-03 -0.11341E-03 4792 0.735E-02 0.149E-01 RMM: 5 -0.333584965713E+03 0.11174E-03 -0.18711E-04 3903 0.370E-02 0.928E-02 RMM: 6 -0.333584910208E+03 0.55504E-04 -0.48429E-05 3155 0.204E-02 0.398E-02 RMM: 7 -0.333584916053E+03 -0.58447E-05 -0.24309E-05 2561 0.154E-02 3479 T= 6965. E= 0.67507197E+03 F= 0.62268407E+03 E0= 0.65120796E+03 EK= 0.56723E+02 SP= -.49E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333527992369E+03 0.56918E-01 -0.13891E-01 8496 0.248E+01 0.193E-01 RMM: 2 -0.333546447932E+03 -0.18456E-01 -0.13267E-01 4892 0.844E-01 0.984E-01 RMM: 3 -0.333539276908E+03 0.71710E-02 -0.14395E-02 5754 0.245E-01 0.178E-01 RMM: 4 -0.333538959846E+03 0.31706E-03 -0.81483E-04 4980 0.614E-02 0.942E-02 RMM: 5 -0.333538895773E+03 0.64073E-04 -0.10442E-04 3763 0.292E-02 0.686E-02 RMM: 6 -0.333538879064E+03 0.16710E-04 -0.28515E-05 2587 0.157E-02 3480 T= 7027. E= 0.67507374E+03 F= 0.62273011E+03 E0= 0.65126133E+03 EK= 0.57226E+02 SP= -.54E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333203816924E+03 0.33508E+00 -0.14364E-01 8200 0.248E+01 0.259E-01 RMM: 2 -0.333233746756E+03 -0.29930E-01 -0.15255E-01 4840 0.917E-01 0.153E+00 RMM: 3 -0.333216761398E+03 0.16985E-01 -0.18480E-02 5459 0.299E-01 0.244E-01 RMM: 4 -0.333216311647E+03 0.44975E-03 -0.15651E-03 5253 0.773E-02 0.940E-02 RMM: 5 -0.333216263261E+03 0.48386E-04 -0.14759E-04 3951 0.318E-02 0.854E-02 RMM: 6 -0.333216229432E+03 0.33830E-04 -0.33395E-05 2704 0.170E-02 0.680E-02 RMM: 7 -0.333216251907E+03 -0.22475E-04 -0.60231E-05 3381 0.216E-02 0.951E-02 RMM: 8 -0.333216194293E+03 0.57613E-04 -0.11808E-04 3886 0.236E-02 0.439E-02 RMM: 9 -0.333216184234E+03 0.10059E-04 -0.17177E-05 2554 0.114E-02 3481 T= 7053. E= 0.67507839E+03 F= 0.62305281E+03 E0= 0.65159059E+03 EK= 0.57437E+02 SP= -.59E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332673380640E+03 0.54281E+00 -0.14283E-01 8240 0.248E+01 0.300E-01 RMM: 2 -0.332702249744E+03 -0.28869E-01 -0.14555E-01 4858 0.895E-01 0.156E+00 RMM: 3 -0.332684860626E+03 0.17389E-01 -0.17204E-02 5458 0.296E-01 0.255E-01 RMM: 4 -0.332684536468E+03 0.32416E-03 -0.17963E-03 5144 0.926E-02 0.177E-01 RMM: 5 -0.332684459767E+03 0.76701E-04 -0.25731E-04 3899 0.379E-02 0.154E-01 RMM: 6 -0.332684299806E+03 0.15996E-03 -0.82414E-05 3564 0.259E-02 0.364E-02 RMM: 7 -0.332684307850E+03 -0.80440E-05 -0.24761E-05 2573 0.148E-02 3482 T= 7051. E= 0.67508469E+03 F= 0.62358468E+03 E0= 0.65212648E+03 EK= 0.57418E+02 SP= -.63E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332020777192E+03 0.66352E+00 -0.14428E-01 8224 0.247E+01 0.211E-01 RMM: 2 -0.332041157608E+03 -0.20380E-01 -0.14317E-01 4917 0.887E-01 0.105E+00 RMM: 3 -0.332033097620E+03 0.80600E-02 -0.15850E-02 5704 0.259E-01 0.218E-01 RMM: 4 -0.332032673631E+03 0.42399E-03 -0.95979E-04 4944 0.670E-02 0.835E-02 RMM: 5 -0.332032642486E+03 0.31145E-04 -0.12231E-04 4111 0.290E-02 0.767E-02 RMM: 6 -0.332032616925E+03 0.25562E-04 -0.25998E-05 2559 0.151E-02 0.551E-02 RMM: 7 -0.332032627917E+03 -0.10992E-04 -0.44881E-05 3071 0.193E-02 3483 T= 7031. E= 0.67509120E+03 F= 0.62423636E+03 E0= 0.65278099E+03 EK= 0.57256E+02 SP= -.68E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331337322485E+03 0.69529E+00 -0.13825E-01 8032 0.246E+01 0.173E-01 RMM: 2 -0.331352984264E+03 -0.15662E-01 -0.13238E-01 4838 0.848E-01 0.733E-01 RMM: 3 -0.331348766777E+03 0.42175E-02 -0.14186E-02 5934 0.232E-01 0.158E-01 RMM: 4 -0.331348493151E+03 0.27363E-03 -0.71217E-04 4743 0.639E-02 0.112E-01 RMM: 5 -0.331348409673E+03 0.83478E-04 -0.10662E-04 3660 0.286E-02 0.629E-02 RMM: 6 -0.331348391064E+03 0.18609E-04 -0.24601E-05 2558 0.148E-02 3484 T= 7004. E= 0.67509613E+03 F= 0.62492060E+03 E0= 0.65346679E+03 EK= 0.57037E+02 SP= -.72E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330679131072E+03 0.66928E+00 -0.13590E-01 7968 0.246E+01 0.233E-01 RMM: 2 -0.330700960231E+03 -0.21829E-01 -0.13538E-01 4996 0.847E-01 0.120E+00 RMM: 3 -0.330690552079E+03 0.10408E-01 -0.14443E-02 5566 0.252E-01 0.220E-01 RMM: 4 -0.330690151023E+03 0.40106E-03 -0.10281E-03 4899 0.665E-02 0.884E-02 RMM: 5 -0.330690106832E+03 0.44191E-04 -0.12397E-04 3974 0.293E-02 0.771E-02 RMM: 6 -0.330690083435E+03 0.23397E-04 -0.27708E-05 2600 0.155E-02 0.632E-02 RMM: 7 -0.330690100172E+03 -0.16737E-04 -0.44057E-05 3081 0.184E-02 3485 T= 6977. E= 0.67509810E+03 F= 0.62557889E+03 E0= 0.65412714E+03 EK= 0.56817E+02 SP= -.76E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330067416462E+03 0.62267E+00 -0.13589E-01 8216 0.246E+01 0.230E-01 RMM: 2 -0.330086147110E+03 -0.18731E-01 -0.13127E-01 4954 0.831E-01 0.103E+00 RMM: 3 -0.330078252664E+03 0.78944E-02 -0.13418E-02 5562 0.245E-01 0.237E-01 RMM: 4 -0.330077863286E+03 0.38938E-03 -0.11115E-03 4790 0.732E-02 0.116E-01 RMM: 5 -0.330077842960E+03 0.20326E-04 -0.17166E-04 3884 0.337E-02 0.109E-01 RMM: 6 -0.330077767644E+03 0.75317E-04 -0.50860E-05 3221 0.212E-02 0.369E-02 RMM: 7 -0.330077775510E+03 -0.78669E-05 -0.19803E-05 2536 0.140E-02 3486 T= 6953. E= 0.67509816E+03 F= 0.62619121E+03 E0= 0.65474221E+03 EK= 0.56621E+02 SP= -.80E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329491629548E+03 0.58614E+00 -0.13764E-01 8584 0.246E+01 0.229E-01 RMM: 2 -0.329512216401E+03 -0.20587E-01 -0.13920E-01 5142 0.836E-01 0.110E+00 RMM: 3 -0.329503293490E+03 0.89229E-02 -0.14151E-02 5688 0.244E-01 0.215E-01 RMM: 4 -0.329502928898E+03 0.36459E-03 -0.99244E-04 4767 0.676E-02 0.106E-01 RMM: 5 -0.329502863951E+03 0.64947E-04 -0.13981E-04 3886 0.290E-02 0.861E-02 RMM: 6 -0.329502825828E+03 0.38122E-04 -0.31765E-05 2821 0.169E-02 0.552E-02 RMM: 7 -0.329502830391E+03 -0.45624E-05 -0.29573E-05 2617 0.157E-02 3487 T= 6931. E= 0.67509689E+03 F= 0.62676616E+03 E0= 0.65532183E+03 EK= 0.56441E+02 SP= -.84E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328928877811E+03 0.57395E+00 -0.14535E-01 8888 0.246E+01 0.190E-01 RMM: 2 -0.328945796771E+03 -0.16919E-01 -0.14153E-01 5134 0.832E-01 0.768E-01 RMM: 3 -0.328940935748E+03 0.48610E-02 -0.13866E-02 5894 0.233E-01 0.142E-01 RMM: 4 -0.328940736845E+03 0.19890E-03 -0.76573E-04 4967 0.581E-02 0.112E-01 RMM: 5 -0.328940661417E+03 0.75428E-04 -0.10556E-04 3658 0.268E-02 0.659E-02 RMM: 6 -0.328940646847E+03 0.14570E-04 -0.26359E-05 2599 0.154E-02 3488 T= 6908. E= 0.67509571E+03 F= 0.62732834E+03 E0= 0.65589213E+03 EK= 0.56255E+02 SP= -.87E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328353535405E+03 0.58713E+00 -0.16181E-01 8848 0.246E+01 0.254E-01 RMM: 2 -0.328380404146E+03 -0.26869E-01 -0.17031E-01 5094 0.906E-01 0.132E+00 RMM: 3 -0.328367913161E+03 0.12491E-01 -0.17454E-02 5562 0.276E-01 0.257E-01 RMM: 4 -0.328367397094E+03 0.51607E-03 -0.13568E-03 4899 0.766E-02 0.104E-01 RMM: 5 -0.328367342924E+03 0.54170E-04 -0.17615E-04 4098 0.309E-02 0.899E-02 RMM: 6 -0.328367307387E+03 0.35537E-04 -0.32765E-05 2807 0.170E-02 0.667E-02 RMM: 7 -0.328367321953E+03 -0.14565E-04 -0.49767E-05 3187 0.195E-02 3489 T= 6882. E= 0.67509530E+03 F= 0.62790167E+03 E0= 0.65647714E+03 EK= 0.56041E+02 SP= -.91E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327756578704E+03 0.61073E+00 -0.17478E-01 8944 0.246E+01 0.254E-01 RMM: 2 -0.327781525108E+03 -0.24946E-01 -0.17046E-01 5103 0.907E-01 0.119E+00 RMM: 3 -0.327771062214E+03 0.10463E-01 -0.18109E-02 5540 0.279E-01 0.257E-01 RMM: 4 -0.327770621441E+03 0.44077E-03 -0.14839E-03 4867 0.802E-02 0.118E-01 RMM: 5 -0.327770585483E+03 0.35958E-04 -0.22617E-04 3892 0.360E-02 0.111E-01 RMM: 6 -0.327770510711E+03 0.74773E-04 -0.60392E-05 3323 0.223E-02 0.447E-02 RMM: 7 -0.327770524363E+03 -0.13653E-04 -0.26019E-05 2604 0.156E-02 3490 T= 6851. E= 0.67509628E+03 F= 0.62849846E+03 E0= 0.65709025E+03 EK= 0.55787E+02 SP= -.94E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327140920102E+03 0.62959E+00 -0.20168E-01 8920 0.245E+01 0.225E-01 RMM: 2 -0.327168157765E+03 -0.27238E-01 -0.20766E-01 5149 0.984E-01 0.110E+00 RMM: 3 -0.327158888662E+03 0.92691E-02 -0.20188E-02 5747 0.279E-01 0.215E-01 RMM: 4 -0.327158452937E+03 0.43573E-03 -0.12440E-03 5021 0.728E-02 0.109E-01 RMM: 5 -0.327158397083E+03 0.55854E-04 -0.18057E-04 3967 0.315E-02 0.911E-02 RMM: 6 -0.327158357286E+03 0.39796E-04 -0.40490E-05 3021 0.184E-02 0.635E-02 RMM: 7 -0.327158368480E+03 -0.11194E-04 -0.77194E-05 3725 0.231E-02 3491 T= 6816. E= 0.67509858E+03 F= 0.62911062E+03 E0= 0.65772066E+03 EK= 0.55504E+02 SP= -.97E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326547023926E+03 0.61133E+00 -0.20019E-01 8976 0.245E+01 0.215E-01 RMM: 2 -0.326570587769E+03 -0.23564E-01 -0.19647E-01 5246 0.939E-01 0.896E-01 RMM: 3 -0.326563807893E+03 0.67799E-02 -0.17054E-02 5890 0.254E-01 0.183E-01 RMM: 4 -0.326563514405E+03 0.29349E-03 -0.10350E-03 4800 0.697E-02 0.142E-01 RMM: 5 -0.326563408197E+03 0.10621E-03 -0.17298E-04 3873 0.324E-02 0.864E-02 RMM: 6 -0.326563368493E+03 0.39704E-04 -0.43743E-05 3101 0.194E-02 0.482E-02 RMM: 7 -0.326563385010E+03 -0.16517E-04 -0.36981E-05 2823 0.180E-02 3492 T= 6782. E= 0.67510224E+03 F= 0.62970560E+03 E0= 0.65833492E+03 EK= 0.55225E+02 SP= -.10E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326022652750E+03 0.54072E+00 -0.20201E-01 8920 0.243E+01 0.228E-01 RMM: 2 -0.326048205340E+03 -0.25553E-01 -0.19958E-01 5388 0.933E-01 0.102E+00 RMM: 3 -0.326039559317E+03 0.86460E-02 -0.15664E-02 5871 0.247E-01 0.190E-01 RMM: 4 -0.326039250405E+03 0.30891E-03 -0.10414E-03 4759 0.714E-02 0.139E-01 RMM: 5 -0.326039148186E+03 0.10222E-03 -0.17345E-04 3868 0.321E-02 0.900E-02 RMM: 6 -0.326039107331E+03 0.40855E-04 -0.44174E-05 3111 0.196E-02 0.530E-02 RMM: 7 -0.326039129277E+03 -0.21946E-04 -0.40683E-05 2927 0.182E-02 0.842E-02 RMM: 8 -0.326039086301E+03 0.42976E-04 -0.54507E-05 3216 0.196E-02 0.319E-02 RMM: 9 -0.326039083699E+03 0.26021E-05 -0.16754E-05 2489 0.117E-02 3493 T= 6755. E= 0.67510712E+03 F= 0.63022991E+03 E0= 0.65887545E+03 EK= 0.55006E+02 SP= -.10E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325635285242E+03 0.40380E+00 -0.20557E-01 8944 0.242E+01 0.222E-01 RMM: 2 -0.325659338685E+03 -0.24053E-01 -0.20679E-01 5343 0.947E-01 0.834E-01 RMM: 3 -0.325652801720E+03 0.65370E-02 -0.15611E-02 5909 0.243E-01 0.154E-01 RMM: 4 -0.325652703440E+03 0.98280E-04 -0.96452E-04 4724 0.719E-02 0.214E-01 RMM: 5 -0.325652412132E+03 0.29131E-03 -0.20159E-04 3894 0.377E-02 0.737E-02 RMM: 6 -0.325652383189E+03 0.28942E-04 -0.48602E-05 3160 0.205E-02 0.432E-02 RMM: 7 -0.325652396162E+03 -0.12973E-04 -0.33802E-05 2682 0.169E-02 3494 T= 6743. E= 0.67511154E+03 F= 0.63061659E+03 E0= 0.65927301E+03 EK= 0.54912E+02 SP= -.11E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325450677116E+03 0.20171E+00 -0.20358E-01 8872 0.242E+01 0.235E-01 RMM: 2 -0.325475975172E+03 -0.25298E-01 -0.20618E-01 5182 0.978E-01 0.943E-01 RMM: 3 -0.325468259565E+03 0.77156E-02 -0.18305E-02 6098 0.257E-01 0.189E-01 RMM: 4 -0.325467833497E+03 0.42607E-03 -0.97912E-04 4760 0.720E-02 0.143E-01 RMM: 5 -0.325467709725E+03 0.12377E-03 -0.15533E-04 3875 0.329E-02 0.706E-02 RMM: 6 -0.325467692359E+03 0.17366E-04 -0.36254E-05 2944 0.177E-02 3495 T= 6755. E= 0.67511440E+03 F= 0.63080130E+03 E0= 0.65946203E+03 EK= 0.55009E+02 SP= -.11E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325508017862E+03 -0.40308E-01 -0.20645E-01 8816 0.242E+01 0.309E-01 RMM: 2 -0.325547363875E+03 -0.39346E-01 -0.20824E-01 5298 0.969E-01 0.172E+00 RMM: 3 -0.325525312327E+03 0.22052E-01 -0.18915E-02 5458 0.301E-01 0.297E-01 RMM: 4 -0.325524677693E+03 0.63463E-03 -0.18673E-03 4934 0.889E-02 0.129E-01 RMM: 5 -0.325524594566E+03 0.83127E-04 -0.22901E-04 3989 0.359E-02 0.949E-02 RMM: 6 -0.325524545281E+03 0.49284E-04 -0.53936E-05 3217 0.210E-02 0.567E-02 RMM: 7 -0.325524568750E+03 -0.23468E-04 -0.51752E-05 3221 0.205E-02 0.853E-02 RMM: 8 -0.325524525460E+03 0.43290E-04 -0.61320E-05 3419 0.196E-02 0.408E-02 RMM: 9 -0.325524518562E+03 0.68975E-05 -0.18452E-05 2526 0.127E-02 3496 T= 6795. E= 0.67511369E+03 F= 0.63074447E+03 E0= 0.65940355E+03 EK= 0.55336E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325799181076E+03 -0.27466E+00 -0.20743E-01 8832 0.244E+01 0.334E-01 RMM: 2 -0.325840047396E+03 -0.40866E-01 -0.22480E-01 4983 0.104E+00 0.173E+00 RMM: 3 -0.325817920222E+03 0.22127E-01 -0.22273E-02 5478 0.324E-01 0.312E-01 RMM: 4 -0.325817283397E+03 0.63683E-03 -0.23281E-03 5224 0.105E-01 0.172E-01 RMM: 5 -0.325817225261E+03 0.58136E-04 -0.33218E-04 3982 0.405E-02 0.161E-01 RMM: 6 -0.325817058691E+03 0.16657E-03 -0.98001E-05 3668 0.280E-02 0.365E-02 RMM: 7 -0.325817073787E+03 -0.15096E-04 -0.34096E-05 2883 0.166E-02 3497 T= 6862. E= 0.67510875E+03 F= 0.63045192E+03 E0= 0.65910438E+03 EK= 0.55883E+02 SP= -.11E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326270521399E+03 -0.45346E+00 -0.19529E-01 8992 0.246E+01 0.214E-01 RMM: 2 -0.326295389658E+03 -0.24868E-01 -0.19012E-01 5324 0.926E-01 0.102E+00 RMM: 3 -0.326286610634E+03 0.87790E-02 -0.14992E-02 5737 0.247E-01 0.197E-01 RMM: 4 -0.326286267929E+03 0.34271E-03 -0.10194E-03 4813 0.696E-02 0.120E-01 RMM: 5 -0.326286186403E+03 0.81525E-04 -0.14821E-04 3893 0.310E-02 0.843E-02 RMM: 6 -0.326286149909E+03 0.36494E-04 -0.38031E-05 2974 0.182E-02 0.543E-02 RMM: 7 -0.326286167010E+03 -0.17100E-04 -0.56329E-05 3334 0.209E-02 3498 T= 6949. E= 0.67510030E+03 F= 0.62998282E+03 E0= 0.65862444E+03 EK= 0.56593E+02 SP= -.12E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326811630665E+03 -0.52548E+00 -0.19212E-01 8960 0.249E+01 0.206E-01 RMM: 2 -0.326834277505E+03 -0.22647E-01 -0.19287E-01 5115 0.951E-01 0.836E-01 RMM: 3 -0.326828095866E+03 0.61816E-02 -0.16823E-02 5999 0.252E-01 0.184E-01 RMM: 4 -0.326827733126E+03 0.36274E-03 -0.93510E-04 4774 0.697E-02 0.140E-01 RMM: 5 -0.326827621247E+03 0.11188E-03 -0.15807E-04 3881 0.334E-02 0.838E-02 RMM: 6 -0.326827583183E+03 0.38064E-04 -0.42109E-05 3080 0.192E-02 0.452E-02 RMM: 7 -0.326827586383E+03 -0.31999E-05 -0.26490E-05 2559 0.159E-02 3499 T= 7043. E= 0.67509089E+03 F= 0.62944140E+03 E0= 0.65807219E+03 EK= 0.57358E+02 SP= -.12E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327302493482E+03 -0.47491E+00 -0.19093E-01 8816 0.253E+01 0.208E-01 RMM: 2 -0.327325961803E+03 -0.23468E-01 -0.19910E-01 5136 0.978E-01 0.850E-01 RMM: 3 -0.327319508586E+03 0.64532E-02 -0.17906E-02 5941 0.259E-01 0.169E-01 RMM: 4 -0.327319156092E+03 0.35249E-03 -0.92668E-04 4894 0.672E-02 0.130E-01 RMM: 5 -0.327319051010E+03 0.10508E-03 -0.14342E-04 3910 0.315E-02 0.829E-02 RMM: 6 -0.327319014982E+03 0.36028E-04 -0.42180E-05 3025 0.191E-02 0.554E-02 RMM: 7 -0.327319019626E+03 -0.46438E-05 -0.48600E-05 3078 0.200E-02 3500 T= 7129. E= 0.67508229E+03 F= 0.62894997E+03 E0= 0.65756887E+03 EK= 0.58054E+02 SP= -.12E+02 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327633094079E+03 -0.31408E+00 -0.18454E-01 8680 0.255E+01 0.221E-01 RMM: 2 -0.327657076041E+03 -0.23982E-01 -0.18558E-01 5077 0.951E-01 0.999E-01 RMM: 3 -0.327648839474E+03 0.82366E-02 -0.17079E-02 5805 0.265E-01 0.224E-01 RMM: 4 -0.327648390579E+03 0.44889E-03 -0.10919E-03 4833 0.734E-02 0.117E-01 RMM: 5 -0.327648314707E+03 0.75872E-04 -0.16290E-04 3922 0.324E-02 0.899E-02 RMM: 6 -0.327648269902E+03 0.44805E-04 -0.41598E-05 3033 0.190E-02 0.499E-02 RMM: 7 -0.327648277463E+03 -0.75608E-05 -0.32690E-05 2656 0.174E-02 3501 T= 7192. E= 0.67507634E+03 F= 0.62862071E+03 E0= 0.65722907E+03 EK= 0.58567E+02 SP= -.12E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327720723668E+03 -0.72454E-01 -0.18336E-01 8344 0.257E+01 0.201E-01 RMM: 2 -0.327744262230E+03 -0.23539E-01 -0.20520E-01 5013 0.102E+00 0.810E-01 RMM: 3 -0.327738593051E+03 0.56692E-02 -0.20323E-02 6057 0.267E-01 0.181E-01 RMM: 4 -0.327738130225E+03 0.46283E-03 -0.91410E-04 4855 0.702E-02 0.133E-01 RMM: 5 -0.327738020165E+03 0.11006E-03 -0.14862E-04 3913 0.324E-02 0.821E-02 RMM: 6 -0.327737982975E+03 0.37189E-04 -0.41814E-05 3036 0.190E-02 0.515E-02 RMM: 7 -0.327737980910E+03 0.20655E-05 -0.45710E-05 2869 0.195E-02 3502 T= 7222. E= 0.67507364E+03 F= 0.62853101E+03 E0= 0.65712976E+03 EK= 0.58815E+02 SP= -.12E+02 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327542972749E+03 0.19501E+00 -0.16305E-01 7984 0.258E+01 0.215E-01 RMM: 2 -0.327565261512E+03 -0.22289E-01 -0.18529E-01 4951 0.976E-01 0.891E-01 RMM: 3 -0.327558885345E+03 0.63762E-02 -0.19161E-02 6069 0.263E-01 0.195E-01 RMM: 4 -0.327558406501E+03 0.47884E-03 -0.95155E-04 4848 0.719E-02 0.127E-01 RMM: 5 -0.327558300738E+03 0.10576E-03 -0.14040E-04 3854 0.303E-02 0.845E-02 RMM: 6 -0.327558263673E+03 0.37065E-04 -0.35314E-05 2905 0.178E-02 0.510E-02 RMM: 7 -0.327558266610E+03 -0.29366E-05 -0.34655E-05 2660 0.175E-02 3503 T= 7216. E= 0.67507424E+03 F= 0.62871072E+03 E0= 0.65730192E+03 EK= 0.58766E+02 SP= -.12E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327113469663E+03 0.44479E+00 -0.15801E-01 8024 0.258E+01 0.190E-01 RMM: 2 -0.327132334796E+03 -0.18865E-01 -0.16956E-01 4936 0.934E-01 0.710E-01 RMM: 3 -0.327128105091E+03 0.42297E-02 -0.17723E-02 6154 0.249E-01 0.139E-01 RMM: 4 -0.327127813022E+03 0.29207E-03 -0.74643E-04 4835 0.634E-02 0.150E-01 RMM: 5 -0.327127663652E+03 0.14937E-03 -0.12006E-04 3733 0.306E-02 0.719E-02 RMM: 6 -0.327127638770E+03 0.24882E-04 -0.33082E-05 2775 0.172E-02 0.513E-02 RMM: 7 -0.327127630194E+03 0.85764E-05 -0.51472E-05 2971 0.200E-02 3504 T= 7176. E= 0.67507826E+03 F= 0.62914136E+03 E0= 0.65772819E+03 EK= 0.58440E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326493937279E+03 0.63370E+00 -0.15188E-01 7808 0.257E+01 0.205E-01 RMM: 2 -0.326512866046E+03 -0.18929E-01 -0.16273E-01 4873 0.939E-01 0.802E-01 RMM: 3 -0.326508019977E+03 0.48461E-02 -0.18091E-02 6032 0.250E-01 0.166E-01 RMM: 4 -0.326507648567E+03 0.37141E-03 -0.85518E-04 4790 0.691E-02 0.146E-01 RMM: 5 -0.326507507476E+03 0.14109E-03 -0.13831E-04 3811 0.313E-02 0.791E-02 RMM: 6 -0.326507476419E+03 0.31057E-04 -0.34964E-05 2914 0.178E-02 0.486E-02 RMM: 7 -0.326507476119E+03 0.30004E-06 -0.30846E-05 2604 0.165E-02 3505 T= 7110. E= 0.67508501E+03 F= 0.62976151E+03 E0= 0.65834893E+03 EK= 0.57897E+02 SP= -.13E+02 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325778761590E+03 0.72871E+00 -0.14115E-01 7624 0.255E+01 0.194E-01 RMM: 2 -0.325796082138E+03 -0.17321E-01 -0.14909E-01 4893 0.907E-01 0.771E-01 RMM: 3 -0.325791681063E+03 0.44011E-02 -0.16623E-02 6014 0.239E-01 0.160E-01 RMM: 4 -0.325791324916E+03 0.35615E-03 -0.76131E-04 4854 0.636E-02 0.123E-01 RMM: 5 -0.325791225394E+03 0.99522E-04 -0.10911E-04 3788 0.287E-02 0.730E-02 RMM: 6 -0.325791199961E+03 0.25433E-04 -0.29986E-05 2653 0.168E-02 0.489E-02 RMM: 7 -0.325791195600E+03 0.43609E-05 -0.42982E-05 2752 0.186E-02 3506 T= 7028. E= 0.67509268E+03 F= 0.63047779E+03 E0= 0.65907326E+03 EK= 0.57234E+02 SP= -.13E+02 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325070435270E+03 0.72076E+00 -0.13915E-01 7680 0.253E+01 0.190E-01 RMM: 2 -0.325086745942E+03 -0.16311E-01 -0.14130E-01 4831 0.903E-01 0.746E-01 RMM: 3 -0.325082730495E+03 0.40154E-02 -0.16355E-02 5976 0.237E-01 0.149E-01 RMM: 4 -0.325082423161E+03 0.30733E-03 -0.77991E-04 4768 0.663E-02 0.134E-01 RMM: 5 -0.325082308998E+03 0.11416E-03 -0.12417E-04 3766 0.302E-02 0.769E-02 RMM: 6 -0.325082276513E+03 0.32485E-04 -0.31729E-05 2762 0.172E-02 0.398E-02 RMM: 7 -0.325082275310E+03 0.12028E-05 -0.20917E-05 2519 0.142E-02 3507 T= 6945. E= 0.67509981E+03 F= 0.63118671E+03 E0= 0.65979952E+03 EK= 0.56554E+02 SP= -.13E+02 SK= 0.31E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324462212718E+03 0.62006E+00 -0.13192E-01 7568 0.250E+01 0.177E-01 RMM: 2 -0.324475351203E+03 -0.13138E-01 -0.11002E-01 4877 0.811E-01 0.729E-01 RMM: 3 -0.324471678768E+03 0.36724E-02 -0.12668E-02 5907 0.216E-01 0.153E-01 RMM: 4 -0.324471396289E+03 0.28248E-03 -0.59697E-04 4835 0.557E-02 0.963E-02 RMM: 5 -0.324471339188E+03 0.57101E-04 -0.84645E-05 3616 0.263E-02 0.681E-02 RMM: 6 -0.324471316431E+03 0.22757E-04 -0.26372E-05 2575 0.158E-02 0.436E-02 RMM: 7 -0.324471314528E+03 0.19027E-05 -0.36695E-05 2663 0.179E-02 3508 T= 6871. E= 0.67510491E+03 F= 0.63179767E+03 E0= 0.66043831E+03 EK= 0.55953E+02 SP= -.13E+02 SK= 0.21E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.324011543716E+03 0.45977E+00 -0.12830E-01 7600 0.249E+01 0.174E-01 RMM: 2 -0.324023497531E+03 -0.11954E-01 -0.95004E-02 4826 0.774E-01 0.756E-01 RMM: 3 -0.324019702598E+03 0.37949E-02 -0.11350E-02 5800 0.210E-01 0.162E-01 RMM: 4 -0.324019452170E+03 0.25043E-03 -0.61091E-04 4687 0.582E-02 0.934E-02 RMM: 5 -0.324019411164E+03 0.41006E-04 -0.97756E-05 3600 0.274E-02 0.725E-02 RMM: 6 -0.324019380569E+03 0.30595E-04 -0.28278E-05 2686 0.166E-02 0.310E-02 RMM: 7 -0.324019380900E+03 -0.33091E-06 -0.14417E-05 2487 0.122E-02 3509 T= 6814. E= 0.67510702E+03 F= 0.63224961E+03 E0= 0.66092772E+03 EK= 0.55492E+02 SP= -.13E+02 SK= 0.54E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323738725901E+03 0.28065E+00 -0.12697E-01 7792 0.248E+01 0.180E-01 RMM: 2 -0.323752504324E+03 -0.13778E-01 -0.10244E-01 4870 0.793E-01 0.863E-01 RMM: 3 -0.323747564653E+03 0.49397E-02 -0.11711E-02 5732 0.214E-01 0.192E-01 RMM: 4 -0.323747202648E+03 0.36200E-03 -0.66527E-04 4782 0.589E-02 0.702E-02 RMM: 5 -0.323747183704E+03 0.18944E-04 -0.97185E-05 3692 0.271E-02 3510 T= 6778. E= 0.67510778E+03 F= 0.63252181E+03 E0= 0.66124529E+03 EK= 0.55197E+02 SP= -.13E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323630791810E+03 0.11641E+00 -0.12312E-01 7880 0.248E+01 0.133E-01 RMM: 2 -0.323641394836E+03 -0.10603E-01 -0.93649E-02 4957 0.739E-01 0.568E-01 RMM: 3 -0.323639188642E+03 0.22062E-02 -0.10584E-02 6008 0.188E-01 0.139E-01 RMM: 4 -0.323638922747E+03 0.26590E-03 -0.38482E-04 4523 0.466E-02 0.789E-02 RMM: 5 -0.323638885076E+03 0.37671E-04 -0.52944E-05 3137 0.216E-02 0.739E-02 RMM: 6 -0.323638871681E+03 0.13395E-04 -0.27482E-05 2586 0.162E-02 3511 T= 6760. E= 0.67510687E+03 F= 0.63263012E+03 E0= 0.66140442E+03 EK= 0.55053E+02 SP= -.13E+02 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323644451173E+03 -0.55661E-02 -0.13037E-01 7680 0.249E+01 0.353E-01 RMM: 2 -0.323682141430E+03 -0.37690E-01 -0.12979E-01 4807 0.890E-01 0.201E+00 RMM: 3 -0.323654680512E+03 0.27461E-01 -0.19115E-02 5370 0.330E-01 0.373E-01 RMM: 4 -0.323653723103E+03 0.95741E-03 -0.20648E-03 5112 0.922E-02 0.830E-02 RMM: 5 -0.323653757039E+03 -0.33936E-04 -0.26118E-04 3963 0.355E-02 0.121E-01 RMM: 6 -0.323653665691E+03 0.91347E-04 -0.55530E-05 3279 0.217E-02 0.465E-02 RMM: 7 -0.323653658190E+03 0.75010E-05 -0.18133E-05 2522 0.128E-02 3512 T= 6757. E= 0.67510454E+03 F= 0.63261533E+03 E0= 0.66144316E+03 EK= 0.55021E+02 SP= -.13E+02 SK= 0.46E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323732222944E+03 -0.78557E-01 -0.13016E-01 7712 0.249E+01 0.349E-01 RMM: 2 -0.323771680065E+03 -0.39457E-01 -0.12858E-01 4936 0.874E-01 0.209E+00 RMM: 3 -0.323742436357E+03 0.29244E-01 -0.18223E-02 5378 0.318E-01 0.344E-01 RMM: 4 -0.323741594520E+03 0.84184E-03 -0.21356E-03 5058 0.963E-02 0.125E-01 RMM: 5 -0.323741575664E+03 0.18856E-04 -0.27129E-04 3904 0.383E-02 0.125E-01 RMM: 6 -0.323741463590E+03 0.11207E-03 -0.67027E-05 3418 0.235E-02 0.481E-02 RMM: 7 -0.323741458628E+03 0.49613E-05 -0.21699E-05 2564 0.137E-02 3513 T= 6760. E= 0.67510249E+03 F= 0.63252753E+03 E0= 0.66140659E+03 EK= 0.55052E+02 SP= -.12E+02 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323846915167E+03 -0.10545E+00 -0.13055E-01 7784 0.249E+01 0.251E-01 RMM: 2 -0.323866856281E+03 -0.19941E-01 -0.11354E-01 5003 0.794E-01 0.124E+00 RMM: 3 -0.323856192798E+03 0.10663E-01 -0.13611E-02 5453 0.256E-01 0.243E-01 RMM: 4 -0.323855768177E+03 0.42462E-03 -0.11712E-03 4942 0.679E-02 0.868E-02 RMM: 5 -0.323855738785E+03 0.29392E-04 -0.14335E-04 3851 0.316E-02 0.891E-02 RMM: 6 -0.323855689816E+03 0.48970E-04 -0.34327E-05 2928 0.176E-02 0.452E-02 RMM: 7 -0.323855692456E+03 -0.26405E-05 -0.18281E-05 2540 0.134E-02 3514 T= 6766. E= 0.67510130E+03 F= 0.63241330E+03 E0= 0.66133988E+03 EK= 0.55100E+02 SP= -.12E+02 SK= 0.93E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323951532064E+03 -0.95842E-01 -0.13462E-01 7840 0.249E+01 0.219E-01 RMM: 2 -0.323969141476E+03 -0.17609E-01 -0.12967E-01 4900 0.850E-01 0.988E-01 RMM: 3 -0.323962706296E+03 0.64352E-02 -0.15711E-02 5789 0.243E-01 0.186E-01 RMM: 4 -0.323962334679E+03 0.37162E-03 -0.95978E-04 4917 0.667E-02 0.117E-01 RMM: 5 -0.323962257079E+03 0.77600E-04 -0.13499E-04 3906 0.297E-02 0.809E-02 RMM: 6 -0.323962219059E+03 0.38020E-04 -0.29243E-05 2661 0.162E-02 0.441E-02 RMM: 7 -0.323962217304E+03 0.17552E-05 -0.18005E-05 2516 0.134E-02 3515 T= 6770. E= 0.67510073E+03 F= 0.63230677E+03 E0= 0.66127333E+03 EK= 0.55130E+02 SP= -.12E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324026218505E+03 -0.63999E-01 -0.14664E-01 8000 0.249E+01 0.180E-01 RMM: 2 -0.324043833298E+03 -0.17615E-01 -0.15001E-01 4880 0.899E-01 0.776E-01 RMM: 3 -0.324039454335E+03 0.43790E-02 -0.17259E-02 5984 0.240E-01 0.146E-01 RMM: 4 -0.324039095587E+03 0.35875E-03 -0.81604E-04 4911 0.638E-02 0.109E-01 RMM: 5 -0.324039025972E+03 0.69615E-04 -0.11512E-04 3845 0.280E-02 0.724E-02 RMM: 6 -0.324038999098E+03 0.26874E-04 -0.29003E-05 2629 0.163E-02 0.456E-02 RMM: 7 -0.324038999152E+03 -0.54319E-07 -0.28586E-05 2602 0.160E-02 3516 T= 6769. E= 0.67510035E+03 F= 0.63222999E+03 E0= 0.66122792E+03 EK= 0.55120E+02 SP= -.12E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324060008893E+03 -0.21010E-01 -0.15216E-01 8064 0.248E+01 0.194E-01 RMM: 2 -0.324078840668E+03 -0.18832E-01 -0.15767E-01 4939 0.907E-01 0.843E-01 RMM: 3 -0.324073611252E+03 0.52294E-02 -0.16835E-02 6017 0.236E-01 0.159E-01 RMM: 4 -0.324073247804E+03 0.36345E-03 -0.83642E-04 4909 0.659E-02 0.125E-01 RMM: 5 -0.324073155085E+03 0.92719E-04 -0.12114E-04 3842 0.284E-02 0.753E-02 RMM: 6 -0.324073124067E+03 0.31018E-04 -0.28971E-05 2674 0.164E-02 0.415E-02 RMM: 7 -0.324073126710E+03 -0.26434E-05 -0.20245E-05 2531 0.136E-02 3517 T= 6761. E= 0.67510010E+03 F= 0.63219586E+03 E0= 0.66121413E+03 EK= 0.55056E+02 SP= -.12E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324045852822E+03 0.27271E-01 -0.15293E-01 8064 0.247E+01 0.161E-01 RMM: 2 -0.324063052970E+03 -0.17200E-01 -0.15572E-01 4993 0.895E-01 0.660E-01 RMM: 3 -0.324059464666E+03 0.35883E-02 -0.15801E-02 6168 0.227E-01 0.138E-01 RMM: 4 -0.324059131710E+03 0.33296E-03 -0.64768E-04 4724 0.598E-02 0.110E-01 RMM: 5 -0.324059053849E+03 0.77862E-04 -0.94685E-05 3635 0.279E-02 0.652E-02 RMM: 6 -0.324059034915E+03 0.18934E-04 -0.26648E-05 2575 0.159E-02 3518 T= 6746. E= 0.67510026E+03 F= 0.63220995E+03 E0= 0.66123812E+03 EK= 0.54935E+02 SP= -.12E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323984488125E+03 0.74566E-01 -0.14406E-01 8328 0.246E+01 0.204E-01 RMM: 2 -0.324003034246E+03 -0.18546E-01 -0.12922E-01 5157 0.803E-01 0.103E+00 RMM: 3 -0.323995307923E+03 0.77263E-02 -0.12454E-02 5740 0.228E-01 0.206E-01 RMM: 4 -0.323994932943E+03 0.37498E-03 -0.82393E-04 4800 0.618E-02 0.899E-02 RMM: 5 -0.323994885495E+03 0.47448E-04 -0.10487E-04 3895 0.263E-02 0.746E-02 RMM: 6 -0.323994861642E+03 0.23853E-04 -0.23889E-05 2565 0.147E-02 0.577E-02 RMM: 7 -0.323994869578E+03 -0.79365E-05 -0.31209E-05 2658 0.168E-02 3519 T= 6724. E= 0.67510032E+03 F= 0.63227412E+03 E0= 0.66130160E+03 EK= 0.54753E+02 SP= -.12E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323872907798E+03 0.12195E+00 -0.13946E-01 8384 0.245E+01 0.240E-01 RMM: 2 -0.323892973511E+03 -0.20066E-01 -0.12512E-01 5075 0.800E-01 0.119E+00 RMM: 3 -0.323882884312E+03 0.10089E-01 -0.12338E-02 5600 0.240E-01 0.240E-01 RMM: 4 -0.323882494289E+03 0.39002E-03 -0.11456E-03 4744 0.747E-02 0.118E-01 RMM: 5 -0.323882487386E+03 0.69028E-05 -0.17455E-04 3890 0.325E-02 3520 T= 6695. E= 0.67510153E+03 F= 0.63238650E+03 E0= 0.66140519E+03 EK= 0.54517E+02 SP= -.12E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323715793004E+03 0.16670E+00 -0.14836E-01 8504 0.243E+01 0.188E-01 RMM: 2 -0.323735969694E+03 -0.20177E-01 -0.14300E-01 5313 0.828E-01 0.103E+00 RMM: 3 -0.323727759836E+03 0.82099E-02 -0.12824E-02 5704 0.226E-01 0.176E-01 RMM: 4 -0.323727438351E+03 0.32148E-03 -0.75513E-04 4991 0.573E-02 0.957E-02 RMM: 5 -0.323727371651E+03 0.66700E-04 -0.89199E-05 3788 0.256E-02 0.735E-02 RMM: 6 -0.323727355901E+03 0.15750E-04 -0.29021E-05 2593 0.163E-02 3521 T= 6660. E= 0.67510361E+03 F= 0.63254163E+03 E0= 0.66154267E+03 EK= 0.54231E+02 SP= -.12E+02 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323534216865E+03 0.19315E+00 -0.14507E-01 8192 0.242E+01 0.314E-01 RMM: 2 -0.323574164652E+03 -0.39948E-01 -0.14019E-01 4972 0.859E-01 0.202E+00 RMM: 3 -0.323545265028E+03 0.28900E-01 -0.17799E-02 5371 0.310E-01 0.250E-01 RMM: 4 -0.323544832233E+03 0.43279E-03 -0.18866E-03 5107 0.840E-02 0.100E-01 RMM: 5 -0.323544796599E+03 0.35634E-04 -0.18856E-04 4058 0.325E-02 0.934E-02 RMM: 6 -0.323544743100E+03 0.53499E-04 -0.34867E-05 2901 0.178E-02 0.465E-02 RMM: 7 -0.323544743679E+03 -0.57854E-06 -0.18559E-05 2519 0.137E-02 3522 T= 6620. E= 0.67510524E+03 F= 0.63272425E+03 E0= 0.66170236E+03 EK= 0.53912E+02 SP= -.12E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323353468027E+03 0.19128E+00 -0.14138E-01 8256 0.241E+01 0.353E-01 RMM: 2 -0.323393265144E+03 -0.39797E-01 -0.13779E-01 5055 0.854E-01 0.204E+00 RMM: 3 -0.323364102703E+03 0.29162E-01 -0.18280E-02 5380 0.318E-01 0.377E-01 RMM: 4 -0.323363102243E+03 0.10005E-02 -0.22930E-03 5163 0.102E-01 0.112E-01 RMM: 5 -0.323363118477E+03 -0.16234E-04 -0.29172E-04 3932 0.382E-02 0.140E-01 RMM: 6 -0.323362992253E+03 0.12622E-03 -0.71685E-05 3474 0.244E-02 0.444E-02 RMM: 7 -0.323362984769E+03 0.74836E-05 -0.20113E-05 2533 0.130E-02 3523 T= 6581. E= 0.67510847E+03 F= 0.63290600E+03 E0= 0.66185747E+03 EK= 0.53592E+02 SP= -.11E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323216853691E+03 0.14614E+00 -0.14217E-01 8168 0.240E+01 0.269E-01 RMM: 2 -0.323244612917E+03 -0.27759E-01 -0.13442E-01 4948 0.855E-01 0.156E+00 RMM: 3 -0.323227962167E+03 0.16651E-01 -0.15675E-02 5545 0.272E-01 0.256E-01 RMM: 4 -0.323227438409E+03 0.52376E-03 -0.13224E-03 4842 0.748E-02 0.997E-02 RMM: 5 -0.323227392824E+03 0.45584E-04 -0.17305E-04 3919 0.334E-02 0.826E-02 RMM: 6 -0.323227349655E+03 0.43170E-04 -0.35837E-05 2900 0.178E-02 0.485E-02 RMM: 7 -0.323227354608E+03 -0.49530E-05 -0.22252E-05 2547 0.148E-02 3524 T= 6547. E= 0.67511236E+03 F= 0.63304163E+03 E0= 0.66196489E+03 EK= 0.53316E+02 SP= -.11E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323185037321E+03 0.42312E-01 -0.13181E-01 8056 0.239E+01 0.213E-01 RMM: 2 -0.323201518677E+03 -0.16481E-01 -0.11530E-01 5009 0.788E-01 0.975E-01 RMM: 3 -0.323194598168E+03 0.69205E-02 -0.12534E-02 5567 0.239E-01 0.202E-01 RMM: 4 -0.323194313049E+03 0.28512E-03 -0.93710E-04 4927 0.636E-02 0.101E-01 RMM: 5 -0.323194267100E+03 0.45949E-04 -0.12577E-04 3817 0.296E-02 0.869E-02 RMM: 6 -0.323194220036E+03 0.47064E-04 -0.32744E-05 2899 0.173E-02 0.374E-02 RMM: 7 -0.323194218881E+03 0.11545E-05 -0.14346E-05 2494 0.122E-02 3525 T= 6526. E= 0.67511626E+03 F= 0.63307477E+03 E0= 0.66197043E+03 EK= 0.53142E+02 SP= -.11E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323312521839E+03 -0.11830E+00 -0.12739E-01 7912 0.238E+01 0.222E-01 RMM: 2 -0.323332043467E+03 -0.19522E-01 -0.12983E-01 4900 0.860E-01 0.112E+00 RMM: 3 -0.323323671468E+03 0.83720E-02 -0.15191E-02 5814 0.244E-01 0.206E-01 RMM: 4 -0.323323229148E+03 0.44232E-03 -0.94905E-04 4861 0.676E-02 0.106E-01 RMM: 5 -0.323323174021E+03 0.55126E-04 -0.13877E-04 3864 0.306E-02 0.823E-02 RMM: 6 -0.323323131555E+03 0.42466E-04 -0.32872E-05 2843 0.174E-02 0.478E-02 RMM: 7 -0.323323131848E+03 -0.29322E-06 -0.24874E-05 2571 0.151E-02 3526 T= 6524. E= 0.67512008E+03 F= 0.63294586E+03 E0= 0.66181596E+03 EK= 0.53128E+02 SP= -.11E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323658842010E+03 -0.33571E+00 -0.12014E-01 7808 0.238E+01 0.212E-01 RMM: 2 -0.323675000588E+03 -0.16159E-01 -0.11869E-01 4893 0.826E-01 0.939E-01 RMM: 3 -0.323668873807E+03 0.61268E-02 -0.14089E-02 5676 0.242E-01 0.174E-01 RMM: 4 -0.323668592118E+03 0.28169E-03 -0.89520E-04 4989 0.618E-02 0.971E-02 RMM: 5 -0.323668544808E+03 0.47310E-04 -0.11176E-04 3805 0.284E-02 0.775E-02 RMM: 6 -0.323668510352E+03 0.34456E-04 -0.29183E-05 2723 0.163E-02 0.403E-02 RMM: 7 -0.323668511826E+03 -0.14741E-05 -0.16966E-05 2504 0.132E-02 3527 T= 6549. E= 0.67512221E+03 F= 0.63260048E+03 E0= 0.66144906E+03 EK= 0.53328E+02 SP= -.11E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324253338391E+03 -0.58483E+00 -0.11474E-01 7736 0.239E+01 0.204E-01 RMM: 2 -0.324269982490E+03 -0.16644E-01 -0.11741E-01 4871 0.823E-01 0.990E-01 RMM: 3 -0.324263447194E+03 0.65353E-02 -0.13792E-02 5805 0.229E-01 0.194E-01 RMM: 4 -0.324263044448E+03 0.40275E-03 -0.82311E-04 4764 0.655E-02 0.101E-01 RMM: 5 -0.324263001012E+03 0.43436E-04 -0.12753E-04 3794 0.298E-02 0.833E-02 RMM: 6 -0.324262957137E+03 0.43875E-04 -0.33211E-05 2874 0.178E-02 0.398E-02 RMM: 7 -0.324262957811E+03 -0.67399E-06 -0.18922E-05 2516 0.135E-02 3528 T= 6603. E= 0.67512224E+03 F= 0.63200603E+03 E0= 0.66083783E+03 EK= 0.53773E+02 SP= -.11E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325100214795E+03 -0.83726E+00 -0.11021E-01 7832 0.240E+01 0.191E-01 RMM: 2 -0.325113469180E+03 -0.13254E-01 -0.96735E-02 4916 0.760E-01 0.869E-01 RMM: 3 -0.325108366841E+03 0.51023E-02 -0.11321E-02 5665 0.219E-01 0.170E-01 RMM: 4 -0.325108107498E+03 0.25934E-03 -0.69715E-04 4886 0.561E-02 0.830E-02 RMM: 5 -0.325108069589E+03 0.37909E-04 -0.94681E-05 3687 0.275E-02 0.706E-02 RMM: 6 -0.325108041301E+03 0.28288E-04 -0.26188E-05 2591 0.155E-02 0.382E-02 RMM: 7 -0.325108041011E+03 0.28918E-06 -0.15780E-05 2497 0.125E-02 3529 T= 6688. E= 0.67511947E+03 F= 0.63116095E+03 E0= 0.65998105E+03 EK= 0.54459E+02 SP= -.11E+02 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326161655613E+03 -0.10536E+01 -0.11116E-01 7616 0.242E+01 0.180E-01 RMM: 2 -0.326173869337E+03 -0.12214E-01 -0.90009E-02 4951 0.735E-01 0.839E-01 RMM: 3 -0.326169275785E+03 0.45936E-02 -0.10219E-02 5777 0.202E-01 0.162E-01 RMM: 4 -0.326169016562E+03 0.25922E-03 -0.60317E-04 4675 0.564E-02 0.970E-02 RMM: 5 -0.326168969998E+03 0.46563E-04 -0.96160E-05 3651 0.272E-02 0.735E-02 RMM: 6 -0.326168937480E+03 0.32518E-04 -0.27047E-05 2674 0.162E-02 0.382E-02 RMM: 7 -0.326168937112E+03 0.36812E-06 -0.16072E-05 2496 0.125E-02 3530 T= 6797. E= 0.67511490E+03 F= 0.63010005E+03 E0= 0.65891267E+03 EK= 0.55350E+02 SP= -.10E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327373322727E+03 -0.12044E+01 -0.10975E-01 7744 0.244E+01 0.176E-01 RMM: 2 -0.327384549507E+03 -0.11227E-01 -0.87885E-02 5009 0.720E-01 0.756E-01 RMM: 3 -0.327380725224E+03 0.38243E-02 -0.98745E-03 5776 0.199E-01 0.144E-01 RMM: 4 -0.327380530096E+03 0.19513E-03 -0.55291E-04 4750 0.519E-02 0.102E-01 RMM: 5 -0.327380466157E+03 0.63939E-04 -0.84779E-05 3596 0.263E-02 0.662E-02 RMM: 6 -0.327380443381E+03 0.22776E-04 -0.24239E-05 2560 0.149E-02 0.398E-02 RMM: 7 -0.327380439435E+03 0.39461E-05 -0.18220E-05 2507 0.132E-02 3531 T= 6923. E= 0.67510858E+03 F= 0.62888855E+03 E0= 0.65769706E+03 EK= 0.56375E+02 SP= -.10E+02 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328646115334E+03 -0.12657E+01 -0.11399E-01 7920 0.247E+01 0.165E-01 RMM: 2 -0.328657793328E+03 -0.11678E-01 -0.96725E-02 5041 0.738E-01 0.707E-01 RMM: 3 -0.328654300622E+03 0.34927E-02 -0.10216E-02 5951 0.192E-01 0.140E-01 RMM: 4 -0.328654064745E+03 0.23588E-03 -0.53123E-04 4559 0.552E-02 0.111E-01 RMM: 5 -0.328653988029E+03 0.76716E-04 -0.90663E-05 3625 0.275E-02 0.661E-02 RMM: 6 -0.328653966497E+03 0.21532E-04 -0.23142E-05 2562 0.147E-02 0.438E-02 RMM: 7 -0.328653962532E+03 0.39645E-05 -0.19643E-05 2529 0.133E-02 3532 T= 7054. E= 0.67510165E+03 F= 0.62761503E+03 E0= 0.65642115E+03 EK= 0.57441E+02 SP= -.10E+02 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329885980976E+03 -0.12320E+01 -0.11804E-01 8192 0.249E+01 0.171E-01 RMM: 2 -0.329897636053E+03 -0.11655E-01 -0.96892E-02 5077 0.730E-01 0.706E-01 RMM: 3 -0.329894087712E+03 0.35483E-02 -0.10149E-02 5935 0.198E-01 0.143E-01 RMM: 4 -0.329893887403E+03 0.20031E-03 -0.52453E-04 4637 0.521E-02 0.112E-01 RMM: 5 -0.329893804050E+03 0.83352E-04 -0.86670E-05 3597 0.266E-02 0.648E-02 RMM: 6 -0.329893785725E+03 0.18325E-04 -0.23762E-05 2557 0.146E-02 3533 T= 7177. E= 0.67509466E+03 F= 0.62637520E+03 E0= 0.65517935E+03 EK= 0.58445E+02 SP= -.98E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330994402488E+03 -0.11006E+01 -0.12213E-01 7824 0.251E+01 0.168E-01 RMM: 2 -0.331008609011E+03 -0.14207E-01 -0.11258E-01 5131 0.757E-01 0.783E-01 RMM: 3 -0.331003887914E+03 0.47211E-02 -0.10956E-02 5885 0.204E-01 0.155E-01 RMM: 4 -0.331003639350E+03 0.24856E-03 -0.57683E-04 4692 0.531E-02 0.101E-01 RMM: 5 -0.331003565464E+03 0.73886E-04 -0.79234E-05 3593 0.255E-02 0.642E-02 RMM: 6 -0.331003554480E+03 0.10984E-04 -0.22485E-05 2555 0.140E-02 3534 T= 7281. E= 0.67508836E+03 F= 0.62526543E+03 E0= 0.65406694E+03 EK= 0.59288E+02 SP= -.96E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331887950449E+03 -0.88438E+00 -0.12677E-01 8000 0.253E+01 0.285E-01 RMM: 2 -0.331915928320E+03 -0.27978E-01 -0.10967E-01 5167 0.768E-01 0.167E+00 RMM: 3 -0.331896531183E+03 0.19397E-01 -0.13366E-02 5411 0.268E-01 0.267E-01 RMM: 4 -0.331896014339E+03 0.51684E-03 -0.14256E-03 4747 0.784E-02 0.908E-02 RMM: 5 -0.331895976184E+03 0.38154E-04 -0.15822E-04 4021 0.306E-02 0.863E-02 RMM: 6 -0.331895935751E+03 0.40434E-04 -0.27430E-05 2624 0.161E-02 0.524E-02 RMM: 7 -0.331895941106E+03 -0.53551E-05 -0.24405E-05 2581 0.153E-02 3535 T= 7353. E= 0.67508306E+03 F= 0.62437305E+03 E0= 0.65317133E+03 EK= 0.59878E+02 SP= -.93E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332492613454E+03 -0.59668E+00 -0.13475E-01 8000 0.254E+01 0.236E-01 RMM: 2 -0.332512862377E+03 -0.20249E-01 -0.12191E-01 5172 0.770E-01 0.119E+00 RMM: 3 -0.332502331248E+03 0.10531E-01 -0.12076E-02 5469 0.241E-01 0.263E-01 RMM: 4 -0.332501891031E+03 0.44022E-03 -0.12702E-03 4726 0.777E-02 0.112E-01 RMM: 5 -0.332501829543E+03 0.61488E-04 -0.16789E-04 3919 0.320E-02 0.909E-02 RMM: 6 -0.332501778039E+03 0.51504E-04 -0.32351E-05 2849 0.178E-02 0.375E-02 RMM: 7 -0.332501777109E+03 0.93044E-06 -0.16799E-05 2498 0.128E-02 3536 T= 7386. E= 0.67507900E+03 F= 0.62376721E+03 E0= 0.65256131E+03 EK= 0.60144E+02 SP= -.90E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332760243899E+03 -0.25847E+00 -0.13631E-01 8120 0.254E+01 0.189E-01 RMM: 2 -0.332778988917E+03 -0.18745E-01 -0.13644E-01 5241 0.792E-01 0.979E-01 RMM: 3 -0.332771452507E+03 0.75364E-02 -0.12243E-02 5821 0.219E-01 0.166E-01 RMM: 4 -0.332771161041E+03 0.29147E-03 -0.72731E-04 4821 0.576E-02 0.102E-01 RMM: 5 -0.332771087953E+03 0.73088E-04 -0.93186E-05 3718 0.263E-02 0.667E-02 RMM: 6 -0.332771066704E+03 0.21249E-04 -0.24370E-05 2576 0.149E-02 0.513E-02 RMM: 7 -0.332771065238E+03 0.14662E-05 -0.30955E-05 2649 0.156E-02 3537 T= 7372. E= 0.67507648E+03 F= 0.62349792E+03 E0= 0.65228651E+03 EK= 0.60035E+02 SP= -.87E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332666765135E+03 0.10430E+00 -0.13930E-01 8008 0.254E+01 0.183E-01 RMM: 2 -0.332683889145E+03 -0.17124E-01 -0.14159E-01 5247 0.812E-01 0.799E-01 RMM: 3 -0.332678458830E+03 0.54303E-02 -0.12348E-02 6070 0.216E-01 0.157E-01 RMM: 4 -0.332678200447E+03 0.25838E-03 -0.66218E-04 4741 0.571E-02 0.113E-01 RMM: 5 -0.332678118404E+03 0.82043E-04 -0.93054E-05 3623 0.265E-02 0.629E-02 RMM: 6 -0.332678098502E+03 0.19902E-04 -0.23321E-05 2566 0.148E-02 3538 T= 7310. E= 0.67507585E+03 F= 0.62359089E+03 E0= 0.65237363E+03 EK= 0.59531E+02 SP= -.83E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332209203836E+03 0.46891E+00 -0.14565E-01 7896 0.253E+01 0.182E-01 RMM: 2 -0.332231486783E+03 -0.22283E-01 -0.17749E-01 5033 0.914E-01 0.913E-01 RMM: 3 -0.332224563487E+03 0.69233E-02 -0.17671E-02 5951 0.251E-01 0.176E-01 RMM: 4 -0.332224116596E+03 0.44689E-03 -0.80935E-04 4888 0.624E-02 0.902E-02 RMM: 5 -0.332224058401E+03 0.58195E-04 -0.93040E-05 3859 0.260E-02 0.742E-02 RMM: 6 -0.332224043825E+03 0.14576E-04 -0.24000E-05 2546 0.149E-02 3539 T= 7201. E= 0.67507804E+03 F= 0.62404495E+03 E0= 0.65281996E+03 EK= 0.58638E+02 SP= -.79E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331432415828E+03 0.79164E+00 -0.14390E-01 8144 0.251E+01 0.364E-01 RMM: 2 -0.331472415122E+03 -0.39999E-01 -0.15802E-01 5014 0.902E-01 0.198E+00 RMM: 3 -0.331444831053E+03 0.27584E-01 -0.20361E-02 5396 0.333E-01 0.381E-01 RMM: 4 -0.331443771557E+03 0.10595E-02 -0.22659E-03 5147 0.968E-02 0.994E-02 RMM: 5 -0.331443752263E+03 0.19293E-04 -0.25297E-04 4080 0.338E-02 0.102E-01 RMM: 6 -0.331443689380E+03 0.62883E-04 -0.36963E-05 2904 0.182E-02 0.576E-02 RMM: 7 -0.331443692685E+03 -0.33047E-05 -0.26193E-05 2589 0.156E-02 3540 T= 7049. E= 0.67508313E+03 F= 0.62482530E+03 E0= 0.65358948E+03 EK= 0.57401E+02 SP= -.75E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330396434902E+03 0.10473E+01 -0.15107E-01 7984 0.248E+01 0.373E-01 RMM: 2 -0.330440039200E+03 -0.43604E-01 -0.17589E-01 5058 0.928E-01 0.203E+00 RMM: 3 -0.330410731404E+03 0.29308E-01 -0.22178E-02 5412 0.339E-01 0.401E-01 RMM: 4 -0.330409625407E+03 0.11060E-02 -0.26193E-03 5189 0.107E-01 0.142E-01 RMM: 5 -0.330409676946E+03 -0.51538E-04 -0.37663E-04 3934 0.445E-02 0.167E-01 RMM: 6 -0.330409485191E+03 0.19175E-03 -0.10762E-04 3781 0.293E-02 0.445E-02 RMM: 7 -0.330409481829E+03 0.33619E-05 -0.20603E-05 2571 0.130E-02 3541 T= 6865. E= 0.67509088E+03 F= 0.62585951E+03 E0= 0.65460781E+03 EK= 0.55901E+02 SP= -.71E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329210229952E+03 0.11993E+01 -0.14282E-01 8096 0.245E+01 0.285E-01 RMM: 2 -0.329241301760E+03 -0.31072E-01 -0.16208E-01 5110 0.891E-01 0.158E+00 RMM: 3 -0.329223701915E+03 0.17600E-01 -0.17919E-02 5505 0.287E-01 0.270E-01 RMM: 4 -0.329223099533E+03 0.60238E-03 -0.15571E-03 4980 0.794E-02 0.103E-01 RMM: 5 -0.329223054528E+03 0.45005E-04 -0.18150E-04 3948 0.337E-02 0.916E-02 RMM: 6 -0.329223001919E+03 0.52609E-04 -0.37085E-05 2878 0.183E-02 0.528E-02 RMM: 7 -0.329223006196E+03 -0.42771E-05 -0.24142E-05 2567 0.152E-02 3542 T= 6662. E= 0.67509994E+03 F= 0.62704598E+03 E0= 0.65577163E+03 EK= 0.54248E+02 SP= -.66E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327985564386E+03 0.12374E+01 -0.14311E-01 7984 0.241E+01 0.209E-01 RMM: 2 -0.328006830939E+03 -0.21267E-01 -0.16686E-01 5069 0.902E-01 0.927E-01 RMM: 3 -0.328000095879E+03 0.67351E-02 -0.17226E-02 5746 0.250E-01 0.187E-01 RMM: 4 -0.327999675487E+03 0.42039E-03 -0.10026E-03 5032 0.659E-02 0.922E-02 RMM: 5 -0.327999640400E+03 0.35087E-04 -0.12509E-04 3918 0.290E-02 0.779E-02 RMM: 6 -0.327999605580E+03 0.34820E-04 -0.27630E-05 2677 0.161E-02 0.408E-02 RMM: 7 -0.327999611662E+03 -0.60823E-05 -0.16785E-05 2513 0.129E-02 3543 T= 6455. E= 0.67510821E+03 F= 0.62826938E+03 E0= 0.65696433E+03 EK= 0.52566E+02 SP= -.62E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326831818593E+03 0.11678E+01 -0.12720E-01 7928 0.237E+01 0.198E-01 RMM: 2 -0.326850963148E+03 -0.19145E-01 -0.14457E-01 5008 0.838E-01 0.943E-01 RMM: 3 -0.326844296313E+03 0.66668E-02 -0.14511E-02 5835 0.234E-01 0.187E-01 RMM: 4 -0.326843933169E+03 0.36314E-03 -0.84244E-04 4783 0.643E-02 0.111E-01 RMM: 5 -0.326843877027E+03 0.56141E-04 -0.12516E-04 3790 0.296E-02 0.825E-02 RMM: 6 -0.326843835083E+03 0.41945E-04 -0.33527E-05 2867 0.177E-02 0.409E-02 RMM: 7 -0.326843838442E+03 -0.33599E-05 -0.22419E-05 2529 0.145E-02 3544 T= 6259. E= 0.67511419E+03 F= 0.62942515E+03 E0= 0.65808269E+03 EK= 0.50966E+02 SP= -.57E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325820472767E+03 0.10234E+01 -0.11878E-01 8288 0.234E+01 0.180E-01 RMM: 2 -0.325834688600E+03 -0.14216E-01 -0.11093E-01 5271 0.716E-01 0.793E-01 RMM: 3 -0.325829580830E+03 0.51078E-02 -0.97416E-03 5808 0.200E-01 0.156E-01 RMM: 4 -0.325829386046E+03 0.19478E-03 -0.62643E-04 4796 0.524E-02 0.962E-02 RMM: 5 -0.325829333521E+03 0.52526E-04 -0.81424E-05 3587 0.237E-02 0.703E-02 RMM: 6 -0.325829308009E+03 0.25512E-04 -0.24290E-05 2627 0.152E-02 0.432E-02 RMM: 7 -0.325829313588E+03 -0.55793E-05 -0.23026E-05 2544 0.144E-02 3545 T= 6082. E= 0.67511774E+03 F= 0.63043968E+03 E0= 0.65905366E+03 EK= 0.49526E+02 SP= -.52E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324986591038E+03 0.84272E+00 -0.11915E-01 8456 0.231E+01 0.196E-01 RMM: 2 -0.325002568177E+03 -0.15977E-01 -0.11355E-01 5206 0.723E-01 0.930E-01 RMM: 3 -0.324996000315E+03 0.65679E-02 -0.10596E-02 5828 0.204E-01 0.200E-01 RMM: 4 -0.324995663390E+03 0.33693E-03 -0.72579E-04 4712 0.592E-02 0.958E-02 RMM: 5 -0.324995617225E+03 0.46165E-04 -0.10118E-04 3700 0.253E-02 0.769E-02 RMM: 6 -0.324995584687E+03 0.32538E-04 -0.26455E-05 2704 0.161E-02 0.424E-02 RMM: 7 -0.324995588383E+03 -0.36964E-05 -0.21136E-05 2538 0.137E-02 3546 T= 5930. E= 0.67511938E+03 F= 0.63127340E+03 E0= 0.65984034E+03 EK= 0.48291E+02 SP= -.48E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324347652679E+03 0.64793E+00 -0.12216E-01 8912 0.229E+01 0.185E-01 RMM: 2 -0.324362899833E+03 -0.15247E-01 -0.11626E-01 5347 0.719E-01 0.835E-01 RMM: 3 -0.324357257953E+03 0.56419E-02 -0.10171E-02 5804 0.196E-01 0.172E-01 RMM: 4 -0.324356986120E+03 0.27183E-03 -0.66048E-04 4780 0.547E-02 0.945E-02 RMM: 5 -0.324356931599E+03 0.54521E-04 -0.84406E-05 3673 0.235E-02 0.691E-02 RMM: 6 -0.324356910549E+03 0.21050E-04 -0.21640E-05 2573 0.143E-02 0.498E-02 RMM: 7 -0.324356914859E+03 -0.43101E-05 -0.26648E-05 2623 0.148E-02 3547 T= 5806. E= 0.67511953E+03 F= 0.63191207E+03 E0= 0.66043119E+03 EK= 0.47278E+02 SP= -.44E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323904093860E+03 0.45282E+00 -0.12410E-01 8888 0.227E+01 0.201E-01 RMM: 2 -0.323920423107E+03 -0.16329E-01 -0.11623E-01 5238 0.733E-01 0.942E-01 RMM: 3 -0.323913878776E+03 0.65443E-02 -0.10805E-02 5724 0.210E-01 0.202E-01 RMM: 4 -0.323913532391E+03 0.34638E-03 -0.77911E-04 4837 0.589E-02 0.898E-02 RMM: 5 -0.323913493330E+03 0.39061E-04 -0.10058E-04 3753 0.253E-02 0.786E-02 RMM: 6 -0.323913461432E+03 0.31898E-04 -0.25376E-05 2664 0.154E-02 0.482E-02 RMM: 7 -0.323913465991E+03 -0.45591E-05 -0.27255E-05 2612 0.153E-02 3548 T= 5709. E= 0.67511918E+03 F= 0.63235552E+03 E0= 0.66082904E+03 EK= 0.46491E+02 SP= -.40E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323651834611E+03 0.26163E+00 -0.12256E-01 9088 0.226E+01 0.191E-01 RMM: 2 -0.323666906148E+03 -0.15072E-01 -0.10670E-01 5542 0.679E-01 0.909E-01 RMM: 3 -0.323660412219E+03 0.64939E-02 -0.79621E-03 5620 0.186E-01 0.186E-01 RMM: 4 -0.323660152264E+03 0.25995E-03 -0.70017E-04 4816 0.545E-02 0.878E-02 RMM: 5 -0.323660109838E+03 0.42426E-04 -0.86436E-05 3670 0.234E-02 0.732E-02 RMM: 6 -0.323660082485E+03 0.27353E-04 -0.22576E-05 2602 0.148E-02 0.490E-02 RMM: 7 -0.323660088064E+03 -0.55784E-05 -0.26463E-05 2616 0.144E-02 3549 T= 5639. E= 0.67511794E+03 F= 0.63260890E+03 E0= 0.66104124E+03 EK= 0.45925E+02 SP= -.36E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323579197355E+03 0.80885E-01 -0.12386E-01 9008 0.226E+01 0.189E-01 RMM: 2 -0.323593666693E+03 -0.14469E-01 -0.10670E-01 5551 0.675E-01 0.869E-01 RMM: 3 -0.323587637336E+03 0.60294E-02 -0.78409E-03 5725 0.185E-01 0.171E-01 RMM: 4 -0.323587418420E+03 0.21892E-03 -0.64484E-04 4877 0.510E-02 0.857E-02 RMM: 5 -0.323587380792E+03 0.37628E-04 -0.75528E-05 3537 0.224E-02 0.748E-02 RMM: 6 -0.323587351386E+03 0.29406E-04 -0.24474E-05 2616 0.154E-02 0.443E-02 RMM: 7 -0.323587356245E+03 -0.48590E-05 -0.28881E-05 2633 0.151E-02 3550 T= 5596. E= 0.67511643E+03 F= 0.63268163E+03 E0= 0.66107993E+03 EK= 0.45570E+02 SP= -.33E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323677360424E+03 -0.90009E-01 -0.12281E-01 9056 0.226E+01 0.197E-01 RMM: 2 -0.323693324059E+03 -0.15964E-01 -0.10611E-01 5515 0.681E-01 0.985E-01 RMM: 3 -0.323685762620E+03 0.75614E-02 -0.82002E-03 5654 0.190E-01 0.188E-01 RMM: 4 -0.323685494392E+03 0.26823E-03 -0.73412E-04 4748 0.561E-02 0.877E-02 RMM: 5 -0.323685459036E+03 0.35356E-04 -0.94569E-05 3715 0.241E-02 0.765E-02 RMM: 6 -0.323685424901E+03 0.34135E-04 -0.24925E-05 2683 0.155E-02 0.439E-02 RMM: 7 -0.323685431661E+03 -0.67600E-05 -0.22743E-05 2579 0.133E-02 3551 T= 5577. E= 0.67511509E+03 F= 0.63258356E+03 E0= 0.66095623E+03 EK= 0.45418E+02 SP= -.30E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323940579254E+03 -0.25515E+00 -0.12071E-01 8976 0.226E+01 0.191E-01 RMM: 2 -0.323954568741E+03 -0.13989E-01 -0.10465E-01 5592 0.684E-01 0.845E-01 RMM: 3 -0.323949027171E+03 0.55416E-02 -0.80931E-03 5721 0.185E-01 0.164E-01 RMM: 4 -0.323948817527E+03 0.20964E-03 -0.62714E-04 4853 0.502E-02 0.909E-02 RMM: 5 -0.323948770443E+03 0.47085E-04 -0.74736E-05 3528 0.223E-02 0.712E-02 RMM: 6 -0.323948745241E+03 0.25202E-04 -0.23689E-05 2605 0.151E-02 0.462E-02 RMM: 7 -0.323948750515E+03 -0.52745E-05 -0.33291E-05 2681 0.162E-02 3552 T= 5583. E= 0.67511378E+03 F= 0.63232024E+03 E0= 0.66067704E+03 EK= 0.45462E+02 SP= -.28E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324366758357E+03 -0.41801E+00 -0.11649E-01 8800 0.227E+01 0.196E-01 RMM: 2 -0.324382701141E+03 -0.15943E-01 -0.10295E-01 5511 0.697E-01 0.100E+00 RMM: 3 -0.324375390501E+03 0.73106E-02 -0.86018E-03 5598 0.190E-01 0.187E-01 RMM: 4 -0.324375123556E+03 0.26695E-03 -0.74664E-04 4696 0.584E-02 0.949E-02 RMM: 5 -0.324375075725E+03 0.47831E-04 -0.97935E-05 3732 0.239E-02 0.760E-02 RMM: 6 -0.324375045639E+03 0.30085E-04 -0.24369E-05 2657 0.155E-02 0.466E-02 RMM: 7 -0.324375053850E+03 -0.82106E-05 -0.23675E-05 2604 0.136E-02 3553 T= 5612. E= 0.67511220E+03 F= 0.63189394E+03 E0= 0.66024300E+03 EK= 0.45698E+02 SP= -.26E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324948621108E+03 -0.57358E+00 -0.10461E-01 8544 0.228E+01 0.192E-01 RMM: 2 -0.324961732201E+03 -0.13111E-01 -0.89600E-02 5550 0.654E-01 0.889E-01 RMM: 3 -0.324955977266E+03 0.57549E-02 -0.75173E-03 5627 0.181E-01 0.187E-01 RMM: 4 -0.324955714531E+03 0.26274E-03 -0.63863E-04 4769 0.521E-02 0.880E-02 RMM: 5 -0.324955671489E+03 0.43041E-04 -0.78383E-05 3568 0.224E-02 0.709E-02 RMM: 6 -0.324955648077E+03 0.23412E-04 -0.22850E-05 2602 0.150E-02 0.483E-02 RMM: 7 -0.324955654001E+03 -0.59235E-05 -0.26681E-05 2621 0.146E-02 3554 T= 5663. E= 0.67510937E+03 F= 0.63131334E+03 E0= 0.65966308E+03 EK= 0.46115E+02 SP= -.24E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325655741053E+03 -0.70009E+00 -0.97881E-02 8008 0.229E+01 0.174E-01 RMM: 2 -0.325667287390E+03 -0.11546E-01 -0.79840E-02 5313 0.636E-01 0.834E-01 RMM: 3 -0.325662312637E+03 0.49748E-02 -0.75538E-03 5649 0.178E-01 0.167E-01 RMM: 4 -0.325662094789E+03 0.21785E-03 -0.60164E-04 4634 0.528E-02 0.878E-02 RMM: 5 -0.325662048918E+03 0.45871E-04 -0.80033E-05 3602 0.225E-02 0.681E-02 RMM: 6 -0.325662025008E+03 0.23909E-04 -0.21779E-05 2570 0.146E-02 0.428E-02 RMM: 7 -0.325662026806E+03 -0.17974E-05 -0.19368E-05 2558 0.127E-02 3555 T= 5732. E= 0.67510450E+03 F= 0.63060696E+03 E0= 0.65896343E+03 EK= 0.46682E+02 SP= -.22E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326433169675E+03 -0.77114E+00 -0.95228E-02 7584 0.232E+01 0.174E-01 RMM: 2 -0.326442810310E+03 -0.96406E-02 -0.66064E-02 5302 0.596E-01 0.793E-01 RMM: 3 -0.326438348838E+03 0.44615E-02 -0.62606E-03 5595 0.166E-01 0.157E-01 RMM: 4 -0.326438170271E+03 0.17857E-03 -0.51786E-04 4611 0.482E-02 0.883E-02 RMM: 5 -0.326438119600E+03 0.50671E-04 -0.72340E-05 3538 0.229E-02 0.661E-02 RMM: 6 -0.326438095441E+03 0.24159E-04 -0.22835E-05 2581 0.148E-02 0.408E-02 RMM: 7 -0.326438091927E+03 0.35144E-05 -0.21410E-05 2533 0.136E-02 3556 T= 5814. E= 0.67509828E+03 F= 0.62983090E+03 E0= 0.65819970E+03 EK= 0.47342E+02 SP= -.21E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327203581478E+03 -0.76549E+00 -0.10081E-01 7680 0.234E+01 0.171E-01 RMM: 2 -0.327213493852E+03 -0.99124E-02 -0.74164E-02 5051 0.658E-01 0.745E-01 RMM: 3 -0.327209753274E+03 0.37406E-02 -0.82252E-03 5733 0.179E-01 0.152E-01 RMM: 4 -0.327209551840E+03 0.20143E-03 -0.50819E-04 4548 0.495E-02 0.925E-02 RMM: 5 -0.327209489733E+03 0.62108E-04 -0.80930E-05 3568 0.248E-02 0.602E-02 RMM: 6 -0.327209470551E+03 0.19181E-04 -0.22786E-05 2563 0.144E-02 3557 T= 5897. E= 0.67509319E+03 F= 0.62905952E+03 E0= 0.65744326E+03 EK= 0.48021E+02 SP= -.20E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327902587653E+03 -0.69310E+00 -0.10215E-01 7584 0.237E+01 0.211E-01 RMM: 2 -0.327916947751E+03 -0.14360E-01 -0.77038E-02 5166 0.663E-01 0.109E+00 RMM: 3 -0.327908815391E+03 0.81324E-02 -0.86595E-03 5494 0.197E-01 0.196E-01 RMM: 4 -0.327908530931E+03 0.28446E-03 -0.72624E-04 4690 0.562E-02 0.828E-02 RMM: 5 -0.327908474665E+03 0.56266E-04 -0.91694E-05 3763 0.250E-02 0.653E-02 RMM: 6 -0.327908456714E+03 0.17951E-04 -0.23547E-05 2558 0.146E-02 3558 T= 5974. E= 0.67509035E+03 F= 0.62836053E+03 E0= 0.65676145E+03 EK= 0.48649E+02 SP= -.19E+01 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328490468002E+03 -0.58199E+00 -0.10184E-01 7664 0.238E+01 0.269E-01 RMM: 2 -0.328509176246E+03 -0.18708E-01 -0.71263E-02 5260 0.657E-01 0.139E+00 RMM: 3 -0.328495901697E+03 0.13275E-01 -0.95996E-03 5395 0.231E-01 0.280E-01 RMM: 4 -0.328495362975E+03 0.53872E-03 -0.10874E-03 4641 0.691E-02 0.891E-02 RMM: 5 -0.328495313108E+03 0.49867E-04 -0.12785E-04 3904 0.281E-02 0.822E-02 RMM: 6 -0.328495278611E+03 0.34497E-04 -0.26544E-05 2605 0.162E-02 0.533E-02 RMM: 7 -0.328495284293E+03 -0.56823E-05 -0.27225E-05 2590 0.157E-02 3559 T= 6040. E= 0.67508981E+03 F= 0.62777370E+03 E0= 0.65619233E+03 EK= 0.49185E+02 SP= -.19E+01 SK= 0.42E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328961273982E+03 -0.46600E+00 -0.10484E-01 7488 0.239E+01 0.251E-01 RMM: 2 -0.328978269524E+03 -0.16996E-01 -0.76973E-02 5149 0.666E-01 0.129E+00 RMM: 3 -0.328967134033E+03 0.11135E-01 -0.93440E-03 5438 0.219E-01 0.263E-01 RMM: 4 -0.328966712246E+03 0.42179E-03 -0.11362E-03 4636 0.733E-02 0.114E-01 RMM: 5 -0.328966673025E+03 0.39221E-04 -0.16550E-04 3873 0.326E-02 0.104E-01 RMM: 6 -0.328966602728E+03 0.70297E-04 -0.42765E-05 3078 0.205E-02 0.336E-02 RMM: 7 -0.328966603584E+03 -0.85595E-06 -0.17161E-05 2507 0.125E-02 3560 T= 6094. E= 0.67509181E+03 F= 0.62730239E+03 E0= 0.65573863E+03 EK= 0.49624E+02 SP= -.18E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329347782071E+03 -0.38118E+00 -0.10637E-01 7560 0.239E+01 0.192E-01 RMM: 2 -0.329360309548E+03 -0.12527E-01 -0.72100E-02 5171 0.626E-01 0.100E+00 RMM: 3 -0.329353516361E+03 0.67932E-02 -0.76632E-03 5492 0.188E-01 0.171E-01 RMM: 4 -0.329353320334E+03 0.19603E-03 -0.62649E-04 4717 0.512E-02 0.945E-02 RMM: 5 -0.329353247124E+03 0.73211E-04 -0.80472E-05 3621 0.243E-02 0.670E-02 RMM: 6 -0.329353222876E+03 0.24248E-04 -0.22865E-05 2575 0.146E-02 0.461E-02 RMM: 7 -0.329353213611E+03 0.92651E-05 -0.34822E-05 2659 0.161E-02 3561 T= 6139. E= 0.67509486E+03 F= 0.62691578E+03 E0= 0.65536559E+03 EK= 0.49994E+02 SP= -.18E+01 SK= 0.41E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329699438578E+03 -0.34622E+00 -0.10841E-01 7712 0.239E+01 0.164E-01 RMM: 2 -0.329708993107E+03 -0.95545E-02 -0.68197E-02 4959 0.629E-01 0.763E-01 RMM: 3 -0.329704988889E+03 0.40042E-02 -0.76156E-03 5686 0.178E-01 0.130E-01 RMM: 4 -0.329704866362E+03 0.12253E-03 -0.48050E-04 4569 0.486E-02 0.102E-01 RMM: 5 -0.329704796546E+03 0.69816E-04 -0.69881E-05 3464 0.233E-02 0.591E-02 RMM: 6 -0.329704779576E+03 0.16970E-04 -0.21247E-05 2539 0.141E-02 3562 T= 6182. E= 0.67509847E+03 F= 0.62656421E+03 E0= 0.65502436E+03 EK= 0.50342E+02 SP= -.18E+01 SK= 0.32E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.330069951580E+03 -0.36516E+00 -0.10956E-01 7544 0.238E+01 0.155E-01 RMM: 2 -0.330081841504E+03 -0.11890E-01 -0.83378E-02 4983 0.670E-01 0.807E-01 RMM: 3 -0.330077091272E+03 0.47502E-02 -0.89908E-03 5586 0.191E-01 0.159E-01 RMM: 4 -0.330076900203E+03 0.19107E-03 -0.59671E-04 4627 0.528E-02 0.958E-02 RMM: 5 -0.330076831290E+03 0.68913E-04 -0.78879E-05 3526 0.247E-02 0.612E-02 RMM: 6 -0.330076814189E+03 0.17102E-04 -0.23198E-05 2540 0.145E-02 3563 T= 6229. E= 0.67510215E+03 F= 0.62619218E+03 E0= 0.65465673E+03 EK= 0.50722E+02 SP= -.18E+01 SK= 0.20E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330514686023E+03 -0.43785E+00 -0.11221E-01 7496 0.238E+01 0.306E-01 RMM: 2 -0.330541059316E+03 -0.26373E-01 -0.90106E-02 5033 0.745E-01 0.170E+00 RMM: 3 -0.330521470350E+03 0.19589E-01 -0.13305E-02 5380 0.275E-01 0.281E-01 RMM: 4 -0.330520890921E+03 0.57943E-03 -0.14271E-03 4725 0.767E-02 0.781E-02 RMM: 5 -0.330520874165E+03 0.16756E-04 -0.15952E-04 4073 0.293E-02 3564 T= 6285. E= 0.67510551E+03 F= 0.62574812E+03 E0= 0.65421101E+03 EK= 0.51184E+02 SP= -.18E+01 SK= 0.75E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331069873639E+03 -0.54898E+00 -0.11055E-01 7480 0.238E+01 0.186E-01 RMM: 2 -0.331083213419E+03 -0.13340E-01 -0.84157E-02 5139 0.669E-01 0.925E-01 RMM: 3 -0.331076974802E+03 0.62386E-02 -0.85608E-03 5505 0.198E-01 0.201E-01 RMM: 4 -0.331076706351E+03 0.26845E-03 -0.73529E-04 4660 0.575E-02 0.107E-01 RMM: 5 -0.331076641839E+03 0.64512E-04 -0.10139E-04 3756 0.263E-02 0.738E-02 RMM: 6 -0.331076619350E+03 0.22489E-04 -0.26525E-05 2638 0.154E-02 0.623E-02 RMM: 7 -0.331076642051E+03 -0.22701E-04 -0.61386E-05 3447 0.208E-02 0.945E-02 RMM: 8 -0.331076584675E+03 0.57376E-04 -0.10001E-04 3888 0.231E-02 0.274E-02 RMM: 9 -0.331076588479E+03 -0.38035E-05 -0.17839E-05 2538 0.123E-02 3565 T= 6357. E= 0.67510772E+03 F= 0.62519240E+03 E0= 0.65364616E+03 EK= 0.51765E+02 SP= -.19E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331763409558E+03 -0.68682E+00 -0.11153E-01 7576 0.239E+01 0.245E-01 RMM: 2 -0.331775491940E+03 -0.12082E-01 -0.10003E-01 4886 0.765E-01 0.794E-01 RMM: 3 -0.331771314518E+03 0.41774E-02 -0.11785E-02 5840 0.209E-01 0.133E-01 RMM: 4 -0.331771528682E+03 -0.21416E-03 -0.92090E-04 4643 0.712E-02 0.278E-01 RMM: 5 -0.331771040362E+03 0.48832E-03 -0.26333E-04 3973 0.437E-02 0.780E-02 RMM: 6 -0.331771006301E+03 0.34062E-04 -0.53440E-05 3274 0.212E-02 0.377E-02 RMM: 7 -0.331771019401E+03 -0.13100E-04 -0.22515E-05 2556 0.149E-02 3566 T= 6445. E= 0.67510808E+03 F= 0.62449797E+03 E0= 0.65293432E+03 EK= 0.52488E+02 SP= -.19E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332606942103E+03 -0.83594E+00 -0.11213E-01 7656 0.240E+01 0.172E-01 RMM: 2 -0.332619410603E+03 -0.12469E-01 -0.10051E-01 5008 0.765E-01 0.745E-01 RMM: 3 -0.332615622395E+03 0.37882E-02 -0.11374E-02 5956 0.200E-01 0.137E-01 RMM: 4 -0.332615347013E+03 0.27538E-03 -0.53037E-04 4786 0.516E-02 0.913E-02 RMM: 5 -0.332615282351E+03 0.64662E-04 -0.71187E-05 3538 0.243E-02 0.561E-02 RMM: 6 -0.332615275037E+03 0.73140E-05 -0.22743E-05 2536 0.138E-02 3567 T= 6553. E= 0.67510764E+03 F= 0.62365371E+03 E0= 0.65206405E+03 EK= 0.53363E+02 SP= -.19E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333594545874E+03 -0.97926E+00 -0.12179E-01 7496 0.241E+01 0.229E-01 RMM: 2 -0.333618175401E+03 -0.23630E-01 -0.12301E-01 4855 0.841E-01 0.135E+00 RMM: 3 -0.333605177616E+03 0.12998E-01 -0.14665E-02 5524 0.254E-01 0.221E-01 RMM: 4 -0.333604773963E+03 0.40365E-03 -0.11008E-03 4996 0.671E-02 0.822E-02 RMM: 5 -0.333604726956E+03 0.47007E-04 -0.12649E-04 4026 0.294E-02 0.650E-02 RMM: 6 -0.333604713249E+03 0.13707E-04 -0.26037E-05 2568 0.147E-02 3568 T= 6678. E= 0.67510561E+03 F= 0.62266428E+03 E0= 0.65104221E+03 EK= 0.54380E+02 SP= -.19E+01 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334706510154E+03 -0.11018E+01 -0.11576E-01 7472 0.244E+01 0.375E-01 RMM: 2 -0.334746909256E+03 -0.40399E-01 -0.11399E-01 4966 0.847E-01 0.215E+00 RMM: 3 -0.334715027528E+03 0.31882E-01 -0.18084E-02 5370 0.329E-01 0.358E-01 RMM: 4 -0.334714110598E+03 0.91693E-03 -0.21686E-03 5085 0.968E-02 0.995E-02 RMM: 5 -0.334714093221E+03 0.17377E-04 -0.24036E-04 3973 0.333E-02 0.112E-01 RMM: 6 -0.334714010954E+03 0.82267E-04 -0.50444E-05 3211 0.209E-02 0.438E-02 RMM: 7 -0.334714013279E+03 -0.23253E-05 -0.21791E-05 2541 0.138E-02 3569 T= 6816. E= 0.67510181E+03 F= 0.62155498E+03 E0= 0.64989330E+03 EK= 0.55509E+02 SP= -.20E+01 SK= 0.52E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335885664500E+03 -0.11717E+01 -0.12381E-01 7584 0.247E+01 0.283E-01 RMM: 2 -0.335912490986E+03 -0.26826E-01 -0.12158E-01 4805 0.843E-01 0.154E+00 RMM: 3 -0.335895922773E+03 0.16568E-01 -0.16130E-02 5422 0.290E-01 0.315E-01 RMM: 4 -0.335895239310E+03 0.68346E-03 -0.16470E-03 4976 0.842E-02 0.904E-02 RMM: 5 -0.335895231223E+03 0.80870E-05 -0.20953E-04 3906 0.343E-02 0.104E-01 RMM: 6 -0.335895160389E+03 0.70834E-04 -0.47270E-05 3150 0.201E-02 0.412E-02 RMM: 7 -0.335895165946E+03 -0.55570E-05 -0.24191E-05 2549 0.148E-02 3570 T= 6962. E= 0.67509645E+03 F= 0.62037382E+03 E0= 0.64866820E+03 EK= 0.56695E+02 SP= -.20E+01 SK= 0.30E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.337072750823E+03 -0.11776E+01 -0.12279E-01 7680 0.250E+01 0.220E-01 RMM: 2 -0.337091726069E+03 -0.18975E-01 -0.11660E-01 4856 0.835E-01 0.114E+00 RMM: 3 -0.337082834739E+03 0.88913E-02 -0.13841E-02 5609 0.243E-01 0.210E-01 RMM: 4 -0.337082472669E+03 0.36207E-03 -0.98161E-04 4753 0.687E-02 0.102E-01 RMM: 5 -0.337082418158E+03 0.54511E-04 -0.14273E-04 3876 0.313E-02 0.792E-02 RMM: 6 -0.337082377778E+03 0.40379E-04 -0.33734E-05 2828 0.174E-02 0.407E-02 RMM: 7 -0.337082378377E+03 -0.59894E-06 -0.21803E-05 2520 0.146E-02 3571 T= 7106. E= 0.67509009E+03 F= 0.61918661E+03 E0= 0.64743402E+03 EK= 0.57867E+02 SP= -.20E+01 SK= 0.74E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.338188146406E+03 -0.11058E+01 -0.12902E-01 7552 0.252E+01 0.191E-01 RMM: 2 -0.338203912617E+03 -0.15766E-01 -0.11591E-01 4884 0.832E-01 0.891E-01 RMM: 3 -0.338198301075E+03 0.56115E-02 -0.13603E-02 5769 0.225E-01 0.163E-01 RMM: 4 -0.338197986195E+03 0.31488E-03 -0.74385E-04 4750 0.628E-02 0.100E-01 RMM: 5 -0.338197918407E+03 0.67788E-04 -0.11308E-04 3743 0.294E-02 0.642E-02 RMM: 6 -0.338197896509E+03 0.21898E-04 -0.26410E-05 2575 0.152E-02 0.417E-02 RMM: 7 -0.338197892455E+03 0.40535E-05 -0.19003E-05 2510 0.135E-02 3572 T= 7238. E= 0.67508352E+03 F= 0.61807110E+03 E0= 0.64627231E+03 EK= 0.58942E+02 SP= -.19E+01 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.339152918555E+03 -0.95502E+00 -0.13192E-01 7520 0.255E+01 0.166E-01 RMM: 2 -0.339164917468E+03 -0.11999E-01 -0.10529E-01 4898 0.797E-01 0.641E-01 RMM: 3 -0.339162152770E+03 0.27647E-02 -0.11964E-02 5932 0.205E-01 0.133E-01 RMM: 4 -0.339161932759E+03 0.22001E-03 -0.56119E-04 4646 0.583E-02 0.125E-01 RMM: 5 -0.339161824978E+03 0.10778E-03 -0.10015E-04 3665 0.298E-02 0.578E-02 RMM: 6 -0.339161809656E+03 0.15322E-04 -0.24689E-05 2549 0.147E-02 3573 T= 7348. E= 0.67507823E+03 F= 0.61710718E+03 E0= 0.64526625E+03 EK= 0.59834E+02 SP= -.19E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339897377495E+03 -0.73555E+00 -0.12953E-01 7392 0.257E+01 0.188E-01 RMM: 2 -0.339910812667E+03 -0.13435E-01 -0.97901E-02 4981 0.770E-01 0.849E-01 RMM: 3 -0.339905856051E+03 0.49566E-02 -0.11089E-02 5681 0.211E-01 0.162E-01 RMM: 4 -0.339905626454E+03 0.22960E-03 -0.65256E-04 4698 0.575E-02 0.104E-01 RMM: 5 -0.339905552803E+03 0.73652E-04 -0.96720E-05 3680 0.271E-02 0.657E-02 RMM: 6 -0.339905533025E+03 0.19777E-04 -0.25436E-05 2575 0.151E-02 3574 T= 7426. E= 0.67507521E+03 F= 0.61636346E+03 E0= 0.64448768E+03 EK= 0.60471E+02 SP= -.18E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340375303683E+03 -0.46975E+00 -0.13075E-01 7248 0.258E+01 0.295E-01 RMM: 2 -0.340400418593E+03 -0.25115E-01 -0.97031E-02 5033 0.799E-01 0.159E+00 RMM: 3 -0.340382929015E+03 0.17490E-01 -0.12989E-02 5378 0.268E-01 0.261E-01 RMM: 4 -0.340382443872E+03 0.48514E-03 -0.13700E-03 4722 0.785E-02 0.962E-02 RMM: 5 -0.340382401991E+03 0.41881E-04 -0.16664E-04 3929 0.323E-02 0.884E-02 RMM: 6 -0.340382356635E+03 0.45356E-04 -0.33798E-05 2815 0.178E-02 0.485E-02 RMM: 7 -0.340382359413E+03 -0.27783E-05 -0.25662E-05 2538 0.159E-02 3575 T= 7466. E= 0.67507400E+03 F= 0.61588663E+03 E0= 0.64398534E+03 EK= 0.60801E+02 SP= -.17E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340565007173E+03 -0.18265E+00 -0.13295E-01 7456 0.258E+01 0.259E-01 RMM: 2 -0.340583265701E+03 -0.18259E-01 -0.95427E-02 4935 0.782E-01 0.124E+00 RMM: 3 -0.340572717032E+03 0.10549E-01 -0.12150E-02 5393 0.251E-01 0.246E-01 RMM: 4 -0.340572359535E+03 0.35750E-03 -0.12880E-03 4759 0.791E-02 0.126E-01 RMM: 5 -0.340572326646E+03 0.32889E-04 -0.18842E-04 3889 0.343E-02 0.118E-01 RMM: 6 -0.340572233864E+03 0.92782E-04 -0.50136E-05 3205 0.214E-02 0.315E-02 RMM: 7 -0.340572232629E+03 0.12345E-05 -0.16633E-05 2494 0.129E-02 3576 T= 7467. E= 0.67507533E+03 F= 0.61569676E+03 E0= 0.64378084E+03 EK= 0.60804E+02 SP= -.15E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340476972093E+03 0.95262E-01 -0.13231E-01 7416 0.257E+01 0.210E-01 RMM: 2 -0.340492642654E+03 -0.15671E-01 -0.95722E-02 4886 0.771E-01 0.105E+00 RMM: 3 -0.340485102130E+03 0.75405E-02 -0.11331E-02 5515 0.227E-01 0.173E-01 RMM: 4 -0.340484900329E+03 0.20180E-03 -0.78622E-04 4680 0.622E-02 0.112E-01 RMM: 5 -0.340484815530E+03 0.84799E-04 -0.11832E-04 3792 0.304E-02 0.667E-02 RMM: 6 -0.340484788391E+03 0.27138E-04 -0.30836E-05 2740 0.167E-02 0.415E-02 RMM: 7 -0.340484785848E+03 0.25437E-05 -0.22862E-05 2512 0.148E-02 3577 T= 7428. E= 0.67507810E+03 F= 0.61578420E+03 E0= 0.64386430E+03 EK= 0.60489E+02 SP= -.13E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340144310845E+03 0.34048E+00 -0.12869E-01 7504 0.255E+01 0.176E-01 RMM: 2 -0.340156649276E+03 -0.12338E-01 -0.97940E-02 4781 0.788E-01 0.760E-01 RMM: 3 -0.340152875596E+03 0.37737E-02 -0.12133E-02 5801 0.216E-01 0.137E-01 RMM: 4 -0.340152670420E+03 0.20518E-03 -0.60927E-04 4712 0.587E-02 0.111E-01 RMM: 5 -0.340152593018E+03 0.77402E-04 -0.96762E-05 3640 0.294E-02 0.542E-02 RMM: 6 -0.340152579008E+03 0.14010E-04 -0.22953E-05 2537 0.140E-02 3578 T= 7355. E= 0.67508248E+03 F= 0.61611641E+03 E0= 0.64420256E+03 EK= 0.59893E+02 SP= -.11E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339613076120E+03 0.53952E+00 -0.13633E-01 7432 0.253E+01 0.171E-01 RMM: 2 -0.339629374587E+03 -0.16298E-01 -0.13268E-01 4677 0.907E-01 0.782E-01 RMM: 3 -0.339625192958E+03 0.41816E-02 -0.16605E-02 5908 0.241E-01 0.164E-01 RMM: 4 -0.339624797489E+03 0.39547E-03 -0.73746E-04 4760 0.660E-02 0.920E-02 RMM: 5 -0.339624743331E+03 0.54157E-04 -0.11307E-04 3885 0.316E-02 0.635E-02 RMM: 6 -0.339624723673E+03 0.19659E-04 -0.27205E-05 2555 0.159E-02 3579 T= 7253. E= 0.67508794E+03 F= 0.61664427E+03 E0= 0.64474499E+03 EK= 0.59068E+02 SP= -.79E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338948189269E+03 0.67655E+00 -0.13410E-01 7352 0.250E+01 0.271E-01 RMM: 2 -0.338973286806E+03 -0.25098E-01 -0.11609E-01 4700 0.877E-01 0.148E+00 RMM: 3 -0.338958028531E+03 0.15258E-01 -0.16153E-02 5409 0.290E-01 0.245E-01 RMM: 4 -0.338957578274E+03 0.45026E-03 -0.14045E-03 4843 0.778E-02 0.776E-02 RMM: 5 -0.338957562048E+03 0.16226E-04 -0.16910E-04 4330 0.305E-02 3580 T= 7132. E= 0.67509433E+03 F= 0.61731143E+03 E0= 0.64543387E+03 EK= 0.58078E+02 SP= -.49E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338195773448E+03 0.76180E+00 -0.12457E-01 7232 0.247E+01 0.193E-01 RMM: 2 -0.338212439812E+03 -0.16666E-01 -0.96150E-02 4825 0.760E-01 0.108E+00 RMM: 3 -0.338204203229E+03 0.82366E-02 -0.11630E-02 5438 0.234E-01 0.183E-01 RMM: 4 -0.338203951261E+03 0.25197E-03 -0.86243E-04 4670 0.639E-02 0.897E-02 RMM: 5 -0.338203914358E+03 0.36903E-04 -0.11111E-04 3891 0.289E-02 0.723E-02 RMM: 6 -0.338203889015E+03 0.25343E-04 -0.25809E-05 2559 0.150E-02 0.507E-02 RMM: 7 -0.338203904393E+03 -0.15378E-04 -0.40232E-05 2986 0.175E-02 3581 T= 6997. E= 0.67509962E+03 F= 0.61806508E+03 E0= 0.64621496E+03 EK= 0.56979E+02 SP= -.17E+00 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337400223661E+03 0.80367E+00 -0.11757E-01 7312 0.245E+01 0.214E-01 RMM: 2 -0.337413899191E+03 -0.13676E-01 -0.10588E-01 4673 0.822E-01 0.835E-01 RMM: 3 -0.337409251577E+03 0.46476E-02 -0.13339E-02 5791 0.228E-01 0.163E-01 RMM: 4 -0.337409110366E+03 0.14121E-03 -0.88712E-04 4727 0.720E-02 0.174E-01 RMM: 5 -0.337408951633E+03 0.15873E-03 -0.16645E-04 3806 0.355E-02 0.850E-02 RMM: 6 -0.337408906381E+03 0.45252E-04 -0.43217E-05 3084 0.200E-02 0.257E-02 RMM: 7 -0.337408912688E+03 -0.63066E-05 -0.15520E-05 2496 0.127E-02 3582 T= 6855. E= 0.67510282E+03 F= 0.61886008E+03 E0= 0.64704049E+03 EK= 0.55824E+02 SP= 0.18E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336596302310E+03 0.81260E+00 -0.11581E-01 7624 0.242E+01 0.158E-01 RMM: 2 -0.336609304001E+03 -0.13002E-01 -0.10683E-01 4773 0.816E-01 0.717E-01 RMM: 3 -0.336605921006E+03 0.33830E-02 -0.12978E-02 5879 0.216E-01 0.131E-01 RMM: 4 -0.336605670064E+03 0.25094E-03 -0.56020E-04 4696 0.583E-02 0.101E-01 RMM: 5 -0.336605588698E+03 0.81366E-04 -0.89820E-05 3614 0.292E-02 0.506E-02 RMM: 6 -0.336605578212E+03 0.10486E-04 -0.25622E-05 2548 0.144E-02 3583 T= 6711. E= 0.67510602E+03 F= 0.61966341E+03 E0= 0.64787611E+03 EK= 0.54654E+02 SP= 0.53E+00 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335805623170E+03 0.79997E+00 -0.11782E-01 7328 0.240E+01 0.142E-01 RMM: 2 -0.335821066478E+03 -0.15443E-01 -0.12739E-01 4675 0.876E-01 0.721E-01 RMM: 3 -0.335817395798E+03 0.36707E-02 -0.15930E-02 5945 0.230E-01 0.123E-01 RMM: 4 -0.335817083577E+03 0.31222E-03 -0.63736E-04 4709 0.613E-02 0.876E-02 RMM: 5 -0.335817035994E+03 0.47583E-04 -0.89763E-05 3699 0.298E-02 0.552E-02 RMM: 6 -0.335817028507E+03 0.74868E-05 -0.25222E-05 2541 0.153E-02 3584 T= 6569. E= 0.67510892E+03 F= 0.62045196E+03 E0= 0.64869742E+03 EK= 0.53498E+02 SP= 0.89E+00 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335050619719E+03 0.76642E+00 -0.11124E-01 7224 0.238E+01 0.335E-01 RMM: 2 -0.335084485154E+03 -0.33865E-01 -0.12772E-01 4768 0.908E-01 0.185E+00 RMM: 3 -0.335060770894E+03 0.23714E-01 -0.17955E-02 5382 0.313E-01 0.295E-01 RMM: 4 -0.335060123013E+03 0.64788E-03 -0.18809E-03 5009 0.893E-02 0.966E-02 RMM: 5 -0.335060116057E+03 0.69557E-05 -0.23202E-04 3964 0.340E-02 0.104E-01 RMM: 6 -0.335060045138E+03 0.70920E-04 -0.46905E-05 3130 0.201E-02 0.370E-02 RMM: 7 -0.335060044172E+03 0.96625E-06 -0.15256E-05 2503 0.119E-02 3585 T= 6432. E= 0.67511093E+03 F= 0.62120895E+03 E0= 0.64948570E+03 EK= 0.52377E+02 SP= 0.13E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334336772495E+03 0.72327E+00 -0.11245E-01 7416 0.236E+01 0.258E-01 RMM: 2 -0.334358201349E+03 -0.21429E-01 -0.12352E-01 4758 0.866E-01 0.125E+00 RMM: 3 -0.334347358929E+03 0.10842E-01 -0.15809E-02 5436 0.275E-01 0.270E-01 RMM: 4 -0.334346852630E+03 0.50630E-03 -0.14086E-03 4840 0.789E-02 0.100E-01 RMM: 5 -0.334346839130E+03 0.13500E-04 -0.19646E-04 3939 0.348E-02 3586 T= 6301. E= 0.67511389E+03 F= 0.62192215E+03 E0= 0.65022866E+03 EK= 0.51312E+02 SP= 0.16E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333682374843E+03 0.66448E+00 -0.10966E-01 7336 0.233E+01 0.202E-01 RMM: 2 -0.333700958737E+03 -0.18584E-01 -0.11187E-01 4910 0.814E-01 0.114E+00 RMM: 3 -0.333692159225E+03 0.87995E-02 -0.13263E-02 5607 0.234E-01 0.176E-01 RMM: 4 -0.333691844753E+03 0.31447E-03 -0.82209E-04 4919 0.601E-02 0.829E-02 RMM: 5 -0.333691794176E+03 0.50577E-04 -0.10472E-04 3958 0.277E-02 0.658E-02 RMM: 6 -0.333691777082E+03 0.17094E-04 -0.27303E-05 2563 0.156E-02 3587 T= 6179. E= 0.67511727E+03 F= 0.62257721E+03 E0= 0.65091158E+03 EK= 0.50319E+02 SP= 0.20E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333103992971E+03 0.58780E+00 -0.10648E-01 7224 0.232E+01 0.219E-01 RMM: 2 -0.333124107098E+03 -0.20114E-01 -0.11072E-01 4783 0.807E-01 0.122E+00 RMM: 3 -0.333113677700E+03 0.10429E-01 -0.13934E-02 5471 0.251E-01 0.214E-01 RMM: 4 -0.333113357381E+03 0.32032E-03 -0.11167E-03 4734 0.696E-02 0.100E-01 RMM: 5 -0.333113308841E+03 0.48540E-04 -0.14602E-04 3973 0.309E-02 0.763E-02 RMM: 6 -0.333113272116E+03 0.36725E-04 -0.28927E-05 2714 0.158E-02 0.404E-02 RMM: 7 -0.333113273907E+03 -0.17907E-05 -0.17682E-05 2496 0.137E-02 3588 T= 6069. E= 0.67511983E+03 F= 0.62315572E+03 E0= 0.65151548E+03 EK= 0.49420E+02 SP= 0.23E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332623532924E+03 0.48974E+00 -0.10263E-01 7248 0.230E+01 0.332E-01 RMM: 2 -0.332656644292E+03 -0.33111E-01 -0.12393E-01 4790 0.879E-01 0.183E+00 RMM: 3 -0.332633339683E+03 0.23305E-01 -0.17147E-02 5386 0.302E-01 0.284E-01 RMM: 4 -0.332632804744E+03 0.53494E-03 -0.19460E-03 5046 0.920E-02 0.125E-01 RMM: 5 -0.332632806164E+03 -0.14200E-05 -0.25279E-04 3908 0.358E-02 0.130E-01 RMM: 6 -0.332632693808E+03 0.11236E-03 -0.63199E-05 3374 0.228E-02 0.307E-02 RMM: 7 -0.332632690358E+03 0.34496E-05 -0.15424E-05 2513 0.114E-02 3589 T= 5973. E= 0.67512211E+03 F= 0.62363630E+03 E0= 0.65201917E+03 EK= 0.48639E+02 SP= 0.26E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332260018424E+03 0.37268E+00 -0.10690E-01 7448 0.228E+01 0.205E-01 RMM: 2 -0.332276978206E+03 -0.16960E-01 -0.11448E-01 4734 0.829E-01 0.101E+00 RMM: 3 -0.332270075124E+03 0.69031E-02 -0.14226E-02 5661 0.240E-01 0.174E-01 RMM: 4 -0.332269763187E+03 0.31194E-03 -0.86014E-04 4825 0.631E-02 0.961E-02 RMM: 5 -0.332269716654E+03 0.46532E-04 -0.12202E-04 3827 0.303E-02 0.714E-02 RMM: 6 -0.332269684302E+03 0.32352E-04 -0.29869E-05 2651 0.164E-02 0.354E-02 RMM: 7 -0.332269685544E+03 -0.12414E-05 -0.17137E-05 2504 0.129E-02 3590 T= 5894. E= 0.67512464E+03 F= 0.62399930E+03 E0= 0.65240273E+03 EK= 0.47999E+02 SP= 0.30E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332030361028E+03 0.23932E+00 -0.11316E-01 7552 0.227E+01 0.166E-01 RMM: 2 -0.332046282166E+03 -0.15921E-01 -0.13191E-01 4702 0.875E-01 0.749E-01 RMM: 3 -0.332042261758E+03 0.40204E-02 -0.16044E-02 5965 0.230E-01 0.160E-01 RMM: 4 -0.332041857177E+03 0.40458E-03 -0.72546E-04 4742 0.638E-02 0.847E-02 RMM: 5 -0.332041821996E+03 0.35180E-04 -0.10287E-04 3735 0.294E-02 0.579E-02 RMM: 6 -0.332041804363E+03 0.17633E-04 -0.24401E-05 2550 0.149E-02 3591 T= 5835. E= 0.67512636E+03 F= 0.62422718E+03 E0= 0.65264803E+03 EK= 0.47517E+02 SP= 0.32E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331948177077E+03 0.93645E-01 -0.10428E-01 7392 0.227E+01 0.158E-01 RMM: 2 -0.331962168054E+03 -0.13991E-01 -0.11242E-01 4717 0.806E-01 0.741E-01 RMM: 3 -0.331958345698E+03 0.38224E-02 -0.13868E-02 5894 0.220E-01 0.166E-01 RMM: 4 -0.331957990828E+03 0.35487E-03 -0.62000E-04 4716 0.582E-02 0.835E-02 RMM: 5 -0.331957945008E+03 0.45820E-04 -0.87514E-05 3693 0.266E-02 0.632E-02 RMM: 6 -0.331957928578E+03 0.16430E-04 -0.23584E-05 2529 0.147E-02 3592 T= 5796. E= 0.67512672E+03 F= 0.62431106E+03 E0= 0.65274579E+03 EK= 0.47203E+02 SP= 0.35E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332004377959E+03 -0.46433E-01 -0.10663E-01 7360 0.227E+01 0.272E-01 RMM: 2 -0.332031243665E+03 -0.26866E-01 -0.11882E-01 4691 0.843E-01 0.157E+00 RMM: 3 -0.332014371058E+03 0.16873E-01 -0.16163E-02 5425 0.286E-01 0.261E-01 RMM: 4 -0.332013853249E+03 0.51781E-03 -0.14854E-03 4824 0.778E-02 0.735E-02 RMM: 5 -0.332013839631E+03 0.13619E-04 -0.17279E-04 4166 0.306E-02 3593 T= 5778. E= 0.67512683E+03 F= 0.62425515E+03 E0= 0.65269897E+03 EK= 0.47054E+02 SP= 0.37E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332184366226E+03 -0.17051E+00 -0.10659E-01 7688 0.227E+01 0.180E-01 RMM: 2 -0.332199167020E+03 -0.14801E-01 -0.95437E-02 4847 0.722E-01 0.941E-01 RMM: 3 -0.332192701180E+03 0.64658E-02 -0.11296E-02 5524 0.224E-01 0.184E-01 RMM: 4 -0.332192436415E+03 0.26477E-03 -0.79669E-04 4710 0.602E-02 0.909E-02 RMM: 5 -0.332192391553E+03 0.44861E-04 -0.97224E-05 3754 0.265E-02 0.690E-02 RMM: 6 -0.332192373420E+03 0.18133E-04 -0.25327E-05 2552 0.149E-02 3594 T= 5778. E= 0.67512606E+03 F= 0.62407662E+03 E0= 0.65252457E+03 EK= 0.47051E+02 SP= 0.39E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332456926887E+03 -0.26454E+00 -0.10640E-01 7504 0.228E+01 0.244E-01 RMM: 2 -0.332477679277E+03 -0.20752E-01 -0.10444E-01 4728 0.769E-01 0.130E+00 RMM: 3 -0.332465692467E+03 0.11987E-01 -0.13602E-02 5493 0.255E-01 0.220E-01 RMM: 4 -0.332465333709E+03 0.35876E-03 -0.12030E-03 4720 0.722E-02 0.104E-01 RMM: 5 -0.332465307822E+03 0.25888E-04 -0.16177E-04 3890 0.329E-02 0.892E-02 RMM: 6 -0.332465255459E+03 0.52363E-04 -0.35356E-05 2921 0.177E-02 0.345E-02 RMM: 7 -0.332465256926E+03 -0.14671E-05 -0.15329E-05 2496 0.128E-02 3595 T= 5792. E= 0.67512406E+03 F= 0.62380373E+03 E0= 0.65224990E+03 EK= 0.47166E+02 SP= 0.41E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332789673407E+03 -0.32442E+00 -0.10771E-01 7848 0.228E+01 0.261E-01 RMM: 2 -0.332811056670E+03 -0.21383E-01 -0.10931E-01 4812 0.789E-01 0.133E+00 RMM: 3 -0.332798691806E+03 0.12365E-01 -0.14364E-02 5477 0.266E-01 0.228E-01 RMM: 4 -0.332798325414E+03 0.36639E-03 -0.12861E-03 4810 0.740E-02 0.111E-01 RMM: 5 -0.332798284143E+03 0.41270E-04 -0.17149E-04 3885 0.333E-02 0.969E-02 RMM: 6 -0.332798223422E+03 0.60721E-04 -0.42895E-05 3048 0.196E-02 0.344E-02 RMM: 7 -0.332798220925E+03 0.24973E-05 -0.15091E-05 2494 0.125E-02 3596 T= 5816. E= 0.67512209E+03 F= 0.62347077E+03 E0= 0.65190917E+03 EK= 0.47364E+02 SP= 0.43E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333148742296E+03 -0.35052E+00 -0.11409E-01 7768 0.229E+01 0.203E-01 RMM: 2 -0.333166845965E+03 -0.18104E-01 -0.12002E-01 4792 0.812E-01 0.105E+00 RMM: 3 -0.333159195978E+03 0.76500E-02 -0.14440E-02 5807 0.235E-01 0.172E-01 RMM: 4 -0.333158840236E+03 0.35574E-03 -0.83080E-04 4810 0.626E-02 0.100E-01 RMM: 5 -0.333158788381E+03 0.51855E-04 -0.11664E-04 3780 0.291E-02 0.692E-02 RMM: 6 -0.333158760607E+03 0.27774E-04 -0.27422E-05 2619 0.157E-02 0.387E-02 RMM: 7 -0.333158763426E+03 -0.28193E-05 -0.17030E-05 2516 0.126E-02 3597 T= 5847. E= 0.67512076E+03 F= 0.62311023E+03 E0= 0.65153590E+03 EK= 0.47614E+02 SP= 0.44E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333514809913E+03 -0.35605E+00 -0.11520E-01 7832 0.230E+01 0.194E-01 RMM: 2 -0.333530987460E+03 -0.16178E-01 -0.12088E-01 4819 0.809E-01 0.890E-01 RMM: 3 -0.333525374754E+03 0.56127E-02 -0.14208E-02 5978 0.222E-01 0.174E-01 RMM: 4 -0.333524972688E+03 0.40207E-03 -0.77985E-04 4686 0.655E-02 0.106E-01 RMM: 5 -0.333524907458E+03 0.65230E-04 -0.11716E-04 3726 0.286E-02 0.653E-02 RMM: 6 -0.333524885565E+03 0.21893E-04 -0.25666E-05 2608 0.154E-02 0.338E-02 RMM: 7 -0.333524886968E+03 -0.14033E-05 -0.13908E-05 2496 0.117E-02 3598 T= 5881. E= 0.67512032E+03 F= 0.62274410E+03 E0= 0.65115412E+03 EK= 0.47892E+02 SP= 0.45E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333873533425E+03 -0.34865E+00 -0.12332E-01 7760 0.230E+01 0.181E-01 RMM: 2 -0.333891536322E+03 -0.18003E-01 -0.15076E-01 4755 0.898E-01 0.790E-01 RMM: 3 -0.333887033542E+03 0.45028E-02 -0.17834E-02 6177 0.231E-01 0.150E-01 RMM: 4 -0.333886573382E+03 0.46016E-03 -0.75277E-04 4707 0.676E-02 0.124E-01 RMM: 5 -0.333886485276E+03 0.88107E-04 -0.11871E-04 3757 0.303E-02 0.678E-02 RMM: 6 -0.333886460571E+03 0.24705E-04 -0.27177E-05 2629 0.158E-02 0.355E-02 RMM: 7 -0.333886462368E+03 -0.17968E-05 -0.17068E-05 2509 0.126E-02 3599 T= 5917. E= 0.67512082E+03 F= 0.62238253E+03 E0= 0.65077562E+03 EK= 0.48187E+02 SP= 0.45E+01 SK= 0.78E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334234345568E+03 -0.34788E+00 -0.11865E-01 7840 0.230E+01 0.184E-01 RMM: 2 -0.334250547419E+03 -0.16202E-01 -0.13186E-01 4899 0.830E-01 0.798E-01 RMM: 3 -0.334245856347E+03 0.46911E-02 -0.14930E-02 6082 0.216E-01 0.156E-01 RMM: 4 -0.334245433112E+03 0.42323E-03 -0.69865E-04 4698 0.632E-02 0.109E-01 RMM: 5 -0.334245363764E+03 0.69348E-04 -0.10964E-04 3718 0.285E-02 0.632E-02 RMM: 6 -0.334245344074E+03 0.19689E-04 -0.25652E-05 2603 0.154E-02 3600 T= 5956. E= 0.67512169E+03 F= 0.62202365E+03 E0= 0.65040068E+03 EK= 0.48500E+02 SP= 0.46E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334597394127E+03 -0.35203E+00 -0.12767E-01 7792 0.231E+01 0.185E-01 RMM: 2 -0.334616814231E+03 -0.19420E-01 -0.15157E-01 4823 0.890E-01 0.903E-01 RMM: 3 -0.334610768646E+03 0.60456E-02 -0.17134E-02 6017 0.236E-01 0.173E-01 RMM: 4 -0.334610280320E+03 0.48833E-03 -0.78461E-04 4844 0.641E-02 0.918E-02 RMM: 5 -0.334610228867E+03 0.51453E-04 -0.10862E-04 3969 0.268E-02 0.664E-02 RMM: 6 -0.334610210076E+03 0.18791E-04 -0.24079E-05 2559 0.147E-02 3601 T= 5997. E= 0.67512222E+03 F= 0.62165878E+03 E0= 0.65002244E+03 EK= 0.48838E+02 SP= 0.46E+01 SK= 0.86E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334977325579E+03 -0.36710E+00 -0.11491E-01 8072 0.231E+01 0.265E-01 RMM: 2 -0.335000637639E+03 -0.23312E-01 -0.11777E-01 4921 0.804E-01 0.139E+00 RMM: 3 -0.334987029342E+03 0.13608E-01 -0.14372E-02 5517 0.259E-01 0.264E-01 RMM: 4 -0.334986446390E+03 0.58295E-03 -0.13019E-03 4768 0.760E-02 0.878E-02 RMM: 5 -0.334986431182E+03 0.15208E-04 -0.16830E-04 3940 0.312E-02 3602 T= 6042. E= 0.67512273E+03 F= 0.62128256E+03 E0= 0.64963667E+03 EK= 0.49204E+02 SP= 0.46E+01 SK= 0.11E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.335360121932E+03 -0.37368E+00 -0.11512E-01 8232 0.232E+01 0.203E-01 RMM: 2 -0.335379304068E+03 -0.19182E-01 -0.12574E-01 4973 0.802E-01 0.107E+00 RMM: 3 -0.335371061824E+03 0.82422E-02 -0.14160E-02 5734 0.231E-01 0.198E-01 RMM: 4 -0.335370622110E+03 0.43971E-03 -0.91136E-04 4807 0.639E-02 0.906E-02 RMM: 5 -0.335370581314E+03 0.40796E-04 -0.11129E-04 3919 0.268E-02 0.701E-02 RMM: 6 -0.335370559849E+03 0.21466E-04 -0.22006E-05 2547 0.138E-02 0.555E-02 RMM: 7 -0.335370574748E+03 -0.14899E-04 -0.41301E-05 3001 0.179E-02 3603 T= 6090. E= 0.67512185E+03 F= 0.62089841E+03 E0= 0.64924729E+03 EK= 0.49593E+02 SP= 0.46E+01 SK= 0.41E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335735099639E+03 -0.36454E+00 -0.11728E-01 7872 0.233E+01 0.247E-01 RMM: 2 -0.335752867770E+03 -0.17768E-01 -0.12483E-01 4813 0.824E-01 0.103E+00 RMM: 3 -0.335745353531E+03 0.75142E-02 -0.14394E-02 5733 0.238E-01 0.196E-01 RMM: 4 -0.335745025928E+03 0.32760E-03 -0.10662E-03 4805 0.720E-02 0.145E-01 RMM: 5 -0.335744973703E+03 0.52225E-04 -0.19174E-04 3888 0.351E-02 0.115E-01 RMM: 6 -0.335744888793E+03 0.84910E-04 -0.60969E-05 3368 0.231E-02 0.283E-02 RMM: 7 -0.335744892361E+03 -0.35682E-05 -0.15336E-05 2513 0.121E-02 3604 T= 6138. E= 0.67511955E+03 F= 0.62052410E+03 E0= 0.64887307E+03 EK= 0.49986E+02 SP= 0.46E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336063987032E+03 -0.31910E+00 -0.11600E-01 7744 0.235E+01 0.168E-01 RMM: 2 -0.336079872451E+03 -0.15885E-01 -0.12692E-01 4781 0.843E-01 0.806E-01 RMM: 3 -0.336075367126E+03 0.45053E-02 -0.14946E-02 5986 0.225E-01 0.151E-01 RMM: 4 -0.336074998779E+03 0.36835E-03 -0.67355E-04 4791 0.602E-02 0.995E-02 RMM: 5 -0.336074923534E+03 0.75245E-04 -0.95769E-05 3650 0.285E-02 0.576E-02 RMM: 6 -0.336074907725E+03 0.15808E-04 -0.24523E-05 2552 0.143E-02 3605 T= 6183. E= 0.67511730E+03 F= 0.62019408E+03 E0= 0.64854635E+03 EK= 0.50348E+02 SP= 0.46E+01 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336308705391E+03 -0.23378E+00 -0.11411E-01 7560 0.236E+01 0.200E-01 RMM: 2 -0.336324322052E+03 -0.15617E-01 -0.10691E-01 4825 0.773E-01 0.939E-01 RMM: 3 -0.336317943212E+03 0.63788E-02 -0.12587E-02 5644 0.228E-01 0.208E-01 RMM: 4 -0.336317546544E+03 0.39667E-03 -0.83558E-04 4792 0.620E-02 0.721E-02 RMM: 5 -0.336317521556E+03 0.24987E-04 -0.10645E-04 3990 0.264E-02 0.753E-02 RMM: 6 -0.336317491381E+03 0.30175E-04 -0.28966E-05 2594 0.163E-02 0.507E-02 RMM: 7 -0.336317521134E+03 -0.29753E-04 -0.59275E-05 3400 0.210E-02 0.942E-02 RMM: 8 -0.336317458120E+03 0.63014E-04 -0.44699E-05 2990 0.183E-02 0.270E-02 RMM: 9 -0.336317457415E+03 0.70431E-06 -0.14305E-05 2479 0.109E-02 3606 T= 6218. E= 0.67511450E+03 F= 0.61995153E+03 E0= 0.64830999E+03 EK= 0.50634E+02 SP= 0.45E+01 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336422352489E+03 -0.10489E+00 -0.11521E-01 7472 0.237E+01 0.269E-01 RMM: 2 -0.336441561585E+03 -0.19209E-01 -0.10711E-01 4827 0.799E-01 0.125E+00 RMM: 3 -0.336430857075E+03 0.10705E-01 -0.13133E-02 5551 0.244E-01 0.215E-01 RMM: 4 -0.336430650663E+03 0.20641E-03 -0.13462E-03 4798 0.830E-02 0.183E-01 RMM: 5 -0.336430507634E+03 0.14303E-03 -0.23799E-04 3889 0.394E-02 0.122E-01 RMM: 6 -0.336430407964E+03 0.99671E-04 -0.62693E-05 3402 0.233E-02 0.259E-02 RMM: 7 -0.336430415373E+03 -0.74097E-05 -0.20356E-05 2522 0.138E-02 3607 T= 6238. E= 0.67511231E+03 F= 0.61983857E+03 E0= 0.64820389E+03 EK= 0.50801E+02 SP= 0.45E+01 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336370368270E+03 0.60040E-01 -0.11101E-01 7344 0.238E+01 0.196E-01 RMM: 2 -0.336384295212E+03 -0.13927E-01 -0.87646E-02 5006 0.715E-01 0.984E-01 RMM: 3 -0.336377741537E+03 0.65537E-02 -0.99169E-03 5663 0.204E-01 0.187E-01 RMM: 4 -0.336377425733E+03 0.31580E-03 -0.68326E-04 4695 0.577E-02 0.771E-02 RMM: 5 -0.336377393787E+03 0.31946E-04 -0.92200E-05 3739 0.252E-02 0.674E-02 RMM: 6 -0.336377370559E+03 0.23228E-04 -0.22740E-05 2555 0.144E-02 0.433E-02 RMM: 7 -0.336377374752E+03 -0.41936E-05 -0.27797E-05 2584 0.159E-02 3608 T= 6240. E= 0.67511161E+03 F= 0.61989161E+03 E0= 0.64826317E+03 EK= 0.50813E+02 SP= 0.44E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336128622797E+03 0.24875E+00 -0.11133E-01 7352 0.238E+01 0.185E-01 RMM: 2 -0.336141992548E+03 -0.13370E-01 -0.89814E-02 4873 0.719E-01 0.907E-01 RMM: 3 -0.336136233342E+03 0.57592E-02 -0.10282E-02 5717 0.202E-01 0.160E-01 RMM: 4 -0.336136002585E+03 0.23076E-03 -0.66657E-04 4664 0.595E-02 0.103E-01 RMM: 5 -0.336135952889E+03 0.49696E-04 -0.99742E-05 3633 0.272E-02 0.734E-02 RMM: 6 -0.336135921410E+03 0.31479E-04 -0.26138E-05 2585 0.158E-02 0.324E-02 RMM: 7 -0.336135923953E+03 -0.25431E-05 -0.15922E-05 2492 0.128E-02 3609 T= 6219. E= 0.67511200E+03 F= 0.62013307E+03 E0= 0.64850904E+03 EK= 0.50648E+02 SP= 0.43E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335692491723E+03 0.44343E+00 -0.11475E-01 7520 0.237E+01 0.184E-01 RMM: 2 -0.335705996142E+03 -0.13504E-01 -0.97394E-02 4913 0.742E-01 0.857E-01 RMM: 3 -0.335700827223E+03 0.51689E-02 -0.11144E-02 5828 0.204E-01 0.150E-01 RMM: 4 -0.335700575283E+03 0.25194E-03 -0.64357E-04 4670 0.583E-02 0.106E-01 RMM: 5 -0.335700511596E+03 0.63687E-04 -0.99212E-05 3664 0.275E-02 0.696E-02 RMM: 6 -0.335700484686E+03 0.26910E-04 -0.25722E-05 2578 0.154E-02 0.372E-02 RMM: 7 -0.335700485060E+03 -0.37416E-06 -0.17473E-05 2495 0.131E-02 3610 T= 6177. E= 0.67511386E+03 F= 0.62056850E+03 E0= 0.64894695E+03 EK= 0.50300E+02 SP= 0.42E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335075139432E+03 0.62535E+00 -0.11660E-01 7624 0.236E+01 0.163E-01 RMM: 2 -0.335087717951E+03 -0.12579E-01 -0.10046E-01 4843 0.752E-01 0.726E-01 RMM: 3 -0.335083941492E+03 0.37765E-02 -0.11631E-02 6007 0.200E-01 0.146E-01 RMM: 4 -0.335083651972E+03 0.28952E-03 -0.56252E-04 4642 0.567E-02 0.921E-02 RMM: 5 -0.335083604834E+03 0.47138E-04 -0.79731E-05 3501 0.261E-02 0.608E-02 RMM: 6 -0.335083588609E+03 0.16225E-04 -0.22612E-05 2540 0.144E-02 3611 T= 6113. E= 0.67511704E+03 F= 0.62118540E+03 E0= 0.64956433E+03 EK= 0.49782E+02 SP= 0.41E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334305405504E+03 0.77820E+00 -0.10749E-01 7640 0.234E+01 0.181E-01 RMM: 2 -0.334319601451E+03 -0.14196E-01 -0.10257E-01 4898 0.742E-01 0.847E-01 RMM: 3 -0.334314334765E+03 0.52667E-02 -0.11748E-02 5735 0.212E-01 0.166E-01 RMM: 4 -0.334314043006E+03 0.29176E-03 -0.66708E-04 4831 0.561E-02 0.829E-02 RMM: 5 -0.334314000834E+03 0.42172E-04 -0.76366E-05 3595 0.243E-02 0.660E-02 RMM: 6 -0.334313985266E+03 0.15568E-04 -0.22443E-05 2527 0.146E-02 3612 T= 6033. E= 0.67512097E+03 F= 0.62195500E+03 E0= 0.65033314E+03 EK= 0.49126E+02 SP= 0.40E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333424639709E+03 0.88936E+00 -0.10206E-01 7632 0.232E+01 0.294E-01 RMM: 2 -0.333449763070E+03 -0.25123E-01 -0.98301E-02 4830 0.762E-01 0.157E+00 RMM: 3 -0.333432554529E+03 0.17209E-01 -0.13882E-02 5393 0.274E-01 0.291E-01 RMM: 4 -0.333431903495E+03 0.65103E-03 -0.14573E-03 4760 0.792E-02 0.791E-02 RMM: 5 -0.333431882255E+03 0.21240E-04 -0.16309E-04 4151 0.297E-02 0.757E-02 RMM: 6 -0.333431851759E+03 0.30496E-04 -0.24570E-05 2574 0.147E-02 0.493E-02 RMM: 7 -0.333431866279E+03 -0.14520E-04 -0.29371E-05 2682 0.170E-02 3613 T= 5940. E= 0.67512507E+03 F= 0.62283712E+03 E0= 0.65121428E+03 EK= 0.48372E+02 SP= 0.39E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332478938632E+03 0.95291E+00 -0.10012E-01 7680 0.230E+01 0.267E-01 RMM: 2 -0.332500745317E+03 -0.21807E-01 -0.92635E-02 4818 0.717E-01 0.143E+00 RMM: 3 -0.332486310648E+03 0.14435E-01 -0.12285E-02 5406 0.256E-01 0.255E-01 RMM: 4 -0.332485929514E+03 0.38113E-03 -0.14017E-03 4768 0.805E-02 0.136E-01 RMM: 5 -0.332485948410E+03 -0.18896E-04 -0.23138E-04 3892 0.391E-02 0.146E-01 RMM: 6 -0.332485802835E+03 0.14557E-03 -0.78869E-05 3516 0.263E-02 0.326E-02 RMM: 7 -0.332485804612E+03 -0.17774E-05 -0.18517E-05 2529 0.134E-02 3614 T= 5842. E= 0.67512963E+03 F= 0.62378318E+03 E0= 0.65215982E+03 EK= 0.47572E+02 SP= 0.37E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331518773642E+03 0.96703E+00 -0.10078E-01 7824 0.228E+01 0.201E-01 RMM: 2 -0.331535157962E+03 -0.16384E-01 -0.10050E-01 4861 0.736E-01 0.104E+00 RMM: 3 -0.331527304426E+03 0.78535E-02 -0.11705E-02 5574 0.228E-01 0.203E-01 RMM: 4 -0.331526959303E+03 0.34512E-03 -0.83839E-04 4835 0.610E-02 0.799E-02 RMM: 5 -0.331526914672E+03 0.44631E-04 -0.10029E-04 3767 0.270E-02 0.675E-02 RMM: 6 -0.331526890261E+03 0.24410E-04 -0.24087E-05 2562 0.146E-02 0.462E-02 RMM: 7 -0.331526890132E+03 0.12926E-06 -0.21992E-05 2564 0.142E-02 3615 T= 5744. E= 0.67513385E+03 F= 0.62474210E+03 E0= 0.65311797E+03 EK= 0.46778E+02 SP= 0.35E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330595071378E+03 0.93182E+00 -0.99928E-02 7904 0.226E+01 0.181E-01 RMM: 2 -0.330609019987E+03 -0.13949E-01 -0.93508E-02 4817 0.719E-01 0.919E-01 RMM: 3 -0.330603059177E+03 0.59608E-02 -0.11018E-02 5757 0.212E-01 0.159E-01 RMM: 4 -0.330602789647E+03 0.26953E-03 -0.65501E-04 4766 0.562E-02 0.801E-02 RMM: 5 -0.330602761974E+03 0.27673E-04 -0.85198E-05 3608 0.259E-02 0.647E-02 RMM: 6 -0.330602740575E+03 0.21399E-04 -0.22264E-05 2553 0.144E-02 0.383E-02 RMM: 7 -0.330602744270E+03 -0.36951E-05 -0.14901E-05 2498 0.121E-02 3616 T= 5654. E= 0.67513731E+03 F= 0.62566625E+03 E0= 0.65404227E+03 EK= 0.46042E+02 SP= 0.33E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329744408243E+03 0.85833E+00 -0.10246E-01 7688 0.224E+01 0.167E-01 RMM: 2 -0.329757673611E+03 -0.13265E-01 -0.11153E-01 4817 0.774E-01 0.697E-01 RMM: 3 -0.329754029396E+03 0.36442E-02 -0.12746E-02 6005 0.213E-01 0.122E-01 RMM: 4 -0.329753783758E+03 0.24564E-03 -0.60279E-04 4769 0.564E-02 0.120E-01 RMM: 5 -0.329753700686E+03 0.83072E-04 -0.96089E-05 3638 0.292E-02 0.623E-02 RMM: 6 -0.329753678740E+03 0.21946E-04 -0.25814E-05 2577 0.151E-02 0.387E-02 RMM: 7 -0.329753674474E+03 0.42661E-05 -0.23839E-05 2523 0.154E-02 3617 T= 5576. E= 0.67514006E+03 F= 0.62651531E+03 E0= 0.65489163E+03 EK= 0.45405E+02 SP= 0.31E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329001996369E+03 0.75168E+00 -0.98558E-02 7816 0.223E+01 0.161E-01 RMM: 2 -0.329014668687E+03 -0.12672E-01 -0.10398E-01 4890 0.751E-01 0.713E-01 RMM: 3 -0.329011081789E+03 0.35869E-02 -0.12019E-02 6035 0.202E-01 0.138E-01 RMM: 4 -0.329010773579E+03 0.30821E-03 -0.54178E-04 4748 0.542E-02 0.909E-02 RMM: 5 -0.329010728603E+03 0.44976E-04 -0.76785E-05 3510 0.255E-02 0.627E-02 RMM: 6 -0.329010710805E+03 0.17798E-04 -0.22497E-05 2556 0.143E-02 3618 T= 5514. E= 0.67514218E+03 F= 0.62725828E+03 E0= 0.65563573E+03 EK= 0.44901E+02 SP= 0.28E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328386919534E+03 0.62381E+00 -0.99548E-02 7848 0.222E+01 0.218E-01 RMM: 2 -0.328407562091E+03 -0.20643E-01 -0.10927E-01 4968 0.765E-01 0.126E+00 RMM: 3 -0.328396193916E+03 0.11368E-01 -0.12529E-02 5591 0.230E-01 0.212E-01 RMM: 4 -0.328395785661E+03 0.40826E-03 -0.92999E-04 4797 0.638E-02 0.811E-02 RMM: 5 -0.328395751807E+03 0.33854E-04 -0.11552E-04 4019 0.267E-02 0.689E-02 RMM: 6 -0.328395730918E+03 0.20889E-04 -0.22622E-05 2557 0.138E-02 0.536E-02 RMM: 7 -0.328395739584E+03 -0.86665E-05 -0.31360E-05 2698 0.171E-02 3619 T= 5471. E= 0.67514334E+03 F= 0.62787325E+03 E0= 0.65625259E+03 EK= 0.44554E+02 SP= 0.25E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327915025367E+03 0.48071E+00 -0.96726E-02 7816 0.222E+01 0.261E-01 RMM: 2 -0.327935584130E+03 -0.20559E-01 -0.10339E-01 4921 0.775E-01 0.133E+00 RMM: 3 -0.327923428383E+03 0.12156E-01 -0.12896E-02 5531 0.245E-01 0.238E-01 RMM: 4 -0.327923010865E+03 0.41752E-03 -0.12641E-03 4764 0.775E-02 0.114E-01 RMM: 5 -0.327923013490E+03 -0.26253E-05 -0.19382E-04 3888 0.334E-02 3620 T= 5450. E= 0.67514468E+03 F= 0.62834598E+03 E0= 0.65672837E+03 EK= 0.44381E+02 SP= 0.21E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327594455074E+03 0.32856E+00 -0.96708E-02 7880 0.222E+01 0.211E-01 RMM: 2 -0.327613708043E+03 -0.19253E-01 -0.11222E-01 5039 0.780E-01 0.117E+00 RMM: 3 -0.327604048751E+03 0.96593E-02 -0.12656E-02 5636 0.228E-01 0.186E-01 RMM: 4 -0.327603720893E+03 0.32786E-03 -0.86499E-04 5004 0.594E-02 0.942E-02 RMM: 5 -0.327603650493E+03 0.70400E-04 -0.10607E-04 3852 0.272E-02 0.693E-02 RMM: 6 -0.327603629456E+03 0.21037E-04 -0.28571E-05 2627 0.158E-02 0.579E-02 RMM: 7 -0.327603625623E+03 0.38330E-05 -0.79462E-05 3815 0.203E-02 3621 T= 5452. E= 0.67514660E+03 F= 0.62866536E+03 E0= 0.65705080E+03 EK= 0.44395E+02 SP= 0.17E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327444704710E+03 0.15892E+00 -0.99268E-02 7848 0.222E+01 0.207E-01 RMM: 2 -0.327459615063E+03 -0.14910E-01 -0.10541E-01 4896 0.761E-01 0.925E-01 RMM: 3 -0.327453595336E+03 0.60197E-02 -0.12220E-02 5810 0.213E-01 0.171E-01 RMM: 4 -0.327453310249E+03 0.28509E-03 -0.79968E-04 4718 0.646E-02 0.125E-01 RMM: 5 -0.327453225129E+03 0.85120E-04 -0.12555E-04 3770 0.284E-02 0.728E-02 RMM: 6 -0.327453192714E+03 0.32415E-04 -0.26736E-05 2681 0.161E-02 0.251E-02 RMM: 7 -0.327453193873E+03 -0.11591E-05 -0.11186E-05 2480 0.105E-02 3622 T= 5478. E= 0.67514776E+03 F= 0.62881580E+03 E0= 0.65720594E+03 EK= 0.44612E+02 SP= 0.13E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327479472492E+03 -0.26280E-01 -0.96438E-02 7728 0.222E+01 0.173E-01 RMM: 2 -0.327492375100E+03 -0.12903E-01 -0.10517E-01 4972 0.768E-01 0.750E-01 RMM: 3 -0.327488637750E+03 0.37374E-02 -0.12084E-02 6022 0.199E-01 0.136E-01 RMM: 4 -0.327488348918E+03 0.28883E-03 -0.55691E-04 4682 0.563E-02 0.124E-01 RMM: 5 -0.327488241229E+03 0.10769E-03 -0.96405E-05 3655 0.274E-02 0.623E-02 RMM: 6 -0.327488222749E+03 0.18481E-04 -0.23903E-05 2554 0.144E-02 3623 T= 5532. E= 0.67514880E+03 F= 0.62878077E+03 E0= 0.65717576E+03 EK= 0.45050E+02 SP= 0.83E+00 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327713509282E+03 -0.22527E+00 -0.94406E-02 7824 0.223E+01 0.175E-01 RMM: 2 -0.327727421084E+03 -0.13912E-01 -0.91004E-02 4956 0.714E-01 0.931E-01 RMM: 3 -0.327721368768E+03 0.60523E-02 -0.10252E-02 5720 0.202E-01 0.166E-01 RMM: 4 -0.327721091143E+03 0.27762E-03 -0.60942E-04 4730 0.535E-02 0.794E-02 RMM: 5 -0.327721050090E+03 0.41053E-04 -0.76536E-05 3613 0.236E-02 0.634E-02 RMM: 6 -0.327721035809E+03 0.14281E-04 -0.21731E-05 2533 0.140E-02 3624 T= 5615. E= 0.67514903E+03 F= 0.62854795E+03 E0= 0.65694803E+03 EK= 0.45722E+02 SP= 0.32E+00 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328144733618E+03 -0.42368E+00 -0.92830E-02 7592 0.225E+01 0.315E-01 RMM: 2 -0.328175173715E+03 -0.30440E-01 -0.97399E-02 4908 0.782E-01 0.181E+00 RMM: 3 -0.328152378431E+03 0.22795E-01 -0.14720E-02 5396 0.289E-01 0.299E-01 RMM: 4 -0.328151742897E+03 0.63553E-03 -0.16372E-03 4809 0.831E-02 0.952E-02 RMM: 5 -0.328151708213E+03 0.34685E-04 -0.19304E-04 3924 0.328E-02 0.929E-02 RMM: 6 -0.328151654854E+03 0.53359E-04 -0.37865E-05 2946 0.188E-02 0.461E-02 RMM: 7 -0.328151656454E+03 -0.16002E-05 -0.20393E-05 2518 0.139E-02 3625 T= 5726. E= 0.67514772E+03 F= 0.62811733E+03 E0= 0.65652193E+03 EK= 0.46627E+02 SP= -.23E+00 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328753458720E+03 -0.60180E+00 -0.95970E-02 7720 0.227E+01 0.287E-01 RMM: 2 -0.328780211712E+03 -0.26753E-01 -0.10339E-01 4786 0.796E-01 0.162E+00 RMM: 3 -0.328761910321E+03 0.18301E-01 -0.14670E-02 5391 0.284E-01 0.306E-01 RMM: 4 -0.328761272168E+03 0.63815E-03 -0.16448E-03 4950 0.854E-02 0.101E-01 RMM: 5 -0.328761304558E+03 -0.32390E-04 -0.23449E-04 3904 0.365E-02 0.133E-01 RMM: 6 -0.328761186178E+03 0.11838E-03 -0.66069E-05 3423 0.238E-02 0.315E-02 RMM: 7 -0.328761185098E+03 0.10797E-05 -0.17020E-05 2520 0.124E-02 3626 T= 5863. E= 0.67514501E+03 F= 0.62750780E+03 E0= 0.65591614E+03 EK= 0.47747E+02 SP= -.80E+00 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329501299326E+03 -0.74011E+00 -0.96639E-02 7784 0.230E+01 0.199E-01 RMM: 2 -0.329517488332E+03 -0.16189E-01 -0.90376E-02 4819 0.732E-01 0.110E+00 RMM: 3 -0.329508988301E+03 0.85000E-02 -0.10892E-02 5501 0.226E-01 0.176E-01 RMM: 4 -0.329508773292E+03 0.21501E-03 -0.81406E-04 4726 0.606E-02 0.977E-02 RMM: 5 -0.329508709138E+03 0.64154E-04 -0.11493E-04 3818 0.297E-02 0.655E-02 RMM: 6 -0.329508682046E+03 0.27092E-04 -0.28007E-05 2621 0.156E-02 0.397E-02 RMM: 7 -0.329508679104E+03 0.29415E-05 -0.19939E-05 2507 0.140E-02 3627 T= 6022. E= 0.67514046E+03 F= 0.62676031E+03 E0= 0.65517179E+03 EK= 0.49038E+02 SP= -.14E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330326122251E+03 -0.81744E+00 -0.99127E-02 7976 0.234E+01 0.152E-01 RMM: 2 -0.330337501978E+03 -0.11380E-01 -0.93442E-02 4761 0.754E-01 0.678E-01 RMM: 3 -0.330334418797E+03 0.30832E-02 -0.11605E-02 5927 0.206E-01 0.140E-01 RMM: 4 -0.330334153563E+03 0.26523E-03 -0.53382E-04 4687 0.548E-02 0.860E-02 RMM: 5 -0.330334105962E+03 0.47601E-04 -0.82540E-05 3554 0.274E-02 0.598E-02 RMM: 6 -0.330334088016E+03 0.17946E-04 -0.22229E-05 2531 0.138E-02 3628 T= 6194. E= 0.67513539E+03 F= 0.62593490E+03 E0= 0.65434935E+03 EK= 0.50439E+02 SP= -.20E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331160760099E+03 -0.82665E+00 -0.11102E-01 7656 0.238E+01 0.161E-01 RMM: 2 -0.331175246951E+03 -0.14487E-01 -0.12059E-01 4688 0.850E-01 0.721E-01 RMM: 3 -0.331171594430E+03 0.36525E-02 -0.14803E-02 5915 0.230E-01 0.137E-01 RMM: 4 -0.331171295454E+03 0.29898E-03 -0.65927E-04 4940 0.584E-02 0.922E-02 RMM: 5 -0.331171231902E+03 0.63552E-04 -0.87705E-05 3689 0.287E-02 0.582E-02 RMM: 6 -0.331171218068E+03 0.13833E-04 -0.23247E-05 2522 0.143E-02 3629 T= 6371. E= 0.67513090E+03 F= 0.62509777E+03 E0= 0.65351581E+03 EK= 0.51880E+02 SP= -.26E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331949652159E+03 -0.77842E+00 -0.11397E-01 7600 0.242E+01 0.240E-01 RMM: 2 -0.331970202724E+03 -0.20551E-01 -0.11541E-01 4694 0.849E-01 0.124E+00 RMM: 3 -0.331959459191E+03 0.10744E-01 -0.14868E-02 5499 0.269E-01 0.237E-01 RMM: 4 -0.331959016349E+03 0.44284E-03 -0.12064E-03 4820 0.732E-02 0.750E-02 RMM: 5 -0.331958990947E+03 0.25402E-04 -0.14951E-04 4246 0.296E-02 0.757E-02 RMM: 6 -0.331958958316E+03 0.32631E-04 -0.26202E-05 2559 0.152E-02 0.427E-02 RMM: 7 -0.331958961102E+03 -0.27861E-05 -0.26325E-05 2580 0.159E-02 3630 T= 6544. E= 0.67512742E+03 F= 0.62431003E+03 E0= 0.65273413E+03 EK= 0.53294E+02 SP= -.33E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332640219123E+03 -0.68126E+00 -0.12060E-01 7648 0.245E+01 0.227E-01 RMM: 2 -0.332661245715E+03 -0.21027E-01 -0.14057E-01 4669 0.917E-01 0.111E+00 RMM: 3 -0.332652548648E+03 0.86971E-02 -0.17569E-02 5733 0.263E-01 0.217E-01 RMM: 4 -0.332652122082E+03 0.42657E-03 -0.12443E-03 4924 0.800E-02 0.131E-01 RMM: 5 -0.332652065571E+03 0.56511E-04 -0.19208E-04 3894 0.351E-02 0.103E-01 RMM: 6 -0.332651993452E+03 0.72119E-04 -0.48487E-05 3160 0.204E-02 0.305E-02 RMM: 7 -0.332651996569E+03 -0.31172E-05 -0.19124E-05 2515 0.135E-02 3631 T= 6709. E= 0.67512562E+03 F= 0.62361699E+03 E0= 0.65204919E+03 EK= 0.54631E+02 SP= -.39E+01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333216230348E+03 -0.56424E+00 -0.12426E-01 7632 0.248E+01 0.192E-01 RMM: 2 -0.333234631660E+03 -0.18401E-01 -0.13577E-01 4700 0.894E-01 0.952E-01 RMM: 3 -0.333228246097E+03 0.63856E-02 -0.16609E-02 5862 0.246E-01 0.170E-01 RMM: 4 -0.333227860738E+03 0.38536E-03 -0.81297E-04 4808 0.656E-02 0.936E-02 RMM: 5 -0.333227807234E+03 0.53504E-04 -0.12207E-04 3924 0.300E-02 0.712E-02 RMM: 6 -0.333227778350E+03 0.28884E-04 -0.29689E-05 2574 0.162E-02 0.388E-02 RMM: 7 -0.333227779449E+03 -0.10990E-05 -0.21381E-05 2528 0.140E-02 3632 T= 6859. E= 0.67512586E+03 F= 0.62304121E+03 E0= 0.65148395E+03 EK= 0.55859E+02 SP= -.45E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333676297908E+03 -0.44852E+00 -0.12903E-01 7560 0.250E+01 0.167E-01 RMM: 2 -0.333692246512E+03 -0.15949E-01 -0.13966E-01 4721 0.903E-01 0.687E-01 RMM: 3 -0.333688724674E+03 0.35218E-02 -0.16578E-02 6096 0.232E-01 0.143E-01 RMM: 4 -0.333688370987E+03 0.35369E-03 -0.70445E-04 4793 0.649E-02 0.102E-01 RMM: 5 -0.333688304914E+03 0.66073E-04 -0.10136E-04 3698 0.293E-02 0.633E-02 RMM: 6 -0.333688284471E+03 0.20443E-04 -0.26043E-05 2558 0.154E-02 0.354E-02 RMM: 7 -0.333688283678E+03 0.79333E-06 -0.17473E-05 2499 0.129E-02 3633 T= 6996. E= 0.67512719E+03 F= 0.62258071E+03 E0= 0.65103749E+03 EK= 0.56972E+02 SP= -.52E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334042859035E+03 -0.35457E+00 -0.13563E-01 7672 0.252E+01 0.166E-01 RMM: 2 -0.334058443796E+03 -0.15585E-01 -0.14169E-01 4804 0.892E-01 0.640E-01 RMM: 3 -0.334055360495E+03 0.30833E-02 -0.16056E-02 6054 0.224E-01 0.134E-01 RMM: 4 -0.334055058258E+03 0.30224E-03 -0.74605E-04 4751 0.673E-02 0.119E-01 RMM: 5 -0.334054963026E+03 0.95232E-04 -0.10524E-04 3678 0.295E-02 0.575E-02 RMM: 6 -0.334054946774E+03 0.16252E-04 -0.23352E-05 2542 0.142E-02 3634 T= 7120. E= 0.67512941E+03 F= 0.62221404E+03 E0= 0.65068680E+03 EK= 0.57983E+02 SP= -.57E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334347099853E+03 -0.29214E+00 -0.13599E-01 7504 0.253E+01 0.195E-01 RMM: 2 -0.334365375623E+03 -0.18276E-01 -0.13688E-01 4814 0.892E-01 0.947E-01 RMM: 3 -0.334359041557E+03 0.63341E-02 -0.16257E-02 5825 0.242E-01 0.163E-01 RMM: 4 -0.334358674223E+03 0.36733E-03 -0.81910E-04 5055 0.616E-02 0.877E-02 RMM: 5 -0.334358626600E+03 0.47623E-04 -0.10557E-04 3836 0.293E-02 0.678E-02 RMM: 6 -0.334358604816E+03 0.21784E-04 -0.25708E-05 2561 0.151E-02 0.503E-02 RMM: 7 -0.334358608423E+03 -0.36066E-05 -0.31467E-05 2588 0.168E-02 3635 T= 7235. E= 0.67513140E+03 F= 0.62191038E+03 E0= 0.65040165E+03 EK= 0.58916E+02 SP= -.63E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334615845228E+03 -0.25724E+00 -0.13604E-01 7552 0.255E+01 0.216E-01 RMM: 2 -0.334631921694E+03 -0.16076E-01 -0.11644E-01 4822 0.848E-01 0.950E-01 RMM: 3 -0.334625805390E+03 0.61163E-02 -0.14152E-02 5707 0.236E-01 0.213E-01 RMM: 4 -0.334625420095E+03 0.38530E-03 -0.95021E-04 4732 0.705E-02 0.108E-01 RMM: 5 -0.334625366452E+03 0.53643E-04 -0.13950E-04 3842 0.303E-02 0.797E-02 RMM: 6 -0.334625327048E+03 0.39404E-04 -0.30758E-05 2782 0.169E-02 0.281E-02 RMM: 7 -0.334625329306E+03 -0.22586E-05 -0.14716E-05 2491 0.123E-02 3636 T= 7342. E= 0.67513216E+03 F= 0.62164366E+03 E0= 0.65015459E+03 EK= 0.59789E+02 SP= -.69E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334852236083E+03 -0.22691E+00 -0.13594E-01 7528 0.257E+01 0.184E-01 RMM: 2 -0.334867872907E+03 -0.15637E-01 -0.12049E-01 4831 0.855E-01 0.874E-01 RMM: 3 -0.334862800942E+03 0.50720E-02 -0.14438E-02 5872 0.227E-01 0.165E-01 RMM: 4 -0.334862443427E+03 0.35752E-03 -0.69460E-04 4821 0.613E-02 0.937E-02 RMM: 5 -0.334862390867E+03 0.52560E-04 -0.10838E-04 3756 0.296E-02 0.706E-02 RMM: 6 -0.334862363733E+03 0.27134E-04 -0.28551E-05 2599 0.158E-02 0.456E-02 RMM: 7 -0.334862359197E+03 0.45352E-05 -0.21786E-05 2515 0.141E-02 3637 T= 7442. E= 0.67513114E+03 F= 0.62140663E+03 E0= 0.64993758E+03 EK= 0.60603E+02 SP= -.74E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335041870454E+03 -0.17951E+00 -0.13292E-01 7728 0.259E+01 0.158E-01 RMM: 2 -0.335054238750E+03 -0.12368E-01 -0.10979E-01 4811 0.815E-01 0.636E-01 RMM: 3 -0.335051494688E+03 0.27441E-02 -0.13151E-02 5943 0.214E-01 0.101E-01 RMM: 4 -0.335051296972E+03 0.19772E-03 -0.56153E-04 4915 0.541E-02 0.106E-01 RMM: 5 -0.335051222202E+03 0.74770E-04 -0.79764E-05 3593 0.275E-02 0.529E-02 RMM: 6 -0.335051211690E+03 0.10512E-04 -0.22428E-05 2537 0.140E-02 3638 T= 7532. E= 0.67512872E+03 F= 0.62121778E+03 E0= 0.64976797E+03 EK= 0.61333E+02 SP= -.78E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335140711061E+03 -0.89489E-01 -0.14220E-01 7480 0.260E+01 0.166E-01 RMM: 2 -0.335154712441E+03 -0.14001E-01 -0.11909E-01 4803 0.846E-01 0.716E-01 RMM: 3 -0.335151310259E+03 0.34022E-02 -0.14337E-02 5963 0.220E-01 0.134E-01 RMM: 4 -0.335151026380E+03 0.28388E-03 -0.62414E-04 4771 0.600E-02 0.111E-01 RMM: 5 -0.335150943804E+03 0.82575E-04 -0.10042E-04 3689 0.303E-02 0.564E-02 RMM: 6 -0.335150931620E+03 0.12184E-04 -0.24705E-05 2544 0.142E-02 3639 T= 7605. E= 0.67512591E+03 F= 0.62111806E+03 E0= 0.64968588E+03 EK= 0.61933E+02 SP= -.83E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335098218567E+03 0.52725E-01 -0.14652E-01 7512 0.262E+01 0.213E-01 RMM: 2 -0.335117038519E+03 -0.18820E-01 -0.11594E-01 4827 0.854E-01 0.113E+00 RMM: 3 -0.335108335143E+03 0.87034E-02 -0.14193E-02 5614 0.242E-01 0.202E-01 RMM: 4 -0.335107965174E+03 0.36997E-03 -0.92358E-04 4757 0.676E-02 0.943E-02 RMM: 5 -0.335107922809E+03 0.42365E-04 -0.14068E-04 3873 0.323E-02 0.762E-02 RMM: 6 -0.335107891324E+03 0.31485E-04 -0.32879E-05 2765 0.167E-02 0.499E-02 RMM: 7 -0.335107893865E+03 -0.25409E-05 -0.26938E-05 2543 0.164E-02 3640 T= 7656. E= 0.67512347E+03 F= 0.62116110E+03 E0= 0.64974468E+03 EK= 0.62345E+02 SP= -.87E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334862328624E+03 0.24556E+00 -0.14792E-01 7512 0.263E+01 0.243E-01 RMM: 2 -0.334881555998E+03 -0.19227E-01 -0.13539E-01 4749 0.921E-01 0.108E+00 RMM: 3 -0.334873842485E+03 0.77135E-02 -0.16723E-02 5641 0.261E-01 0.212E-01 RMM: 4 -0.334873451308E+03 0.39118E-03 -0.11801E-03 4866 0.757E-02 0.112E-01 RMM: 5 -0.334873392098E+03 0.59210E-04 -0.17171E-04 4054 0.315E-02 0.870E-02 RMM: 6 -0.334873347358E+03 0.44740E-04 -0.35694E-05 2861 0.180E-02 0.319E-02 RMM: 7 -0.334873349674E+03 -0.23160E-05 -0.17437E-05 2504 0.131E-02 3641 T= 7677. E= 0.67512253E+03 F= 0.62139564E+03 E0= 0.64999295E+03 EK= 0.62518E+02 SP= -.90E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334401937560E+03 0.47141E+00 -0.16179E-01 7608 0.263E+01 0.185E-01 RMM: 2 -0.334422818547E+03 -0.20881E-01 -0.16769E-01 4675 0.101E+00 0.899E-01 RMM: 3 -0.334417090887E+03 0.57277E-02 -0.20312E-02 6083 0.253E-01 0.158E-01 RMM: 4 -0.334416627010E+03 0.46388E-03 -0.90044E-04 4833 0.746E-02 0.107E-01 RMM: 5 -0.334416555016E+03 0.71993E-04 -0.13418E-04 3877 0.327E-02 0.637E-02 RMM: 6 -0.334416534587E+03 0.20429E-04 -0.31568E-05 2694 0.165E-02 0.427E-02 RMM: 7 -0.334416533593E+03 0.99498E-06 -0.24135E-05 2514 0.154E-02 3642 T= 7665. E= 0.67512302E+03 F= 0.62185246E+03 E0= 0.65046114E+03 EK= 0.62417E+02 SP= -.93E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333715886055E+03 0.70065E+00 -0.15688E-01 7640 0.262E+01 0.172E-01 RMM: 2 -0.333732800605E+03 -0.16915E-01 -0.15185E-01 4685 0.956E-01 0.687E-01 RMM: 3 -0.333729576322E+03 0.32243E-02 -0.18418E-02 6103 0.240E-01 0.110E-01 RMM: 4 -0.333729266059E+03 0.31026E-03 -0.79072E-04 4924 0.700E-02 0.129E-01 RMM: 5 -0.333729169682E+03 0.96377E-04 -0.12141E-04 3799 0.337E-02 0.601E-02 RMM: 6 -0.333729151152E+03 0.18530E-04 -0.29330E-05 2562 0.159E-02 3643 T= 7618. E= 0.67512578E+03 F= 0.62253984E+03 E0= 0.65115816E+03 EK= 0.62033E+02 SP= -.96E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332819470474E+03 0.90970E+00 -0.14944E-01 7592 0.260E+01 0.197E-01 RMM: 2 -0.332840145541E+03 -0.20675E-01 -0.14244E-01 4718 0.917E-01 0.107E+00 RMM: 3 -0.332832218931E+03 0.79266E-02 -0.17468E-02 5783 0.252E-01 0.169E-01 RMM: 4 -0.332831847475E+03 0.37146E-03 -0.88693E-04 4819 0.674E-02 0.984E-02 RMM: 5 -0.332831789997E+03 0.57478E-04 -0.13037E-04 4041 0.312E-02 0.650E-02 RMM: 6 -0.332831768329E+03 0.21668E-04 -0.27431E-05 2559 0.152E-02 0.433E-02 RMM: 7 -0.332831771035E+03 -0.27054E-05 -0.30119E-05 2567 0.171E-02 3644 T= 7539. E= 0.67513094E+03 F= 0.62343722E+03 E0= 0.65206398E+03 EK= 0.61390E+02 SP= -.98E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331767353070E+03 0.10644E+01 -0.13823E-01 7480 0.258E+01 0.200E-01 RMM: 2 -0.331784137858E+03 -0.16785E-01 -0.12357E-01 4745 0.866E-01 0.939E-01 RMM: 3 -0.331778184793E+03 0.59531E-02 -0.15140E-02 5764 0.238E-01 0.176E-01 RMM: 4 -0.331777881276E+03 0.30352E-03 -0.91017E-04 4767 0.707E-02 0.120E-01 RMM: 5 -0.331777821850E+03 0.59427E-04 -0.13659E-04 3762 0.299E-02 0.898E-02 RMM: 6 -0.331777770751E+03 0.51099E-04 -0.35134E-05 2899 0.183E-02 0.287E-02 RMM: 7 -0.331777773085E+03 -0.23339E-05 -0.15858E-05 2490 0.126E-02 3645 T= 7435. E= 0.67513720E+03 F= 0.62449122E+03 E0= 0.65312532E+03 EK= 0.60543E+02 SP= -.99E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330629045593E+03 0.11487E+01 -0.13647E-01 7528 0.255E+01 0.168E-01 RMM: 2 -0.330645588207E+03 -0.16543E-01 -0.13896E-01 4710 0.904E-01 0.761E-01 RMM: 3 -0.330641503755E+03 0.40845E-02 -0.16688E-02 6019 0.235E-01 0.145E-01 RMM: 4 -0.330641156239E+03 0.34752E-03 -0.72840E-04 4734 0.674E-02 0.107E-01 RMM: 5 -0.330641083841E+03 0.72397E-04 -0.10536E-04 3700 0.302E-02 0.609E-02 RMM: 6 -0.330641065996E+03 0.17845E-04 -0.26064E-05 2546 0.151E-02 3646 T= 7315. E= 0.67514490E+03 F= 0.62562792E+03 E0= 0.65426891E+03 EK= 0.59570E+02 SP= -.10E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329498807657E+03 0.11423E+01 -0.11979E-01 7528 0.252E+01 0.194E-01 RMM: 2 -0.329515419550E+03 -0.16612E-01 -0.10781E-01 4826 0.794E-01 0.103E+00 RMM: 3 -0.329508096407E+03 0.73231E-02 -0.12689E-02 5574 0.235E-01 0.157E-01 RMM: 4 -0.329507885431E+03 0.21098E-03 -0.76854E-04 4960 0.576E-02 0.823E-02 RMM: 5 -0.329507839269E+03 0.46162E-04 -0.89385E-05 3760 0.271E-02 0.639E-02 RMM: 6 -0.329507822086E+03 0.17183E-04 -0.23647E-05 2545 0.147E-02 3647 T= 7192. E= 0.67515303E+03 F= 0.62676117E+03 E0= 0.65540825E+03 EK= 0.58565E+02 SP= -.10E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328460626578E+03 0.10472E+01 -0.11363E-01 7464 0.249E+01 0.284E-01 RMM: 2 -0.328487054988E+03 -0.26428E-01 -0.10941E-01 4795 0.821E-01 0.159E+00 RMM: 3 -0.328469576392E+03 0.17479E-01 -0.15139E-02 5401 0.288E-01 0.276E-01 RMM: 4 -0.328469019943E+03 0.55645E-03 -0.14383E-03 4836 0.783E-02 0.803E-02 RMM: 5 -0.328469008163E+03 0.11779E-04 -0.16306E-04 4097 0.310E-02 3648 T= 7076. E= 0.67516097E+03 F= 0.62779998E+03 E0= 0.65645250E+03 EK= 0.57622E+02 SP= -.10E+02 SK= 0.97E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327596616407E+03 0.87240E+00 -0.10873E-01 7584 0.246E+01 0.223E-01 RMM: 2 -0.327616443702E+03 -0.19827E-01 -0.97733E-02 5011 0.753E-01 0.128E+00 RMM: 3 -0.327605046474E+03 0.11397E-01 -0.11734E-02 5417 0.241E-01 0.245E-01 RMM: 4 -0.327604624580E+03 0.42189E-03 -0.10190E-03 4715 0.670E-02 0.865E-02 RMM: 5 -0.327604593839E+03 0.30741E-04 -0.12235E-04 3936 0.288E-02 0.803E-02 RMM: 6 -0.327604556806E+03 0.37033E-04 -0.26279E-05 2575 0.149E-02 0.543E-02 RMM: 7 -0.327604569826E+03 -0.13020E-04 -0.43936E-05 3075 0.189E-02 3649 T= 6978. E= 0.67516753E+03 F= 0.62866442E+03 E0= 0.65732106E+03 EK= 0.56827E+02 SP= -.10E+02 SK= 0.49E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326969842996E+03 0.63471E+00 -0.11140E-01 7600 0.244E+01 0.254E-01 RMM: 2 -0.326987098038E+03 -0.17255E-01 -0.11418E-01 4782 0.838E-01 0.109E+00 RMM: 3 -0.326979114422E+03 0.79836E-02 -0.13932E-02 5583 0.250E-01 0.194E-01 RMM: 4 -0.326978965363E+03 0.14906E-03 -0.11236E-03 4787 0.734E-02 0.174E-01 RMM: 5 -0.326978859745E+03 0.10562E-03 -0.20251E-04 3882 0.358E-02 0.125E-01 RMM: 6 -0.326978756607E+03 0.10314E-03 -0.69938E-05 3441 0.244E-02 0.249E-02 RMM: 7 -0.326978762996E+03 -0.63891E-05 -0.15770E-05 2512 0.124E-02 3650 T= 6907. E= 0.67517084E+03 F= 0.62929023E+03 E0= 0.65794864E+03 EK= 0.56248E+02 SP= -.10E+02 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326618227760E+03 0.36053E+00 -0.10885E-01 7784 0.243E+01 0.177E-01 RMM: 2 -0.326632983983E+03 -0.14756E-01 -0.11762E-01 4926 0.824E-01 0.788E-01 RMM: 3 -0.326628659283E+03 0.43247E-02 -0.13421E-02 5855 0.221E-01 0.169E-01 RMM: 4 -0.326628311009E+03 0.34827E-03 -0.64145E-04 4817 0.577E-02 0.937E-02 RMM: 5 -0.326628247936E+03 0.63074E-04 -0.98374E-05 3674 0.280E-02 0.674E-02 RMM: 6 -0.326628221599E+03 0.26337E-04 -0.26875E-05 2572 0.154E-02 0.483E-02 RMM: 7 -0.326628210428E+03 0.11171E-04 -0.33211E-05 2615 0.165E-02 3651 T= 6867. E= 0.67517164E+03 F= 0.62964078E+03 E0= 0.65829824E+03 EK= 0.55924E+02 SP= -.10E+02 SK= 0.61E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326547964006E+03 0.80258E-01 -0.11540E-01 7576 0.243E+01 0.183E-01 RMM: 2 -0.326564101528E+03 -0.16138E-01 -0.12914E-01 4837 0.868E-01 0.835E-01 RMM: 3 -0.326559232350E+03 0.48692E-02 -0.14818E-02 5831 0.232E-01 0.158E-01 RMM: 4 -0.326558899169E+03 0.33318E-03 -0.75733E-04 5056 0.596E-02 0.787E-02 RMM: 5 -0.326558871411E+03 0.27758E-04 -0.96932E-05 3720 0.278E-02 0.716E-02 RMM: 6 -0.326558843773E+03 0.27638E-04 -0.26481E-05 2588 0.161E-02 0.390E-02 RMM: 7 -0.326558848058E+03 -0.42849E-05 -0.20381E-05 2517 0.139E-02 3652 T= 6860. E= 0.67517010E+03 F= 0.62971014E+03 E0= 0.65836350E+03 EK= 0.55864E+02 SP= -.10E+02 SK= 0.24E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.326738010765E+03 -0.17917E+00 -0.10923E-01 7656 0.243E+01 0.209E-01 RMM: 2 -0.326754213768E+03 -0.16203E-01 -0.11657E-01 4882 0.828E-01 0.949E-01 RMM: 3 -0.326748056162E+03 0.61576E-02 -0.13683E-02 5788 0.227E-01 0.184E-01 RMM: 4 -0.326747733169E+03 0.32299E-03 -0.81664E-04 4732 0.657E-02 0.118E-01 RMM: 5 -0.326747660055E+03 0.73114E-04 -0.13112E-04 3765 0.299E-02 0.780E-02 RMM: 6 -0.326747622186E+03 0.37869E-04 -0.32138E-05 2865 0.172E-02 0.332E-02 RMM: 7 -0.326747621763E+03 0.42297E-06 -0.14889E-05 2491 0.121E-02 3653 T= 6882. E= 0.67516742E+03 F= 0.62952137E+03 E0= 0.65816714E+03 EK= 0.56046E+02 SP= -.10E+02 SK= 0.23E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327136597913E+03 -0.38898E+00 -0.11435E-01 7560 0.244E+01 0.183E-01 RMM: 2 -0.327152733474E+03 -0.16136E-01 -0.12622E-01 4922 0.846E-01 0.854E-01 RMM: 3 -0.327147629042E+03 0.51044E-02 -0.14105E-02 5842 0.219E-01 0.168E-01 RMM: 4 -0.327147278840E+03 0.35020E-03 -0.72148E-04 4799 0.619E-02 0.896E-02 RMM: 5 -0.327147231524E+03 0.47317E-04 -0.10334E-04 3853 0.262E-02 0.703E-02 RMM: 6 -0.327147205624E+03 0.25900E-04 -0.25844E-05 2586 0.158E-02 0.398E-02 RMM: 7 -0.327147207863E+03 -0.22396E-05 -0.17503E-05 2507 0.127E-02 3654 T= 6929. E= 0.67516313E+03 F= 0.62912178E+03 E0= 0.65775697E+03 EK= 0.56422E+02 SP= -.10E+02 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327679874040E+03 -0.53267E+00 -0.11422E-01 7768 0.246E+01 0.200E-01 RMM: 2 -0.327695433079E+03 -0.15559E-01 -0.11552E-01 4837 0.829E-01 0.901E-01 RMM: 3 -0.327689897788E+03 0.55353E-02 -0.13808E-02 5780 0.227E-01 0.166E-01 RMM: 4 -0.327689592397E+03 0.30539E-03 -0.76045E-04 4797 0.617E-02 0.102E-01 RMM: 5 -0.327689544541E+03 0.47855E-04 -0.11634E-04 3801 0.289E-02 0.746E-02 RMM: 6 -0.327689511209E+03 0.33333E-04 -0.29001E-05 2705 0.164E-02 0.311E-02 RMM: 7 -0.327689513201E+03 -0.19921E-05 -0.14361E-05 2486 0.119E-02 3655 T= 6990. E= 0.67515779E+03 F= 0.62857948E+03 E0= 0.65720152E+03 EK= 0.56922E+02 SP= -.10E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328286481269E+03 -0.59697E+00 -0.11475E-01 7608 0.248E+01 0.181E-01 RMM: 2 -0.328298483429E+03 -0.12002E-01 -0.90233E-02 4983 0.742E-01 0.807E-01 RMM: 3 -0.328294190625E+03 0.42928E-02 -0.10216E-02 5773 0.197E-01 0.151E-01 RMM: 4 -0.328293989042E+03 0.20158E-03 -0.59153E-04 4670 0.558E-02 0.109E-01 RMM: 5 -0.328293908900E+03 0.80142E-04 -0.95896E-05 3653 0.265E-02 0.668E-02 RMM: 6 -0.328293883747E+03 0.25153E-04 -0.26769E-05 2629 0.160E-02 0.352E-02 RMM: 7 -0.328293882342E+03 0.14056E-05 -0.17156E-05 2495 0.126E-02 3656 T= 7056. E= 0.67515230E+03 F= 0.62797511E+03 E0= 0.65658201E+03 EK= 0.57464E+02 SP= -.10E+02 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328868864715E+03 -0.57498E+00 -0.12173E-01 7528 0.250E+01 0.183E-01 RMM: 2 -0.328882925724E+03 -0.14061E-01 -0.10930E-01 4887 0.796E-01 0.811E-01 RMM: 3 -0.328878352364E+03 0.45734E-02 -0.12707E-02 5784 0.212E-01 0.153E-01 RMM: 4 -0.328878076094E+03 0.27627E-03 -0.66085E-04 4756 0.580E-02 0.966E-02 RMM: 5 -0.328878020589E+03 0.55505E-04 -0.98748E-05 3730 0.273E-02 0.666E-02 RMM: 6 -0.328877996180E+03 0.24410E-04 -0.25831E-05 2565 0.156E-02 0.341E-02 RMM: 7 -0.328877996703E+03 -0.52345E-06 -0.17543E-05 2495 0.128E-02 3657 T= 7118. E= 0.67514706E+03 F= 0.62739099E+03 E0= 0.65598187E+03 EK= 0.57961E+02 SP= -.10E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329357084933E+03 -0.47909E+00 -0.12306E-01 7648 0.253E+01 0.169E-01 RMM: 2 -0.329369493172E+03 -0.12408E-01 -0.10294E-01 4892 0.783E-01 0.705E-01 RMM: 3 -0.329366074817E+03 0.34184E-02 -0.11891E-02 5894 0.202E-01 0.142E-01 RMM: 4 -0.329365849016E+03 0.22580E-03 -0.59166E-04 4645 0.584E-02 0.117E-01 RMM: 5 -0.329365755686E+03 0.93330E-04 -0.96689E-05 3620 0.283E-02 0.626E-02 RMM: 6 -0.329365735419E+03 0.20267E-04 -0.25848E-05 2563 0.155E-02 0.349E-02 RMM: 7 -0.329365734247E+03 0.11721E-05 -0.18019E-05 2497 0.129E-02 3658 T= 7164. E= 0.67514307E+03 F= 0.62690326E+03 E0= 0.65547797E+03 EK= 0.58337E+02 SP= -.10E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329689299264E+03 -0.32356E+00 -0.11987E-01 7648 0.254E+01 0.168E-01 RMM: 2 -0.329700704124E+03 -0.11405E-01 -0.90791E-02 4877 0.735E-01 0.721E-01 RMM: 3 -0.329697182743E+03 0.35214E-02 -0.10827E-02 5820 0.201E-01 0.151E-01 RMM: 4 -0.329696948063E+03 0.23468E-03 -0.54965E-04 4664 0.546E-02 0.102E-01 RMM: 5 -0.329696881626E+03 0.66437E-04 -0.88158E-05 3560 0.272E-02 0.654E-02 RMM: 6 -0.329696859841E+03 0.21784E-04 -0.25718E-05 2556 0.155E-02 0.378E-02 RMM: 7 -0.329696859292E+03 0.54946E-06 -0.19638E-05 2506 0.135E-02 3659 T= 7187. E= 0.67514006E+03 F= 0.62657213E+03 E0= 0.65513162E+03 EK= 0.58529E+02 SP= -.10E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329823731068E+03 -0.12687E+00 -0.12327E-01 7688 0.255E+01 0.152E-01 RMM: 2 -0.329833522097E+03 -0.97910E-02 -0.83032E-02 4883 0.696E-01 0.616E-01 RMM: 3 -0.329830909210E+03 0.26129E-02 -0.97919E-03 5909 0.189E-01 0.132E-01 RMM: 4 -0.329830728822E+03 0.18039E-03 -0.46081E-04 4548 0.516E-02 0.111E-01 RMM: 5 -0.329830643932E+03 0.84890E-04 -0.76817E-05 3466 0.263E-02 0.576E-02 RMM: 6 -0.329830629574E+03 0.14358E-04 -0.22159E-05 2534 0.141E-02 3660 T= 7183. E= 0.67513847E+03 F= 0.62643836E+03 E0= 0.65498461E+03 EK= 0.58495E+02 SP= -.98E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329736992652E+03 0.93651E-01 -0.13125E-01 7632 0.256E+01 0.183E-01 RMM: 2 -0.329752070145E+03 -0.15077E-01 -0.10450E-01 4821 0.768E-01 0.923E-01 RMM: 3 -0.329746092812E+03 0.59773E-02 -0.12677E-02 5627 0.224E-01 0.164E-01 RMM: 4 -0.329745812614E+03 0.28020E-03 -0.70695E-04 4872 0.572E-02 0.836E-02 RMM: 5 -0.329745767329E+03 0.45285E-04 -0.86687E-05 3664 0.267E-02 0.664E-02 RMM: 6 -0.329745748649E+03 0.18680E-04 -0.26066E-05 2557 0.155E-02 3661 T= 7149. E= 0.67513868E+03 F= 0.62652324E+03 E0= 0.65505874E+03 EK= 0.58217E+02 SP= -.97E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329435386666E+03 0.31038E+00 -0.12974E-01 7720 0.256E+01 0.279E-01 RMM: 2 -0.329462357030E+03 -0.26970E-01 -0.93399E-02 4830 0.758E-01 0.168E+00 RMM: 3 -0.329442830427E+03 0.19527E-01 -0.13996E-02 5394 0.278E-01 0.236E-01 RMM: 4 -0.329442418617E+03 0.41181E-03 -0.13350E-03 4852 0.737E-02 0.867E-02 RMM: 5 -0.329442381045E+03 0.37572E-04 -0.13763E-04 4090 0.289E-02 0.813E-02 RMM: 6 -0.329442343750E+03 0.37295E-04 -0.27120E-05 2597 0.156E-02 0.516E-02 RMM: 7 -0.329442359214E+03 -0.15464E-04 -0.38920E-05 2971 0.187E-02 3662 T= 7085. E= 0.67513973E+03 F= 0.62682663E+03 E0= 0.65535444E+03 EK= 0.57695E+02 SP= -.95E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328932913996E+03 0.50943E+00 -0.13283E-01 7672 0.255E+01 0.305E-01 RMM: 2 -0.328960323933E+03 -0.27410E-01 -0.11324E-01 4836 0.825E-01 0.163E+00 RMM: 3 -0.328941966602E+03 0.18357E-01 -0.15283E-02 5406 0.284E-01 0.332E-01 RMM: 4 -0.328941196125E+03 0.77048E-03 -0.17562E-03 5018 0.911E-02 0.105E-01 RMM: 5 -0.328941296973E+03 -0.10085E-03 -0.27205E-04 3890 0.382E-02 0.163E-01 RMM: 6 -0.328941118467E+03 0.17851E-03 -0.88553E-05 3601 0.275E-02 0.386E-02 RMM: 7 -0.328941112615E+03 0.58520E-05 -0.18067E-05 2532 0.127E-02 3663 T= 6994. E= 0.67514262E+03 F= 0.62732788E+03 E0= 0.65585100E+03 EK= 0.56955E+02 SP= -.92E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328272448750E+03 0.66867E+00 -0.12805E-01 7704 0.252E+01 0.208E-01 RMM: 2 -0.328290173049E+03 -0.17724E-01 -0.10429E-01 4917 0.758E-01 0.112E+00 RMM: 3 -0.328281255730E+03 0.89173E-02 -0.11749E-02 5489 0.230E-01 0.207E-01 RMM: 4 -0.328280945461E+03 0.31027E-03 -0.91725E-04 4781 0.640E-02 0.944E-02 RMM: 5 -0.328280887021E+03 0.58440E-04 -0.12254E-04 3865 0.280E-02 0.767E-02 RMM: 6 -0.328280850346E+03 0.36676E-04 -0.27491E-05 2639 0.157E-02 0.421E-02 RMM: 7 -0.328280851873E+03 -0.15269E-05 -0.24923E-05 2566 0.149E-02 3664 T= 6882. E= 0.67514699E+03 F= 0.62798814E+03 E0= 0.65650755E+03 EK= 0.56040E+02 SP= -.90E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327511727996E+03 0.76912E+00 -0.12364E-01 7656 0.250E+01 0.238E-01 RMM: 2 -0.327528586658E+03 -0.16859E-01 -0.10072E-01 4962 0.760E-01 0.111E+00 RMM: 3 -0.327519959463E+03 0.86272E-02 -0.11753E-02 5548 0.230E-01 0.227E-01 RMM: 4 -0.327519554057E+03 0.40541E-03 -0.96090E-04 4812 0.659E-02 0.862E-02 RMM: 5 -0.327519547710E+03 0.63472E-05 -0.14303E-04 3875 0.301E-02 3665 T= 6756. E= 0.67515364E+03 F= 0.62874944E+03 E0= 0.65726709E+03 EK= 0.55017E+02 SP= -.87E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326723665054E+03 0.79589E+00 -0.13183E-01 7592 0.247E+01 0.161E-01 RMM: 2 -0.326738948372E+03 -0.15283E-01 -0.12787E-01 4954 0.824E-01 0.730E-01 RMM: 3 -0.326734971425E+03 0.39769E-02 -0.14110E-02 6043 0.208E-01 0.139E-01 RMM: 4 -0.326734630108E+03 0.34132E-03 -0.57241E-04 4576 0.572E-02 0.103E-01 RMM: 5 -0.326734554758E+03 0.75350E-04 -0.84270E-05 3629 0.252E-02 0.721E-02 RMM: 6 -0.326734540696E+03 0.14061E-04 -0.29533E-05 2629 0.162E-02 3666 T= 6627. E= 0.67516157E+03 F= 0.62953445E+03 E0= 0.65805047E+03 EK= 0.53965E+02 SP= -.85E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326004699752E+03 0.72986E+00 -0.12378E-01 7512 0.243E+01 0.358E-01 RMM: 2 -0.326041200642E+03 -0.36501E-01 -0.11982E-01 4925 0.837E-01 0.200E+00 RMM: 3 -0.326013722297E+03 0.27478E-01 -0.18030E-02 5387 0.317E-01 0.301E-01 RMM: 4 -0.326013081349E+03 0.64095E-03 -0.19630E-03 5065 0.824E-02 0.941E-02 RMM: 5 -0.326013088637E+03 -0.72874E-05 -0.21338E-04 3924 0.364E-02 0.118E-01 RMM: 6 -0.326013001788E+03 0.86849E-04 -0.52839E-05 3259 0.211E-02 0.411E-02 RMM: 7 -0.326013002271E+03 -0.48281E-06 -0.18342E-05 2514 0.134E-02 3667 T= 6505. E= 0.67516823E+03 F= 0.63025599E+03 E0= 0.65877243E+03 EK= 0.52976E+02 SP= -.82E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325427459273E+03 0.58554E+00 -0.12244E-01 7576 0.240E+01 0.372E-01 RMM: 2 -0.325468581694E+03 -0.41122E-01 -0.13123E-01 4995 0.879E-01 0.212E+00 RMM: 3 -0.325437586003E+03 0.30996E-01 -0.19129E-02 5407 0.324E-01 0.371E-01 RMM: 4 -0.325436591193E+03 0.99481E-03 -0.22810E-03 5016 0.994E-02 0.119E-01 RMM: 5 -0.325436639644E+03 -0.48450E-04 -0.32731E-04 3907 0.420E-02 0.153E-01 RMM: 6 -0.325436481499E+03 0.15814E-03 -0.95277E-05 3664 0.276E-02 0.452E-02 RMM: 7 -0.325436474668E+03 0.68317E-05 -0.19480E-05 2543 0.127E-02 3668 T= 6402. E= 0.67517357E+03 F= 0.63083251E+03 E0= 0.65935189E+03 EK= 0.52135E+02 SP= -.79E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325057834483E+03 0.37865E+00 -0.11438E-01 7728 0.238E+01 0.288E-01 RMM: 2 -0.325081594534E+03 -0.23760E-01 -0.98569E-02 5041 0.750E-01 0.152E+00 RMM: 3 -0.325065639341E+03 0.15955E-01 -0.13603E-02 5418 0.265E-01 0.261E-01 RMM: 4 -0.325065145899E+03 0.49344E-03 -0.13681E-03 4860 0.717E-02 0.887E-02 RMM: 5 -0.325065124179E+03 0.21720E-04 -0.16206E-04 3905 0.323E-02 0.893E-02 RMM: 6 -0.325065071260E+03 0.52919E-04 -0.33361E-05 2915 0.175E-02 0.391E-02 RMM: 7 -0.325065070976E+03 0.28368E-06 -0.14831E-05 2500 0.123E-02 3669 T= 6325. E= 0.67517614E+03 F= 0.63120392E+03 E0= 0.65973021E+03 EK= 0.51504E+02 SP= -.77E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324911337599E+03 0.15373E+00 -0.11386E-01 7960 0.236E+01 0.230E-01 RMM: 2 -0.324927532457E+03 -0.16195E-01 -0.94969E-02 4930 0.732E-01 0.110E+00 RMM: 3 -0.324919183157E+03 0.83493E-02 -0.11652E-02 5535 0.233E-01 0.222E-01 RMM: 4 -0.324918787839E+03 0.39532E-03 -0.98367E-04 4806 0.645E-02 0.824E-02 RMM: 5 -0.324918774586E+03 0.13253E-04 -0.13123E-04 3862 0.295E-02 3670 T= 6276. E= 0.67517550E+03 F= 0.63135021E+03 E0= 0.65988898E+03 EK= 0.51104E+02 SP= -.74E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324959501153E+03 -0.40713E-01 -0.11283E-01 7920 0.235E+01 0.140E-01 RMM: 2 -0.324971281243E+03 -0.11780E-01 -0.93268E-02 5116 0.677E-01 0.690E-01 RMM: 3 -0.324967551883E+03 0.37294E-02 -0.92687E-03 5839 0.182E-01 0.139E-01 RMM: 4 -0.324967307343E+03 0.24454E-03 -0.46516E-04 4515 0.466E-02 0.827E-02 RMM: 5 -0.324967268107E+03 0.39236E-04 -0.50505E-05 3079 0.210E-02 0.650E-02 RMM: 6 -0.324967257151E+03 0.10956E-04 -0.20909E-05 2515 0.139E-02 3671 T= 6251. E= 0.67517210E+03 F= 0.63130173E+03 E0= 0.65985827E+03 EK= 0.50906E+02 SP= -.72E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325136102699E+03 -0.16883E+00 -0.11331E-01 7720 0.235E+01 0.297E-01 RMM: 2 -0.325165898878E+03 -0.29796E-01 -0.10016E-01 4865 0.740E-01 0.176E+00 RMM: 3 -0.325144077037E+03 0.21822E-01 -0.14097E-02 5389 0.276E-01 0.295E-01 RMM: 4 -0.325143453890E+03 0.62315E-03 -0.15755E-03 4790 0.807E-02 0.943E-02 RMM: 5 -0.325143447872E+03 0.60186E-05 -0.19501E-04 3900 0.339E-02 3672 T= 6244. E= 0.67516758E+03 F= 0.63112554E+03 E0= 0.65970567E+03 EK= 0.50844E+02 SP= -.69E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325356725617E+03 -0.21327E+00 -0.11387E-01 7816 0.236E+01 0.307E-01 RMM: 2 -0.325394117635E+03 -0.37392E-01 -0.12220E-01 4990 0.800E-01 0.197E+00 RMM: 3 -0.325366540936E+03 0.27577E-01 -0.16850E-02 5419 0.295E-01 0.258E-01 RMM: 4 -0.325366074473E+03 0.46646E-03 -0.18120E-03 5096 0.799E-02 0.112E-01 RMM: 5 -0.325366002028E+03 0.72445E-04 -0.17072E-04 3957 0.321E-02 0.953E-02 RMM: 6 -0.325365951881E+03 0.50147E-04 -0.38876E-05 2918 0.190E-02 0.555E-02 RMM: 7 -0.325365959417E+03 -0.75360E-05 -0.29797E-05 2668 0.163E-02 3673 T= 6243. E= 0.67516366E+03 F= 0.63090303E+03 E0= 0.65951155E+03 EK= 0.50839E+02 SP= -.67E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325550528852E+03 -0.18458E+00 -0.12273E-01 7672 0.236E+01 0.251E-01 RMM: 2 -0.325572580992E+03 -0.22052E-01 -0.12896E-01 4765 0.823E-01 0.125E+00 RMM: 3 -0.325561401273E+03 0.11180E-01 -0.15289E-02 5651 0.248E-01 0.228E-01 RMM: 4 -0.325560957217E+03 0.44406E-03 -0.12173E-03 4758 0.765E-02 0.125E-01 RMM: 5 -0.325560938607E+03 0.18610E-04 -0.19703E-04 3888 0.340E-02 3674 T= 6240. E= 0.67516174E+03 F= 0.63070805E+03 E0= 0.65934832E+03 EK= 0.50817E+02 SP= -.65E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325669858348E+03 -0.10890E+00 -0.11642E-01 7640 0.235E+01 0.202E-01 RMM: 2 -0.325686697982E+03 -0.16840E-01 -0.11778E-01 5003 0.776E-01 0.976E-01 RMM: 3 -0.325679882307E+03 0.68157E-02 -0.13233E-02 5873 0.223E-01 0.167E-01 RMM: 4 -0.325679546849E+03 0.33546E-03 -0.74167E-04 4920 0.579E-02 0.106E-01 RMM: 5 -0.325679466147E+03 0.80701E-04 -0.98795E-05 3787 0.259E-02 0.713E-02 RMM: 6 -0.325679445351E+03 0.20796E-04 -0.26135E-05 2573 0.151E-02 0.566E-02 RMM: 7 -0.325679443532E+03 0.18198E-05 -0.63154E-05 3377 0.187E-02 3675 T= 6230. E= 0.67516197E+03 F= 0.63058955E+03 E0= 0.65926279E+03 EK= 0.50731E+02 SP= -.62E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325695547931E+03 -0.16103E-01 -0.11457E-01 7872 0.234E+01 0.180E-01 RMM: 2 -0.325708947175E+03 -0.13399E-01 -0.10299E-01 4909 0.722E-01 0.791E-01 RMM: 3 -0.325704247835E+03 0.46993E-02 -0.11029E-02 5920 0.200E-01 0.162E-01 RMM: 4 -0.325703995880E+03 0.25195E-03 -0.64811E-04 4672 0.588E-02 0.119E-01 RMM: 5 -0.325703913433E+03 0.82448E-04 -0.98002E-05 3597 0.261E-02 0.649E-02 RMM: 6 -0.325703888939E+03 0.24494E-04 -0.23441E-05 2584 0.152E-02 0.267E-02 RMM: 7 -0.325703892387E+03 -0.34480E-05 -0.12251E-05 2485 0.111E-02 3676 T= 6209. E= 0.67516317E+03 F= 0.63056510E+03 E0= 0.65927174E+03 EK= 0.50563E+02 SP= -.60E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325633019952E+03 0.70869E-01 -0.11607E-01 7784 0.233E+01 0.183E-01 RMM: 2 -0.325647482719E+03 -0.14463E-01 -0.11563E-01 4977 0.778E-01 0.791E-01 RMM: 3 -0.325643037218E+03 0.44455E-02 -0.13066E-02 5958 0.210E-01 0.160E-01 RMM: 4 -0.325642690559E+03 0.34666E-03 -0.65078E-04 4775 0.578E-02 0.103E-01 RMM: 5 -0.325642628722E+03 0.61836E-04 -0.99830E-05 3653 0.264E-02 0.744E-02 RMM: 6 -0.325642595697E+03 0.33025E-04 -0.27269E-05 2639 0.161E-02 0.382E-02 RMM: 7 -0.325642593611E+03 0.20859E-05 -0.24011E-05 2536 0.143E-02 3677 T= 6179. E= 0.67516567E+03 F= 0.63062640E+03 E0= 0.65936374E+03 EK= 0.50321E+02 SP= -.59E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325513070914E+03 0.12952E+00 -0.11555E-01 7584 0.232E+01 0.173E-01 RMM: 2 -0.325526914650E+03 -0.13844E-01 -0.11202E-01 4863 0.779E-01 0.756E-01 RMM: 3 -0.325522889357E+03 0.40253E-02 -0.13083E-02 5958 0.212E-01 0.169E-01 RMM: 4 -0.325522518148E+03 0.37121E-03 -0.63546E-04 4865 0.564E-02 0.775E-02 RMM: 5 -0.325522490873E+03 0.27274E-04 -0.87448E-05 3630 0.246E-02 0.686E-02 RMM: 6 -0.325522465940E+03 0.24933E-04 -0.24588E-05 2575 0.154E-02 0.363E-02 RMM: 7 -0.325522469561E+03 -0.36204E-05 -0.16132E-05 2500 0.126E-02 3678 T= 6144. E= 0.67516817E+03 F= 0.63074652E+03 E0= 0.65951141E+03 EK= 0.50033E+02 SP= -.57E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325366001779E+03 0.15646E+00 -0.11724E-01 7736 0.230E+01 0.176E-01 RMM: 2 -0.325380655972E+03 -0.14654E-01 -0.11574E-01 4915 0.784E-01 0.792E-01 RMM: 3 -0.325376128741E+03 0.45272E-02 -0.13079E-02 5878 0.212E-01 0.163E-01 RMM: 4 -0.325375799105E+03 0.32964E-03 -0.67839E-04 4824 0.579E-02 0.927E-02 RMM: 5 -0.325375753527E+03 0.45577E-04 -0.95623E-05 3653 0.258E-02 0.688E-02 RMM: 6 -0.325375724113E+03 0.29414E-04 -0.24919E-05 2611 0.153E-02 0.330E-02 RMM: 7 -0.325375724061E+03 0.52356E-07 -0.16919E-05 2489 0.128E-02 3679 T= 6107. E= 0.67517074E+03 F= 0.63089327E+03 E0= 0.65968036E+03 EK= 0.49733E+02 SP= -.55E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325221873249E+03 0.15385E+00 -0.10829E-01 7680 0.229E+01 0.174E-01 RMM: 2 -0.325235123909E+03 -0.13251E-01 -0.98843E-02 5004 0.721E-01 0.821E-01 RMM: 3 -0.325230183088E+03 0.49408E-02 -0.10643E-02 5817 0.200E-01 0.161E-01 RMM: 4 -0.325229908363E+03 0.27473E-03 -0.61840E-04 4799 0.537E-02 0.798E-02 RMM: 5 -0.325229876741E+03 0.31621E-04 -0.81603E-05 3581 0.241E-02 0.728E-02 RMM: 6 -0.325229847473E+03 0.29269E-04 -0.24885E-05 2591 0.155E-02 0.395E-02 RMM: 7 -0.325229847491E+03 -0.18488E-07 -0.16440E-05 2498 0.124E-02 3680 T= 6072. E= 0.67517189E+03 F= 0.63103914E+03 E0= 0.65984286E+03 EK= 0.49446E+02 SP= -.54E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325093522030E+03 0.13633E+00 -0.10649E-01 7760 0.228E+01 0.172E-01 RMM: 2 -0.325105629001E+03 -0.12107E-01 -0.88501E-02 4998 0.676E-01 0.803E-01 RMM: 3 -0.325100892137E+03 0.47369E-02 -0.94376E-03 5823 0.194E-01 0.157E-01 RMM: 4 -0.325100658218E+03 0.23392E-03 -0.57067E-04 4695 0.521E-02 0.829E-02 RMM: 5 -0.325100616404E+03 0.41814E-04 -0.72035E-05 3521 0.232E-02 0.593E-02 RMM: 6 -0.325100598725E+03 0.17679E-04 -0.20057E-05 2539 0.136E-02 3681 T= 6041. E= 0.67517231E+03 F= 0.63116839E+03 E0= 0.65998177E+03 EK= 0.49192E+02 SP= -.52E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324986473821E+03 0.11414E+00 -0.10314E-01 7704 0.228E+01 0.171E-01 RMM: 2 -0.324999137255E+03 -0.12663E-01 -0.90768E-02 5080 0.675E-01 0.829E-01 RMM: 3 -0.324994216490E+03 0.49208E-02 -0.95688E-03 5725 0.195E-01 0.200E-01 RMM: 4 -0.324993864920E+03 0.35157E-03 -0.61607E-04 4698 0.536E-02 0.808E-02 RMM: 5 -0.324993826875E+03 0.38046E-04 -0.69447E-05 3502 0.222E-02 0.684E-02 RMM: 6 -0.324993813334E+03 0.13541E-04 -0.19527E-05 2524 0.133E-02 3682 T= 6014. E= 0.67517233E+03 F= 0.63127518E+03 E0= 0.66009190E+03 EK= 0.48977E+02 SP= -.51E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324902205660E+03 0.91621E-01 -0.10359E-01 7768 0.228E+01 0.353E-01 RMM: 2 -0.324940676460E+03 -0.38471E-01 -0.98354E-02 5036 0.753E-01 0.214E+00 RMM: 3 -0.324909400092E+03 0.31276E-01 -0.16634E-02 5387 0.314E-01 0.317E-01 RMM: 4 -0.324908664985E+03 0.73511E-03 -0.19071E-03 4921 0.840E-02 0.874E-02 RMM: 5 -0.324908628405E+03 0.36580E-04 -0.17159E-04 3997 0.310E-02 0.857E-02 RMM: 6 -0.324908589055E+03 0.39350E-04 -0.28625E-05 2654 0.162E-02 0.541E-02 RMM: 7 -0.324908595436E+03 -0.63818E-05 -0.25340E-05 2572 0.160E-02 3683 T= 5993. E= 0.67517186E+03 F= 0.63136039E+03 E0= 0.66017412E+03 EK= 0.48800E+02 SP= -.50E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324835258430E+03 0.73331E-01 -0.10876E-01 7808 0.229E+01 0.309E-01 RMM: 2 -0.324864604522E+03 -0.29346E-01 -0.10685E-01 5003 0.745E-01 0.174E+00 RMM: 3 -0.324843612487E+03 0.20992E-01 -0.15128E-02 5373 0.289E-01 0.344E-01 RMM: 4 -0.324842849715E+03 0.76277E-03 -0.18732E-03 4953 0.902E-02 0.126E-01 RMM: 5 -0.324842903756E+03 -0.54041E-04 -0.29834E-04 3913 0.428E-02 0.158E-01 RMM: 6 -0.324842732247E+03 0.17151E-03 -0.95875E-05 3677 0.282E-02 0.389E-02 RMM: 7 -0.324842729851E+03 0.23961E-05 -0.18223E-05 2541 0.125E-02 3684 T= 5976. E= 0.67517227E+03 F= 0.63142626E+03 E0= 0.66023092E+03 EK= 0.48662E+02 SP= -.49E+01 SK= 0.96E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324789951663E+03 0.52781E-01 -0.10797E-01 8128 0.229E+01 0.256E-01 RMM: 2 -0.324814277880E+03 -0.24326E-01 -0.11387E-01 5058 0.762E-01 0.147E+00 RMM: 3 -0.324799272222E+03 0.15006E-01 -0.13600E-02 5488 0.252E-01 0.229E-01 RMM: 4 -0.324798857390E+03 0.41483E-03 -0.12427E-03 5040 0.679E-02 0.932E-02 RMM: 5 -0.324798795640E+03 0.61750E-04 -0.12734E-04 3826 0.296E-02 0.749E-02 RMM: 6 -0.324798763012E+03 0.32628E-04 -0.27248E-05 2617 0.155E-02 0.487E-02 RMM: 7 -0.324798763737E+03 -0.72456E-06 -0.22378E-05 2562 0.141E-02 3685 T= 5964. E= 0.67517230E+03 F= 0.63147023E+03 E0= 0.66026046E+03 EK= 0.48564E+02 SP= -.49E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324774123316E+03 0.24640E-01 -0.10776E-01 8320 0.230E+01 0.215E-01 RMM: 2 -0.324793177654E+03 -0.19054E-01 -0.12255E-01 4984 0.788E-01 0.110E+00 RMM: 3 -0.324784523519E+03 0.86541E-02 -0.13721E-02 5748 0.229E-01 0.203E-01 RMM: 4 -0.324784091909E+03 0.43161E-03 -0.91281E-04 4874 0.639E-02 0.851E-02 RMM: 5 -0.324784069885E+03 0.22024E-04 -0.12346E-04 3845 0.283E-02 0.777E-02 RMM: 6 -0.324784034344E+03 0.35541E-04 -0.27610E-05 2662 0.159E-02 0.404E-02 RMM: 7 -0.324784037695E+03 -0.33514E-05 -0.16228E-05 2508 0.126E-02 3686 T= 5957. E= 0.67517274E+03 F= 0.63148495E+03 E0= 0.66025577E+03 EK= 0.48514E+02 SP= -.48E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324803554247E+03 -0.19520E-01 -0.12706E-01 7968 0.231E+01 0.186E-01 RMM: 2 -0.324821720567E+03 -0.18166E-01 -0.15224E-01 4879 0.882E-01 0.794E-01 RMM: 3 -0.324816783976E+03 0.49366E-02 -0.16677E-02 6027 0.236E-01 0.154E-01 RMM: 4 -0.324816389871E+03 0.39410E-03 -0.79564E-04 4887 0.633E-02 0.120E-01 RMM: 5 -0.324816299535E+03 0.90336E-04 -0.12031E-04 3780 0.301E-02 0.678E-02 RMM: 6 -0.324816274131E+03 0.25404E-04 -0.26248E-05 2570 0.151E-02 0.423E-02 RMM: 7 -0.324816270314E+03 0.38175E-05 -0.24103E-05 2559 0.148E-02 3687 T= 5960. E= 0.67517351E+03 F= 0.63145272E+03 E0= 0.66020029E+03 EK= 0.48531E+02 SP= -.48E+01 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324910146853E+03 -0.93873E-01 -0.12286E-01 8136 0.231E+01 0.215E-01 RMM: 2 -0.324929241223E+03 -0.19094E-01 -0.13184E-01 5003 0.814E-01 0.105E+00 RMM: 3 -0.324921250872E+03 0.79904E-02 -0.13867E-02 5851 0.232E-01 0.211E-01 RMM: 4 -0.324920799230E+03 0.45164E-03 -0.89220E-04 4839 0.642E-02 0.947E-02 RMM: 5 -0.324920760812E+03 0.38418E-04 -0.12633E-04 3792 0.286E-02 0.840E-02 RMM: 6 -0.324920721597E+03 0.39216E-04 -0.31311E-05 2804 0.170E-02 0.493E-02 RMM: 7 -0.324920725008E+03 -0.34111E-05 -0.33254E-05 2634 0.167E-02 3688 T= 5973. E= 0.67517471E+03 F= 0.63134826E+03 E0= 0.66007018E+03 EK= 0.48640E+02 SP= -.48E+01 SK= 0.35E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325118119962E+03 -0.19740E+00 -0.12646E-01 8368 0.231E+01 0.212E-01 RMM: 2 -0.325135928045E+03 -0.17808E-01 -0.13210E-01 5059 0.808E-01 0.946E-01 RMM: 3 -0.325129208243E+03 0.67198E-02 -0.13599E-02 5897 0.226E-01 0.200E-01 RMM: 4 -0.325128799571E+03 0.40867E-03 -0.87730E-04 4800 0.648E-02 0.108E-01 RMM: 5 -0.325128734231E+03 0.65340E-04 -0.12627E-04 3831 0.282E-02 0.775E-02 RMM: 6 -0.325128700741E+03 0.33490E-04 -0.26799E-05 2630 0.158E-02 0.407E-02 RMM: 7 -0.325128700530E+03 0.21162E-06 -0.18795E-05 2525 0.130E-02 3689 T= 6001. E= 0.67517587E+03 F= 0.63114029E+03 E0= 0.65983522E+03 EK= 0.48870E+02 SP= -.48E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325463181653E+03 -0.33448E+00 -0.12705E-01 8136 0.232E+01 0.215E-01 RMM: 2 -0.325481931008E+03 -0.18749E-01 -0.13230E-01 5139 0.805E-01 0.102E+00 RMM: 3 -0.325474227711E+03 0.77033E-02 -0.13127E-02 5900 0.223E-01 0.214E-01 RMM: 4 -0.325473769761E+03 0.45795E-03 -0.86518E-04 4770 0.642E-02 0.102E-01 RMM: 5 -0.325473717845E+03 0.51916E-04 -0.12952E-04 3795 0.284E-02 0.874E-02 RMM: 6 -0.325473673339E+03 0.44506E-04 -0.31921E-05 2820 0.173E-02 0.500E-02 RMM: 7 -0.325473671134E+03 0.22051E-05 -0.35198E-05 2649 0.167E-02 3690 T= 6048. E= 0.67517676E+03 F= 0.63079532E+03 E0= 0.65946463E+03 EK= 0.49255E+02 SP= -.49E+01 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325976002833E+03 -0.50233E+00 -0.12205E-01 8312 0.232E+01 0.225E-01 RMM: 2 -0.325993688768E+03 -0.17686E-01 -0.11769E-01 5269 0.757E-01 0.105E+00 RMM: 3 -0.325985525158E+03 0.81636E-02 -0.11249E-02 5821 0.212E-01 0.198E-01 RMM: 4 -0.325985173654E+03 0.35150E-03 -0.85732E-04 4766 0.631E-02 0.106E-01 RMM: 5 -0.325985109980E+03 0.63674E-04 -0.12059E-04 3794 0.270E-02 0.800E-02 RMM: 6 -0.325985074313E+03 0.35667E-04 -0.27670E-05 2721 0.163E-02 0.438E-02 RMM: 7 -0.325985075481E+03 -0.11680E-05 -0.19979E-05 2535 0.131E-02 3691 T= 6118. E= 0.67517676E+03 F= 0.63028391E+03 E0= 0.65893000E+03 EK= 0.49823E+02 SP= -.49E+01 SK= 0.90E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326669839344E+03 -0.68477E+00 -0.11916E-01 8328 0.233E+01 0.210E-01 RMM: 2 -0.326686387642E+03 -0.16548E-01 -0.11429E-01 5346 0.725E-01 0.977E-01 RMM: 3 -0.326678970117E+03 0.74175E-02 -0.10015E-02 5816 0.200E-01 0.198E-01 RMM: 4 -0.326678644384E+03 0.32573E-03 -0.77558E-04 4734 0.602E-02 0.109E-01 RMM: 5 -0.326678581552E+03 0.62832E-04 -0.11788E-04 3770 0.269E-02 0.856E-02 RMM: 6 -0.326678538422E+03 0.43131E-04 -0.31379E-05 2860 0.174E-02 0.460E-02 RMM: 7 -0.326678540179E+03 -0.17579E-05 -0.26695E-05 2596 0.144E-02 3692 T= 6212. E= 0.67517504E+03 F= 0.62959045E+03 E0= 0.65821895E+03 EK= 0.50585E+02 SP= -.50E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327538663455E+03 -0.86013E+00 -0.12268E-01 8416 0.234E+01 0.225E-01 RMM: 2 -0.327556301497E+03 -0.17638E-01 -0.11422E-01 5255 0.740E-01 0.107E+00 RMM: 3 -0.327547820588E+03 0.84809E-02 -0.10911E-02 5735 0.212E-01 0.197E-01 RMM: 4 -0.327547486332E+03 0.33426E-03 -0.85180E-04 4812 0.616E-02 0.988E-02 RMM: 5 -0.327547437717E+03 0.48615E-04 -0.11757E-04 3808 0.272E-02 0.808E-02 RMM: 6 -0.327547400752E+03 0.36966E-04 -0.29196E-05 2790 0.165E-02 0.443E-02 RMM: 7 -0.327547404436E+03 -0.36839E-05 -0.19875E-05 2528 0.132E-02 3693 T= 6328. E= 0.67517146E+03 F= 0.62872158E+03 E0= 0.65733820E+03 EK= 0.51532E+02 SP= -.51E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328546232598E+03 -0.99883E+00 -0.12381E-01 8248 0.235E+01 0.198E-01 RMM: 2 -0.328562011844E+03 -0.15779E-01 -0.11707E-01 5215 0.742E-01 0.886E-01 RMM: 3 -0.328555772407E+03 0.62394E-02 -0.10765E-02 5800 0.207E-01 0.164E-01 RMM: 4 -0.328555542669E+03 0.22974E-03 -0.73370E-04 4789 0.576E-02 0.113E-01 RMM: 5 -0.328555470659E+03 0.72010E-04 -0.10707E-04 3704 0.267E-02 0.782E-02 RMM: 6 -0.328555436038E+03 0.34620E-04 -0.29066E-05 2732 0.165E-02 0.428E-02 RMM: 7 -0.328555439095E+03 -0.30568E-05 -0.24030E-05 2561 0.143E-02 3694 T= 6462. E= 0.67516567E+03 F= 0.62771355E+03 E0= 0.65632596E+03 EK= 0.52625E+02 SP= -.52E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329622855389E+03 -0.10674E+01 -0.12831E-01 8344 0.237E+01 0.194E-01 RMM: 2 -0.329639152750E+03 -0.16297E-01 -0.12412E-01 5204 0.761E-01 0.876E-01 RMM: 3 -0.329633069782E+03 0.60830E-02 -0.11343E-02 5851 0.209E-01 0.174E-01 RMM: 4 -0.329632778706E+03 0.29108E-03 -0.72949E-04 4810 0.574E-02 0.993E-02 RMM: 5 -0.329632722877E+03 0.55829E-04 -0.10205E-04 3713 0.264E-02 0.753E-02 RMM: 6 -0.329632692846E+03 0.30031E-04 -0.27748E-05 2689 0.160E-02 0.462E-02 RMM: 7 -0.329632696398E+03 -0.35516E-05 -0.25438E-05 2576 0.148E-02 3695 T= 6605. E= 0.67515741E+03 F= 0.62663629E+03 E0= 0.65525035E+03 EK= 0.53788E+02 SP= -.53E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330667400821E+03 -0.10347E+01 -0.12958E-01 8384 0.239E+01 0.174E-01 RMM: 2 -0.330682058508E+03 -0.14658E-01 -0.12434E-01 5310 0.738E-01 0.705E-01 RMM: 3 -0.330677530435E+03 0.45281E-02 -0.10661E-02 5905 0.202E-01 0.132E-01 RMM: 4 -0.330677393081E+03 0.13735E-03 -0.65973E-04 4750 0.541E-02 0.118E-01 RMM: 5 -0.330677303048E+03 0.90033E-04 -0.95609E-05 3599 0.248E-02 0.689E-02 RMM: 6 -0.330677281161E+03 0.21887E-04 -0.23846E-05 2562 0.148E-02 0.447E-02 RMM: 7 -0.330677277284E+03 0.38772E-05 -0.29099E-05 2636 0.155E-02 3696 T= 6743. E= 0.67514778E+03 F= 0.62559171E+03 E0= 0.65421312E+03 EK= 0.54914E+02 SP= -.54E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331557984969E+03 -0.88070E+00 -0.13933E-01 8304 0.241E+01 0.169E-01 RMM: 2 -0.331574738988E+03 -0.16754E-01 -0.14234E-01 5261 0.776E-01 0.730E-01 RMM: 3 -0.331569728050E+03 0.50109E-02 -0.12056E-02 6014 0.211E-01 0.159E-01 RMM: 4 -0.331569475648E+03 0.25240E-03 -0.67529E-04 4698 0.570E-02 0.114E-01 RMM: 5 -0.331569389996E+03 0.85652E-04 -0.10262E-04 3663 0.268E-02 0.724E-02 RMM: 6 -0.331569367947E+03 0.22050E-04 -0.26279E-05 2631 0.156E-02 0.536E-02 RMM: 7 -0.331569364968E+03 0.29791E-05 -0.33685E-05 2658 0.167E-02 3697 T= 6862. E= 0.67513858E+03 F= 0.62469962E+03 E0= 0.65333027E+03 EK= 0.55881E+02 SP= -.55E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332183335942E+03 -0.61397E+00 -0.14790E-01 8680 0.243E+01 0.174E-01 RMM: 2 -0.332199620283E+03 -0.16284E-01 -0.14371E-01 5415 0.772E-01 0.676E-01 RMM: 3 -0.332195051779E+03 0.45685E-02 -0.11641E-02 6138 0.206E-01 0.148E-01 RMM: 4 -0.332194857640E+03 0.19414E-03 -0.64230E-04 4681 0.557E-02 0.125E-01 RMM: 5 -0.332194754035E+03 0.10360E-03 -0.10309E-04 3616 0.261E-02 0.686E-02 RMM: 6 -0.332194736787E+03 0.17249E-04 -0.25030E-05 2604 0.153E-02 3698 T= 6947. E= 0.67513188E+03 F= 0.62407425E+03 E0= 0.65271387E+03 EK= 0.56569E+02 SP= -.55E+01 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332452072224E+03 -0.25732E+00 -0.16152E-01 8480 0.244E+01 0.213E-01 RMM: 2 -0.332477814718E+03 -0.25742E-01 -0.17039E-01 5335 0.838E-01 0.120E+00 RMM: 3 -0.332466206803E+03 0.11608E-01 -0.15244E-02 5573 0.249E-01 0.200E-01 RMM: 4 -0.332465873693E+03 0.33311E-03 -0.11215E-03 4958 0.675E-02 0.105E-01 RMM: 5 -0.332465793498E+03 0.80195E-04 -0.12945E-04 4067 0.277E-02 0.748E-02 RMM: 6 -0.332465778331E+03 0.15167E-04 -0.28506E-05 2663 0.159E-02 3699 T= 6986. E= 0.67512914E+03 F= 0.62380321E+03 E0= 0.65244938E+03 EK= 0.56890E+02 SP= -.56E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332325672319E+03 0.14012E+00 -0.16610E-01 8440 0.245E+01 0.380E-01 RMM: 2 -0.332379524012E+03 -0.53852E-01 -0.18321E-01 5141 0.916E-01 0.235E+00 RMM: 3 -0.332339877494E+03 0.39647E-01 -0.22247E-02 5409 0.340E-01 0.322E-01 RMM: 4 -0.332339063214E+03 0.81428E-03 -0.25004E-03 5186 0.988E-02 0.108E-01 RMM: 5 -0.332339010313E+03 0.52901E-04 -0.25947E-04 4362 0.333E-02 0.103E-01 RMM: 6 -0.332338949758E+03 0.60554E-04 -0.41129E-05 3007 0.193E-02 0.620E-02 RMM: 7 -0.332338971986E+03 -0.22228E-04 -0.39262E-05 2920 0.180E-02 0.906E-02 RMM: 8 -0.332338912450E+03 0.59537E-04 -0.10119E-04 3889 0.216E-02 0.327E-02 RMM: 9 -0.332338913025E+03 -0.57500E-06 -0.21064E-05 2573 0.125E-02 3700 T= 6975. E= 0.67512974E+03 F= 0.62393008E+03 E0= 0.65257969E+03 EK= 0.56797E+02 SP= -.56E+01 SK= 0.91E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331807699365E+03 0.53121E+00 -0.17085E-01 8392 0.245E+01 0.287E-01 RMM: 2 -0.331839141098E+03 -0.31442E-01 -0.19305E-01 5286 0.874E-01 0.141E+00 RMM: 3 -0.331822823848E+03 0.16317E-01 -0.16530E-02 5437 0.283E-01 0.290E-01 RMM: 4 -0.331822402839E+03 0.42101E-03 -0.19978E-03 5162 0.977E-02 0.186E-01 RMM: 5 -0.331822235462E+03 0.16738E-03 -0.30006E-04 3927 0.420E-02 0.122E-01 RMM: 6 -0.331822138363E+03 0.97099E-04 -0.66867E-05 3425 0.237E-02 0.374E-02 RMM: 7 -0.331822147440E+03 -0.90770E-05 -0.27441E-05 2670 0.152E-02 3701 T= 6913. E= 0.67513405E+03 F= 0.62444684E+03 E0= 0.65309412E+03 EK= 0.56297E+02 SP= -.56E+01 SK= 0.37E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.330956133848E+03 0.86600E+00 -0.17734E-01 8664 0.243E+01 0.213E-01 RMM: 2 -0.330981932514E+03 -0.25799E-01 -0.19368E-01 5368 0.894E-01 0.107E+00 RMM: 3 -0.330972151260E+03 0.97813E-02 -0.14893E-02 5948 0.241E-01 0.195E-01 RMM: 4 -0.330971749959E+03 0.40130E-03 -0.92865E-04 4811 0.656E-02 0.965E-02 RMM: 5 -0.330971697570E+03 0.52388E-04 -0.12695E-04 4037 0.276E-02 0.789E-02 RMM: 6 -0.330971665409E+03 0.32162E-04 -0.29596E-05 2669 0.164E-02 0.533E-02 RMM: 7 -0.330971680505E+03 -0.15097E-04 -0.53477E-05 3220 0.199E-02 3702 T= 6809. E= 0.67514053E+03 F= 0.62529731E+03 E0= 0.65393777E+03 EK= 0.55449E+02 SP= -.56E+01 SK= 0.18E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329862161602E+03 0.11095E+01 -0.18408E-01 8712 0.241E+01 0.214E-01 RMM: 2 -0.329888297071E+03 -0.26135E-01 -0.20261E-01 5337 0.922E-01 0.103E+00 RMM: 3 -0.329879177272E+03 0.91198E-02 -0.15904E-02 5973 0.242E-01 0.170E-01 RMM: 4 -0.329878841450E+03 0.33582E-03 -0.97405E-04 4775 0.690E-02 0.129E-01 RMM: 5 -0.329878744165E+03 0.97285E-04 -0.14602E-04 3822 0.312E-02 0.719E-02 RMM: 6 -0.329878714759E+03 0.29405E-04 -0.31509E-05 2854 0.169E-02 0.392E-02 RMM: 7 -0.329878721855E+03 -0.70951E-05 -0.23444E-05 2563 0.146E-02 3703 T= 6674. E= 0.67514856E+03 F= 0.62639027E+03 E0= 0.65502194E+03 EK= 0.54349E+02 SP= -.56E+01 SK= 0.71E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328641103984E+03 0.12376E+01 -0.19069E-01 8712 0.239E+01 0.215E-01 RMM: 2 -0.328666491815E+03 -0.25388E-01 -0.20783E-01 5226 0.960E-01 0.936E-01 RMM: 3 -0.328658881281E+03 0.76105E-02 -0.17482E-02 6103 0.249E-01 0.197E-01 RMM: 4 -0.328658396253E+03 0.48503E-03 -0.95429E-04 4738 0.696E-02 0.111E-01 RMM: 5 -0.328658337132E+03 0.59121E-04 -0.14629E-04 3897 0.297E-02 0.907E-02 RMM: 6 -0.328658287639E+03 0.49493E-04 -0.35569E-05 2937 0.180E-02 0.442E-02 RMM: 7 -0.328658293660E+03 -0.60210E-05 -0.29524E-05 2645 0.164E-02 3704 T= 6522. E= 0.67515767E+03 F= 0.62761070E+03 E0= 0.65623133E+03 EK= 0.53115E+02 SP= -.56E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327422661320E+03 0.12356E+01 -0.17786E-01 8832 0.236E+01 0.192E-01 RMM: 2 -0.327444603601E+03 -0.21942E-01 -0.18747E-01 5435 0.881E-01 0.807E-01 RMM: 3 -0.327438230755E+03 0.63728E-02 -0.13644E-02 6057 0.224E-01 0.177E-01 RMM: 4 -0.327437888904E+03 0.34185E-03 -0.79278E-04 4768 0.621E-02 0.114E-01 RMM: 5 -0.327437813278E+03 0.75626E-04 -0.11887E-04 3743 0.281E-02 0.721E-02 RMM: 6 -0.327437787226E+03 0.26052E-04 -0.28829E-05 2788 0.162E-02 0.428E-02 RMM: 7 -0.327437799427E+03 -0.12201E-04 -0.27085E-05 2612 0.152E-02 3705 T= 6371. E= 0.67516655E+03 F= 0.62883119E+03 E0= 0.65744263E+03 EK= 0.51881E+02 SP= -.55E+01 SK= 0.84E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326327480367E+03 0.11103E+01 -0.17115E-01 8928 0.234E+01 0.201E-01 RMM: 2 -0.326348178726E+03 -0.20698E-01 -0.17343E-01 5440 0.857E-01 0.842E-01 RMM: 3 -0.326341785575E+03 0.63932E-02 -0.12568E-02 6135 0.216E-01 0.159E-01 RMM: 4 -0.326341524955E+03 0.26062E-03 -0.73209E-04 4764 0.594E-02 0.128E-01 RMM: 5 -0.326341434843E+03 0.90112E-04 -0.11852E-04 3720 0.282E-02 0.788E-02 RMM: 6 -0.326341399948E+03 0.34895E-04 -0.33027E-05 2935 0.174E-02 0.417E-02 RMM: 7 -0.326341405177E+03 -0.52290E-05 -0.23890E-05 2569 0.144E-02 3706 T= 6235. E= 0.67517425E+03 F= 0.62992758E+03 E0= 0.65853116E+03 EK= 0.50774E+02 SP= -.55E+01 SK= 0.34E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325461261013E+03 0.88014E+00 -0.15646E-01 8928 0.231E+01 0.185E-01 RMM: 2 -0.325480124783E+03 -0.18864E-01 -0.15634E-01 5442 0.809E-01 0.810E-01 RMM: 3 -0.325474121712E+03 0.60031E-02 -0.10927E-02 6006 0.207E-01 0.167E-01 RMM: 4 -0.325473853014E+03 0.26870E-03 -0.68951E-04 4787 0.563E-02 0.104E-01 RMM: 5 -0.325473791764E+03 0.61251E-04 -0.10017E-04 3631 0.257E-02 0.728E-02 RMM: 6 -0.325473764686E+03 0.27078E-04 -0.27012E-05 2722 0.159E-02 0.438E-02 RMM: 7 -0.325473772629E+03 -0.79433E-05 -0.25650E-05 2596 0.147E-02 3707 T= 6128. E= 0.67517940E+03 F= 0.63079522E+03 E0= 0.65939500E+03 EK= 0.49904E+02 SP= -.55E+01 SK= 0.11E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.324895201068E+03 0.57856E+00 -0.14721E-01 8848 0.230E+01 0.187E-01 RMM: 2 -0.324912561706E+03 -0.17361E-01 -0.14172E-01 5395 0.783E-01 0.816E-01 RMM: 3 -0.324906728158E+03 0.58335E-02 -0.10522E-02 6045 0.203E-01 0.167E-01 RMM: 4 -0.324906477052E+03 0.25111E-03 -0.66656E-04 4793 0.555E-02 0.104E-01 RMM: 5 -0.324906419931E+03 0.57121E-04 -0.97162E-05 3608 0.250E-02 0.779E-02 RMM: 6 -0.324906387316E+03 0.32615E-04 -0.29133E-05 2810 0.167E-02 0.412E-02 RMM: 7 -0.324906391264E+03 -0.39478E-05 -0.25104E-05 2584 0.146E-02 3708 T= 6060. E= 0.67518179E+03 F= 0.63136260E+03 E0= 0.65996117E+03 EK= 0.49345E+02 SP= -.55E+01 SK= 0.44E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324657182520E+03 0.24920E+00 -0.13860E-01 8744 0.229E+01 0.172E-01 RMM: 2 -0.324673532893E+03 -0.16350E-01 -0.13315E-01 5366 0.764E-01 0.788E-01 RMM: 3 -0.324668191086E+03 0.53418E-02 -0.10378E-02 6042 0.195E-01 0.151E-01 RMM: 4 -0.324667950844E+03 0.24024E-03 -0.59899E-04 4652 0.533E-02 0.102E-01 RMM: 5 -0.324667887649E+03 0.63194E-04 -0.88302E-05 3576 0.245E-02 0.666E-02 RMM: 6 -0.324667866330E+03 0.21319E-04 -0.24126E-05 2594 0.152E-02 0.425E-02 RMM: 7 -0.324667871151E+03 -0.48206E-05 -0.22475E-05 2569 0.137E-02 3709 T= 6033. E= 0.67518076E+03 F= 0.63160112E+03 E0= 0.66020056E+03 EK= 0.49127E+02 SP= -.55E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324728349782E+03 -0.60483E-01 -0.12850E-01 8512 0.230E+01 0.181E-01 RMM: 2 -0.324743031728E+03 -0.14682E-01 -0.12122E-01 5208 0.756E-01 0.756E-01 RMM: 3 -0.324738429417E+03 0.46023E-02 -0.10699E-02 6082 0.199E-01 0.153E-01 RMM: 4 -0.324738167875E+03 0.26154E-03 -0.60119E-04 4778 0.535E-02 0.953E-02 RMM: 5 -0.324738116279E+03 0.51596E-04 -0.83980E-05 3609 0.237E-02 0.739E-02 RMM: 6 -0.324738088131E+03 0.28147E-04 -0.24363E-05 2578 0.153E-02 0.405E-02 RMM: 7 -0.324738089513E+03 -0.13821E-05 -0.22892E-05 2564 0.139E-02 3710 T= 6046. E= 0.67517618E+03 F= 0.63153090E+03 E0= 0.66013066E+03 EK= 0.49231E+02 SP= -.56E+01 SK= 0.50E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325042251890E+03 -0.30416E+00 -0.11578E-01 8488 0.231E+01 0.177E-01 RMM: 2 -0.325056803267E+03 -0.14551E-01 -0.10928E-01 5160 0.722E-01 0.842E-01 RMM: 3 -0.325051263693E+03 0.55396E-02 -0.10051E-02 5988 0.194E-01 0.160E-01 RMM: 4 -0.325050996710E+03 0.26698E-03 -0.59916E-04 4684 0.541E-02 0.916E-02 RMM: 5 -0.325050944582E+03 0.52128E-04 -0.84787E-05 3602 0.236E-02 0.674E-02 RMM: 6 -0.325050921856E+03 0.22726E-04 -0.22256E-05 2560 0.145E-02 0.424E-02 RMM: 7 -0.325050923021E+03 -0.11649E-05 -0.21487E-05 2543 0.136E-02 3711 T= 6090. E= 0.67516922E+03 F= 0.63121807E+03 E0= 0.65981662E+03 EK= 0.49592E+02 SP= -.56E+01 SK= 0.89E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325498012501E+03 -0.44709E+00 -0.11988E-01 7960 0.232E+01 0.182E-01 RMM: 2 -0.325512788492E+03 -0.14776E-01 -0.12021E-01 4968 0.790E-01 0.775E-01 RMM: 3 -0.325508264551E+03 0.45239E-02 -0.12661E-02 6012 0.213E-01 0.157E-01 RMM: 4 -0.325507950994E+03 0.31356E-03 -0.65985E-04 4774 0.568E-02 0.982E-02 RMM: 5 -0.325507888554E+03 0.62440E-04 -0.94324E-05 3706 0.255E-02 0.690E-02 RMM: 6 -0.325507864967E+03 0.23587E-04 -0.24887E-05 2569 0.152E-02 0.402E-02 RMM: 7 -0.325507864735E+03 0.23253E-06 -0.22156E-05 2563 0.136E-02 3712 T= 6154. E= 0.67516176E+03 F= 0.63076112E+03 E0= 0.65935507E+03 EK= 0.50111E+02 SP= -.57E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325995075069E+03 -0.48721E+00 -0.11474E-01 8120 0.234E+01 0.192E-01 RMM: 2 -0.326009006114E+03 -0.13931E-01 -0.97387E-02 5159 0.707E-01 0.905E-01 RMM: 3 -0.326003062687E+03 0.59434E-02 -0.97114E-03 5847 0.194E-01 0.179E-01 RMM: 4 -0.326002758461E+03 0.30423E-03 -0.64359E-04 4685 0.558E-02 0.895E-02 RMM: 5 -0.326002710365E+03 0.48096E-04 -0.91305E-05 3697 0.240E-02 0.724E-02 RMM: 6 -0.326002682903E+03 0.27462E-04 -0.22699E-05 2561 0.146E-02 0.428E-02 RMM: 7 -0.326002683347E+03 -0.44391E-06 -0.22357E-05 2544 0.139E-02 3713 T= 6224. E= 0.67515551E+03 F= 0.63026631E+03 E0= 0.65885273E+03 EK= 0.50683E+02 SP= -.58E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326440641233E+03 -0.43796E+00 -0.11343E-01 7880 0.235E+01 0.181E-01 RMM: 2 -0.326451801164E+03 -0.11160E-01 -0.85417E-02 5248 0.662E-01 0.766E-01 RMM: 3 -0.326447522650E+03 0.42785E-02 -0.80691E-03 5854 0.178E-01 0.147E-01 RMM: 4 -0.326447339920E+03 0.18273E-03 -0.53403E-04 4574 0.499E-02 0.103E-01 RMM: 5 -0.326447268078E+03 0.71842E-04 -0.76912E-05 3561 0.225E-02 0.646E-02 RMM: 6 -0.326447248164E+03 0.19914E-04 -0.21830E-05 2558 0.144E-02 3714 T= 6290. E= 0.67515181E+03 F= 0.62982174E+03 E0= 0.65839754E+03 EK= 0.51218E+02 SP= -.59E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326784491771E+03 -0.33722E+00 -0.11591E-01 7808 0.236E+01 0.200E-01 RMM: 2 -0.326798793327E+03 -0.14302E-01 -0.85745E-02 5240 0.661E-01 0.102E+00 RMM: 3 -0.326791385703E+03 0.74076E-02 -0.82579E-03 5486 0.195E-01 0.189E-01 RMM: 4 -0.326791133757E+03 0.25195E-03 -0.69441E-04 4793 0.535E-02 0.819E-02 RMM: 5 -0.326791083646E+03 0.50111E-04 -0.75422E-05 3630 0.229E-02 0.664E-02 RMM: 6 -0.326791070796E+03 0.12850E-04 -0.23514E-05 2566 0.144E-02 3715 T= 6344. E= 0.67515124E+03 F= 0.62947792E+03 E0= 0.65804198E+03 EK= 0.51665E+02 SP= -.60E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327017299505E+03 -0.22622E+00 -0.11448E-01 7696 0.236E+01 0.326E-01 RMM: 2 -0.327048580642E+03 -0.31281E-01 -0.90149E-02 5158 0.711E-01 0.188E+00 RMM: 3 -0.327024094900E+03 0.24486E-01 -0.13553E-02 5373 0.280E-01 0.332E-01 RMM: 4 -0.327023319528E+03 0.77537E-03 -0.16247E-03 4724 0.845E-02 0.842E-02 RMM: 5 -0.327023305714E+03 0.13814E-04 -0.19243E-04 4221 0.297E-02 3716 T= 6387. E= 0.67515307E+03 F= 0.62924568E+03 E0= 0.65779775E+03 EK= 0.52008E+02 SP= -.61E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327149329267E+03 -0.12601E+00 -0.11610E-01 7880 0.236E+01 0.262E-01 RMM: 2 -0.327174105974E+03 -0.24777E-01 -0.99162E-02 5136 0.708E-01 0.152E+00 RMM: 3 -0.327157332579E+03 0.16773E-01 -0.11644E-02 5388 0.249E-01 0.297E-01 RMM: 4 -0.327156716669E+03 0.61591E-03 -0.13198E-03 4701 0.758E-02 0.929E-02 RMM: 5 -0.327156679743E+03 0.36925E-04 -0.14940E-04 4216 0.284E-02 0.846E-02 RMM: 6 -0.327156649019E+03 0.30724E-04 -0.24578E-05 2577 0.146E-02 0.657E-02 RMM: 7 -0.327156686328E+03 -0.37309E-04 -0.75955E-05 3602 0.228E-02 0.108E-01 RMM: 8 -0.327156615651E+03 0.70677E-04 -0.11988E-04 3888 0.262E-02 0.405E-02 RMM: 9 -0.327156607816E+03 0.78359E-05 -0.17345E-05 2550 0.121E-02 3717 T= 6417. E= 0.67515559E+03 F= 0.62911238E+03 E0= 0.65765286E+03 EK= 0.52259E+02 SP= -.62E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327202365081E+03 -0.45749E-01 -0.12586E-01 8008 0.235E+01 0.225E-01 RMM: 2 -0.327216597262E+03 -0.14232E-01 -0.11447E-01 4848 0.768E-01 0.802E-01 RMM: 3 -0.327211741452E+03 0.48558E-02 -0.12177E-02 5867 0.214E-01 0.162E-01 RMM: 4 -0.327211783009E+03 -0.41556E-04 -0.92769E-04 4721 0.723E-02 0.236E-01 RMM: 5 -0.327211425694E+03 0.35731E-03 -0.22306E-04 3921 0.394E-02 0.778E-02 RMM: 6 -0.327211395948E+03 0.29745E-04 -0.46164E-05 3160 0.204E-02 0.418E-02 RMM: 7 -0.327211419716E+03 -0.23768E-04 -0.27666E-05 2630 0.161E-02 0.694E-02 RMM: 8 -0.327211391944E+03 0.27772E-04 -0.20883E-05 2597 0.151E-02 0.200E-02 RMM: 9 -0.327211391802E+03 0.14296E-06 -0.66350E-06 2450 0.780E-03 3718 T= 6439. E= 0.67515648E+03 F= 0.62905760E+03 E0= 0.65758710E+03 EK= 0.52433E+02 SP= -.64E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327191803320E+03 0.19589E-01 -0.13152E-01 8312 0.235E+01 0.161E-01 RMM: 2 -0.327207288502E+03 -0.15485E-01 -0.12618E-01 5062 0.786E-01 0.758E-01 RMM: 3 -0.327202689044E+03 0.45995E-02 -0.12190E-02 5891 0.212E-01 0.140E-01 RMM: 4 -0.327202428869E+03 0.26017E-03 -0.61163E-04 4778 0.548E-02 0.888E-02 RMM: 5 -0.327202373259E+03 0.55611E-04 -0.78381E-05 3628 0.242E-02 0.622E-02 RMM: 6 -0.327202362061E+03 0.11197E-04 -0.22755E-05 2547 0.144E-02 3719 T= 6452. E= 0.67515665E+03 F= 0.62906663E+03 E0= 0.65758546E+03 EK= 0.52545E+02 SP= -.65E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327124074179E+03 0.78299E-01 -0.14429E-01 8304 0.235E+01 0.256E-01 RMM: 2 -0.327149768007E+03 -0.25694E-01 -0.14302E-01 5080 0.835E-01 0.136E+00 RMM: 3 -0.327136175226E+03 0.13593E-01 -0.15288E-02 5483 0.268E-01 0.248E-01 RMM: 4 -0.327135741079E+03 0.43415E-03 -0.14625E-03 5256 0.710E-02 0.996E-02 RMM: 5 -0.327135683597E+03 0.57481E-04 -0.11888E-04 3915 0.286E-02 0.829E-02 RMM: 6 -0.327135661950E+03 0.21647E-04 -0.27171E-05 2590 0.153E-02 0.739E-02 RMM: 7 -0.327135708621E+03 -0.46671E-04 -0.81780E-05 3647 0.240E-02 0.115E-01 RMM: 8 -0.327135626353E+03 0.82269E-04 -0.10063E-04 3890 0.236E-02 0.413E-02 RMM: 9 -0.327135617996E+03 0.83565E-05 -0.16345E-05 2559 0.117E-02 3720 T= 6459. E= 0.67515717E+03 F= 0.62913337E+03 E0= 0.65764189E+03 EK= 0.52602E+02 SP= -.66E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327007236668E+03 0.12839E+00 -0.15564E-01 8512 0.236E+01 0.277E-01 RMM: 2 -0.327033474195E+03 -0.26238E-01 -0.15504E-01 4994 0.868E-01 0.135E+00 RMM: 3 -0.327020029681E+03 0.13445E-01 -0.15945E-02 5543 0.271E-01 0.239E-01 RMM: 4 -0.327019693923E+03 0.33576E-03 -0.15792E-03 4864 0.864E-02 0.178E-01 RMM: 5 -0.327019588800E+03 0.10512E-03 -0.25977E-04 3900 0.405E-02 0.132E-01 RMM: 6 -0.327019475777E+03 0.11302E-03 -0.76535E-05 3523 0.251E-02 0.424E-02 RMM: 7 -0.327019500709E+03 -0.24931E-04 -0.39608E-05 2997 0.180E-02 0.760E-02 RMM: 8 -0.327019468330E+03 0.32379E-04 -0.36011E-05 2774 0.189E-02 0.247E-02 RMM: 9 -0.327019468451E+03 -0.12099E-06 -0.10006E-05 2466 0.931E-03 3721 T= 6461. E= 0.67515795E+03 F= 0.62924952E+03 E0= 0.65774649E+03 EK= 0.52611E+02 SP= -.67E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326854638411E+03 0.16483E+00 -0.17153E-01 8616 0.236E+01 0.206E-01 RMM: 2 -0.326876626208E+03 -0.21988E-01 -0.16953E-01 5111 0.889E-01 0.970E-01 RMM: 3 -0.326869299443E+03 0.73268E-02 -0.15850E-02 5793 0.250E-01 0.200E-01 RMM: 4 -0.326868879850E+03 0.41959E-03 -0.98174E-04 4891 0.662E-02 0.982E-02 RMM: 5 -0.326868825559E+03 0.54290E-04 -0.11968E-04 4094 0.277E-02 0.712E-02 RMM: 6 -0.326868806583E+03 0.18976E-04 -0.23673E-05 2564 0.144E-02 3722 T= 6458. E= 0.67515930E+03 F= 0.62940018E+03 E0= 0.65788435E+03 EK= 0.52587E+02 SP= -.69E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326689695645E+03 0.17913E+00 -0.18862E-01 8704 0.236E+01 0.240E-01 RMM: 2 -0.326718068084E+03 -0.28372E-01 -0.18651E-01 5204 0.916E-01 0.126E+00 RMM: 3 -0.326705672950E+03 0.12395E-01 -0.17397E-02 5572 0.274E-01 0.225E-01 RMM: 4 -0.326705246944E+03 0.42601E-03 -0.13498E-03 5294 0.704E-02 0.110E-01 RMM: 5 -0.326705191972E+03 0.54972E-04 -0.11886E-04 4024 0.278E-02 0.963E-02 RMM: 6 -0.326705175261E+03 0.16710E-04 -0.31850E-05 2603 0.168E-02 3723 T= 6453. E= 0.67516071E+03 F= 0.62956381E+03 E0= 0.65803525E+03 EK= 0.52553E+02 SP= -.70E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326538219069E+03 0.16697E+00 -0.21259E-01 8720 0.236E+01 0.527E-01 RMM: 2 -0.326608413601E+03 -0.70195E-01 -0.24622E-01 4839 0.112E+00 0.271E+00 RMM: 3 -0.326557662202E+03 0.50751E-01 -0.36286E-02 5378 0.451E-01 0.582E-01 RMM: 4 -0.326555170869E+03 0.24913E-02 -0.44520E-03 5370 0.137E-01 0.131E-01 RMM: 5 -0.326555178530E+03 -0.76609E-05 -0.54714E-04 4193 0.452E-02 0.136E-01 RMM: 6 -0.326555070542E+03 0.10799E-03 -0.80620E-05 3559 0.232E-02 0.671E-02 RMM: 7 -0.326555070055E+03 0.48721E-06 -0.29778E-05 2780 0.162E-02 3724 T= 6451. E= 0.67516262E+03 F= 0.62971392E+03 E0= 0.65817265E+03 EK= 0.52534E+02 SP= -.71E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326430998483E+03 0.12407E+00 -0.21701E-01 8896 0.236E+01 0.499E-01 RMM: 2 -0.326502317315E+03 -0.71319E-01 -0.24016E-01 4878 0.106E+00 0.269E+00 RMM: 3 -0.326450090537E+03 0.52227E-01 -0.33909E-02 5374 0.436E-01 0.518E-01 RMM: 4 -0.326448203540E+03 0.18870E-02 -0.41500E-03 5400 0.130E-01 0.160E-01 RMM: 5 -0.326448222358E+03 -0.18818E-04 -0.55528E-04 4043 0.506E-02 0.174E-01 RMM: 6 -0.326448040380E+03 0.18198E-03 -0.14053E-04 3873 0.322E-02 0.661E-02 RMM: 7 -0.326448031366E+03 0.90139E-05 -0.33312E-05 2915 0.161E-02 3725 T= 6454. E= 0.67516449E+03 F= 0.62982096E+03 E0= 0.65826833E+03 EK= 0.52560E+02 SP= -.73E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326390798741E+03 0.57242E-01 -0.22611E-01 8920 0.236E+01 0.410E-01 RMM: 2 -0.326441829303E+03 -0.51031E-01 -0.24024E-01 5002 0.105E+00 0.211E+00 RMM: 3 -0.326410241917E+03 0.31587E-01 -0.26819E-02 5405 0.374E-01 0.425E-01 RMM: 4 -0.326408907414E+03 0.13345E-02 -0.29550E-03 5446 0.107E-01 0.120E-01 RMM: 5 -0.326408876054E+03 0.31359E-04 -0.34929E-04 3949 0.410E-02 0.114E-01 RMM: 6 -0.326408792255E+03 0.83799E-04 -0.71233E-05 3458 0.229E-02 0.514E-02 RMM: 7 -0.326408804574E+03 -0.12319E-04 -0.30331E-05 2757 0.159E-02 3726 T= 6466. E= 0.67516516E+03 F= 0.62986018E+03 E0= 0.65829848E+03 EK= 0.52654E+02 SP= -.74E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326431593241E+03 -0.22801E-01 -0.22884E-01 9000 0.237E+01 0.276E-01 RMM: 2 -0.326466773058E+03 -0.35180E-01 -0.22566E-01 5330 0.964E-01 0.143E+00 RMM: 3 -0.326450812079E+03 0.15961E-01 -0.19544E-02 5485 0.296E-01 0.271E-01 RMM: 4 -0.326450254230E+03 0.55785E-03 -0.18055E-03 5150 0.822E-02 0.114E-01 RMM: 5 -0.326450209692E+03 0.44537E-04 -0.21909E-04 3954 0.372E-02 0.105E-01 RMM: 6 -0.326450140983E+03 0.68709E-04 -0.55167E-05 3257 0.209E-02 0.482E-02 RMM: 7 -0.326450153129E+03 -0.12146E-04 -0.26432E-05 2576 0.160E-02 3727 T= 6487. E= 0.67516417E+03 F= 0.62981884E+03 E0= 0.65824961E+03 EK= 0.52829E+02 SP= -.75E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326547045725E+03 -0.96905E-01 -0.24613E-01 8928 0.237E+01 0.279E-01 RMM: 2 -0.326581417376E+03 -0.34372E-01 -0.24490E-01 5260 0.103E+00 0.131E+00 RMM: 3 -0.326567795830E+03 0.13622E-01 -0.20151E-02 5687 0.285E-01 0.257E-01 RMM: 4 -0.326567174489E+03 0.62134E-03 -0.15410E-03 4977 0.817E-02 0.111E-01 RMM: 5 -0.326567156742E+03 0.17748E-04 -0.22397E-04 3994 0.349E-02 0.112E-01 RMM: 6 -0.326567081966E+03 0.74775E-04 -0.56648E-05 3278 0.214E-02 0.494E-02 RMM: 7 -0.326567096610E+03 -0.14644E-04 -0.28621E-05 2649 0.161E-02 3728 T= 6518. E= 0.67516176E+03 F= 0.62970189E+03 E0= 0.65812611E+03 EK= 0.53079E+02 SP= -.77E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326717312523E+03 -0.15023E+00 -0.23840E-01 8976 0.238E+01 0.256E-01 RMM: 2 -0.326748668280E+03 -0.31356E-01 -0.22323E-01 5522 0.945E-01 0.123E+00 RMM: 3 -0.326735911678E+03 0.12757E-01 -0.14481E-02 5549 0.256E-01 0.231E-01 RMM: 4 -0.326735515774E+03 0.39590E-03 -0.13454E-03 4904 0.758E-02 0.120E-01 RMM: 5 -0.326735464576E+03 0.51198E-04 -0.18796E-04 3901 0.342E-02 0.101E-01 RMM: 6 -0.326735406704E+03 0.57872E-04 -0.50439E-05 3216 0.202E-02 0.489E-02 RMM: 7 -0.326735426668E+03 -0.19964E-04 -0.30730E-05 2714 0.164E-02 3729 T= 6555. E= 0.67515891E+03 F= 0.62953356E+03 E0= 0.65795151E+03 EK= 0.53380E+02 SP= -.78E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326904200948E+03 -0.16879E+00 -0.24436E-01 8984 0.239E+01 0.234E-01 RMM: 2 -0.326931746359E+03 -0.27545E-01 -0.22333E-01 5451 0.955E-01 0.995E-01 RMM: 3 -0.326923114506E+03 0.86319E-02 -0.15328E-02 5709 0.253E-01 0.195E-01 RMM: 4 -0.326922804248E+03 0.31026E-03 -0.11633E-03 5017 0.700E-02 0.126E-01 RMM: 5 -0.326922727915E+03 0.76332E-04 -0.16813E-04 3932 0.318E-02 0.999E-02 RMM: 6 -0.326922673044E+03 0.54871E-04 -0.49466E-05 3172 0.202E-02 0.509E-02 RMM: 7 -0.326922690919E+03 -0.17874E-04 -0.40739E-05 2940 0.185E-02 3730 T= 6594. E= 0.67515536E+03 F= 0.62934630E+03 E0= 0.65775590E+03 EK= 0.53699E+02 SP= -.79E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327082205148E+03 -0.15953E+00 -0.23579E-01 9104 0.240E+01 0.234E-01 RMM: 2 -0.327109725133E+03 -0.27520E-01 -0.20380E-01 5675 0.896E-01 0.112E+00 RMM: 3 -0.327099294869E+03 0.10430E-01 -0.12166E-02 5573 0.233E-01 0.214E-01 RMM: 4 -0.327098990760E+03 0.30411E-03 -0.11351E-03 4845 0.698E-02 0.128E-01 RMM: 5 -0.327098911183E+03 0.79576E-04 -0.16974E-04 3889 0.331E-02 0.919E-02 RMM: 6 -0.327098865423E+03 0.45760E-04 -0.49170E-05 3194 0.199E-02 0.551E-02 RMM: 7 -0.327098888765E+03 -0.23342E-04 -0.44582E-05 2982 0.190E-02 0.856E-02 RMM: 8 -0.327098844497E+03 0.44268E-04 -0.52034E-05 3152 0.193E-02 0.300E-02 RMM: 9 -0.327098844847E+03 -0.35060E-06 -0.18205E-05 2505 0.121E-02 3731 T= 6632. E= 0.67515328E+03 F= 0.62917014E+03 E0= 0.65756904E+03 EK= 0.54004E+02 SP= -.81E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327237496630E+03 -0.13865E+00 -0.23363E-01 9064 0.240E+01 0.198E-01 RMM: 2 -0.327260270362E+03 -0.22774E-01 -0.20037E-01 5762 0.884E-01 0.768E-01 RMM: 3 -0.327254412567E+03 0.58578E-02 -0.11692E-02 5955 0.209E-01 0.144E-01 RMM: 4 -0.327254264418E+03 0.14815E-03 -0.82745E-04 4766 0.639E-02 0.166E-01 RMM: 5 -0.327254082842E+03 0.18158E-03 -0.16551E-04 3877 0.328E-02 0.696E-02 RMM: 6 -0.327254060436E+03 0.22406E-04 -0.36046E-05 2998 0.177E-02 0.491E-02 RMM: 7 -0.327254067069E+03 -0.66334E-05 -0.35652E-05 2629 0.172E-02 3732 T= 6666. E= 0.67515363E+03 F= 0.62901492E+03 E0= 0.65739911E+03 EK= 0.54287E+02 SP= -.82E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327399207347E+03 -0.14515E+00 -0.22256E-01 9104 0.240E+01 0.224E-01 RMM: 2 -0.327423107010E+03 -0.23900E-01 -0.18448E-01 5732 0.865E-01 0.102E+00 RMM: 3 -0.327414600131E+03 0.85069E-02 -0.11233E-02 6063 0.213E-01 0.229E-01 RMM: 4 -0.327414173392E+03 0.42674E-03 -0.84729E-04 4763 0.622E-02 0.103E-01 RMM: 5 -0.327414113090E+03 0.60302E-04 -0.11914E-04 4031 0.256E-02 0.782E-02 RMM: 6 -0.327414095842E+03 0.17248E-04 -0.29840E-05 2730 0.162E-02 3733 T= 6701. E= 0.67515614E+03 F= 0.62885489E+03 E0= 0.65722036E+03 EK= 0.54570E+02 SP= -.83E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327629910873E+03 -0.21580E+00 -0.20891E-01 8968 0.240E+01 0.347E-01 RMM: 2 -0.327672147751E+03 -0.42237E-01 -0.18484E-01 5501 0.896E-01 0.195E+00 RMM: 3 -0.327644959640E+03 0.27188E-01 -0.17428E-02 5393 0.301E-01 0.338E-01 RMM: 4 -0.327644144985E+03 0.81465E-03 -0.20218E-03 4826 0.887E-02 0.121E-01 RMM: 5 -0.327644089805E+03 0.55180E-04 -0.22780E-04 4049 0.356E-02 0.103E-01 RMM: 6 -0.327644034684E+03 0.55121E-04 -0.43467E-05 3051 0.188E-02 0.696E-02 RMM: 7 -0.327644070450E+03 -0.35766E-04 -0.71302E-05 3534 0.233E-02 0.102E-01 RMM: 8 -0.327644018430E+03 0.52020E-04 -0.10329E-04 3874 0.230E-02 0.574E-02 RMM: 9 -0.327643998905E+03 0.19525E-04 -0.25115E-05 2648 0.143E-02 3734 T= 6744. E= 0.67516194E+03 F= 0.62862499E+03 E0= 0.65696818E+03 EK= 0.54920E+02 SP= -.84E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328029506138E+03 -0.38549E+00 -0.18494E-01 8912 0.240E+01 0.351E-01 RMM: 2 -0.328064575391E+03 -0.35069E-01 -0.17351E-01 5526 0.892E-01 0.173E+00 RMM: 3 -0.328043303530E+03 0.21272E-01 -0.16715E-02 5369 0.299E-01 0.356E-01 RMM: 4 -0.328042469934E+03 0.83360E-03 -0.21155E-03 4901 0.962E-02 0.125E-01 RMM: 5 -0.328042432753E+03 0.37181E-04 -0.28056E-04 4248 0.359E-02 0.128E-01 RMM: 6 -0.328042339216E+03 0.93537E-04 -0.63121E-05 3367 0.228E-02 0.484E-02 RMM: 7 -0.328042357691E+03 -0.18475E-04 -0.28590E-05 2663 0.154E-02 3735 T= 6807. E= 0.67516793E+03 F= 0.62822663E+03 E0= 0.65654454E+03 EK= 0.55429E+02 SP= -.85E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328690653076E+03 -0.64831E+00 -0.15795E-01 8816 0.240E+01 0.255E-01 RMM: 2 -0.328719062469E+03 -0.28409E-01 -0.15578E-01 5645 0.844E-01 0.144E+00 RMM: 3 -0.328703682440E+03 0.15380E-01 -0.12317E-02 5441 0.246E-01 0.247E-01 RMM: 4 -0.328703253676E+03 0.42876E-03 -0.12560E-03 4849 0.705E-02 0.107E-01 RMM: 5 -0.328703209453E+03 0.44223E-04 -0.13814E-04 4026 0.286E-02 0.860E-02 RMM: 6 -0.328703178963E+03 0.30490E-04 -0.26015E-05 2618 0.150E-02 0.651E-02 RMM: 7 -0.328703215147E+03 -0.36183E-04 -0.58392E-05 3323 0.205E-02 0.102E-01 RMM: 8 -0.328703155788E+03 0.59359E-04 -0.68271E-05 3630 0.216E-02 0.397E-02 RMM: 9 -0.328703149490E+03 0.62980E-05 -0.17763E-05 2535 0.123E-02 3736 T= 6900. E= 0.67517059E+03 F= 0.62756584E+03 E0= 0.65585527E+03 EK= 0.56187E+02 SP= -.86E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329658820872E+03 -0.95567E+00 -0.13321E-01 8440 0.242E+01 0.186E-01 RMM: 2 -0.329674329995E+03 -0.15509E-01 -0.13263E-01 5510 0.784E-01 0.720E-01 RMM: 3 -0.329669935693E+03 0.43943E-02 -0.99125E-03 5794 0.202E-01 0.165E-01 RMM: 4 -0.329669778495E+03 0.15720E-03 -0.76807E-04 4704 0.626E-02 0.151E-01 RMM: 5 -0.329669624085E+03 0.15441E-03 -0.14116E-04 3860 0.309E-02 0.676E-02 RMM: 6 -0.329669597634E+03 0.26451E-04 -0.27804E-05 2757 0.161E-02 0.422E-02 RMM: 7 -0.329669594567E+03 0.30674E-05 -0.21788E-05 2520 0.142E-02 3737 T= 7028. E= 0.67516669E+03 F= 0.62659939E+03 E0= 0.65485902E+03 EK= 0.57228E+02 SP= -.87E+01 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330887111401E+03 -0.12175E+01 -0.12214E-01 8264 0.245E+01 0.175E-01 RMM: 2 -0.330903617684E+03 -0.16506E-01 -0.12764E-01 5146 0.794E-01 0.853E-01 RMM: 3 -0.330897843064E+03 0.57746E-02 -0.11857E-02 5887 0.214E-01 0.182E-01 RMM: 4 -0.330897494099E+03 0.34897E-03 -0.68598E-04 4760 0.580E-02 0.835E-02 RMM: 5 -0.330897457230E+03 0.36869E-04 -0.93844E-05 3769 0.260E-02 0.705E-02 RMM: 6 -0.330897442081E+03 0.15149E-04 -0.22715E-05 2549 0.141E-02 3738 T= 7184. E= 0.67515687E+03 F= 0.62537155E+03 E0= 0.65360046E+03 EK= 0.58505E+02 SP= -.87E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332249314920E+03 -0.13519E+01 -0.11898E-01 8328 0.249E+01 0.237E-01 RMM: 2 -0.332270891537E+03 -0.21577E-01 -0.12768E-01 5103 0.813E-01 0.123E+00 RMM: 3 -0.332259953161E+03 0.10938E-01 -0.13184E-02 5593 0.244E-01 0.235E-01 RMM: 4 -0.332259537648E+03 0.41551E-03 -0.10845E-03 4741 0.696E-02 0.112E-01 RMM: 5 -0.332259466308E+03 0.71340E-04 -0.15098E-04 3887 0.331E-02 0.750E-02 RMM: 6 -0.332259443764E+03 0.22543E-04 -0.32603E-05 2723 0.168E-02 0.604E-02 RMM: 7 -0.332259450804E+03 -0.70397E-05 -0.40260E-05 2943 0.191E-02 3739 T= 7354. E= 0.67514414E+03 F= 0.62400954E+03 E0= 0.65220875E+03 EK= 0.59884E+02 SP= -.87E+01 SK= 0.25E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333574830012E+03 -0.13154E+01 -0.12768E-01 8336 0.254E+01 0.292E-01 RMM: 2 -0.333599006878E+03 -0.24177E-01 -0.15322E-01 5064 0.919E-01 0.129E+00 RMM: 3 -0.333587446720E+03 0.11560E-01 -0.17301E-02 5622 0.281E-01 0.307E-01 RMM: 4 -0.333586745423E+03 0.70130E-03 -0.15421E-03 4842 0.845E-02 0.128E-01 RMM: 5 -0.333586662151E+03 0.83272E-04 -0.23848E-04 3903 0.396E-02 0.102E-01 RMM: 6 -0.333586604354E+03 0.57797E-04 -0.51360E-05 3214 0.210E-02 0.503E-02 RMM: 7 -0.333586607524E+03 -0.31701E-05 -0.24982E-05 2560 0.150E-02 3740 T= 7514. E= 0.67513199E+03 F= 0.62268238E+03 E0= 0.65085401E+03 EK= 0.61193E+02 SP= -.87E+01 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334705433371E+03 -0.11188E+01 -0.13516E-01 8176 0.258E+01 0.232E-01 RMM: 2 -0.334728284389E+03 -0.22851E-01 -0.16635E-01 5104 0.920E-01 0.108E+00 RMM: 3 -0.334719547120E+03 0.87373E-02 -0.17148E-02 5829 0.258E-01 0.206E-01 RMM: 4 -0.334719128329E+03 0.41879E-03 -0.10387E-03 4858 0.689E-02 0.133E-01 RMM: 5 -0.334719014057E+03 0.11427E-03 -0.15107E-04 3899 0.338E-02 0.845E-02 RMM: 6 -0.334718991263E+03 0.22793E-04 -0.33866E-05 2725 0.171E-02 0.726E-02 RMM: 7 -0.334718978967E+03 0.12296E-04 -0.34971E-05 2651 0.172E-02 3741 T= 7646. E= 0.67512314E+03 F= 0.62155001E+03 E0= 0.64969599E+03 EK= 0.62265E+02 SP= -.87E+01 SK= 0.88E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335529327179E+03 -0.81034E+00 -0.14148E-01 8272 0.260E+01 0.201E-01 RMM: 2 -0.335548232444E+03 -0.18905E-01 -0.16061E-01 5070 0.900E-01 0.819E-01 RMM: 3 -0.335543103103E+03 0.51293E-02 -0.16490E-02 6074 0.239E-01 0.182E-01 RMM: 4 -0.335542678599E+03 0.42450E-03 -0.80332E-04 4758 0.647E-02 0.130E-01 RMM: 5 -0.335542561852E+03 0.11675E-03 -0.12688E-04 3835 0.312E-02 0.744E-02 RMM: 6 -0.335542546191E+03 0.15661E-04 -0.25904E-05 2563 0.148E-02 3742 T= 7734. E= 0.67511882E+03 F= 0.62072644E+03 E0= 0.64885102E+03 EK= 0.62980E+02 SP= -.86E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335984687585E+03 -0.44213E+00 -0.15240E-01 7904 0.262E+01 0.190E-01 RMM: 2 -0.336007828023E+03 -0.23140E-01 -0.18933E-01 4950 0.964E-01 0.903E-01 RMM: 3 -0.336001338281E+03 0.64897E-02 -0.20079E-02 6008 0.258E-01 0.189E-01 RMM: 4 -0.336000804431E+03 0.53385E-03 -0.89377E-04 4862 0.671E-02 0.113E-01 RMM: 5 -0.336000721857E+03 0.82574E-04 -0.11801E-04 3942 0.295E-02 0.806E-02 RMM: 6 -0.336000708607E+03 0.13250E-04 -0.26627E-05 2563 0.152E-02 3743 T= 7770. E= 0.67511778E+03 F= 0.62026828E+03 E0= 0.64837567E+03 EK= 0.63276E+02 SP= -.85E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336075872833E+03 -0.75151E-01 -0.15077E-01 7952 0.261E+01 0.319E-01 RMM: 2 -0.336115076488E+03 -0.39204E-01 -0.17298E-01 4870 0.957E-01 0.186E+00 RMM: 3 -0.336090030222E+03 0.25046E-01 -0.20918E-02 5449 0.323E-01 0.295E-01 RMM: 4 -0.336089364279E+03 0.66594E-03 -0.20815E-03 5180 0.906E-02 0.962E-02 RMM: 5 -0.336089320376E+03 0.43903E-04 -0.22244E-04 4559 0.314E-02 0.894E-02 RMM: 6 -0.336089281063E+03 0.39313E-04 -0.27849E-05 2627 0.159E-02 0.631E-02 RMM: 7 -0.336089295502E+03 -0.14439E-04 -0.36240E-05 2904 0.178E-02 3744 T= 7754. E= 0.67511972E+03 F= 0.62017969E+03 E0= 0.64827573E+03 EK= 0.63147E+02 SP= -.83E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335831269176E+03 0.25801E+00 -0.16405E-01 7776 0.261E+01 0.292E-01 RMM: 2 -0.335863161151E+03 -0.31892E-01 -0.20830E-01 4823 0.104E+00 0.137E+00 RMM: 3 -0.335848966297E+03 0.14195E-01 -0.23593E-02 5570 0.319E-01 0.303E-01 RMM: 4 -0.335848250537E+03 0.71576E-03 -0.19790E-03 5278 0.951E-02 0.135E-01 RMM: 5 -0.335848230891E+03 0.19646E-04 -0.27416E-04 3955 0.370E-02 0.132E-01 RMM: 6 -0.335848118931E+03 0.11196E-03 -0.71611E-05 3469 0.242E-02 0.384E-02 RMM: 7 -0.335848128686E+03 -0.97553E-05 -0.21776E-05 2564 0.133E-02 3745 T= 7692. E= 0.67512470E+03 F= 0.62042086E+03 E0= 0.64851094E+03 EK= 0.62635E+02 SP= -.81E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335333846117E+03 0.51427E+00 -0.15340E-01 7880 0.259E+01 0.215E-01 RMM: 2 -0.335357574675E+03 -0.23729E-01 -0.16939E-01 4907 0.927E-01 0.110E+00 RMM: 3 -0.335348380204E+03 0.91945E-02 -0.17634E-02 5922 0.262E-01 0.187E-01 RMM: 4 -0.335347953236E+03 0.42697E-03 -0.95969E-04 4792 0.690E-02 0.108E-01 RMM: 5 -0.335347879967E+03 0.73269E-04 -0.13157E-04 3896 0.313E-02 0.720E-02 RMM: 6 -0.335347852971E+03 0.26996E-04 -0.31207E-05 2677 0.166E-02 0.491E-02 RMM: 7 -0.335347855636E+03 -0.26655E-05 -0.32799E-05 2642 0.165E-02 3746 T= 7591. E= 0.67513113E+03 F= 0.62092113E+03 E0= 0.64901129E+03 EK= 0.61815E+02 SP= -.78E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334660171280E+03 0.68768E+00 -0.14824E-01 8016 0.256E+01 0.183E-01 RMM: 2 -0.334679087687E+03 -0.18916E-01 -0.16544E-01 4797 0.942E-01 0.745E-01 RMM: 3 -0.334674799663E+03 0.42880E-02 -0.18853E-02 6080 0.257E-01 0.121E-01 RMM: 4 -0.334674465068E+03 0.33459E-03 -0.78249E-04 4945 0.635E-02 0.128E-01 RMM: 5 -0.334674368079E+03 0.96989E-04 -0.11815E-04 3778 0.329E-02 0.635E-02 RMM: 6 -0.334674345609E+03 0.22470E-04 -0.28488E-05 2581 0.158E-02 0.413E-02 RMM: 7 -0.334674339911E+03 0.56978E-05 -0.32296E-05 2554 0.181E-02 3747 T= 7464. E= 0.67513725E+03 F= 0.62159465E+03 E0= 0.64969134E+03 EK= 0.60779E+02 SP= -.75E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333897856899E+03 0.77649E+00 -0.14926E-01 7664 0.254E+01 0.153E-01 RMM: 2 -0.333917850130E+03 -0.19993E-01 -0.19353E-01 4767 0.101E+00 0.524E-01 RMM: 3 -0.333915235923E+03 0.26142E-02 -0.20079E-02 6245 0.251E-01 0.114E-01 RMM: 4 -0.333914918593E+03 0.31733E-03 -0.91266E-04 4712 0.792E-02 0.136E-01 RMM: 5 -0.333914799291E+03 0.11930E-03 -0.12090E-04 3798 0.350E-02 0.556E-02 RMM: 6 -0.333914787335E+03 0.11957E-04 -0.26287E-05 2555 0.147E-02 3748 T= 7321. E= 0.67514330E+03 F= 0.62235420E+03 E0= 0.65046279E+03 EK= 0.59621E+02 SP= -.71E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333135464638E+03 0.77933E+00 -0.14771E-01 7832 0.251E+01 0.226E-01 RMM: 2 -0.333163505420E+03 -0.28041E-01 -0.18302E-01 4769 0.989E-01 0.127E+00 RMM: 3 -0.333151590189E+03 0.11915E-01 -0.21109E-02 5787 0.278E-01 0.190E-01 RMM: 4 -0.333151083497E+03 0.50669E-03 -0.11051E-03 4927 0.723E-02 0.927E-02 RMM: 5 -0.333151044466E+03 0.39031E-04 -0.14814E-04 4266 0.320E-02 0.714E-02 RMM: 6 -0.333151022448E+03 0.22018E-04 -0.27036E-05 2560 0.149E-02 0.566E-02 RMM: 7 -0.333151035818E+03 -0.13370E-04 -0.51978E-05 3228 0.207E-02 3749 T= 7175. E= 0.67514893E+03 F= 0.62311795E+03 E0= 0.65124243E+03 EK= 0.58431E+02 SP= -.67E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332442387437E+03 0.70864E+00 -0.14688E-01 7736 0.249E+01 0.229E-01 RMM: 2 -0.332464609856E+03 -0.22222E-01 -0.16810E-01 4749 0.960E-01 0.101E+00 RMM: 3 -0.332456965908E+03 0.76439E-02 -0.19513E-02 5773 0.270E-01 0.218E-01 RMM: 4 -0.332456467346E+03 0.49856E-03 -0.12056E-03 4924 0.789E-02 0.122E-01 RMM: 5 -0.332456406567E+03 0.60778E-04 -0.17578E-04 3929 0.315E-02 0.966E-02 RMM: 6 -0.332456346102E+03 0.60466E-04 -0.39894E-05 3030 0.189E-02 0.298E-02 RMM: 7 -0.332456348934E+03 -0.28324E-05 -0.16721E-05 2504 0.129E-02 3750 T= 7035. E= 0.67515414E+03 F= 0.62381264E+03 E0= 0.65195602E+03 EK= 0.57289E+02 SP= -.63E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331879759753E+03 0.57659E+00 -0.13252E-01 7744 0.247E+01 0.223E-01 RMM: 2 -0.331901940695E+03 -0.22181E-01 -0.14963E-01 4904 0.889E-01 0.114E+00 RMM: 3 -0.331892805023E+03 0.91357E-02 -0.17184E-02 5800 0.250E-01 0.200E-01 RMM: 4 -0.331892326003E+03 0.47902E-03 -0.97729E-04 4847 0.684E-02 0.964E-02 RMM: 5 -0.331892279254E+03 0.46750E-04 -0.13767E-04 3997 0.306E-02 0.774E-02 RMM: 6 -0.331892242911E+03 0.36343E-04 -0.29807E-05 2680 0.161E-02 0.483E-02 RMM: 7 -0.331892240211E+03 0.26994E-05 -0.30672E-05 2622 0.166E-02 3751 T= 6909. E= 0.67515835E+03 F= 0.62437675E+03 E0= 0.65253941E+03 EK= 0.56264E+02 SP= -.59E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331494370413E+03 0.39787E+00 -0.13466E-01 7776 0.245E+01 0.187E-01 RMM: 2 -0.331511196119E+03 -0.16826E-01 -0.13919E-01 4822 0.876E-01 0.788E-01 RMM: 3 -0.331506620571E+03 0.45755E-02 -0.16145E-02 5896 0.237E-01 0.162E-01 RMM: 4 -0.331506234047E+03 0.38652E-03 -0.77737E-04 4987 0.615E-02 0.865E-02 RMM: 5 -0.331506187790E+03 0.46257E-04 -0.10343E-04 3828 0.272E-02 0.628E-02 RMM: 6 -0.331506167750E+03 0.20040E-04 -0.24221E-05 2565 0.150E-02 0.375E-02 RMM: 7 -0.331506168916E+03 -0.11656E-05 -0.16955E-05 2501 0.128E-02 3752 T= 6804. E= 0.67516139E+03 F= 0.62476282E+03 E0= 0.65294336E+03 EK= 0.55407E+02 SP= -.54E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331320563317E+03 0.18560E+00 -0.12374E-01 7800 0.243E+01 0.189E-01 RMM: 2 -0.331335800045E+03 -0.15237E-01 -0.11959E-01 4903 0.813E-01 0.834E-01 RMM: 3 -0.331330892858E+03 0.49072E-02 -0.13491E-02 5909 0.219E-01 0.167E-01 RMM: 4 -0.331330548937E+03 0.34392E-03 -0.70308E-04 4728 0.614E-02 0.106E-01 RMM: 5 -0.331330485671E+03 0.63266E-04 -0.10723E-04 3680 0.281E-02 0.724E-02 RMM: 6 -0.331330455318E+03 0.30353E-04 -0.28183E-05 2667 0.162E-02 0.394E-02 RMM: 7 -0.331330452774E+03 0.25442E-05 -0.22994E-05 2518 0.146E-02 3753 T= 6724. E= 0.67516276E+03 F= 0.62493854E+03 E0= 0.65313481E+03 EK= 0.54753E+02 SP= -.50E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331366152375E+03 -0.35697E-01 -0.11866E-01 7624 0.242E+01 0.185E-01 RMM: 2 -0.331380636301E+03 -0.14484E-01 -0.11273E-01 4873 0.797E-01 0.818E-01 RMM: 3 -0.331375923738E+03 0.47126E-02 -0.12984E-02 5797 0.221E-01 0.166E-01 RMM: 4 -0.331375614906E+03 0.30883E-03 -0.69094E-04 4870 0.575E-02 0.820E-02 RMM: 5 -0.331375575411E+03 0.39495E-04 -0.95206E-05 3695 0.261E-02 0.673E-02 RMM: 6 -0.331375550896E+03 0.24515E-04 -0.25300E-05 2594 0.154E-02 0.379E-02 RMM: 7 -0.331375551924E+03 -0.10275E-05 -0.19523E-05 2507 0.137E-02 3754 T= 6670. E= 0.67516239E+03 F= 0.62489344E+03 E0= 0.65310192E+03 EK= 0.54314E+02 SP= -.45E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331620092236E+03 -0.24454E+00 -0.11508E-01 7792 0.241E+01 0.167E-01 RMM: 2 -0.331631501840E+03 -0.11410E-01 -0.94367E-02 4898 0.736E-01 0.694E-01 RMM: 3 -0.331628212717E+03 0.32891E-02 -0.10794E-02 5929 0.199E-01 0.129E-01 RMM: 4 -0.331628003240E+03 0.20948E-03 -0.53207E-04 4703 0.535E-02 0.104E-01 RMM: 5 -0.331627938358E+03 0.64882E-04 -0.81413E-05 3518 0.256E-02 0.636E-02 RMM: 6 -0.331627916956E+03 0.21402E-04 -0.23573E-05 2557 0.149E-02 0.358E-02 RMM: 7 -0.331627915266E+03 0.16904E-05 -0.19643E-05 2497 0.137E-02 3755 T= 6641. E= 0.67515995E+03 F= 0.62464107E+03 E0= 0.65285811E+03 EK= 0.54077E+02 SP= -.40E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332038639478E+03 -0.41072E+00 -0.11717E-01 7816 0.241E+01 0.159E-01 RMM: 2 -0.332050325540E+03 -0.11686E-01 -0.97308E-02 4874 0.751E-01 0.680E-01 RMM: 3 -0.332047117206E+03 0.32083E-02 -0.11156E-02 5940 0.199E-01 0.137E-01 RMM: 4 -0.332046871045E+03 0.24616E-03 -0.51709E-04 4657 0.533E-02 0.920E-02 RMM: 5 -0.332046814218E+03 0.56827E-04 -0.79532E-05 3509 0.259E-02 0.577E-02 RMM: 6 -0.332046796746E+03 0.17472E-04 -0.23582E-05 2558 0.149E-02 3756 T= 6631. E= 0.67515598E+03 F= 0.62422219E+03 E0= 0.65244413E+03 EK= 0.54000E+02 SP= -.35E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332558270838E+03 -0.51146E+00 -0.11782E-01 7712 0.242E+01 0.185E-01 RMM: 2 -0.332571545091E+03 -0.13274E-01 -0.90603E-02 4961 0.716E-01 0.892E-01 RMM: 3 -0.332565887820E+03 0.56573E-02 -0.10078E-02 5610 0.208E-01 0.158E-01 RMM: 4 -0.332565668471E+03 0.21935E-03 -0.65551E-04 4860 0.538E-02 0.791E-02 RMM: 5 -0.332565628791E+03 0.39680E-04 -0.80235E-05 3624 0.250E-02 0.611E-02 RMM: 6 -0.332565610897E+03 0.17894E-04 -0.22000E-05 2540 0.141E-02 3757 T= 6633. E= 0.67515070E+03 F= 0.62370338E+03 E0= 0.65192737E+03 EK= 0.54017E+02 SP= -.31E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333092537670E+03 -0.52691E+00 -0.11633E-01 7696 0.243E+01 0.246E-01 RMM: 2 -0.333112734002E+03 -0.20196E-01 -0.95487E-02 4966 0.749E-01 0.133E+00 RMM: 3 -0.333100382189E+03 0.12352E-01 -0.11848E-02 5450 0.244E-01 0.242E-01 RMM: 4 -0.333099938996E+03 0.44319E-03 -0.11523E-03 4685 0.712E-02 0.857E-02 RMM: 5 -0.333099909492E+03 0.29505E-04 -0.14145E-04 3968 0.297E-02 0.750E-02 RMM: 6 -0.333099872769E+03 0.36723E-04 -0.26102E-05 2584 0.155E-02 0.455E-02 RMM: 7 -0.333099876975E+03 -0.42060E-05 -0.26030E-05 2574 0.161E-02 3758 T= 6636. E= 0.67514465E+03 F= 0.62316911E+03 E0= 0.65139279E+03 EK= 0.54044E+02 SP= -.26E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333552347862E+03 -0.45248E+00 -0.11645E-01 7672 0.245E+01 0.213E-01 RMM: 2 -0.333568402489E+03 -0.16055E-01 -0.10143E-01 4839 0.759E-01 0.103E+00 RMM: 3 -0.333560886497E+03 0.75160E-02 -0.12059E-02 5607 0.227E-01 0.192E-01 RMM: 4 -0.333560615384E+03 0.27111E-03 -0.99048E-04 4705 0.702E-02 0.118E-01 RMM: 5 -0.333560576864E+03 0.38521E-04 -0.15095E-04 3847 0.313E-02 0.101E-01 RMM: 6 -0.333560508778E+03 0.68086E-04 -0.39501E-05 3018 0.193E-02 0.257E-02 RMM: 7 -0.333560511112E+03 -0.23340E-05 -0.17513E-05 2494 0.134E-02 3759 T= 6630. E= 0.67513910E+03 F= 0.62270848E+03 E0= 0.65093038E+03 EK= 0.53992E+02 SP= -.21E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333858079379E+03 -0.29757E+00 -0.12297E-01 7672 0.246E+01 0.174E-01 RMM: 2 -0.333874122896E+03 -0.16044E-01 -0.11698E-01 4815 0.804E-01 0.901E-01 RMM: 3 -0.333868247202E+03 0.58757E-02 -0.13383E-02 5909 0.215E-01 0.141E-01 RMM: 4 -0.333867945882E+03 0.30132E-03 -0.66726E-04 4699 0.610E-02 0.101E-01 RMM: 5 -0.333867877285E+03 0.68597E-04 -0.10243E-04 3687 0.284E-02 0.568E-02 RMM: 6 -0.333867860089E+03 0.17196E-04 -0.24366E-05 2550 0.146E-02 3760 T= 6605. E= 0.67513520E+03 F= 0.62240113E+03 E0= 0.65061948E+03 EK= 0.53784E+02 SP= -.16E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333959023869E+03 -0.91147E-01 -0.11287E-01 7608 0.246E+01 0.199E-01 RMM: 2 -0.333976034484E+03 -0.17011E-01 -0.98660E-02 4947 0.730E-01 0.110E+00 RMM: 3 -0.333967194393E+03 0.88401E-02 -0.10878E-02 5545 0.219E-01 0.167E-01 RMM: 4 -0.333966954028E+03 0.24037E-03 -0.77379E-04 4945 0.566E-02 0.780E-02 RMM: 5 -0.333966912851E+03 0.41176E-04 -0.87043E-05 3723 0.260E-02 0.632E-02 RMM: 6 -0.333966895941E+03 0.16910E-04 -0.22683E-05 2555 0.139E-02 3761 T= 6554. E= 0.67513351E+03 F= 0.62230209E+03 E0= 0.65051658E+03 EK= 0.53370E+02 SP= -.11E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333830706581E+03 0.13621E+00 -0.11520E-01 7776 0.246E+01 0.309E-01 RMM: 2 -0.333859899164E+03 -0.29193E-01 -0.99179E-02 5003 0.751E-01 0.175E+00 RMM: 3 -0.333838387267E+03 0.21512E-01 -0.13835E-02 5382 0.277E-01 0.300E-01 RMM: 4 -0.333837720651E+03 0.66662E-03 -0.16151E-03 4772 0.832E-02 0.919E-02 RMM: 5 -0.333837703157E+03 0.17494E-04 -0.18448E-04 3977 0.320E-02 3762 T= 6476. E= 0.67513523E+03 F= 0.62243129E+03 E0= 0.65064162E+03 EK= 0.52733E+02 SP= -.55E+00 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333493123894E+03 0.34460E+00 -0.11775E-01 7800 0.244E+01 0.251E-01 RMM: 2 -0.333515310655E+03 -0.22187E-01 -0.11190E-01 5035 0.770E-01 0.133E+00 RMM: 3 -0.333502643427E+03 0.12667E-01 -0.13421E-02 5433 0.254E-01 0.297E-01 RMM: 4 -0.333502023441E+03 0.61999E-03 -0.13080E-03 4837 0.737E-02 0.923E-02 RMM: 5 -0.333501974071E+03 0.49369E-04 -0.15110E-04 4111 0.288E-02 0.840E-02 RMM: 6 -0.333501938143E+03 0.35928E-04 -0.27051E-05 2587 0.154E-02 0.627E-02 RMM: 7 -0.333501959850E+03 -0.21707E-04 -0.58726E-05 3336 0.202E-02 0.102E-01 RMM: 8 -0.333501884930E+03 0.74920E-04 -0.14329E-04 3892 0.277E-02 0.353E-02 RMM: 9 -0.333501881494E+03 0.34365E-05 -0.19836E-05 2562 0.126E-02 3763 T= 6373. E= 0.67513970E+03 F= 0.62276711E+03 E0= 0.65097404E+03 EK= 0.51901E+02 SP= -.40E-01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333015224934E+03 0.48666E+00 -0.11597E-01 7472 0.242E+01 0.251E-01 RMM: 2 -0.333030733812E+03 -0.15509E-01 -0.11247E-01 4862 0.793E-01 0.963E-01 RMM: 3 -0.333024301758E+03 0.64321E-02 -0.13068E-02 5768 0.222E-01 0.177E-01 RMM: 4 -0.333024319191E+03 -0.17434E-04 -0.11221E-03 4730 0.793E-02 0.243E-01 RMM: 5 -0.333023963546E+03 0.35565E-03 -0.26054E-04 3898 0.415E-02 0.992E-02 RMM: 6 -0.333023901809E+03 0.61737E-04 -0.64184E-05 3381 0.238E-02 0.340E-02 RMM: 7 -0.333023913363E+03 -0.11554E-04 -0.21919E-05 2546 0.143E-02 3764 T= 6256. E= 0.67514622E+03 F= 0.62324508E+03 E0= 0.65145083E+03 EK= 0.50942E+02 SP= 0.46E+00 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332491888782E+03 0.53201E+00 -0.11460E-01 7784 0.239E+01 0.181E-01 RMM: 2 -0.332505204740E+03 -0.13316E-01 -0.10415E-01 4964 0.760E-01 0.787E-01 RMM: 3 -0.332500849787E+03 0.43550E-02 -0.11828E-02 5863 0.210E-01 0.178E-01 RMM: 4 -0.332500511391E+03 0.33840E-03 -0.63790E-04 4937 0.548E-02 0.803E-02 RMM: 5 -0.332500458522E+03 0.52869E-04 -0.77756E-05 3618 0.238E-02 0.643E-02 RMM: 6 -0.332500445269E+03 0.13253E-04 -0.21740E-05 2528 0.141E-02 3765 T= 6135. E= 0.67515370E+03 F= 0.62376854E+03 E0= 0.65197672E+03 EK= 0.49956E+02 SP= 0.95E+00 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332024864263E+03 0.47559E+00 -0.11754E-01 7576 0.236E+01 0.250E-01 RMM: 2 -0.332046757134E+03 -0.21893E-01 -0.11375E-01 4825 0.809E-01 0.132E+00 RMM: 3 -0.332034472294E+03 0.12285E-01 -0.14346E-02 5480 0.255E-01 0.228E-01 RMM: 4 -0.332034065938E+03 0.40636E-03 -0.12229E-03 4933 0.687E-02 0.890E-02 RMM: 5 -0.332034022317E+03 0.43621E-04 -0.13213E-04 4017 0.287E-02 0.800E-02 RMM: 6 -0.332033992935E+03 0.29382E-04 -0.30702E-05 2634 0.164E-02 0.633E-02 RMM: 7 -0.332034015156E+03 -0.22221E-04 -0.59028E-05 3384 0.215E-02 0.937E-02 RMM: 8 -0.332033961885E+03 0.53271E-04 -0.90112E-05 3884 0.211E-02 0.444E-02 RMM: 9 -0.332033950203E+03 0.11682E-04 -0.16587E-05 2532 0.119E-02 3766 T= 6023. E= 0.67515923E+03 F= 0.62423504E+03 E0= 0.65244899E+03 EK= 0.49047E+02 SP= 0.14E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331698200010E+03 0.33576E+00 -0.10464E-01 7584 0.234E+01 0.262E-01 RMM: 2 -0.331713620546E+03 -0.15421E-01 -0.81671E-02 4926 0.694E-01 0.115E+00 RMM: 3 -0.331704415510E+03 0.92050E-02 -0.10246E-02 5436 0.224E-01 0.223E-01 RMM: 4 -0.331704260944E+03 0.15457E-03 -0.12638E-03 4735 0.804E-02 0.189E-01 RMM: 5 -0.331704144904E+03 0.11604E-03 -0.24197E-04 3880 0.398E-02 0.147E-01 RMM: 6 -0.331704000407E+03 0.14450E-03 -0.82720E-05 3559 0.271E-02 0.320E-02 RMM: 7 -0.331704008304E+03 -0.78967E-05 -0.23374E-05 2578 0.146E-02 3767 T= 5931. E= 0.67516228E+03 F= 0.62456498E+03 E0= 0.65278982E+03 EK= 0.48297E+02 SP= 0.19E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331541648691E+03 0.16235E+00 -0.10718E-01 7600 0.231E+01 0.206E-01 RMM: 2 -0.331558946666E+03 -0.17298E-01 -0.95766E-02 4930 0.733E-01 0.114E+00 RMM: 3 -0.331549739396E+03 0.92073E-02 -0.11662E-02 5547 0.216E-01 0.169E-01 RMM: 4 -0.331549454861E+03 0.28453E-03 -0.82683E-04 4816 0.595E-02 0.761E-02 RMM: 5 -0.331549429799E+03 0.25062E-04 -0.10272E-04 3870 0.262E-02 0.695E-02 RMM: 6 -0.331549399682E+03 0.30117E-04 -0.22819E-05 2559 0.141E-02 0.361E-02 RMM: 7 -0.331549403546E+03 -0.38639E-05 -0.25062E-05 2565 0.152E-02 3768 T= 5863. E= 0.67516241E+03 F= 0.62471959E+03 E0= 0.65296047E+03 EK= 0.47745E+02 SP= 0.23E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331556327728E+03 -0.69280E-02 -0.10556E-01 7784 0.229E+01 0.160E-01 RMM: 2 -0.331566220564E+03 -0.98928E-02 -0.79144E-02 4850 0.671E-01 0.674E-01 RMM: 3 -0.331563098214E+03 0.31224E-02 -0.95802E-03 5909 0.186E-01 0.123E-01 RMM: 4 -0.331562916257E+03 0.18196E-03 -0.50716E-04 4677 0.511E-02 0.105E-01 RMM: 5 -0.331562845058E+03 0.71199E-04 -0.73837E-05 3479 0.241E-02 0.567E-02 RMM: 6 -0.331562829568E+03 0.15490E-04 -0.22014E-05 2541 0.143E-02 3769 T= 5819. E= 0.67515997E+03 F= 0.62470616E+03 E0= 0.65296679E+03 EK= 0.47383E+02 SP= 0.27E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331693029843E+03 -0.13018E+00 -0.11350E-01 7880 0.228E+01 0.197E-01 RMM: 2 -0.331710865821E+03 -0.17836E-01 -0.11451E-01 4898 0.778E-01 0.104E+00 RMM: 3 -0.331702947001E+03 0.79188E-02 -0.13546E-02 5704 0.224E-01 0.170E-01 RMM: 4 -0.331702610230E+03 0.33677E-03 -0.83865E-04 4904 0.602E-02 0.848E-02 RMM: 5 -0.331702566563E+03 0.43667E-04 -0.92827E-05 3843 0.250E-02 0.655E-02 RMM: 6 -0.331702552203E+03 0.14360E-04 -0.18327E-05 2525 0.125E-02 3770 T= 5793. E= 0.67515670E+03 F= 0.62456644E+03 E0= 0.65284946E+03 EK= 0.47173E+02 SP= 0.31E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331906754231E+03 -0.20419E+00 -0.10417E-01 8152 0.227E+01 0.286E-01 RMM: 2 -0.331931718040E+03 -0.24964E-01 -0.10040E-01 4905 0.746E-01 0.157E+00 RMM: 3 -0.331914861950E+03 0.16856E-01 -0.13808E-02 5431 0.267E-01 0.297E-01 RMM: 4 -0.331914210930E+03 0.65102E-03 -0.14182E-03 4781 0.757E-02 0.975E-02 RMM: 5 -0.331914167297E+03 0.43632E-04 -0.15071E-04 4011 0.299E-02 0.789E-02 RMM: 6 -0.331914141265E+03 0.26032E-04 -0.23938E-05 2563 0.142E-02 0.659E-02 RMM: 7 -0.331914150199E+03 -0.89345E-05 -0.28740E-05 2681 0.167E-02 3771 T= 5779. E= 0.67515323E+03 F= 0.62435484E+03 E0= 0.65266105E+03 EK= 0.47060E+02 SP= 0.35E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332139574304E+03 -0.22543E+00 -0.10366E-01 8288 0.227E+01 0.278E-01 RMM: 2 -0.332161418088E+03 -0.21844E-01 -0.10733E-01 4900 0.744E-01 0.136E+00 RMM: 3 -0.332148297620E+03 0.13120E-01 -0.14189E-02 5435 0.259E-01 0.251E-01 RMM: 4 -0.332147938475E+03 0.35914E-03 -0.15374E-03 4822 0.825E-02 0.146E-01 RMM: 5 -0.332147887304E+03 0.51171E-04 -0.22329E-04 3964 0.349E-02 0.129E-01 RMM: 6 -0.332147775511E+03 0.11179E-03 -0.61045E-05 3343 0.228E-02 0.322E-02 RMM: 7 -0.332147779608E+03 -0.40970E-05 -0.19764E-05 2540 0.137E-02 3772 T= 5771. E= 0.67515065E+03 F= 0.62412121E+03 E0= 0.65245075E+03 EK= 0.46994E+02 SP= 0.38E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332357498747E+03 -0.20972E+00 -0.11062E-01 7864 0.226E+01 0.230E-01 RMM: 2 -0.332379799792E+03 -0.22301E-01 -0.13484E-01 4850 0.837E-01 0.124E+00 RMM: 3 -0.332368946901E+03 0.10853E-01 -0.15700E-02 5653 0.249E-01 0.209E-01 RMM: 4 -0.332368495652E+03 0.45125E-03 -0.11016E-03 4999 0.671E-02 0.977E-02 RMM: 5 -0.332368433548E+03 0.62104E-04 -0.12970E-04 3891 0.293E-02 0.721E-02 RMM: 6 -0.332368405705E+03 0.27842E-04 -0.27923E-05 2654 0.154E-02 0.566E-02 RMM: 7 -0.332368399735E+03 0.59701E-05 -0.29879E-05 2625 0.162E-02 3773 T= 5764. E= 0.67514904E+03 F= 0.62390059E+03 E0= 0.65224828E+03 EK= 0.46942E+02 SP= 0.41E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332549998310E+03 -0.18159E+00 -0.10133E-01 8032 0.226E+01 0.173E-01 RMM: 2 -0.332563082362E+03 -0.13084E-01 -0.10038E-01 4995 0.707E-01 0.791E-01 RMM: 3 -0.332558481923E+03 0.46004E-02 -0.10741E-02 5919 0.196E-01 0.145E-01 RMM: 4 -0.332558222425E+03 0.25950E-03 -0.59074E-04 4689 0.531E-02 0.920E-02 RMM: 5 -0.332558167882E+03 0.54543E-04 -0.79448E-05 3592 0.238E-02 0.568E-02 RMM: 6 -0.332558153493E+03 0.14389E-04 -0.20947E-05 2546 0.138E-02 3774 T= 5757. E= 0.67514832E+03 F= 0.62371084E+03 E0= 0.65207311E+03 EK= 0.46885E+02 SP= 0.44E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332706850082E+03 -0.14868E+00 -0.10453E-01 7984 0.225E+01 0.221E-01 RMM: 2 -0.332725363976E+03 -0.18514E-01 -0.11000E-01 5038 0.739E-01 0.116E+00 RMM: 3 -0.332715910005E+03 0.94540E-02 -0.12133E-02 5671 0.224E-01 0.208E-01 RMM: 4 -0.332715515014E+03 0.39499E-03 -0.91096E-04 4785 0.625E-02 0.878E-02 RMM: 5 -0.332715470180E+03 0.44834E-04 -0.11642E-04 3854 0.265E-02 0.740E-02 RMM: 6 -0.332715438837E+03 0.31343E-04 -0.24980E-05 2614 0.150E-02 0.481E-02 RMM: 7 -0.332715441607E+03 -0.27695E-05 -0.28960E-05 2631 0.156E-02 3775 T= 5750. E= 0.67514799E+03 F= 0.62355355E+03 E0= 0.65192382E+03 EK= 0.46822E+02 SP= 0.47E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332842060620E+03 -0.12662E+00 -0.10618E-01 8152 0.224E+01 0.205E-01 RMM: 2 -0.332856649736E+03 -0.14589E-01 -0.97650E-02 5082 0.700E-01 0.955E-01 RMM: 3 -0.332850065713E+03 0.65840E-02 -0.10331E-02 5675 0.207E-01 0.198E-01 RMM: 4 -0.332849750458E+03 0.31525E-03 -0.80775E-04 4716 0.613E-02 0.995E-02 RMM: 5 -0.332849720900E+03 0.29558E-04 -0.11910E-04 3781 0.275E-02 0.867E-02 RMM: 6 -0.332849673963E+03 0.46937E-04 -0.30925E-05 2915 0.171E-02 0.331E-02 RMM: 7 -0.332849680374E+03 -0.64114E-05 -0.17794E-05 2506 0.129E-02 3776 T= 5742. E= 0.67514854E+03 F= 0.62341931E+03 E0= 0.65179318E+03 EK= 0.46762E+02 SP= 0.49E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332970807024E+03 -0.12113E+00 -0.10843E-01 8016 0.224E+01 0.209E-01 RMM: 2 -0.332988450650E+03 -0.17644E-01 -0.11092E-01 5084 0.745E-01 0.108E+00 RMM: 3 -0.332980113750E+03 0.83369E-02 -0.12066E-02 5666 0.218E-01 0.194E-01 RMM: 4 -0.332979745877E+03 0.36787E-03 -0.86074E-04 4789 0.623E-02 0.873E-02 RMM: 5 -0.332979708024E+03 0.37853E-04 -0.11607E-04 3879 0.261E-02 0.760E-02 RMM: 6 -0.332979673792E+03 0.34232E-04 -0.25510E-05 2645 0.155E-02 0.424E-02 RMM: 7 -0.332979675311E+03 -0.15193E-05 -0.18852E-05 2525 0.129E-02 3777 T= 5738. E= 0.67514897E+03 F= 0.62328931E+03 E0= 0.65166088E+03 EK= 0.46723E+02 SP= 0.51E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333116542650E+03 -0.13687E+00 -0.10310E-01 8072 0.224E+01 0.160E-01 RMM: 2 -0.333129127473E+03 -0.12585E-01 -0.97693E-02 5217 0.685E-01 0.755E-01 RMM: 3 -0.333124749871E+03 0.43776E-02 -0.92176E-03 5814 0.186E-01 0.137E-01 RMM: 4 -0.333124542978E+03 0.20689E-03 -0.53361E-04 4665 0.485E-02 0.842E-02 RMM: 5 -0.333124500332E+03 0.42646E-04 -0.62809E-05 3393 0.223E-02 0.591E-02 RMM: 6 -0.333124487004E+03 0.13328E-04 -0.21828E-05 2538 0.143E-02 3778 T= 5738. E= 0.67514970E+03 F= 0.62314450E+03 E0= 0.65151061E+03 EK= 0.46725E+02 SP= 0.52E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333292469672E+03 -0.16797E+00 -0.99538E-02 8040 0.224E+01 0.195E-01 RMM: 2 -0.333306956213E+03 -0.14487E-01 -0.92524E-02 5160 0.678E-01 0.972E-01 RMM: 3 -0.333300082847E+03 0.68734E-02 -0.93873E-03 5622 0.201E-01 0.190E-01 RMM: 4 -0.333299794994E+03 0.28785E-03 -0.75056E-04 4787 0.563E-02 0.856E-02 RMM: 5 -0.333299753125E+03 0.41869E-04 -0.84893E-05 3735 0.231E-02 0.665E-02 RMM: 6 -0.333299734965E+03 0.18160E-04 -0.19998E-05 2556 0.135E-02 3779 T= 5745. E= 0.67514994E+03 F= 0.62296925E+03 E0= 0.65132691E+03 EK= 0.46784E+02 SP= 0.54E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333503308667E+03 -0.20356E+00 -0.10008E-01 7992 0.225E+01 0.299E-01 RMM: 2 -0.333532996555E+03 -0.29688E-01 -0.89882E-02 5094 0.711E-01 0.181E+00 RMM: 3 -0.333510092229E+03 0.22904E-01 -0.13093E-02 5387 0.272E-01 0.271E-01 RMM: 4 -0.333509551125E+03 0.54110E-03 -0.14567E-03 4832 0.750E-02 0.794E-02 RMM: 5 -0.333509524752E+03 0.26374E-04 -0.13814E-04 4133 0.276E-02 0.819E-02 RMM: 6 -0.333509491258E+03 0.33494E-04 -0.23695E-05 2576 0.147E-02 0.540E-02 RMM: 7 -0.333509512312E+03 -0.21054E-04 -0.37761E-05 2959 0.182E-02 0.830E-02 RMM: 8 -0.333509470598E+03 0.41714E-04 -0.71743E-05 3607 0.193E-02 0.378E-02 RMM: 9 -0.333509464024E+03 0.65736E-05 -0.14591E-05 2502 0.113E-02 3780 T= 5759. E= 0.67514908E+03 F= 0.62275953E+03 E0= 0.65110790E+03 EK= 0.46900E+02 SP= 0.55E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333736864558E+03 -0.22739E+00 -0.96973E-02 7720 0.226E+01 0.226E-01 RMM: 2 -0.333753103820E+03 -0.16239E-01 -0.80479E-02 5041 0.644E-01 0.116E+00 RMM: 3 -0.333743036147E+03 0.10068E-01 -0.88063E-03 5413 0.210E-01 0.187E-01 RMM: 4 -0.333742995233E+03 0.40914E-04 -0.11567E-03 4670 0.757E-02 0.180E-01 RMM: 5 -0.333742838773E+03 0.15646E-03 -0.20312E-04 3890 0.350E-02 0.116E-01 RMM: 6 -0.333742749929E+03 0.88844E-04 -0.54477E-05 3272 0.224E-02 0.303E-02 RMM: 7 -0.333742762617E+03 -0.12688E-04 -0.23327E-05 2558 0.147E-02 3781 T= 5780. E= 0.67514769E+03 F= 0.62252623E+03 E0= 0.65086583E+03 EK= 0.47065E+02 SP= 0.55E+01 SK= 0.77E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333974555300E+03 -0.23181E+00 -0.99382E-02 7968 0.226E+01 0.191E-01 RMM: 2 -0.333987954469E+03 -0.13399E-01 -0.78941E-02 5075 0.666E-01 0.992E-01 RMM: 3 -0.333981090074E+03 0.68644E-02 -0.88464E-03 5689 0.193E-01 0.186E-01 RMM: 4 -0.333980791330E+03 0.29874E-03 -0.64115E-04 4698 0.548E-02 0.718E-02 RMM: 5 -0.333980758244E+03 0.33086E-04 -0.78732E-05 3773 0.221E-02 0.636E-02 RMM: 6 -0.333980737629E+03 0.20615E-04 -0.18374E-05 2533 0.130E-02 0.420E-02 RMM: 7 -0.333980738441E+03 -0.81242E-06 -0.27842E-05 2616 0.155E-02 3782 T= 5803. E= 0.67514635E+03 F= 0.62228825E+03 E0= 0.65062068E+03 EK= 0.47259E+02 SP= 0.56E+01 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334198087760E+03 -0.21735E+00 -0.10175E-01 7832 0.227E+01 0.161E-01 RMM: 2 -0.334208533740E+03 -0.10446E-01 -0.84389E-02 4993 0.675E-01 0.674E-01 RMM: 3 -0.334205234324E+03 0.32994E-02 -0.93649E-03 5957 0.183E-01 0.112E-01 RMM: 4 -0.334205073720E+03 0.16060E-03 -0.47929E-04 4564 0.499E-02 0.116E-01 RMM: 5 -0.334204982796E+03 0.90924E-04 -0.73599E-05 3472 0.250E-02 0.552E-02 RMM: 6 -0.334204968793E+03 0.14002E-04 -0.20780E-05 2534 0.135E-02 3783 T= 5828. E= 0.67514569E+03 F= 0.62206402E+03 E0= 0.65039259E+03 EK= 0.47463E+02 SP= 0.56E+01 SK= 0.15E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334397974843E+03 -0.19299E+00 -0.10361E-01 7896 0.228E+01 0.239E-01 RMM: 2 -0.334418532782E+03 -0.20558E-01 -0.98031E-02 4920 0.742E-01 0.134E+00 RMM: 3 -0.334406142446E+03 0.12390E-01 -0.12522E-02 5550 0.241E-01 0.209E-01 RMM: 4 -0.334405790685E+03 0.35176E-03 -0.10538E-03 4960 0.632E-02 0.873E-02 RMM: 5 -0.334405737121E+03 0.53564E-04 -0.10011E-04 3894 0.264E-02 0.705E-02 RMM: 6 -0.334405715721E+03 0.21400E-04 -0.21284E-05 2545 0.135E-02 0.574E-02 RMM: 7 -0.334405715986E+03 -0.26573E-06 -0.30902E-05 2685 0.165E-02 3784 T= 5854. E= 0.67514578E+03 F= 0.62186327E+03 E0= 0.65019035E+03 EK= 0.47668E+02 SP= 0.56E+01 SK= 0.55E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334575643247E+03 -0.16993E+00 -0.10354E-01 7832 0.229E+01 0.191E-01 RMM: 2 -0.334588046701E+03 -0.12403E-01 -0.86864E-02 4938 0.689E-01 0.852E-01 RMM: 3 -0.334582905627E+03 0.51411E-02 -0.10154E-02 5706 0.207E-01 0.185E-01 RMM: 4 -0.334582665848E+03 0.23978E-03 -0.78159E-04 4677 0.616E-02 0.116E-01 RMM: 5 -0.334582594560E+03 0.71288E-04 -0.11425E-04 3768 0.276E-02 0.786E-02 RMM: 6 -0.334582558720E+03 0.35840E-04 -0.25003E-05 2602 0.154E-02 0.353E-02 RMM: 7 -0.334582563201E+03 -0.44809E-05 -0.17712E-05 2511 0.133E-02 3785 T= 5878. E= 0.67514569E+03 F= 0.62168643E+03 E0= 0.65001487E+03 EK= 0.47871E+02 SP= 0.56E+01 SK= 0.34E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334724936510E+03 -0.14238E+00 -0.10658E-01 7848 0.229E+01 0.192E-01 RMM: 2 -0.334740164971E+03 -0.15228E-01 -0.99322E-02 4854 0.744E-01 0.983E-01 RMM: 3 -0.334733406850E+03 0.67581E-02 -0.11750E-02 5810 0.215E-01 0.161E-01 RMM: 4 -0.334733127527E+03 0.27932E-03 -0.69759E-04 4755 0.578E-02 0.991E-02 RMM: 5 -0.334733063629E+03 0.63898E-04 -0.93230E-05 3728 0.259E-02 0.674E-02 RMM: 6 -0.334733041907E+03 0.21723E-04 -0.23600E-05 2562 0.146E-02 0.485E-02 RMM: 7 -0.334733037143E+03 0.47636E-05 -0.19928E-05 2529 0.135E-02 3786 T= 5903. E= 0.67514499E+03 F= 0.62153595E+03 E0= 0.64986667E+03 EK= 0.48068E+02 SP= 0.55E+01 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334835597918E+03 -0.10256E+00 -0.10933E-01 8048 0.230E+01 0.135E-01 RMM: 2 -0.334845024810E+03 -0.94269E-02 -0.82564E-02 4850 0.688E-01 0.563E-01 RMM: 3 -0.334842816104E+03 0.22087E-02 -0.95984E-03 6025 0.186E-01 0.105E-01 RMM: 4 -0.334842640355E+03 0.17575E-03 -0.41552E-04 4741 0.468E-02 0.886E-02 RMM: 5 -0.334842586116E+03 0.54239E-04 -0.52159E-05 3148 0.231E-02 0.498E-02 RMM: 6 -0.334842578399E+03 0.77171E-05 -0.19311E-05 2510 0.132E-02 3787 T= 5924. E= 0.67514315E+03 F= 0.62142641E+03 E0= 0.64976025E+03 EK= 0.48245E+02 SP= 0.55E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334873601110E+03 -0.31015E-01 -0.11084E-01 7776 0.232E+01 0.164E-01 RMM: 2 -0.334886073834E+03 -0.12473E-01 -0.87729E-02 4916 0.698E-01 0.837E-01 RMM: 3 -0.334881113207E+03 0.49606E-02 -0.10064E-02 5845 0.194E-01 0.123E-01 RMM: 4 -0.334880913629E+03 0.19958E-03 -0.52445E-04 4707 0.506E-02 0.895E-02 RMM: 5 -0.334880859381E+03 0.54248E-04 -0.67411E-05 3485 0.238E-02 0.546E-02 RMM: 6 -0.334880848661E+03 0.10720E-04 -0.18949E-05 2518 0.127E-02 3788 T= 5940. E= 0.67514101E+03 F= 0.62138814E+03 E0= 0.64972482E+03 EK= 0.48370E+02 SP= 0.54E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334805429515E+03 0.75430E-01 -0.11148E-01 7816 0.233E+01 0.211E-01 RMM: 2 -0.334821143903E+03 -0.15714E-01 -0.92665E-02 4880 0.735E-01 0.108E+00 RMM: 3 -0.334813251050E+03 0.78929E-02 -0.11522E-02 5631 0.226E-01 0.196E-01 RMM: 4 -0.334812903097E+03 0.34795E-03 -0.85017E-04 4843 0.604E-02 0.802E-02 RMM: 5 -0.334812869617E+03 0.33480E-04 -0.99434E-05 3759 0.269E-02 0.676E-02 RMM: 6 -0.334812846767E+03 0.22850E-04 -0.22039E-05 2544 0.138E-02 0.486E-02 RMM: 7 -0.334812847417E+03 -0.64944E-06 -0.20439E-05 2527 0.143E-02 3789 T= 5945. E= 0.67513910E+03 F= 0.62145614E+03 E0= 0.64979521E+03 EK= 0.48409E+02 SP= 0.52E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334603144638E+03 0.20970E+00 -0.11110E-01 7760 0.234E+01 0.233E-01 RMM: 2 -0.334620322729E+03 -0.17178E-01 -0.10708E-01 4770 0.790E-01 0.108E+00 RMM: 3 -0.334612202780E+03 0.81199E-02 -0.13661E-02 5638 0.242E-01 0.218E-01 RMM: 4 -0.334611804463E+03 0.39832E-03 -0.10576E-03 4753 0.703E-02 0.102E-01 RMM: 5 -0.334611790390E+03 0.14072E-04 -0.15493E-04 3876 0.313E-02 3790 T= 5936. E= 0.67513944E+03 F= 0.62165720E+03 E0= 0.64999674E+03 EK= 0.48336E+02 SP= 0.51E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334263296234E+03 0.34851E+00 -0.11706E-01 7704 0.234E+01 0.140E-01 RMM: 2 -0.334276289813E+03 -0.12994E-01 -0.10471E-01 4936 0.741E-01 0.715E-01 RMM: 3 -0.334272453823E+03 0.38360E-02 -0.11383E-02 5986 0.200E-01 0.136E-01 RMM: 4 -0.334272188800E+03 0.26502E-03 -0.46859E-04 4742 0.486E-02 0.850E-02 RMM: 5 -0.334272138585E+03 0.50215E-04 -0.57646E-05 3202 0.231E-02 0.649E-02 RMM: 6 -0.334272131480E+03 0.71045E-05 -0.27280E-05 2569 0.156E-02 3791 T= 5912. E= 0.67514189E+03 F= 0.62199686E+03 E0= 0.65033575E+03 EK= 0.48147E+02 SP= 0.49E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333807796753E+03 0.46434E+00 -0.12183E-01 7672 0.234E+01 0.273E-01 RMM: 2 -0.333835570577E+03 -0.27774E-01 -0.11920E-01 4715 0.823E-01 0.160E+00 RMM: 3 -0.333817430160E+03 0.18140E-01 -0.15700E-02 5467 0.279E-01 0.203E-01 RMM: 4 -0.333817136863E+03 0.29330E-03 -0.15131E-03 5279 0.718E-02 0.870E-02 RMM: 5 -0.333817098927E+03 0.37936E-04 -0.13528E-04 3901 0.291E-02 0.799E-02 RMM: 6 -0.333817059035E+03 0.39892E-04 -0.27680E-05 2697 0.157E-02 0.342E-02 RMM: 7 -0.333817059509E+03 -0.47398E-06 -0.12802E-05 2489 0.119E-02 3792 T= 5877. E= 0.67514566E+03 F= 0.62245193E+03 E0= 0.65078803E+03 EK= 0.47863E+02 SP= 0.48E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333287169214E+03 0.52989E+00 -0.11640E-01 7688 0.232E+01 0.282E-01 RMM: 2 -0.333313975181E+03 -0.26806E-01 -0.11225E-01 4819 0.802E-01 0.159E+00 RMM: 3 -0.333296266976E+03 0.17708E-01 -0.15173E-02 5459 0.276E-01 0.252E-01 RMM: 4 -0.333295833624E+03 0.43335E-03 -0.15017E-03 4814 0.795E-02 0.111E-01 RMM: 5 -0.333295818304E+03 0.15320E-04 -0.19450E-04 3884 0.343E-02 3793 T= 5837. E= 0.67515093E+03 F= 0.62297317E+03 E0= 0.65130245E+03 EK= 0.47534E+02 SP= 0.45E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332762333275E+03 0.53350E+00 -0.11526E-01 7664 0.230E+01 0.174E-01 RMM: 2 -0.332777650685E+03 -0.15317E-01 -0.99732E-02 4938 0.731E-01 0.971E-01 RMM: 3 -0.332770906632E+03 0.67441E-02 -0.11261E-02 5676 0.211E-01 0.159E-01 RMM: 4 -0.332770646685E+03 0.25995E-03 -0.66152E-04 5043 0.524E-02 0.828E-02 RMM: 5 -0.332770593867E+03 0.52817E-04 -0.74307E-05 3499 0.246E-02 0.666E-02 RMM: 6 -0.332770579067E+03 0.14800E-04 -0.29163E-05 2578 0.160E-02 3794 T= 5799. E= 0.67515606E+03 F= 0.62349841E+03 E0= 0.65181883E+03 EK= 0.47223E+02 SP= 0.43E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332295409345E+03 0.47518E+00 -0.11891E-01 7592 0.229E+01 0.288E-01 RMM: 2 -0.332322623966E+03 -0.27215E-01 -0.11100E-01 4713 0.796E-01 0.161E+00 RMM: 3 -0.332304266528E+03 0.18357E-01 -0.15679E-02 5398 0.286E-01 0.221E-01 RMM: 4 -0.332303936287E+03 0.33024E-03 -0.15954E-03 5043 0.750E-02 0.939E-02 RMM: 5 -0.332303915058E+03 0.21229E-04 -0.16137E-04 3910 0.315E-02 0.957E-02 RMM: 6 -0.332303856045E+03 0.59013E-04 -0.38223E-05 2993 0.187E-02 0.343E-02 RMM: 7 -0.332303856326E+03 -0.28169E-06 -0.13892E-05 2498 0.121E-02 3795 T= 5771. E= 0.67515993E+03 F= 0.62396513E+03 E0= 0.65227240E+03 EK= 0.46992E+02 SP= 0.41E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331942222987E+03 0.36163E+00 -0.11550E-01 7896 0.227E+01 0.357E-01 RMM: 2 -0.331976782062E+03 -0.34559E-01 -0.10274E-01 4949 0.782E-01 0.197E+00 RMM: 3 -0.331949873260E+03 0.26909E-01 -0.16713E-02 5377 0.310E-01 0.315E-01 RMM: 4 -0.331949163604E+03 0.70966E-03 -0.18646E-03 4852 0.873E-02 0.115E-01 RMM: 5 -0.331949173550E+03 -0.99462E-05 -0.24457E-04 3900 0.389E-02 0.125E-01 RMM: 6 -0.331949058128E+03 0.11542E-03 -0.65437E-05 3405 0.235E-02 0.360E-02 RMM: 7 -0.331949053599E+03 0.45297E-05 -0.16673E-05 2518 0.125E-02 3796 T= 5759. E= 0.67516282E+03 F= 0.62431994E+03 E0= 0.65261109E+03 EK= 0.46896E+02 SP= 0.38E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331733846681E+03 0.21521E+00 -0.11034E-01 7848 0.225E+01 0.191E-01 RMM: 2 -0.331750603166E+03 -0.16756E-01 -0.98907E-02 4928 0.727E-01 0.108E+00 RMM: 3 -0.331742288336E+03 0.83148E-02 -0.11197E-02 5535 0.217E-01 0.192E-01 RMM: 4 -0.331741986163E+03 0.30217E-03 -0.85598E-04 4782 0.613E-02 0.798E-02 RMM: 5 -0.331741966310E+03 0.19853E-04 -0.11804E-04 3874 0.273E-02 3797 T= 5768. E= 0.67516425E+03 F= 0.62452702E+03 E0= 0.65279989E+03 EK= 0.46971E+02 SP= 0.34E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331688843135E+03 0.53143E-01 -0.10920E-01 7832 0.223E+01 0.154E-01 RMM: 2 -0.331703590885E+03 -0.14748E-01 -0.11096E-01 4950 0.767E-01 0.819E-01 RMM: 3 -0.331698613295E+03 0.49776E-02 -0.12002E-02 5856 0.202E-01 0.157E-01 RMM: 4 -0.331698291680E+03 0.32161E-03 -0.55178E-04 4602 0.532E-02 0.775E-02 RMM: 5 -0.331698257754E+03 0.33926E-04 -0.70718E-05 3490 0.232E-02 0.665E-02 RMM: 6 -0.331698247917E+03 0.98368E-05 -0.25201E-05 2537 0.152E-02 3798 T= 5800. E= 0.67516463E+03 F= 0.62457074E+03 E0= 0.65282547E+03 EK= 0.47235E+02 SP= 0.31E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331815846293E+03 -0.11759E+00 -0.10206E-01 7616 0.222E+01 0.300E-01 RMM: 2 -0.331842487702E+03 -0.26641E-01 -0.94570E-02 5002 0.722E-01 0.167E+00 RMM: 3 -0.331823092611E+03 0.19395E-01 -0.13278E-02 5408 0.269E-01 0.278E-01 RMM: 4 -0.331822577041E+03 0.51557E-03 -0.14519E-03 4769 0.761E-02 0.977E-02 RMM: 5 -0.331822579180E+03 -0.21388E-05 -0.18810E-04 3902 0.339E-02 3799 T= 5857. E= 0.67516471E+03 F= 0.62444641E+03 E0= 0.65268528E+03 EK= 0.47692E+02 SP= 0.27E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332104029477E+03 -0.28145E+00 -0.10226E-01 7600 0.222E+01 0.299E-01 RMM: 2 -0.332136112641E+03 -0.32083E-01 -0.11745E-01 5109 0.795E-01 0.181E+00 RMM: 3 -0.332113224781E+03 0.22888E-01 -0.14922E-02 5428 0.279E-01 0.262E-01 RMM: 4 -0.332112735163E+03 0.48962E-03 -0.15681E-03 4792 0.790E-02 0.108E-01 RMM: 5 -0.332112693245E+03 0.41918E-04 -0.19364E-04 3919 0.337E-02 0.102E-01 RMM: 6 -0.332112627576E+03 0.65669E-04 -0.48786E-05 3144 0.205E-02 0.457E-02 RMM: 7 -0.332112634527E+03 -0.69507E-05 -0.27575E-05 2618 0.153E-02 3800 T= 5936. E= 0.67516488E+03 F= 0.62415635E+03 E0= 0.65238425E+03 EK= 0.48342E+02 SP= 0.23E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332556620030E+03 -0.44399E+00 -0.10084E-01 8048 0.222E+01 0.263E-01 RMM: 2 -0.332577958590E+03 -0.21339E-01 -0.10036E-01 5057 0.743E-01 0.138E+00 RMM: 3 -0.332564548467E+03 0.13410E-01 -0.11809E-02 5512 0.235E-01 0.218E-01 RMM: 4 -0.332564219656E+03 0.32881E-03 -0.11212E-03 4701 0.697E-02 0.108E-01 RMM: 5 -0.332564182514E+03 0.37143E-04 -0.15486E-04 3912 0.297E-02 0.877E-02 RMM: 6 -0.332564131847E+03 0.50667E-04 -0.36280E-05 3014 0.180E-02 0.240E-02 RMM: 7 -0.332564134050E+03 -0.22034E-05 -0.11677E-05 2491 0.107E-02 3801 T= 6039. E= 0.67516467E+03 F= 0.62370486E+03 E0= 0.65192702E+03 EK= 0.49178E+02 SP= 0.19E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333164896098E+03 -0.60076E+00 -0.98674E-02 8208 0.222E+01 0.198E-01 RMM: 2 -0.333178649967E+03 -0.13754E-01 -0.98683E-02 5226 0.738E-01 0.904E-01 RMM: 3 -0.333172988931E+03 0.56610E-02 -0.10286E-02 5856 0.199E-01 0.170E-01 RMM: 4 -0.333172729485E+03 0.25945E-03 -0.67037E-04 4730 0.565E-02 0.106E-01 RMM: 5 -0.333172640943E+03 0.88542E-04 -0.10229E-04 3801 0.244E-02 0.651E-02 RMM: 6 -0.333172620712E+03 0.20231E-04 -0.21479E-05 2550 0.139E-02 0.424E-02 RMM: 7 -0.333172613709E+03 0.70032E-05 -0.20419E-05 2517 0.134E-02 3802 T= 6164. E= 0.67516306E+03 F= 0.62309638E+03 E0= 0.65131894E+03 EK= 0.50194E+02 SP= 0.15E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333915480954E+03 -0.74286E+00 -0.97031E-02 8504 0.224E+01 0.162E-01 RMM: 2 -0.333926096285E+03 -0.10615E-01 -0.88300E-02 5277 0.682E-01 0.669E-01 RMM: 3 -0.333922747200E+03 0.33491E-02 -0.81310E-03 6028 0.171E-01 0.143E-01 RMM: 4 -0.333922521258E+03 0.22594E-03 -0.44810E-04 4389 0.483E-02 0.941E-02 RMM: 5 -0.333922467056E+03 0.54202E-04 -0.71612E-05 3472 0.238E-02 0.577E-02 RMM: 6 -0.333922453387E+03 0.13669E-04 -0.21490E-05 2549 0.140E-02 3803 T= 6308. E= 0.67516033E+03 F= 0.62234654E+03 E0= 0.65057411E+03 EK= 0.51371E+02 SP= 0.10E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334774939953E+03 -0.85247E+00 -0.99727E-02 8496 0.226E+01 0.202E-01 RMM: 2 -0.334789230942E+03 -0.14291E-01 -0.10010E-01 5188 0.732E-01 0.934E-01 RMM: 3 -0.334783037324E+03 0.61936E-02 -0.99175E-03 5832 0.202E-01 0.159E-01 RMM: 4 -0.334782814260E+03 0.22306E-03 -0.68241E-04 4797 0.555E-02 0.105E-01 RMM: 5 -0.334782743774E+03 0.70485E-04 -0.95961E-05 3729 0.257E-02 0.615E-02 RMM: 6 -0.334782724987E+03 0.18787E-04 -0.21147E-05 2550 0.137E-02 3804 T= 6468. E= 0.67515575E+03 F= 0.62148626E+03 E0= 0.64972225E+03 EK= 0.52675E+02 SP= 0.58E+00 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335693524248E+03 -0.91078E+00 -0.10216E-01 8320 0.230E+01 0.264E-01 RMM: 2 -0.335716383744E+03 -0.22859E-01 -0.10459E-01 5119 0.771E-01 0.143E+00 RMM: 3 -0.335701851372E+03 0.14532E-01 -0.12252E-02 5492 0.249E-01 0.241E-01 RMM: 4 -0.335701399502E+03 0.45187E-03 -0.11768E-03 4714 0.722E-02 0.898E-02 RMM: 5 -0.335701364306E+03 0.35196E-04 -0.14521E-04 3916 0.304E-02 0.819E-02 RMM: 6 -0.335701325444E+03 0.38861E-04 -0.29816E-05 2677 0.166E-02 0.497E-02 RMM: 7 -0.335701331901E+03 -0.64567E-05 -0.29251E-05 2585 0.165E-02 3805 T= 6637. E= 0.67515065E+03 F= 0.62056766E+03 E0= 0.64881367E+03 EK= 0.54049E+02 SP= 0.12E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336605796001E+03 -0.90447E+00 -0.10512E-01 7952 0.234E+01 0.209E-01 RMM: 2 -0.336622300156E+03 -0.16504E-01 -0.11304E-01 4914 0.795E-01 0.984E-01 RMM: 3 -0.336615291745E+03 0.70084E-02 -0.12628E-02 5628 0.237E-01 0.208E-01 RMM: 4 -0.336614974671E+03 0.31707E-03 -0.94890E-04 4738 0.675E-02 0.107E-01 RMM: 5 -0.336614928989E+03 0.45682E-04 -0.14272E-04 3863 0.316E-02 0.867E-02 RMM: 6 -0.336614880769E+03 0.48220E-04 -0.32623E-05 2870 0.173E-02 0.340E-02 RMM: 7 -0.336614883855E+03 -0.30862E-05 -0.20084E-05 2511 0.145E-02 3806 T= 6806. E= 0.67514513E+03 F= 0.61965411E+03 E0= 0.64791030E+03 EK= 0.55423E+02 SP= -.33E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337446818119E+03 -0.83194E+00 -0.10761E-01 7752 0.238E+01 0.221E-01 RMM: 2 -0.337466179407E+03 -0.19361E-01 -0.12588E-01 4868 0.845E-01 0.111E+00 RMM: 3 -0.337457581024E+03 0.85984E-02 -0.14829E-02 5826 0.244E-01 0.190E-01 RMM: 4 -0.337457204805E+03 0.37622E-03 -0.89212E-04 4756 0.680E-02 0.113E-01 RMM: 5 -0.337457133844E+03 0.70961E-04 -0.14028E-04 3867 0.317E-02 0.812E-02 RMM: 6 -0.337457096281E+03 0.37563E-04 -0.35902E-05 2893 0.179E-02 0.463E-02 RMM: 7 -0.337457096653E+03 -0.37229E-06 -0.28114E-05 2551 0.163E-02 3807 T= 6966. E= 0.67514136E+03 F= 0.61881189E+03 E0= 0.64707676E+03 EK= 0.56728E+02 SP= -.77E+00 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338163488870E+03 -0.70639E+00 -0.11750E-01 7872 0.242E+01 0.204E-01 RMM: 2 -0.338181011168E+03 -0.17522E-01 -0.12962E-01 4839 0.856E-01 0.932E-01 RMM: 3 -0.338174712991E+03 0.62982E-02 -0.15003E-02 5896 0.241E-01 0.167E-01 RMM: 4 -0.338174383948E+03 0.32904E-03 -0.79853E-04 4740 0.655E-02 0.118E-01 RMM: 5 -0.338174301601E+03 0.82347E-04 -0.12799E-04 3845 0.321E-02 0.688E-02 RMM: 6 -0.338174277273E+03 0.24328E-04 -0.31794E-05 2757 0.168E-02 0.425E-02 RMM: 7 -0.338174279381E+03 -0.21079E-05 -0.25313E-05 2556 0.155E-02 3808 T= 7110. E= 0.67513910E+03 F= 0.61809471E+03 E0= 0.64636765E+03 EK= 0.57899E+02 SP= -.12E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338718390874E+03 -0.54411E+00 -0.13110E-01 7840 0.246E+01 0.194E-01 RMM: 2 -0.338735065120E+03 -0.16674E-01 -0.13519E-01 4846 0.868E-01 0.820E-01 RMM: 3 -0.338730170604E+03 0.48945E-02 -0.15318E-02 6058 0.235E-01 0.158E-01 RMM: 4 -0.338729858978E+03 0.31163E-03 -0.75463E-04 4725 0.676E-02 0.139E-01 RMM: 5 -0.338729733125E+03 0.12585E-03 -0.13268E-04 3838 0.327E-02 0.698E-02 RMM: 6 -0.338729708320E+03 0.24805E-04 -0.31095E-05 2737 0.168E-02 0.427E-02 RMM: 7 -0.338729706701E+03 0.16192E-05 -0.26833E-05 2551 0.156E-02 3809 T= 7232. E= 0.67513817E+03 F= 0.61753928E+03 E0= 0.64581944E+03 EK= 0.58894E+02 SP= -.16E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339093418080E+03 -0.36371E+00 -0.14092E-01 7792 0.249E+01 0.186E-01 RMM: 2 -0.339111588793E+03 -0.18171E-01 -0.15285E-01 4819 0.929E-01 0.785E-01 RMM: 3 -0.339106911196E+03 0.46776E-02 -0.17220E-02 6011 0.246E-01 0.144E-01 RMM: 4 -0.339106594275E+03 0.31692E-03 -0.77741E-04 4759 0.683E-02 0.132E-01 RMM: 5 -0.339106482979E+03 0.11130E-03 -0.12742E-04 3861 0.330E-02 0.665E-02 RMM: 6 -0.339106463016E+03 0.19963E-04 -0.33169E-05 2799 0.172E-02 3810 T= 7329. E= 0.67513894E+03 F= 0.61716253E+03 E0= 0.64544938E+03 EK= 0.59686E+02 SP= -.20E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339294896907E+03 -0.18841E+00 -0.13706E-01 7656 0.251E+01 0.214E-01 RMM: 2 -0.339315426392E+03 -0.20529E-01 -0.14956E-01 4912 0.898E-01 0.101E+00 RMM: 3 -0.339307775919E+03 0.76505E-02 -0.16369E-02 5685 0.260E-01 0.193E-01 RMM: 4 -0.339307430062E+03 0.34586E-03 -0.98679E-04 4841 0.687E-02 0.110E-01 RMM: 5 -0.339307354368E+03 0.75694E-04 -0.13873E-04 3948 0.323E-02 0.769E-02 RMM: 6 -0.339307324658E+03 0.29711E-04 -0.33868E-05 2789 0.174E-02 0.546E-02 RMM: 7 -0.339307332938E+03 -0.82807E-05 -0.45679E-05 3033 0.201E-02 3811 T= 7401. E= 0.67513984E+03 F= 0.61696166E+03 E0= 0.64525536E+03 EK= 0.60272E+02 SP= -.23E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339337533180E+03 -0.30209E-01 -0.13324E-01 7792 0.253E+01 0.244E-01 RMM: 2 -0.339357984048E+03 -0.20451E-01 -0.13686E-01 4885 0.883E-01 0.111E+00 RMM: 3 -0.339349233515E+03 0.87505E-02 -0.16172E-02 5724 0.261E-01 0.207E-01 RMM: 4 -0.339348893645E+03 0.33987E-03 -0.11631E-03 4810 0.776E-02 0.144E-01 RMM: 5 -0.339348795821E+03 0.97824E-04 -0.18607E-04 3915 0.365E-02 0.958E-02 RMM: 6 -0.339348737314E+03 0.58507E-04 -0.43609E-05 3069 0.197E-02 0.385E-02 RMM: 7 -0.339348739896E+03 -0.25822E-05 -0.23894E-05 2542 0.152E-02 3812 T= 7449. E= 0.67514173E+03 F= 0.61692025E+03 E0= 0.64521975E+03 EK= 0.60663E+02 SP= -.26E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339241463868E+03 0.10727E+00 -0.15505E-01 7848 0.254E+01 0.220E-01 RMM: 2 -0.339264749735E+03 -0.23286E-01 -0.17895E-01 4793 0.101E+00 0.101E+00 RMM: 3 -0.339257325080E+03 0.74247E-02 -0.20752E-02 5908 0.278E-01 0.175E-01 RMM: 4 -0.339256869758E+03 0.45532E-03 -0.98732E-04 4929 0.713E-02 0.111E-01 RMM: 5 -0.339256797505E+03 0.72253E-04 -0.14345E-04 4020 0.345E-02 0.777E-02 RMM: 6 -0.339256769452E+03 0.28053E-04 -0.37523E-05 2824 0.184E-02 0.583E-02 RMM: 7 -0.339256771698E+03 -0.22458E-05 -0.49834E-05 2990 0.195E-02 3813 T= 7476. E= 0.67514382E+03 F= 0.61701222E+03 E0= 0.64531977E+03 EK= 0.60881E+02 SP= -.29E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339042735465E+03 0.21403E+00 -0.15453E-01 7880 0.255E+01 0.194E-01 RMM: 2 -0.339059938986E+03 -0.17204E-01 -0.14618E-01 5025 0.887E-01 0.764E-01 RMM: 3 -0.339055370437E+03 0.45685E-02 -0.14875E-02 5959 0.239E-01 0.177E-01 RMM: 4 -0.339055037424E+03 0.33301E-03 -0.74572E-04 4796 0.625E-02 0.111E-01 RMM: 5 -0.339054954231E+03 0.83193E-04 -0.11165E-04 3784 0.305E-02 0.669E-02 RMM: 6 -0.339054936660E+03 0.17571E-04 -0.30037E-05 2656 0.167E-02 3814 T= 7484. E= 0.67514525E+03 F= 0.61721405E+03 E0= 0.64553069E+03 EK= 0.60946E+02 SP= -.31E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338741632695E+03 0.31332E+00 -0.15530E-01 7960 0.256E+01 0.224E-01 RMM: 2 -0.338763080014E+03 -0.21447E-01 -0.14524E-01 5000 0.863E-01 0.110E+00 RMM: 3 -0.338753998498E+03 0.90815E-02 -0.15045E-02 5560 0.263E-01 0.222E-01 RMM: 4 -0.338753619359E+03 0.37914E-03 -0.10677E-03 4855 0.688E-02 0.967E-02 RMM: 5 -0.338753563154E+03 0.56204E-04 -0.12982E-04 3921 0.315E-02 0.839E-02 RMM: 6 -0.338753537350E+03 0.25805E-04 -0.33687E-05 2721 0.172E-02 0.682E-02 RMM: 7 -0.338753556286E+03 -0.18936E-04 -0.68032E-05 3514 0.222E-02 3815 T= 7474. E= 0.67514430E+03 F= 0.61751543E+03 E0= 0.64584458E+03 EK= 0.60866E+02 SP= -.33E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338323739792E+03 0.42980E+00 -0.15985E-01 8104 0.256E+01 0.255E-01 RMM: 2 -0.338344762832E+03 -0.21023E-01 -0.13269E-01 4956 0.843E-01 0.117E+00 RMM: 3 -0.338334802821E+03 0.99600E-02 -0.13881E-02 5599 0.260E-01 0.247E-01 RMM: 4 -0.338334368373E+03 0.43445E-03 -0.12153E-03 4776 0.774E-02 0.121E-01 RMM: 5 -0.338334321482E+03 0.46891E-04 -0.18265E-04 3906 0.356E-02 0.102E-01 RMM: 6 -0.338334257157E+03 0.64325E-04 -0.46808E-05 3114 0.207E-02 0.427E-02 RMM: 7 -0.338334268885E+03 -0.11728E-04 -0.25708E-05 2587 0.155E-02 3816 T= 7444. E= 0.67514068E+03 F= 0.61793472E+03 E0= 0.64627835E+03 EK= 0.60622E+02 SP= -.35E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337735524002E+03 0.59873E+00 -0.16950E-01 8360 0.257E+01 0.212E-01 RMM: 2 -0.337755448034E+03 -0.19924E-01 -0.14272E-01 5123 0.851E-01 0.101E+00 RMM: 3 -0.337747674589E+03 0.77734E-02 -0.13157E-02 5768 0.238E-01 0.202E-01 RMM: 4 -0.337747323144E+03 0.35145E-03 -0.85866E-04 4757 0.643E-02 0.104E-01 RMM: 5 -0.337747257813E+03 0.65331E-04 -0.12042E-04 3866 0.296E-02 0.831E-02 RMM: 6 -0.337747234692E+03 0.23122E-04 -0.35163E-05 2782 0.176E-02 0.680E-02 RMM: 7 -0.337747249770E+03 -0.15079E-04 -0.77225E-05 3647 0.213E-02 3817 T= 7388. E= 0.67513649E+03 F= 0.61852174E+03 E0= 0.64688415E+03 EK= 0.60167E+02 SP= -.36E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336925585311E+03 0.82165E+00 -0.17242E-01 8656 0.257E+01 0.179E-01 RMM: 2 -0.336941265839E+03 -0.15681E-01 -0.13203E-01 5231 0.796E-01 0.739E-01 RMM: 3 -0.336936744034E+03 0.45218E-02 -0.10391E-02 5887 0.212E-01 0.156E-01 RMM: 4 -0.336936560294E+03 0.18374E-03 -0.62674E-04 4765 0.545E-02 0.111E-01 RMM: 5 -0.336936489577E+03 0.70717E-04 -0.91709E-05 3610 0.270E-02 0.711E-02 RMM: 6 -0.336936474678E+03 0.14899E-04 -0.31458E-05 2778 0.168E-02 3818 T= 7301. E= 0.67513507E+03 F= 0.61933251E+03 E0= 0.64771531E+03 EK= 0.59452E+02 SP= -.37E+01 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335879024543E+03 0.10575E+01 -0.18718E-01 8944 0.257E+01 0.244E-01 RMM: 2 -0.335900528290E+03 -0.21504E-01 -0.14753E-01 5259 0.849E-01 0.110E+00 RMM: 3 -0.335891471937E+03 0.90564E-02 -0.13227E-02 5501 0.252E-01 0.197E-01 RMM: 4 -0.335891230935E+03 0.24100E-03 -0.12155E-03 5330 0.647E-02 0.117E-01 RMM: 5 -0.335891149500E+03 0.81435E-04 -0.10799E-04 3738 0.290E-02 0.886E-02 RMM: 6 -0.335891128431E+03 0.21069E-04 -0.42200E-05 3017 0.187E-02 0.804E-02 RMM: 7 -0.335891185591E+03 -0.57160E-04 -0.14652E-04 3894 0.314E-02 0.123E-01 RMM: 8 -0.335891098099E+03 0.87492E-04 -0.99606E-05 3807 0.231E-02 0.397E-02 RMM: 9 -0.335891090553E+03 0.75457E-05 -0.15981E-05 2523 0.117E-02 3819 T= 7180. E= 0.67514077E+03 F= 0.62037790E+03 E0= 0.64878368E+03 EK= 0.58474E+02 SP= -.37E+01 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334684795942E+03 0.12063E+01 -0.20762E-01 8968 0.254E+01 0.307E-01 RMM: 2 -0.334712478559E+03 -0.27683E-01 -0.17465E-01 5249 0.956E-01 0.138E+00 RMM: 3 -0.334699038503E+03 0.13440E-01 -0.16560E-02 5588 0.280E-01 0.265E-01 RMM: 4 -0.334698566995E+03 0.47151E-03 -0.15644E-03 4861 0.849E-02 0.160E-01 RMM: 5 -0.334698467359E+03 0.99636E-04 -0.23805E-04 3883 0.390E-02 0.121E-01 RMM: 6 -0.334698385052E+03 0.82307E-04 -0.72287E-05 3477 0.243E-02 0.639E-02 RMM: 7 -0.334698407885E+03 -0.22834E-04 -0.48260E-05 3076 0.201E-02 0.865E-02 RMM: 8 -0.334698368053E+03 0.39832E-04 -0.57544E-05 3179 0.203E-02 0.356E-02 RMM: 9 -0.334698373357E+03 -0.53037E-05 -0.27346E-05 2603 0.149E-02 3820 T= 7039. E= 0.67515361E+03 F= 0.62157062E+03 E0= 0.65000096E+03 EK= 0.57326E+02 SP= -.37E+01 SK= 0.70E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333524736733E+03 0.11736E+01 -0.20326E-01 8880 0.249E+01 0.308E-01 RMM: 2 -0.333552846436E+03 -0.28110E-01 -0.18524E-01 5261 0.101E+00 0.131E+00 RMM: 3 -0.333540179787E+03 0.12667E-01 -0.18805E-02 5642 0.286E-01 0.272E-01 RMM: 4 -0.333539657904E+03 0.52188E-03 -0.16094E-03 4841 0.858E-02 0.173E-01 RMM: 5 -0.333539480177E+03 0.17773E-03 -0.25274E-04 3919 0.398E-02 0.104E-01 RMM: 6 -0.333539426511E+03 0.53666E-04 -0.59394E-05 3347 0.223E-02 0.672E-02 RMM: 7 -0.333539434255E+03 -0.77438E-05 -0.46030E-05 2990 0.201E-02 3821 T= 6900. E= 0.67516706E+03 F= 0.62272956E+03 E0= 0.65118516E+03 EK= 0.56189E+02 SP= -.38E+01 SK= 0.95E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.332585246461E+03 0.95418E+00 -0.16548E-01 8360 0.244E+01 0.233E-01 RMM: 2 -0.332605158883E+03 -0.19912E-01 -0.15539E-01 5196 0.925E-01 0.965E-01 RMM: 3 -0.332598647112E+03 0.65118E-02 -0.14915E-02 5881 0.245E-01 0.212E-01 RMM: 4 -0.332598238014E+03 0.40910E-03 -0.91981E-04 4904 0.660E-02 0.127E-01 RMM: 5 -0.332598150267E+03 0.87747E-04 -0.13190E-04 3941 0.309E-02 0.900E-02 RMM: 6 -0.332598157053E+03 -0.67864E-05 -0.52418E-05 3212 0.205E-02 3822 T= 6784. E= 0.67517309E+03 F= 0.62367083E+03 E0= 0.65215291E+03 EK= 0.55247E+02 SP= -.37E+01 SK= 0.31E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331931189381E+03 0.66696E+00 -0.14165E-01 7736 0.242E+01 0.365E-01 RMM: 2 -0.331975773998E+03 -0.44585E-01 -0.15906E-01 4839 0.936E-01 0.216E+00 RMM: 3 -0.331944017655E+03 0.31756E-01 -0.21075E-02 5392 0.341E-01 0.342E-01 RMM: 4 -0.331943234593E+03 0.78306E-03 -0.23542E-03 5254 0.956E-02 0.105E-01 RMM: 5 -0.331943222141E+03 0.12452E-04 -0.26015E-04 4078 0.338E-02 0.110E-01 RMM: 6 -0.331943153692E+03 0.68449E-04 -0.48493E-05 3149 0.202E-02 0.526E-02 RMM: 7 -0.331943171692E+03 -0.18001E-04 -0.31515E-05 2722 0.166E-02 3823 T= 6701. E= 0.67516857E+03 F= 0.62432582E+03 E0= 0.65283192E+03 EK= 0.54569E+02 SP= -.37E+01 SK= 0.95E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331478440163E+03 0.46471E+00 -0.14483E-01 8688 0.241E+01 0.353E-01 RMM: 2 -0.331515342972E+03 -0.36903E-01 -0.15084E-01 4977 0.898E-01 0.190E+00 RMM: 3 -0.331490413402E+03 0.24930E-01 -0.18777E-02 5396 0.318E-01 0.389E-01 RMM: 4 -0.331489351863E+03 0.10615E-02 -0.22219E-03 5175 0.993E-02 0.103E-01 RMM: 5 -0.331489358294E+03 -0.64309E-05 -0.28341E-04 3983 0.359E-02 0.128E-01 RMM: 6 -0.331489257755E+03 0.10054E-03 -0.65237E-05 3422 0.232E-02 0.532E-02 RMM: 7 -0.331489271020E+03 -0.13264E-04 -0.32830E-05 2789 0.160E-02 3824 T= 6641. E= 0.67515909E+03 F= 0.62477972E+03 E0= 0.65330857E+03 EK= 0.54079E+02 SP= -.37E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331063840661E+03 0.42542E+00 -0.18187E-01 8864 0.242E+01 0.310E-01 RMM: 2 -0.331095099531E+03 -0.31259E-01 -0.19124E-01 5086 0.985E-01 0.147E+00 RMM: 3 -0.331079593934E+03 0.15506E-01 -0.20923E-02 5560 0.303E-01 0.286E-01 RMM: 4 -0.331078942270E+03 0.65166E-03 -0.17457E-03 5012 0.853E-02 0.133E-01 RMM: 5 -0.331078852848E+03 0.89422E-04 -0.22351E-04 3985 0.354E-02 0.102E-01 RMM: 6 -0.331078801815E+03 0.51033E-04 -0.44836E-05 3062 0.199E-02 0.657E-02 RMM: 7 -0.331078814683E+03 -0.12868E-04 -0.40526E-05 2852 0.184E-02 3825 T= 6586. E= 0.67515299E+03 F= 0.62519017E+03 E0= 0.65373749E+03 EK= 0.53631E+02 SP= -.37E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330579748213E+03 0.49905E+00 -0.20579E-01 9112 0.241E+01 0.315E-01 RMM: 2 -0.330613777615E+03 -0.34029E-01 -0.21339E-01 5215 0.101E+00 0.148E+00 RMM: 3 -0.330597562494E+03 0.16215E-01 -0.22192E-02 5633 0.301E-01 0.304E-01 RMM: 4 -0.330596786081E+03 0.77641E-03 -0.18109E-03 4958 0.882E-02 0.146E-01 RMM: 5 -0.330596662285E+03 0.12380E-03 -0.23366E-04 4033 0.357E-02 0.108E-01 RMM: 6 -0.330596619254E+03 0.43031E-04 -0.47730E-05 3126 0.202E-02 0.853E-02 RMM: 7 -0.330596629920E+03 -0.10666E-04 -0.68260E-05 3474 0.213E-02 3826 T= 6522. E= 0.67515317E+03 F= 0.62567236E+03 E0= 0.65423531E+03 EK= 0.53115E+02 SP= -.36E+01 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330000231986E+03 0.59639E+00 -0.22659E-01 9080 0.240E+01 0.272E-01 RMM: 2 -0.330030387869E+03 -0.30156E-01 -0.21723E-01 5263 0.981E-01 0.125E+00 RMM: 3 -0.330018375431E+03 0.12012E-01 -0.19798E-02 5694 0.278E-01 0.254E-01 RMM: 4 -0.330017840808E+03 0.53462E-03 -0.14595E-03 5000 0.781E-02 0.140E-01 RMM: 5 -0.330017730282E+03 0.11053E-03 -0.19141E-04 4032 0.333E-02 0.103E-01 RMM: 6 -0.330017693828E+03 0.36454E-04 -0.45898E-05 3093 0.197E-02 0.832E-02 RMM: 7 -0.330017712397E+03 -0.18569E-04 -0.86407E-05 3665 0.233E-02 3827 T= 6447. E= 0.67515696E+03 F= 0.62625128E+03 E0= 0.65482409E+03 EK= 0.52504E+02 SP= -.36E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329365060691E+03 0.65263E+00 -0.24328E-01 9080 0.238E+01 0.233E-01 RMM: 2 -0.329393207805E+03 -0.28147E-01 -0.21519E-01 5373 0.936E-01 0.110E+00 RMM: 3 -0.329382972430E+03 0.10235E-01 -0.15835E-02 5709 0.251E-01 0.200E-01 RMM: 4 -0.329382684352E+03 0.28808E-03 -0.11924E-03 4887 0.729E-02 0.157E-01 RMM: 5 -0.329382523942E+03 0.16041E-03 -0.17873E-04 3904 0.335E-02 0.872E-02 RMM: 6 -0.329382499432E+03 0.24510E-04 -0.47656E-05 3146 0.195E-02 0.743E-02 RMM: 7 -0.329382513063E+03 -0.13631E-04 -0.73100E-05 3562 0.218E-02 3828 T= 6366. E= 0.67516205E+03 F= 0.62688648E+03 E0= 0.65546403E+03 EK= 0.51842E+02 SP= -.36E+01 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328740326719E+03 0.64217E+00 -0.26872E-01 9072 0.236E+01 0.216E-01 RMM: 2 -0.328765735347E+03 -0.25409E-01 -0.21011E-01 5516 0.926E-01 0.923E-01 RMM: 3 -0.328758049673E+03 0.76857E-02 -0.13470E-02 5782 0.241E-01 0.183E-01 RMM: 4 -0.328757805984E+03 0.24369E-03 -0.99644E-04 5010 0.652E-02 0.127E-01 RMM: 5 -0.328757701630E+03 0.10435E-03 -0.13898E-04 3910 0.298E-02 0.885E-02 RMM: 6 -0.328757666585E+03 0.35045E-04 -0.45374E-05 3087 0.195E-02 0.642E-02 RMM: 7 -0.328757682640E+03 -0.16055E-04 -0.90336E-05 3783 0.243E-02 3829 T= 6287. E= 0.67516610E+03 F= 0.62751131E+03 E0= 0.65608723E+03 EK= 0.51194E+02 SP= -.35E+01 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328185566413E+03 0.57210E+00 -0.27687E-01 9016 0.234E+01 0.224E-01 RMM: 2 -0.328211425982E+03 -0.25860E-01 -0.20582E-01 5518 0.917E-01 0.991E-01 RMM: 3 -0.328203088716E+03 0.83373E-02 -0.13127E-02 5916 0.235E-01 0.191E-01 RMM: 4 -0.328202783018E+03 0.30570E-03 -0.96192E-04 4778 0.683E-02 0.132E-01 RMM: 5 -0.328202683117E+03 0.99902E-04 -0.16322E-04 3889 0.330E-02 0.855E-02 RMM: 6 -0.328202642949E+03 0.40168E-04 -0.48714E-05 3181 0.200E-02 0.531E-02 RMM: 7 -0.328202668232E+03 -0.25283E-04 -0.55738E-05 3283 0.205E-02 0.874E-02 RMM: 8 -0.328202618494E+03 0.49738E-04 -0.52736E-05 2992 0.187E-02 0.299E-02 RMM: 9 -0.328202615318E+03 0.31760E-05 -0.15000E-05 2478 0.112E-02 3830 T= 6216. E= 0.67516841E+03 F= 0.62806637E+03 E0= 0.65663376E+03 EK= 0.50622E+02 SP= -.35E+01 SK= 0.41E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327736939614E+03 0.46568E+00 -0.27433E-01 9000 0.233E+01 0.200E-01 RMM: 2 -0.327759399290E+03 -0.22460E-01 -0.19586E-01 5583 0.908E-01 0.769E-01 RMM: 3 -0.327753966360E+03 0.54329E-02 -0.11986E-02 5958 0.222E-01 0.146E-01 RMM: 4 -0.327753827129E+03 0.13923E-03 -0.79818E-04 4750 0.649E-02 0.165E-01 RMM: 5 -0.327753639248E+03 0.18788E-03 -0.16675E-04 3879 0.344E-02 0.743E-02 RMM: 6 -0.327753608807E+03 0.30441E-04 -0.48057E-05 3139 0.201E-02 0.491E-02 RMM: 7 -0.327753623141E+03 -0.14334E-04 -0.52776E-05 3169 0.202E-02 3831 T= 6160. E= 0.67516876E+03 F= 0.62851537E+03 E0= 0.65706724E+03 EK= 0.50165E+02 SP= -.35E+01 SK= 0.12E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.327408972398E+03 0.34464E+00 -0.24813E-01 8848 0.233E+01 0.206E-01 RMM: 2 -0.327430233454E+03 -0.21261E-01 -0.17612E-01 5742 0.864E-01 0.852E-01 RMM: 3 -0.327423938703E+03 0.62948E-02 -0.10561E-02 6100 0.212E-01 0.174E-01 RMM: 4 -0.327423700085E+03 0.23862E-03 -0.71837E-04 4757 0.593E-02 0.122E-01 RMM: 5 -0.327423606282E+03 0.93803E-04 -0.11525E-04 3768 0.285E-02 0.730E-02 RMM: 6 -0.327423578276E+03 0.28006E-04 -0.30902E-05 2810 0.168E-02 0.479E-02 RMM: 7 -0.327423593245E+03 -0.14969E-04 -0.59319E-05 3349 0.208E-02 3832 T= 6120. E= 0.67516748E+03 F= 0.62884540E+03 E0= 0.65737626E+03 EK= 0.49837E+02 SP= -.35E+01 SK= 0.26E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327197151764E+03 0.22643E+00 -0.22924E-01 8960 0.234E+01 0.191E-01 RMM: 2 -0.327218000018E+03 -0.20848E-01 -0.17773E-01 5462 0.899E-01 0.789E-01 RMM: 3 -0.327212392188E+03 0.56078E-02 -0.12592E-02 6174 0.220E-01 0.139E-01 RMM: 4 -0.327212203686E+03 0.18850E-03 -0.74174E-04 4730 0.645E-02 0.152E-01 RMM: 5 -0.327212043317E+03 0.16037E-03 -0.14124E-04 3837 0.323E-02 0.608E-02 RMM: 6 -0.327212028539E+03 0.14777E-04 -0.32568E-05 2848 0.169E-02 3833 T= 6096. E= 0.67516671E+03 F= 0.62905696E+03 E0= 0.65756474E+03 EK= 0.49643E+02 SP= -.35E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327109043622E+03 0.10300E+00 -0.19684E-01 8808 0.235E+01 0.256E-01 RMM: 2 -0.327138261102E+03 -0.29217E-01 -0.16588E-01 5336 0.878E-01 0.144E+00 RMM: 3 -0.327122813259E+03 0.15448E-01 -0.13944E-02 5467 0.260E-01 0.231E-01 RMM: 4 -0.327122427272E+03 0.38599E-03 -0.12786E-03 4929 0.724E-02 0.105E-01 RMM: 5 -0.327122355812E+03 0.71460E-04 -0.15323E-04 4013 0.316E-02 0.827E-02 RMM: 6 -0.327122320672E+03 0.35140E-04 -0.41176E-05 3022 0.183E-02 0.619E-02 RMM: 7 -0.327122350617E+03 -0.29945E-04 -0.77723E-05 3653 0.241E-02 0.101E-01 RMM: 8 -0.327122282123E+03 0.68495E-04 -0.71719E-05 3532 0.209E-02 0.397E-02 RMM: 9 -0.327122273523E+03 0.85997E-05 -0.15937E-05 2510 0.117E-02 3834 T= 6089. E= 0.67516742E+03 F= 0.62914672E+03 E0= 0.65763348E+03 EK= 0.49586E+02 SP= -.36E+01 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327160660288E+03 -0.38378E-01 -0.16570E-01 8688 0.235E+01 0.288E-01 RMM: 2 -0.327188619690E+03 -0.27959E-01 -0.14626E-01 5190 0.851E-01 0.148E+00 RMM: 3 -0.327172414077E+03 0.16206E-01 -0.13854E-02 5436 0.266E-01 0.267E-01 RMM: 4 -0.327171971224E+03 0.44285E-03 -0.16468E-03 4898 0.882E-02 0.137E-01 RMM: 5 -0.327171897096E+03 0.74128E-04 -0.21926E-04 3988 0.337E-02 0.114E-01 RMM: 6 -0.327171812077E+03 0.85019E-04 -0.47738E-05 3176 0.209E-02 0.369E-02 RMM: 7 -0.327171814648E+03 -0.25709E-05 -0.19802E-05 2535 0.131E-02 3835 T= 6101. E= 0.67516872E+03 F= 0.62909717E+03 E0= 0.65756875E+03 EK= 0.49683E+02 SP= -.36E+01 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327374848531E+03 -0.20304E+00 -0.13936E-01 8672 0.236E+01 0.213E-01 RMM: 2 -0.327394266544E+03 -0.19418E-01 -0.12323E-01 5400 0.787E-01 0.111E+00 RMM: 3 -0.327385185635E+03 0.90809E-02 -0.10509E-02 5547 0.222E-01 0.211E-01 RMM: 4 -0.327384860922E+03 0.32471E-03 -0.84974E-04 4831 0.603E-02 0.861E-02 RMM: 5 -0.327384827015E+03 0.33907E-04 -0.95326E-05 3855 0.255E-02 0.779E-02 RMM: 6 -0.327384801861E+03 0.25154E-04 -0.23157E-05 2562 0.143E-02 0.603E-02 RMM: 7 -0.327384817516E+03 -0.15654E-04 -0.81986E-05 3734 0.232E-02 3836 T= 6135. E= 0.67516916E+03 F= 0.62888417E+03 E0= 0.65734858E+03 EK= 0.49958E+02 SP= -.37E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327762518201E+03 -0.37772E+00 -0.12191E-01 8216 0.237E+01 0.205E-01 RMM: 2 -0.327777449324E+03 -0.14931E-01 -0.10832E-01 5097 0.763E-01 0.903E-01 RMM: 3 -0.327771585354E+03 0.58640E-02 -0.10859E-02 5716 0.215E-01 0.167E-01 RMM: 4 -0.327771391589E+03 0.19377E-03 -0.81270E-04 4673 0.644E-02 0.134E-01 RMM: 5 -0.327771286664E+03 0.10493E-03 -0.12979E-04 3813 0.299E-02 0.759E-02 RMM: 6 -0.327771251626E+03 0.35037E-04 -0.28548E-05 2732 0.167E-02 0.366E-02 RMM: 7 -0.327771251547E+03 0.79806E-07 -0.14780E-05 2497 0.122E-02 3837 T= 6191. E= 0.67516691E+03 F= 0.62849774E+03 E0= 0.65696426E+03 EK= 0.50417E+02 SP= -.38E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328291657308E+03 -0.52041E+00 -0.10956E-01 7656 0.238E+01 0.166E-01 RMM: 2 -0.328304249482E+03 -0.12592E-01 -0.99162E-02 4986 0.738E-01 0.759E-01 RMM: 3 -0.328300168581E+03 0.40809E-02 -0.10604E-02 5835 0.201E-01 0.154E-01 RMM: 4 -0.328299919123E+03 0.24946E-03 -0.56088E-04 4777 0.526E-02 0.900E-02 RMM: 5 -0.328299863167E+03 0.55957E-04 -0.77321E-05 3555 0.250E-02 0.636E-02 RMM: 6 -0.328299846494E+03 0.16673E-04 -0.23160E-05 2550 0.144E-02 3838 T= 6266. E= 0.67516126E+03 F= 0.62796914E+03 E0= 0.65644683E+03 EK= 0.51027E+02 SP= -.39E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328878419921E+03 -0.57856E+00 -0.10878E-01 7592 0.240E+01 0.231E-01 RMM: 2 -0.328897269666E+03 -0.18850E-01 -0.10518E-01 4820 0.784E-01 0.120E+00 RMM: 3 -0.328887245884E+03 0.10024E-01 -0.12934E-02 5491 0.244E-01 0.200E-01 RMM: 4 -0.328886936884E+03 0.30900E-03 -0.99800E-04 4837 0.647E-02 0.886E-02 RMM: 5 -0.328886892447E+03 0.44437E-04 -0.12293E-04 3932 0.295E-02 0.710E-02 RMM: 6 -0.328886865951E+03 0.26496E-04 -0.26291E-05 2554 0.149E-02 0.503E-02 RMM: 7 -0.328886872769E+03 -0.68175E-05 -0.34057E-05 2775 0.180E-02 3839 T= 6349. E= 0.67515381E+03 F= 0.62738212E+03 E0= 0.65587883E+03 EK= 0.51704E+02 SP= -.40E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329412445985E+03 -0.52558E+00 -0.11205E-01 7656 0.242E+01 0.237E-01 RMM: 2 -0.329429315273E+03 -0.16869E-01 -0.10933E-01 4823 0.814E-01 0.106E+00 RMM: 3 -0.329421612431E+03 0.77028E-02 -0.13649E-02 5593 0.243E-01 0.231E-01 RMM: 4 -0.329421248731E+03 0.36370E-03 -0.11314E-03 4769 0.756E-02 0.136E-01 RMM: 5 -0.329421173246E+03 0.75485E-04 -0.18929E-04 3877 0.360E-02 0.104E-01 RMM: 6 -0.329421104003E+03 0.69242E-04 -0.47015E-05 3139 0.205E-02 0.384E-02 RMM: 7 -0.329421108319E+03 -0.43162E-05 -0.24315E-05 2539 0.154E-02 3840 T= 6427. E= 0.67514682E+03 F= 0.62684788E+03 E0= 0.65536997E+03 EK= 0.52335E+02 SP= -.41E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329787663803E+03 -0.36656E+00 -0.12096E-01 7760 0.243E+01 0.218E-01 RMM: 2 -0.329806145534E+03 -0.18482E-01 -0.12230E-01 4936 0.834E-01 0.108E+00 RMM: 3 -0.329798182322E+03 0.79632E-02 -0.14384E-02 5772 0.235E-01 0.184E-01 RMM: 4 -0.329797841580E+03 0.34074E-03 -0.87600E-04 4793 0.652E-02 0.121E-01 RMM: 5 -0.329797738255E+03 0.10332E-03 -0.12889E-04 3847 0.310E-02 0.710E-02 RMM: 6 -0.329797716871E+03 0.21385E-04 -0.29803E-05 2611 0.160E-02 0.563E-02 RMM: 7 -0.329797708346E+03 0.85252E-05 -0.30278E-05 2598 0.166E-02 3841 T= 6486. E= 0.67514256E+03 F= 0.62647128E+03 E0= 0.65502178E+03 EK= 0.52815E+02 SP= -.42E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329938986125E+03 -0.14127E+00 -0.12245E-01 7808 0.243E+01 0.199E-01 RMM: 2 -0.329955176708E+03 -0.16191E-01 -0.11921E-01 4953 0.813E-01 0.918E-01 RMM: 3 -0.329949359010E+03 0.58177E-02 -0.13751E-02 5884 0.222E-01 0.195E-01 RMM: 4 -0.329948961274E+03 0.39774E-03 -0.78017E-04 4743 0.635E-02 0.107E-01 RMM: 5 -0.329948878807E+03 0.82466E-04 -0.11071E-04 3787 0.276E-02 0.689E-02 RMM: 6 -0.329948861675E+03 0.17132E-04 -0.25672E-05 2564 0.153E-02 3842 T= 6517. E= 0.67514172E+03 F= 0.62632013E+03 E0= 0.65489973E+03 EK= 0.53074E+02 SP= -.43E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329847547782E+03 0.10133E+00 -0.12032E-01 7840 0.242E+01 0.196E-01 RMM: 2 -0.329863567840E+03 -0.16020E-01 -0.10815E-01 5072 0.753E-01 0.980E-01 RMM: 3 -0.329856648050E+03 0.69198E-02 -0.11787E-02 5703 0.220E-01 0.178E-01 RMM: 4 -0.329856379601E+03 0.26845E-03 -0.77583E-04 4861 0.584E-02 0.103E-01 RMM: 5 -0.329856299223E+03 0.80378E-04 -0.93922E-05 3865 0.246E-02 0.732E-02 RMM: 6 -0.329856284417E+03 0.14806E-04 -0.24508E-05 2570 0.149E-02 3843 T= 6520. E= 0.67514387E+03 F= 0.62641270E+03 E0= 0.65501885E+03 EK= 0.53092E+02 SP= -.44E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329537113346E+03 0.31919E+00 -0.11901E-01 8168 0.240E+01 0.373E-01 RMM: 2 -0.329579254311E+03 -0.42141E-01 -0.11511E-01 5001 0.828E-01 0.221E+00 RMM: 3 -0.329545705372E+03 0.33549E-01 -0.18166E-02 5377 0.328E-01 0.365E-01 RMM: 4 -0.329544707764E+03 0.99761E-03 -0.21965E-03 5071 0.961E-02 0.905E-02 RMM: 5 -0.329544692502E+03 0.15262E-04 -0.24351E-04 4235 0.314E-02 0.106E-01 RMM: 6 -0.329544623173E+03 0.69329E-04 -0.34262E-05 2852 0.180E-02 0.543E-02 RMM: 7 -0.329544631293E+03 -0.81205E-05 -0.28954E-05 2651 0.157E-02 3844 T= 6495. E= 0.67514797E+03 F= 0.62672436E+03 E0= 0.65535221E+03 EK= 0.52893E+02 SP= -.45E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329059129790E+03 0.48549E+00 -0.11864E-01 8064 0.239E+01 0.305E-01 RMM: 2 -0.329085313388E+03 -0.26184E-01 -0.11069E-01 4953 0.780E-01 0.158E+00 RMM: 3 -0.329068015186E+03 0.17298E-01 -0.14533E-02 5391 0.278E-01 0.337E-01 RMM: 4 -0.329067270614E+03 0.74457E-03 -0.19013E-03 5003 0.948E-02 0.127E-01 RMM: 5 -0.329067294730E+03 -0.24116E-04 -0.26961E-04 3938 0.378E-02 0.144E-01 RMM: 6 -0.329067156274E+03 0.13846E-03 -0.72618E-05 3470 0.248E-02 0.378E-02 RMM: 7 -0.329067156468E+03 -0.19369E-06 -0.19717E-05 2530 0.131E-02 3845 T= 6450. E= 0.67515324E+03 F= 0.62720183E+03 E0= 0.65584379E+03 EK= 0.52528E+02 SP= -.46E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328481763687E+03 0.58539E+00 -0.12565E-01 7864 0.236E+01 0.242E-01 RMM: 2 -0.328503439788E+03 -0.21676E-01 -0.12387E-01 4948 0.815E-01 0.128E+00 RMM: 3 -0.328492102950E+03 0.11337E-01 -0.14130E-02 5626 0.250E-01 0.238E-01 RMM: 4 -0.328491623524E+03 0.47943E-03 -0.11104E-03 4846 0.693E-02 0.916E-02 RMM: 5 -0.328491576782E+03 0.46742E-04 -0.14909E-04 3892 0.305E-02 0.824E-02 RMM: 6 -0.328491533190E+03 0.43592E-04 -0.35350E-05 2930 0.179E-02 0.413E-02 RMM: 7 -0.328491538628E+03 -0.54375E-05 -0.25775E-05 2579 0.145E-02 3846 T= 6394. E= 0.67515919E+03 F= 0.62777745E+03 E0= 0.65642470E+03 EK= 0.52066E+02 SP= -.47E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327879408764E+03 0.61212E+00 -0.12154E-01 8296 0.234E+01 0.188E-01 RMM: 2 -0.327894345407E+03 -0.14937E-01 -0.10972E-01 4946 0.762E-01 0.879E-01 RMM: 3 -0.327888672072E+03 0.56733E-02 -0.11986E-02 5750 0.220E-01 0.145E-01 RMM: 4 -0.327888463971E+03 0.20810E-03 -0.73655E-04 5004 0.559E-02 0.973E-02 RMM: 5 -0.327888413039E+03 0.50932E-04 -0.95907E-05 3690 0.267E-02 0.687E-02 RMM: 6 -0.327888385933E+03 0.27107E-04 -0.26261E-05 2603 0.157E-02 0.345E-02 RMM: 7 -0.327888389547E+03 -0.36144E-05 -0.14162E-05 2496 0.117E-02 3847 T= 6334. E= 0.67516401E+03 F= 0.62838060E+03 E0= 0.65702449E+03 EK= 0.51579E+02 SP= -.48E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327305168252E+03 0.58322E+00 -0.12352E-01 7880 0.232E+01 0.171E-01 RMM: 2 -0.327321513933E+03 -0.16346E-01 -0.13784E-01 4790 0.861E-01 0.758E-01 RMM: 3 -0.327317362842E+03 0.41511E-02 -0.15737E-02 6085 0.225E-01 0.148E-01 RMM: 4 -0.327317004691E+03 0.35815E-03 -0.70384E-04 4723 0.639E-02 0.111E-01 RMM: 5 -0.327316934767E+03 0.69924E-04 -0.10479E-04 3652 0.287E-02 0.674E-02 RMM: 6 -0.327316910374E+03 0.24393E-04 -0.28522E-05 2647 0.164E-02 0.347E-02 RMM: 7 -0.327316914387E+03 -0.40136E-05 -0.17483E-05 2509 0.128E-02 3848 T= 6278. E= 0.67516732E+03 F= 0.62895207E+03 E0= 0.65758471E+03 EK= 0.51128E+02 SP= -.49E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326808649877E+03 0.50826E+00 -0.11685E-01 7920 0.231E+01 0.158E-01 RMM: 2 -0.326821400291E+03 -0.12750E-01 -0.11013E-01 4948 0.763E-01 0.646E-01 RMM: 3 -0.326818165861E+03 0.32344E-02 -0.11916E-02 5993 0.203E-01 0.110E-01 RMM: 4 -0.326817982847E+03 0.18301E-03 -0.52920E-04 4747 0.518E-02 0.110E-01 RMM: 5 -0.326817909111E+03 0.73736E-04 -0.76247E-05 3487 0.252E-02 0.611E-02 RMM: 6 -0.326817891536E+03 0.17574E-04 -0.24956E-05 2554 0.153E-02 3849 T= 6233. E= 0.67516920E+03 F= 0.62945110E+03 E0= 0.65806634E+03 EK= 0.50754E+02 SP= -.51E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326401443647E+03 0.41647E+00 -0.12085E-01 7872 0.231E+01 0.184E-01 RMM: 2 -0.326417993054E+03 -0.16549E-01 -0.11457E-01 4847 0.785E-01 0.953E-01 RMM: 3 -0.326411379448E+03 0.66136E-02 -0.12863E-02 5671 0.227E-01 0.169E-01 RMM: 4 -0.326411097193E+03 0.28225E-03 -0.77387E-04 4929 0.586E-02 0.838E-02 RMM: 5 -0.326411060709E+03 0.36484E-04 -0.96587E-05 3820 0.261E-02 0.651E-02 RMM: 6 -0.326411041923E+03 0.18787E-04 -0.23836E-05 2563 0.146E-02 3850 T= 6199. E= 0.67516940E+03 F= 0.62985795E+03 E0= 0.65845195E+03 EK= 0.50480E+02 SP= -.52E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326087512240E+03 0.32355E+00 -0.11087E-01 7848 0.231E+01 0.266E-01 RMM: 2 -0.326111183164E+03 -0.23671E-01 -0.95292E-02 5021 0.730E-01 0.151E+00 RMM: 3 -0.326095119962E+03 0.16063E-01 -0.12278E-02 5417 0.255E-01 0.257E-01 RMM: 4 -0.326094642141E+03 0.47782E-03 -0.12600E-03 4712 0.728E-02 0.758E-02 RMM: 5 -0.326094628660E+03 0.13481E-04 -0.14293E-04 4179 0.281E-02 3851 T= 6178. E= 0.67516971E+03 F= 0.63017436E+03 E0= 0.65874584E+03 EK= 0.50307E+02 SP= -.54E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325847164612E+03 0.24748E+00 -0.11011E-01 7872 0.232E+01 0.189E-01 RMM: 2 -0.325861818866E+03 -0.14654E-01 -0.89847E-02 5139 0.682E-01 0.980E-01 RMM: 3 -0.325854745114E+03 0.70738E-02 -0.91196E-03 5466 0.205E-01 0.218E-01 RMM: 4 -0.325854401883E+03 0.34323E-03 -0.80073E-04 4749 0.594E-02 0.762E-02 RMM: 5 -0.325854374162E+03 0.27722E-04 -0.89460E-05 3837 0.236E-02 0.676E-02 RMM: 6 -0.325854358475E+03 0.15687E-04 -0.20221E-05 2548 0.134E-02 3852 T= 6167. E= 0.67516970E+03 F= 0.63041463E+03 E0= 0.65896470E+03 EK= 0.50222E+02 SP= -.55E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325666247441E+03 0.18813E+00 -0.11152E-01 7680 0.233E+01 0.315E-01 RMM: 2 -0.325694374695E+03 -0.28127E-01 -0.10488E-01 4896 0.774E-01 0.171E+00 RMM: 3 -0.325674598488E+03 0.19776E-01 -0.15023E-02 5393 0.287E-01 0.322E-01 RMM: 4 -0.325673881414E+03 0.71707E-03 -0.16428E-03 4814 0.825E-02 0.974E-02 RMM: 5 -0.325673890367E+03 -0.89537E-05 -0.22132E-04 3906 0.362E-02 0.112E-01 RMM: 6 -0.325673811609E+03 0.78758E-04 -0.53909E-05 3231 0.218E-02 0.409E-02 RMM: 7 -0.325673808583E+03 0.30262E-05 -0.15609E-05 2507 0.124E-02 3853 T= 6165. E= 0.67516934E+03 F= 0.63059518E+03 E0= 0.65912791E+03 EK= 0.50207E+02 SP= -.57E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325534756943E+03 0.13905E+00 -0.11351E-01 7792 0.234E+01 0.308E-01 RMM: 2 -0.325563838338E+03 -0.29081E-01 -0.10732E-01 5060 0.772E-01 0.173E+00 RMM: 3 -0.325543273907E+03 0.20564E-01 -0.14245E-02 5379 0.278E-01 0.339E-01 RMM: 4 -0.325542493975E+03 0.77993E-03 -0.16713E-03 4846 0.854E-02 0.103E-01 RMM: 5 -0.325542504415E+03 -0.10440E-04 -0.25165E-04 3914 0.391E-02 0.121E-01 RMM: 6 -0.325542404726E+03 0.99689E-04 -0.74187E-05 3482 0.251E-02 0.337E-02 RMM: 7 -0.325542403726E+03 0.10000E-05 -0.15304E-05 2517 0.118E-02 3854 T= 6171. E= 0.67517018E+03 F= 0.63072659E+03 E0= 0.65924788E+03 EK= 0.50255E+02 SP= -.59E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325453967464E+03 0.88437E-01 -0.11853E-01 7864 0.235E+01 0.257E-01 RMM: 2 -0.325473637264E+03 -0.19670E-01 -0.10968E-01 5065 0.780E-01 0.123E+00 RMM: 3 -0.325462859619E+03 0.10778E-01 -0.13128E-02 5473 0.250E-01 0.226E-01 RMM: 4 -0.325462473585E+03 0.38603E-03 -0.11918E-03 4942 0.670E-02 0.852E-02 RMM: 5 -0.325462443980E+03 0.29605E-04 -0.14101E-04 3850 0.310E-02 0.858E-02 RMM: 6 -0.325462395598E+03 0.48383E-04 -0.31779E-05 2841 0.170E-02 0.381E-02 RMM: 7 -0.325462397068E+03 -0.14706E-05 -0.16732E-05 2505 0.128E-02 3855 T= 6185. E= 0.67517133E+03 F= 0.63080659E+03 E0= 0.65932322E+03 EK= 0.50367E+02 SP= -.61E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325437767749E+03 0.24628E-01 -0.12122E-01 7904 0.236E+01 0.224E-01 RMM: 2 -0.325453885725E+03 -0.16118E-01 -0.11044E-01 4956 0.784E-01 0.989E-01 RMM: 3 -0.325446985543E+03 0.69002E-02 -0.12802E-02 5654 0.231E-01 0.218E-01 RMM: 4 -0.325446561088E+03 0.42445E-03 -0.90985E-04 4909 0.626E-02 0.805E-02 RMM: 5 -0.325446544185E+03 0.16904E-04 -0.12883E-04 3849 0.293E-02 3856 T= 6208. E= 0.67517309E+03 F= 0.63082245E+03 E0= 0.65934200E+03 EK= 0.50556E+02 SP= -.63E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325501176251E+03 -0.54615E-01 -0.12381E-01 7848 0.236E+01 0.157E-01 RMM: 2 -0.325514495023E+03 -0.13319E-01 -0.11498E-01 5005 0.781E-01 0.657E-01 RMM: 3 -0.325511338789E+03 0.31562E-02 -0.12771E-02 6108 0.202E-01 0.156E-01 RMM: 4 -0.325510951137E+03 0.38765E-03 -0.52284E-04 4695 0.521E-02 0.857E-02 RMM: 5 -0.325510905808E+03 0.45329E-04 -0.70091E-05 3435 0.229E-02 0.718E-02 RMM: 6 -0.325510889497E+03 0.16311E-04 -0.23669E-05 2542 0.147E-02 3857 T= 6243. E= 0.67517402E+03 F= 0.63075810E+03 E0= 0.65928676E+03 EK= 0.50836E+02 SP= -.65E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325654009626E+03 -0.14310E+00 -0.12682E-01 7824 0.237E+01 0.329E-01 RMM: 2 -0.325684992951E+03 -0.30983E-01 -0.12863E-01 4838 0.856E-01 0.174E+00 RMM: 3 -0.325664230362E+03 0.20763E-01 -0.17209E-02 5415 0.297E-01 0.332E-01 RMM: 4 -0.325663405918E+03 0.82444E-03 -0.18552E-03 4922 0.874E-02 0.876E-02 RMM: 5 -0.325663468050E+03 -0.62132E-04 -0.26917E-04 3909 0.382E-02 0.131E-01 RMM: 6 -0.325663359035E+03 0.10901E-03 -0.69977E-05 3453 0.237E-02 0.445E-02 RMM: 7 -0.325663350406E+03 0.86290E-05 -0.18300E-05 2519 0.133E-02 3858 T= 6289. E= 0.67517322E+03 F= 0.63060564E+03 E0= 0.65914860E+03 EK= 0.51213E+02 SP= -.68E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325881100697E+03 -0.21774E+00 -0.13119E-01 7776 0.238E+01 0.317E-01 RMM: 2 -0.325917226017E+03 -0.36125E-01 -0.13036E-01 4913 0.870E-01 0.191E+00 RMM: 3 -0.325891584915E+03 0.25641E-01 -0.17493E-02 5423 0.301E-01 0.279E-01 RMM: 4 -0.325891024780E+03 0.56014E-03 -0.18270E-03 4875 0.864E-02 0.121E-01 RMM: 5 -0.325890973021E+03 0.51759E-04 -0.24142E-04 3901 0.380E-02 0.105E-01 RMM: 6 -0.325890893726E+03 0.79294E-04 -0.61742E-05 3347 0.223E-02 0.438E-02 RMM: 7 -0.325890889293E+03 0.44334E-05 -0.22491E-05 2549 0.144E-02 3859 T= 6345. E= 0.67517072E+03 F= 0.63037810E+03 E0= 0.65893677E+03 EK= 0.51673E+02 SP= -.70E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326146540559E+03 -0.25565E+00 -0.13497E-01 7880 0.239E+01 0.248E-01 RMM: 2 -0.326168880449E+03 -0.22340E-01 -0.11653E-01 4812 0.810E-01 0.134E+00 RMM: 3 -0.326156337905E+03 0.12543E-01 -0.14381E-02 5502 0.259E-01 0.271E-01 RMM: 4 -0.326155753791E+03 0.58411E-03 -0.12960E-03 4815 0.746E-02 0.774E-02 RMM: 5 -0.326155744997E+03 0.87942E-05 -0.18003E-04 3931 0.326E-02 3860 T= 6407. E= 0.67516755E+03 F= 0.63011324E+03 E0= 0.65868780E+03 EK= 0.52178E+02 SP= -.72E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326394239338E+03 -0.23849E+00 -0.13637E-01 8056 0.240E+01 0.149E-01 RMM: 2 -0.326408278233E+03 -0.14039E-01 -0.11292E-01 4826 0.781E-01 0.731E-01 RMM: 3 -0.326404342108E+03 0.39361E-02 -0.13389E-02 6133 0.209E-01 0.140E-01 RMM: 4 -0.326404000957E+03 0.34115E-03 -0.52406E-04 4636 0.534E-02 0.947E-02 RMM: 5 -0.326403939481E+03 0.61475E-04 -0.77877E-05 3545 0.265E-02 0.621E-02 RMM: 6 -0.326403931707E+03 0.77743E-05 -0.30259E-05 2584 0.160E-02 3861 T= 6468. E= 0.67516398E+03 F= 0.62986506E+03 E0= 0.65845279E+03 EK= 0.52672E+02 SP= -.75E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326564893378E+03 -0.16095E+00 -0.13746E-01 7816 0.241E+01 0.245E-01 RMM: 2 -0.326589178340E+03 -0.24285E-01 -0.12875E-01 4671 0.850E-01 0.136E+00 RMM: 3 -0.326575931839E+03 0.13247E-01 -0.16350E-02 5502 0.270E-01 0.227E-01 RMM: 4 -0.326575526574E+03 0.40526E-03 -0.14347E-03 4988 0.763E-02 0.953E-02 RMM: 5 -0.326575514143E+03 0.12432E-04 -0.19280E-04 3955 0.332E-02 3862 T= 6520. E= 0.67516165E+03 F= 0.62969348E+03 E0= 0.65829037E+03 EK= 0.53093E+02 SP= -.78E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326609574066E+03 -0.34047E-01 -0.12920E-01 7680 0.242E+01 0.283E-01 RMM: 2 -0.326642494514E+03 -0.32920E-01 -0.12763E-01 4795 0.855E-01 0.179E+00 RMM: 3 -0.326620000111E+03 0.22494E-01 -0.16950E-02 5442 0.289E-01 0.234E-01 RMM: 4 -0.326619579430E+03 0.42068E-03 -0.16268E-03 5022 0.784E-02 0.955E-02 RMM: 5 -0.326619537879E+03 0.41551E-04 -0.17942E-04 4149 0.323E-02 0.900E-02 RMM: 6 -0.326619491616E+03 0.46263E-04 -0.38902E-05 2879 0.184E-02 0.521E-02 RMM: 7 -0.326619504028E+03 -0.12413E-04 -0.36409E-05 2832 0.175E-02 3863 T= 6556. E= 0.67516163E+03 F= 0.62964949E+03 E0= 0.65825106E+03 EK= 0.53391E+02 SP= -.80E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326495460061E+03 0.12403E+00 -0.14010E-01 7504 0.242E+01 0.216E-01 RMM: 2 -0.326517264528E+03 -0.21804E-01 -0.15457E-01 4654 0.931E-01 0.105E+00 RMM: 3 -0.326509065547E+03 0.81990E-02 -0.18706E-02 5813 0.256E-01 0.201E-01 RMM: 4 -0.326508574269E+03 0.49128E-03 -0.10989E-03 5003 0.719E-02 0.900E-02 RMM: 5 -0.326508555862E+03 0.18407E-04 -0.15964E-04 3980 0.310E-02 3864 T= 6574. E= 0.67516324E+03 F= 0.62976043E+03 E0= 0.65836270E+03 EK= 0.53534E+02 SP= -.83E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326229996228E+03 0.27858E+00 -0.12445E-01 7696 0.242E+01 0.150E-01 RMM: 2 -0.326245944520E+03 -0.15948E-01 -0.13155E-01 4788 0.841E-01 0.744E-01 RMM: 3 -0.326241848702E+03 0.40958E-02 -0.15966E-02 6282 0.219E-01 0.155E-01 RMM: 4 -0.326241402931E+03 0.44577E-03 -0.63281E-04 4656 0.604E-02 0.804E-02 RMM: 5 -0.326241357972E+03 0.44959E-04 -0.85982E-05 3681 0.263E-02 0.634E-02 RMM: 6 -0.326241343923E+03 0.14050E-04 -0.24948E-05 2552 0.150E-02 3865 T= 6572. E= 0.67516662E+03 F= 0.63002765E+03 E0= 0.65862718E+03 EK= 0.53519E+02 SP= -.85E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325827098194E+03 0.41426E+00 -0.13778E-01 7664 0.242E+01 0.243E-01 RMM: 2 -0.325852697994E+03 -0.25600E-01 -0.15769E-01 4667 0.948E-01 0.129E+00 RMM: 3 -0.325840770092E+03 0.11928E-01 -0.19013E-02 5594 0.277E-01 0.232E-01 RMM: 4 -0.325840260045E+03 0.51005E-03 -0.14551E-03 5416 0.742E-02 0.709E-02 RMM: 5 -0.325840245140E+03 0.14905E-04 -0.16201E-04 4102 0.301E-02 3866 T= 6554. E= 0.67517016E+03 F= 0.63042874E+03 E0= 0.65902487E+03 EK= 0.53368E+02 SP= -.87E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325328019665E+03 0.51224E+00 -0.11862E-01 7792 0.241E+01 0.230E-01 RMM: 2 -0.325349260791E+03 -0.21241E-01 -0.10982E-01 4802 0.791E-01 0.130E+00 RMM: 3 -0.325337288227E+03 0.11973E-01 -0.13619E-02 5460 0.252E-01 0.235E-01 RMM: 4 -0.325336869244E+03 0.41898E-03 -0.11692E-03 4827 0.707E-02 0.858E-02 RMM: 5 -0.325336847606E+03 0.21638E-04 -0.14789E-04 4096 0.298E-02 0.830E-02 RMM: 6 -0.325336809215E+03 0.38391E-04 -0.29413E-05 2620 0.159E-02 0.493E-02 RMM: 7 -0.325336821342E+03 -0.12128E-04 -0.28993E-05 2703 0.162E-02 3867 T= 6522. E= 0.67517350E+03 F= 0.63093217E+03 E0= 0.65952567E+03 EK= 0.53112E+02 SP= -.90E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324754382422E+03 0.58243E+00 -0.11492E-01 7728 0.241E+01 0.220E-01 RMM: 2 -0.324769894629E+03 -0.15512E-01 -0.97275E-02 4720 0.754E-01 0.104E+00 RMM: 3 -0.324762433869E+03 0.74608E-02 -0.11693E-02 5601 0.222E-01 0.194E-01 RMM: 4 -0.324762157370E+03 0.27650E-03 -0.91862E-04 4693 0.677E-02 0.113E-01 RMM: 5 -0.324762144200E+03 0.13170E-04 -0.15850E-04 3858 0.316E-02 3868 T= 6481. E= 0.67517630E+03 F= 0.63150685E+03 E0= 0.66010059E+03 EK= 0.52781E+02 SP= -.92E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324129949205E+03 0.63221E+00 -0.11208E-01 7880 0.241E+01 0.163E-01 RMM: 2 -0.324142108130E+03 -0.12159E-01 -0.91833E-02 4983 0.728E-01 0.784E-01 RMM: 3 -0.324137809771E+03 0.42984E-02 -0.10390E-02 5822 0.194E-01 0.165E-01 RMM: 4 -0.324137495112E+03 0.31466E-03 -0.53429E-04 4773 0.516E-02 0.713E-02 RMM: 5 -0.324137461690E+03 0.33422E-04 -0.79558E-05 3567 0.245E-02 0.671E-02 RMM: 6 -0.324137443185E+03 0.18505E-04 -0.26904E-05 2580 0.154E-02 3869 T= 6435. E= 0.67517861E+03 F= 0.63213155E+03 E0= 0.66072830E+03 EK= 0.52399E+02 SP= -.95E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323467418594E+03 0.67004E+00 -0.11073E-01 7680 0.241E+01 0.231E-01 RMM: 2 -0.323486715536E+03 -0.19297E-01 -0.83306E-02 4819 0.694E-01 0.134E+00 RMM: 3 -0.323474342881E+03 0.12373E-01 -0.11217E-02 5401 0.238E-01 0.237E-01 RMM: 4 -0.323473962782E+03 0.38010E-03 -0.10768E-03 4781 0.650E-02 0.820E-02 RMM: 5 -0.323473940161E+03 0.22621E-04 -0.13120E-04 3836 0.302E-02 0.785E-02 RMM: 6 -0.323473904328E+03 0.35833E-04 -0.30778E-05 2775 0.160E-02 0.480E-02 RMM: 7 -0.323473917113E+03 -0.12784E-04 -0.30779E-05 2686 0.172E-02 3870 T= 6383. E= 0.67517900E+03 F= 0.63279507E+03 E0= 0.66139838E+03 EK= 0.51977E+02 SP= -.97E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322770877051E+03 0.70303E+00 -0.10775E-01 7560 0.241E+01 0.339E-01 RMM: 2 -0.322799798752E+03 -0.28922E-01 -0.94244E-02 5016 0.772E-01 0.180E+00 RMM: 3 -0.322777490277E+03 0.22308E-01 -0.13758E-02 5380 0.285E-01 0.349E-01 RMM: 4 -0.322776607237E+03 0.88304E-03 -0.17156E-03 4869 0.885E-02 0.911E-02 RMM: 5 -0.322776718962E+03 -0.11173E-03 -0.26385E-04 3884 0.386E-02 0.161E-01 RMM: 6 -0.322776545341E+03 0.17362E-03 -0.84082E-05 3585 0.271E-02 0.391E-02 RMM: 7 -0.322776537294E+03 0.80476E-05 -0.16612E-05 2525 0.120E-02 3871 T= 6327. E= 0.67518018E+03 F= 0.63349245E+03 E0= 0.66210442E+03 EK= 0.51524E+02 SP= -.10E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322050215360E+03 0.72633E+00 -0.10548E-01 7656 0.240E+01 0.258E-01 RMM: 2 -0.322068836131E+03 -0.18621E-01 -0.77790E-02 5200 0.674E-01 0.136E+00 RMM: 3 -0.322056269975E+03 0.12566E-01 -0.97441E-03 5389 0.226E-01 0.255E-01 RMM: 4 -0.322055789529E+03 0.48045E-03 -0.10332E-03 4680 0.652E-02 0.885E-02 RMM: 5 -0.322055759044E+03 0.30484E-04 -0.13873E-04 3854 0.304E-02 0.821E-02 RMM: 6 -0.322055713515E+03 0.45529E-04 -0.33227E-05 2872 0.176E-02 0.399E-02 RMM: 7 -0.322055717119E+03 -0.36036E-05 -0.18241E-05 2518 0.128E-02 3872 T= 6269. E= 0.67518224E+03 F= 0.63421327E+03 E0= 0.66283420E+03 EK= 0.51053E+02 SP= -.10E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321329335247E+03 0.72638E+00 -0.10515E-01 7888 0.239E+01 0.214E-01 RMM: 2 -0.321343031716E+03 -0.13696E-01 -0.80139E-02 5021 0.681E-01 0.103E+00 RMM: 3 -0.321335717738E+03 0.73140E-02 -0.94085E-03 5512 0.208E-01 0.198E-01 RMM: 4 -0.321335408200E+03 0.30954E-03 -0.79672E-04 4745 0.587E-02 0.790E-02 RMM: 5 -0.321335399458E+03 0.87418E-05 -0.10764E-04 3786 0.271E-02 3873 T= 6212. E= 0.67518588E+03 F= 0.63493359E+03 E0= 0.66356262E+03 EK= 0.50590E+02 SP= -.10E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320650038699E+03 0.68537E+00 -0.11039E-01 7592 0.238E+01 0.170E-01 RMM: 2 -0.320662936912E+03 -0.12898E-01 -0.91225E-02 5049 0.712E-01 0.861E-01 RMM: 3 -0.320657944042E+03 0.49929E-02 -0.10256E-02 5823 0.190E-01 0.172E-01 RMM: 4 -0.320657609167E+03 0.33487E-03 -0.57919E-04 4616 0.541E-02 0.924E-02 RMM: 5 -0.320657555032E+03 0.54135E-04 -0.82873E-05 3692 0.241E-02 0.726E-02 RMM: 6 -0.320657532693E+03 0.22340E-04 -0.23391E-05 2539 0.145E-02 0.573E-02 RMM: 7 -0.320657542602E+03 -0.99092E-05 -0.72399E-05 3752 0.203E-02 3874 T= 6162. E= 0.67519065E+03 F= 0.63561145E+03 E0= 0.66424628E+03 EK= 0.50180E+02 SP= -.11E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320072719077E+03 0.58481E+00 -0.11486E-01 7696 0.236E+01 0.205E-01 RMM: 2 -0.320085230820E+03 -0.12512E-01 -0.99378E-02 4899 0.744E-01 0.775E-01 RMM: 3 -0.320081004844E+03 0.42260E-02 -0.11527E-02 5853 0.197E-01 0.166E-01 RMM: 4 -0.320080794971E+03 0.20987E-03 -0.78698E-04 4704 0.655E-02 0.154E-01 RMM: 5 -0.320080674891E+03 0.12008E-03 -0.14475E-04 3769 0.312E-02 0.804E-02 RMM: 6 -0.320080634851E+03 0.40040E-04 -0.34102E-05 2972 0.181E-02 0.249E-02 RMM: 7 -0.320080642538E+03 -0.76869E-05 -0.14717E-05 2494 0.117E-02 3875 T= 6125. E= 0.67519584E+03 F= 0.63618835E+03 E0= 0.66482664E+03 EK= 0.49880E+02 SP= -.11E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319666239009E+03 0.41440E+00 -0.10906E-01 7608 0.235E+01 0.164E-01 RMM: 2 -0.319678150327E+03 -0.11911E-01 -0.96556E-02 4966 0.735E-01 0.725E-01 RMM: 3 -0.319674614670E+03 0.35357E-02 -0.11161E-02 5986 0.188E-01 0.140E-01 RMM: 4 -0.319674329278E+03 0.28539E-03 -0.53271E-04 4538 0.555E-02 0.118E-01 RMM: 5 -0.319674226896E+03 0.10238E-03 -0.91498E-05 3625 0.274E-02 0.568E-02 RMM: 6 -0.319674212532E+03 0.14363E-04 -0.22251E-05 2540 0.134E-02 3876 T= 6111. E= 0.67520101E+03 F= 0.63659478E+03 E0= 0.66523432E+03 EK= 0.49764E+02 SP= -.11E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319498887806E+03 0.17534E+00 -0.10981E-01 7640 0.233E+01 0.189E-01 RMM: 2 -0.319515434822E+03 -0.16547E-01 -0.98490E-02 4807 0.741E-01 0.106E+00 RMM: 3 -0.319507468134E+03 0.79667E-02 -0.11879E-02 5587 0.218E-01 0.179E-01 RMM: 4 -0.319507166503E+03 0.30163E-03 -0.78006E-04 4874 0.578E-02 0.784E-02 RMM: 5 -0.319507133825E+03 0.32678E-04 -0.99850E-05 3800 0.270E-02 0.656E-02 RMM: 6 -0.319507110994E+03 0.22831E-04 -0.24223E-05 2560 0.140E-02 0.493E-02 RMM: 7 -0.319507132840E+03 -0.21846E-04 -0.48597E-05 3165 0.200E-02 0.831E-02 RMM: 8 -0.319507085220E+03 0.47620E-04 -0.54830E-05 3197 0.180E-02 0.311E-02 RMM: 9 -0.319507081144E+03 0.40757E-05 -0.13591E-05 2475 0.109E-02 3877 T= 6128. E= 0.67520484E+03 F= 0.63676191E+03 E0= 0.66540169E+03 EK= 0.49900E+02 SP= -.12E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319628748664E+03 -0.12166E+00 -0.10634E-01 7528 0.232E+01 0.254E-01 RMM: 2 -0.319645480628E+03 -0.16732E-01 -0.99495E-02 4766 0.777E-01 0.113E+00 RMM: 3 -0.319636715733E+03 0.87649E-02 -0.12661E-02 5578 0.232E-01 0.217E-01 RMM: 4 -0.319636467097E+03 0.24864E-03 -0.12468E-03 4774 0.812E-02 0.172E-01 RMM: 5 -0.319636320320E+03 0.14678E-03 -0.21353E-04 3876 0.370E-02 0.105E-01 RMM: 6 -0.319636247998E+03 0.72322E-04 -0.48860E-05 3185 0.210E-02 0.279E-02 RMM: 7 -0.319636250031E+03 -0.20333E-05 -0.17473E-05 2508 0.125E-02 3878 T= 6182. E= 0.67520692E+03 F= 0.63663274E+03 E0= 0.66527315E+03 EK= 0.50345E+02 SP= -.12E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320088163948E+03 -0.45192E+00 -0.10195E-01 7456 0.232E+01 0.166E-01 RMM: 2 -0.320100866943E+03 -0.12703E-01 -0.80940E-02 4886 0.682E-01 0.890E-01 RMM: 3 -0.320095202395E+03 0.56645E-02 -0.97132E-03 5622 0.197E-01 0.159E-01 RMM: 4 -0.320094961368E+03 0.24103E-03 -0.58418E-04 4712 0.519E-02 0.678E-02 RMM: 5 -0.320094936253E+03 0.25115E-04 -0.76142E-05 3572 0.243E-02 0.595E-02 RMM: 6 -0.320094916534E+03 0.19720E-04 -0.21197E-05 2533 0.135E-02 3879 T= 6279. E= 0.67520693E+03 F= 0.63617407E+03 E0= 0.66481653E+03 EK= 0.51134E+02 SP= -.12E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320876728684E+03 -0.78179E+00 -0.10170E-01 7512 0.234E+01 0.188E-01 RMM: 2 -0.320890666141E+03 -0.13937E-01 -0.84669E-02 4832 0.697E-01 0.987E-01 RMM: 3 -0.320884004704E+03 0.66614E-02 -0.10383E-02 5513 0.214E-01 0.177E-01 RMM: 4 -0.320883756096E+03 0.24861E-03 -0.75846E-04 5022 0.539E-02 0.774E-02 RMM: 5 -0.320883716057E+03 0.40039E-04 -0.82258E-05 3615 0.262E-02 0.618E-02 RMM: 6 -0.320883700542E+03 0.15515E-04 -0.22451E-05 2547 0.137E-02 3880 T= 6418. E= 0.67520402E+03 F= 0.63538529E+03 E0= 0.66403251E+03 EK= 0.52264E+02 SP= -.13E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321956754847E+03 -0.10730E+01 -0.10549E-01 7264 0.236E+01 0.316E-01 RMM: 2 -0.321984332269E+03 -0.27577E-01 -0.10805E-01 4782 0.816E-01 0.165E+00 RMM: 3 -0.321965488194E+03 0.18844E-01 -0.16256E-02 5371 0.300E-01 0.344E-01 RMM: 4 -0.321964618893E+03 0.86930E-03 -0.17709E-03 4956 0.868E-02 0.711E-02 RMM: 5 -0.321964621129E+03 -0.22357E-05 -0.21283E-04 4150 0.311E-02 0.920E-02 RMM: 6 -0.321964565055E+03 0.56074E-04 -0.31428E-05 2671 0.168E-02 0.407E-02 RMM: 7 -0.321964567954E+03 -0.28990E-05 -0.19668E-05 2521 0.137E-02 3881 T= 6594. E= 0.67519824E+03 F= 0.63430442E+03 E0= 0.66296021E+03 EK= 0.53695E+02 SP= -.13E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323251005991E+03 -0.12864E+01 -0.11081E-01 7280 0.240E+01 0.254E-01 RMM: 2 -0.323274022766E+03 -0.23017E-01 -0.12356E-01 4772 0.854E-01 0.134E+00 RMM: 3 -0.323261578879E+03 0.12444E-01 -0.15549E-02 5465 0.266E-01 0.252E-01 RMM: 4 -0.323261115962E+03 0.46292E-03 -0.14124E-03 4852 0.786E-02 0.105E-01 RMM: 5 -0.323261115769E+03 0.19289E-06 -0.20339E-04 3901 0.342E-02 0.115E-01 RMM: 6 -0.323261026914E+03 0.88855E-04 -0.55391E-05 3270 0.215E-02 0.337E-02 RMM: 7 -0.323261029204E+03 -0.22903E-05 -0.20447E-05 2527 0.142E-02 3882 T= 6796. E= 0.67519026E+03 F= 0.63300796E+03 E0= 0.66167604E+03 EK= 0.55346E+02 SP= -.13E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324656963635E+03 -0.13959E+01 -0.11350E-01 7456 0.244E+01 0.219E-01 RMM: 2 -0.324674168674E+03 -0.17205E-01 -0.11238E-01 4855 0.822E-01 0.107E+00 RMM: 3 -0.324666523092E+03 0.76456E-02 -0.13336E-02 5609 0.236E-01 0.215E-01 RMM: 4 -0.324666122744E+03 0.40035E-03 -0.95541E-04 4864 0.667E-02 0.855E-02 RMM: 5 -0.324666094371E+03 0.28373E-04 -0.14799E-04 3845 0.311E-02 0.857E-02 RMM: 6 -0.324666049409E+03 0.44962E-04 -0.35878E-05 2902 0.178E-02 0.405E-02 RMM: 7 -0.324666049109E+03 0.30053E-06 -0.17770E-05 2511 0.131E-02 3883 T= 7012. E= 0.67518177E+03 F= 0.63160294E+03 E0= 0.66028639E+03 EK= 0.57104E+02 SP= -.14E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326046930282E+03 -0.13809E+01 -0.11995E-01 7504 0.248E+01 0.193E-01 RMM: 2 -0.326063231818E+03 -0.16302E-01 -0.12466E-01 4837 0.859E-01 0.894E-01 RMM: 3 -0.326057933068E+03 0.52988E-02 -0.14768E-02 5840 0.226E-01 0.184E-01 RMM: 4 -0.326057525037E+03 0.40803E-03 -0.78429E-04 4831 0.642E-02 0.973E-02 RMM: 5 -0.326057467326E+03 0.57711E-04 -0.12677E-04 3795 0.306E-02 0.704E-02 RMM: 6 -0.326057441263E+03 0.26063E-04 -0.30705E-05 2693 0.165E-02 0.419E-02 RMM: 7 -0.326057438355E+03 0.29081E-05 -0.18930E-05 2514 0.136E-02 3884 T= 7225. E= 0.67517279E+03 F= 0.63021155E+03 E0= 0.65891241E+03 EK= 0.58838E+02 SP= -.14E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327297916484E+03 -0.12405E+01 -0.12183E-01 7480 0.252E+01 0.199E-01 RMM: 2 -0.327312834776E+03 -0.14918E-01 -0.12231E-01 4855 0.864E-01 0.821E-01 RMM: 3 -0.327308588110E+03 0.42467E-02 -0.14495E-02 5908 0.224E-01 0.159E-01 RMM: 4 -0.327308262338E+03 0.32577E-03 -0.77294E-04 4838 0.653E-02 0.129E-01 RMM: 5 -0.327308159252E+03 0.10309E-03 -0.14000E-04 3843 0.327E-02 0.711E-02 RMM: 6 -0.327308130926E+03 0.28326E-04 -0.33247E-05 2799 0.170E-02 0.408E-02 RMM: 7 -0.327308124271E+03 0.66559E-05 -0.20768E-05 2503 0.146E-02 3885 T= 7418. E= 0.67516492E+03 F= 0.62896087E+03 E0= 0.65767929E+03 EK= 0.60411E+02 SP= -.14E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328294498007E+03 -0.98637E+00 -0.12854E-01 7488 0.255E+01 0.205E-01 RMM: 2 -0.328310429246E+03 -0.15931E-01 -0.12779E-01 4864 0.887E-01 0.863E-01 RMM: 3 -0.328305655474E+03 0.47738E-02 -0.15174E-02 5889 0.231E-01 0.167E-01 RMM: 4 -0.328305308622E+03 0.34685E-03 -0.80910E-04 4844 0.660E-02 0.127E-01 RMM: 5 -0.328305212575E+03 0.96047E-04 -0.14014E-04 3841 0.326E-02 0.749E-02 RMM: 6 -0.328305182513E+03 0.30062E-04 -0.33062E-05 2784 0.170E-02 0.439E-02 RMM: 7 -0.328305178494E+03 0.40193E-05 -0.19755E-05 2513 0.139E-02 3886 T= 7576. E= 0.67515805E+03 F= 0.62796381E+03 E0= 0.65669760E+03 EK= 0.61699E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328948206692E+03 -0.64302E+00 -0.13327E-01 7520 0.258E+01 0.199E-01 RMM: 2 -0.328964603183E+03 -0.16396E-01 -0.13535E-01 4799 0.905E-01 0.835E-01 RMM: 3 -0.328960073554E+03 0.45296E-02 -0.16010E-02 5986 0.234E-01 0.169E-01 RMM: 4 -0.328959679771E+03 0.39378E-03 -0.77963E-04 4805 0.672E-02 0.124E-01 RMM: 5 -0.328959584630E+03 0.95142E-04 -0.13305E-04 3823 0.327E-02 0.683E-02 RMM: 6 -0.328959561361E+03 0.23269E-04 -0.30610E-05 2646 0.163E-02 0.416E-02 RMM: 7 -0.328959558249E+03 0.31122E-05 -0.19369E-05 2509 0.137E-02 3887 T= 7688. E= 0.67515378E+03 F= 0.62730943E+03 E0= 0.65605456E+03 EK= 0.62603E+02 SP= -.15E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329207044624E+03 -0.24748E+00 -0.12483E-01 7576 0.259E+01 0.182E-01 RMM: 2 -0.329219171905E+03 -0.12127E-01 -0.10298E-01 4980 0.790E-01 0.717E-01 RMM: 3 -0.329215913941E+03 0.32580E-02 -0.11526E-02 5951 0.201E-01 0.139E-01 RMM: 4 -0.329215683037E+03 0.23090E-03 -0.57442E-04 4690 0.578E-02 0.133E-01 RMM: 5 -0.329215568361E+03 0.11468E-03 -0.10957E-04 3750 0.301E-02 0.639E-02 RMM: 6 -0.329215547508E+03 0.20853E-04 -0.26204E-05 2588 0.153E-02 0.418E-02 RMM: 7 -0.329215540185E+03 0.73225E-05 -0.20877E-05 2509 0.140E-02 3888 T= 7744. E= 0.67515235E+03 F= 0.62705345E+03 E0= 0.65580415E+03 EK= 0.63061E+02 SP= -.15E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329046591851E+03 0.16896E+00 -0.12944E-01 7624 0.260E+01 0.168E-01 RMM: 2 -0.329058213629E+03 -0.11622E-01 -0.10155E-01 4955 0.780E-01 0.664E-01 RMM: 3 -0.329055352497E+03 0.28611E-02 -0.11350E-02 5955 0.200E-01 0.114E-01 RMM: 4 -0.329055172853E+03 0.17964E-03 -0.52563E-04 4689 0.550E-02 0.125E-01 RMM: 5 -0.329055069976E+03 0.10288E-03 -0.91207E-05 3624 0.282E-02 0.582E-02 RMM: 6 -0.329055055220E+03 0.14757E-04 -0.23561E-05 2551 0.142E-02 3889 T= 7742. E= 0.67515404E+03 F= 0.62721393E+03 E0= 0.65596359E+03 EK= 0.63050E+02 SP= -.15E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328491059914E+03 0.56401E+00 -0.13387E-01 7616 0.260E+01 0.198E-01 RMM: 2 -0.328509147264E+03 -0.18087E-01 -0.11019E-01 4838 0.802E-01 0.110E+00 RMM: 3 -0.328500691346E+03 0.84559E-02 -0.13050E-02 5559 0.237E-01 0.187E-01 RMM: 4 -0.328500406835E+03 0.28451E-03 -0.81833E-04 4778 0.617E-02 0.891E-02 RMM: 5 -0.328500354528E+03 0.52308E-04 -0.10775E-04 3872 0.294E-02 0.639E-02 RMM: 6 -0.328500335193E+03 0.19335E-04 -0.24445E-05 2555 0.139E-02 3890 T= 7686. E= 0.67515919E+03 F= 0.62776865E+03 E0= 0.65651122E+03 EK= 0.62591E+02 SP= -.15E+02 SK= 0.58E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327603590718E+03 0.89676E+00 -0.13374E-01 7320 0.259E+01 0.255E-01 RMM: 2 -0.327626208851E+03 -0.22618E-01 -0.10544E-01 4805 0.803E-01 0.140E+00 RMM: 3 -0.327612492922E+03 0.13716E-01 -0.14275E-02 5388 0.274E-01 0.243E-01 RMM: 4 -0.327612095136E+03 0.39779E-03 -0.12727E-03 4818 0.742E-02 0.908E-02 RMM: 5 -0.327612067758E+03 0.27378E-04 -0.15131E-04 3974 0.310E-02 0.913E-02 RMM: 6 -0.327612018242E+03 0.49515E-04 -0.34046E-05 2781 0.177E-02 0.434E-02 RMM: 7 -0.327612022959E+03 -0.47165E-05 -0.20073E-05 2531 0.140E-02 3891 T= 7582. E= 0.67516667E+03 F= 0.62865697E+03 E0= 0.65738682E+03 EK= 0.61747E+02 SP= -.15E+02 SK= 0.21E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326472126510E+03 0.11399E+01 -0.12969E-01 7240 0.257E+01 0.287E-01 RMM: 2 -0.326494159142E+03 -0.22033E-01 -0.11913E-01 4772 0.853E-01 0.134E+00 RMM: 3 -0.326481797264E+03 0.12362E-01 -0.16275E-02 5401 0.292E-01 0.256E-01 RMM: 4 -0.326481368023E+03 0.42924E-03 -0.14204E-03 4837 0.784E-02 0.103E-01 RMM: 5 -0.326481367100E+03 0.92350E-06 -0.18591E-04 3934 0.353E-02 3892 T= 7443. E= 0.67517637E+03 F= 0.62978762E+03 E0= 0.65849943E+03 EK= 0.60614E+02 SP= -.15E+02 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325207693711E+03 0.12737E+01 -0.12984E-01 7464 0.254E+01 0.158E-01 RMM: 2 -0.325224165458E+03 -0.16472E-01 -0.13653E-01 4786 0.875E-01 0.744E-01 RMM: 3 -0.325220051057E+03 0.41144E-02 -0.15894E-02 5924 0.240E-01 0.163E-01 RMM: 4 -0.325219731871E+03 0.31919E-03 -0.64528E-04 4702 0.599E-02 0.894E-02 RMM: 5 -0.325219675451E+03 0.56420E-04 -0.94447E-05 3814 0.281E-02 0.723E-02 RMM: 6 -0.325219661823E+03 0.13628E-04 -0.33576E-05 2656 0.175E-02 3893 T= 7283. E= 0.67518685E+03 F= 0.63104933E+03 E0= 0.65974213E+03 EK= 0.59311E+02 SP= -.15E+02 SK= 0.76E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323931602862E+03 0.12881E+01 -0.14477E-01 7488 0.251E+01 0.326E-01 RMM: 2 -0.323975261387E+03 -0.43659E-01 -0.17179E-01 4649 0.101E+00 0.203E+00 RMM: 3 -0.323945904191E+03 0.29357E-01 -0.23353E-02 5401 0.349E-01 0.270E-01 RMM: 4 -0.323945431886E+03 0.47231E-03 -0.23501E-03 5429 0.894E-02 0.945E-02 RMM: 5 -0.323945413070E+03 0.18815E-04 -0.21481E-04 4050 0.349E-02 0.101E-01 RMM: 6 -0.323945347641E+03 0.65430E-04 -0.41228E-05 3056 0.187E-02 0.424E-02 RMM: 7 -0.323945347929E+03 -0.28858E-06 -0.18949E-05 2517 0.133E-02 3894 T= 7117. E= 0.67519584E+03 F= 0.63232364E+03 E0= 0.66099612E+03 EK= 0.57961E+02 SP= -.15E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322756543552E+03 0.11888E+01 -0.12833E-01 7496 0.249E+01 0.388E-01 RMM: 2 -0.322800049486E+03 -0.43506E-01 -0.14610E-01 4827 0.944E-01 0.215E+00 RMM: 3 -0.322767881005E+03 0.32168E-01 -0.21858E-02 5387 0.353E-01 0.373E-01 RMM: 4 -0.322766891191E+03 0.98981E-03 -0.24943E-03 5247 0.103E-01 0.112E-01 RMM: 5 -0.322766925423E+03 -0.34233E-04 -0.31486E-04 3929 0.393E-02 0.145E-01 RMM: 6 -0.322766782225E+03 0.14320E-03 -0.84634E-05 3564 0.261E-02 0.459E-02 RMM: 7 -0.322766774260E+03 0.79643E-05 -0.18893E-05 2538 0.124E-02 3895 T= 6960. E= 0.67520310E+03 F= 0.63350222E+03 E0= 0.66215536E+03 EK= 0.56681E+02 SP= -.15E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321759515966E+03 0.10073E+01 -0.12917E-01 7560 0.246E+01 0.238E-01 RMM: 2 -0.321782048058E+03 -0.22532E-01 -0.13567E-01 4777 0.886E-01 0.125E+00 RMM: 3 -0.321771169180E+03 0.10879E-01 -0.16194E-02 5557 0.270E-01 0.229E-01 RMM: 4 -0.321770743954E+03 0.42523E-03 -0.11350E-03 4808 0.720E-02 0.930E-02 RMM: 5 -0.321770718983E+03 0.24971E-04 -0.16022E-04 3966 0.339E-02 0.856E-02 RMM: 6 -0.321770672436E+03 0.46548E-04 -0.36719E-05 2929 0.177E-02 0.421E-02 RMM: 7 -0.321770676521E+03 -0.40858E-05 -0.21747E-05 2522 0.149E-02 3896 T= 6823. E= 0.67520891E+03 F= 0.63449831E+03 E0= 0.66313555E+03 EK= 0.55566E+02 SP= -.15E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321010104516E+03 0.76057E+00 -0.12256E-01 7536 0.243E+01 0.215E-01 RMM: 2 -0.321025645698E+03 -0.15541E-01 -0.11193E-01 4952 0.805E-01 0.942E-01 RMM: 3 -0.321019453931E+03 0.61918E-02 -0.12661E-02 5658 0.234E-01 0.180E-01 RMM: 4 -0.321019196658E+03 0.25727E-03 -0.82344E-04 4730 0.624E-02 0.111E-01 RMM: 5 -0.321019143714E+03 0.52943E-04 -0.12390E-04 3838 0.307E-02 0.863E-02 RMM: 6 -0.321019096413E+03 0.47301E-04 -0.34430E-05 2917 0.178E-02 0.371E-02 RMM: 7 -0.321019097356E+03 -0.94257E-06 -0.15772E-05 2494 0.128E-02 3897 T= 6715. E= 0.67521240E+03 F= 0.63524989E+03 E0= 0.66387325E+03 EK= 0.54682E+02 SP= -.15E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320536679471E+03 0.48242E+00 -0.12038E-01 7576 0.241E+01 0.201E-01 RMM: 2 -0.320551782583E+03 -0.15103E-01 -0.10925E-01 4966 0.790E-01 0.921E-01 RMM: 3 -0.320545881341E+03 0.59012E-02 -0.11922E-02 5736 0.224E-01 0.179E-01 RMM: 4 -0.320545601226E+03 0.28011E-03 -0.72440E-04 4728 0.594E-02 0.103E-01 RMM: 5 -0.320545543107E+03 0.58119E-04 -0.10277E-04 3707 0.278E-02 0.738E-02 RMM: 6 -0.320545513048E+03 0.30059E-04 -0.28271E-05 2678 0.161E-02 0.434E-02 RMM: 7 -0.320545515967E+03 -0.29187E-05 -0.22625E-05 2527 0.148E-02 3898 T= 6639. E= 0.67521375E+03 F= 0.63572347E+03 E0= 0.66433623E+03 EK= 0.54068E+02 SP= -.15E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320350218111E+03 0.19529E+00 -0.12180E-01 7936 0.240E+01 0.224E-01 RMM: 2 -0.320368313888E+03 -0.18096E-01 -0.11983E-01 4964 0.826E-01 0.108E+00 RMM: 3 -0.320360313234E+03 0.80007E-02 -0.13745E-02 5663 0.240E-01 0.202E-01 RMM: 4 -0.320359954533E+03 0.35870E-03 -0.92524E-04 4788 0.654E-02 0.991E-02 RMM: 5 -0.320359923436E+03 0.31097E-04 -0.13441E-04 3869 0.307E-02 0.883E-02 RMM: 6 -0.320359876099E+03 0.47337E-04 -0.36924E-05 2988 0.180E-02 0.398E-02 RMM: 7 -0.320359878740E+03 -0.26406E-05 -0.16773E-05 2507 0.131E-02 3899 T= 6599. E= 0.67521391E+03 F= 0.63590911E+03 E0= 0.66451270E+03 EK= 0.53736E+02 SP= -.14E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320446623466E+03 -0.86747E-01 -0.12464E-01 7960 0.239E+01 0.212E-01 RMM: 2 -0.320464073670E+03 -0.17450E-01 -0.12673E-01 4980 0.830E-01 0.978E-01 RMM: 3 -0.320457386533E+03 0.66871E-02 -0.14001E-02 5771 0.236E-01 0.197E-01 RMM: 4 -0.320456997685E+03 0.38885E-03 -0.85877E-04 4848 0.630E-02 0.978E-02 RMM: 5 -0.320456953605E+03 0.44080E-04 -0.11952E-04 3805 0.292E-02 0.789E-02 RMM: 6 -0.320456917287E+03 0.36318E-04 -0.30077E-05 2785 0.165E-02 0.425E-02 RMM: 7 -0.320456921031E+03 -0.37434E-05 -0.22529E-05 2532 0.147E-02 3900 T= 6592. E= 0.67521294E+03 F= 0.63581207E+03 E0= 0.66440704E+03 EK= 0.53683E+02 SP= -.14E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320809925236E+03 -0.35301E+00 -0.12188E-01 8264 0.239E+01 0.220E-01 RMM: 2 -0.320827121420E+03 -0.17196E-01 -0.10953E-01 5040 0.772E-01 0.108E+00 RMM: 3 -0.320819009997E+03 0.81114E-02 -0.11989E-02 5655 0.230E-01 0.206E-01 RMM: 4 -0.320818651539E+03 0.35846E-03 -0.87028E-04 4827 0.620E-02 0.841E-02 RMM: 5 -0.320818637443E+03 0.14095E-04 -0.12447E-04 3815 0.295E-02 3901 T= 6618. E= 0.67521128E+03 F= 0.63545035E+03 E0= 0.66403585E+03 EK= 0.53889E+02 SP= -.14E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321403452129E+03 -0.58480E+00 -0.12643E-01 8408 0.239E+01 0.145E-01 RMM: 2 -0.321415202114E+03 -0.11750E-01 -0.10135E-01 5414 0.703E-01 0.615E-01 RMM: 3 -0.321411950927E+03 0.32512E-02 -0.77430E-03 6017 0.172E-01 0.149E-01 RMM: 4 -0.321411733112E+03 0.21782E-03 -0.38676E-04 4363 0.427E-02 0.908E-02 RMM: 5 -0.321411688894E+03 0.44218E-04 -0.51408E-05 3151 0.211E-02 0.769E-02 RMM: 6 -0.321411676144E+03 0.12750E-04 -0.30674E-05 2616 0.165E-02 3902 T= 6671. E= 0.67520868E+03 F= 0.63485731E+03 E0= 0.66343114E+03 EK= 0.54321E+02 SP= -.14E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322185197304E+03 -0.77351E+00 -0.12873E-01 8128 0.240E+01 0.382E-01 RMM: 2 -0.322228438189E+03 -0.43241E-01 -0.12232E-01 5005 0.834E-01 0.224E+00 RMM: 3 -0.322194305091E+03 0.34133E-01 -0.19321E-02 5380 0.336E-01 0.341E-01 RMM: 4 -0.322193464911E+03 0.84018E-03 -0.21588E-03 5068 0.924E-02 0.939E-02 RMM: 5 -0.322193501458E+03 -0.36546E-04 -0.26186E-04 3920 0.375E-02 0.127E-01 RMM: 6 -0.322193400331E+03 0.10113E-03 -0.60446E-05 3346 0.224E-02 0.474E-02 RMM: 7 -0.322193392496E+03 0.78354E-05 -0.17650E-05 2518 0.128E-02 3903 T= 6746. E= 0.67520502E+03 F= 0.63407560E+03 E0= 0.66263560E+03 EK= 0.54932E+02 SP= -.14E+02 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323106797220E+03 -0.91340E+00 -0.12553E-01 8064 0.242E+01 0.389E-01 RMM: 2 -0.323156082731E+03 -0.49286E-01 -0.12206E-01 5172 0.827E-01 0.239E+00 RMM: 3 -0.323115750845E+03 0.40332E-01 -0.18996E-02 5371 0.339E-01 0.351E-01 RMM: 4 -0.323114856054E+03 0.89479E-03 -0.22700E-03 5091 0.981E-02 0.122E-01 RMM: 5 -0.323114830249E+03 0.25805E-04 -0.27711E-04 3900 0.381E-02 0.128E-01 RMM: 6 -0.323114720065E+03 0.11018E-03 -0.71926E-05 3516 0.247E-02 0.480E-02 RMM: 7 -0.323114715468E+03 0.45969E-05 -0.21433E-05 2558 0.135E-02 3904 T= 6836. E= 0.67520136E+03 F= 0.63315427E+03 E0= 0.66169661E+03 EK= 0.55670E+02 SP= -.14E+02 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324113225920E+03 -0.99851E+00 -0.12636E-01 8040 0.244E+01 0.265E-01 RMM: 2 -0.324137635190E+03 -0.24409E-01 -0.11450E-01 5200 0.769E-01 0.146E+00 RMM: 3 -0.324122431753E+03 0.15203E-01 -0.12770E-02 5425 0.252E-01 0.252E-01 RMM: 4 -0.324121963078E+03 0.46868E-03 -0.12776E-03 4810 0.721E-02 0.865E-02 RMM: 5 -0.324121949210E+03 0.13868E-04 -0.15775E-04 3907 0.315E-02 3905 T= 6935. E= 0.67519732E+03 F= 0.63214704E+03 E0= 0.66066929E+03 EK= 0.56478E+02 SP= -.14E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325149308687E+03 -0.10273E+01 -0.12272E-01 8032 0.246E+01 0.161E-01 RMM: 2 -0.325164086006E+03 -0.14777E-01 -0.10758E-01 5309 0.722E-01 0.844E-01 RMM: 3 -0.325158364892E+03 0.57211E-02 -0.91918E-03 5747 0.192E-01 0.162E-01 RMM: 4 -0.325158142547E+03 0.22234E-03 -0.58522E-04 4632 0.505E-02 0.984E-02 RMM: 5 -0.325158076941E+03 0.65607E-04 -0.70796E-05 3547 0.225E-02 0.781E-02 RMM: 6 -0.325158063497E+03 0.13444E-04 -0.27531E-05 2604 0.156E-02 3906 T= 7036. E= 0.67519334E+03 F= 0.63111093E+03 E0= 0.65960927E+03 EK= 0.57294E+02 SP= -.13E+02 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326160569317E+03 -0.10025E+01 -0.12853E-01 7768 0.248E+01 0.352E-01 RMM: 2 -0.326194319543E+03 -0.33750E-01 -0.12936E-01 4959 0.846E-01 0.185E+00 RMM: 3 -0.326170573996E+03 0.23746E-01 -0.17974E-02 5379 0.315E-01 0.319E-01 RMM: 4 -0.326169869547E+03 0.70445E-03 -0.20110E-03 4948 0.885E-02 0.111E-01 RMM: 5 -0.326169840141E+03 0.29406E-04 -0.25036E-04 3940 0.370E-02 0.103E-01 RMM: 6 -0.326169771871E+03 0.68270E-04 -0.53273E-05 3234 0.215E-02 0.451E-02 RMM: 7 -0.326169766488E+03 0.53831E-05 -0.15989E-05 2510 0.126E-02 3907 T= 7130. E= 0.67518915E+03 F= 0.63009922E+03 E0= 0.65857372E+03 EK= 0.58060E+02 SP= -.13E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327099380455E+03 -0.92961E+00 -0.12665E-01 7744 0.250E+01 0.339E-01 RMM: 2 -0.327130566894E+03 -0.31186E-01 -0.13164E-01 4997 0.856E-01 0.174E+00 RMM: 3 -0.327109949680E+03 0.20617E-01 -0.17982E-02 5404 0.310E-01 0.355E-01 RMM: 4 -0.327109053447E+03 0.89623E-03 -0.20097E-03 5030 0.927E-02 0.119E-01 RMM: 5 -0.327109025631E+03 0.27815E-04 -0.27809E-04 3905 0.401E-02 0.121E-01 RMM: 6 -0.327108926021E+03 0.99610E-04 -0.70880E-05 3460 0.240E-02 0.477E-02 RMM: 7 -0.327108922624E+03 0.33977E-05 -0.21255E-05 2553 0.136E-02 3908 T= 7211. E= 0.67518589E+03 F= 0.62916007E+03 E0= 0.65761031E+03 EK= 0.58725E+02 SP= -.13E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327930552759E+03 -0.82163E+00 -0.13009E-01 8024 0.251E+01 0.290E-01 RMM: 2 -0.327958130654E+03 -0.27578E-01 -0.13495E-01 4938 0.854E-01 0.153E+00 RMM: 3 -0.327941656882E+03 0.16474E-01 -0.16634E-02 5449 0.285E-01 0.282E-01 RMM: 4 -0.327941039093E+03 0.61779E-03 -0.15760E-03 4937 0.798E-02 0.982E-02 RMM: 5 -0.327940996324E+03 0.42769E-04 -0.19350E-04 3954 0.339E-02 0.820E-02 RMM: 6 -0.327940950366E+03 0.45958E-04 -0.34736E-05 2841 0.174E-02 0.452E-02 RMM: 7 -0.327940952059E+03 -0.16933E-05 -0.18797E-05 2521 0.140E-02 3909 T= 7276. E= 0.67518413E+03 F= 0.62832804E+03 E0= 0.65675732E+03 EK= 0.59252E+02 SP= -.13E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328641015422E+03 -0.70007E+00 -0.12826E-01 8048 0.252E+01 0.212E-01 RMM: 2 -0.328660502963E+03 -0.19488E-01 -0.13822E-01 4884 0.854E-01 0.102E+00 RMM: 3 -0.328652981315E+03 0.75216E-02 -0.15525E-02 5786 0.246E-01 0.205E-01 RMM: 4 -0.328652530238E+03 0.45108E-03 -0.96097E-04 4840 0.677E-02 0.965E-02 RMM: 5 -0.328652481879E+03 0.48359E-04 -0.13359E-04 3865 0.302E-02 0.777E-02 RMM: 6 -0.328652447002E+03 0.34876E-04 -0.29319E-05 2716 0.161E-02 0.421E-02 RMM: 7 -0.328652444703E+03 0.22995E-05 -0.18374E-05 2514 0.137E-02 3910 T= 7322. E= 0.67518387E+03 F= 0.62761654E+03 E0= 0.65602755E+03 EK= 0.59623E+02 SP= -.12E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329240670208E+03 -0.58822E+00 -0.13303E-01 8056 0.252E+01 0.199E-01 RMM: 2 -0.329258980764E+03 -0.18311E-01 -0.13207E-01 4920 0.826E-01 0.978E-01 RMM: 3 -0.329252067161E+03 0.69136E-02 -0.14359E-02 5802 0.239E-01 0.190E-01 RMM: 4 -0.329251678382E+03 0.38878E-03 -0.86687E-04 4801 0.638E-02 0.948E-02 RMM: 5 -0.329251633895E+03 0.44487E-04 -0.11593E-04 3778 0.291E-02 0.755E-02 RMM: 6 -0.329251601209E+03 0.32686E-04 -0.27858E-05 2639 0.158E-02 0.468E-02 RMM: 7 -0.329251601712E+03 -0.50299E-06 -0.22191E-05 2563 0.146E-02 3911 T= 7349. E= 0.67518448E+03 F= 0.62701739E+03 E0= 0.65541486E+03 EK= 0.59846E+02 SP= -.12E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329750572164E+03 -0.49897E+00 -0.13930E-01 8224 0.252E+01 0.198E-01 RMM: 2 -0.329769887206E+03 -0.19315E-01 -0.14463E-01 4857 0.876E-01 0.952E-01 RMM: 3 -0.329763161588E+03 0.67256E-02 -0.15888E-02 5870 0.247E-01 0.202E-01 RMM: 4 -0.329762696528E+03 0.46506E-03 -0.86016E-04 4828 0.655E-02 0.808E-02 RMM: 5 -0.329762671805E+03 0.24723E-04 -0.11821E-04 3808 0.292E-02 0.757E-02 RMM: 6 -0.329762641629E+03 0.30176E-04 -0.28099E-05 2646 0.159E-02 0.423E-02 RMM: 7 -0.329762643316E+03 -0.16872E-05 -0.23321E-05 2532 0.152E-02 3912 T= 7361. E= 0.67518623E+03 F= 0.62650635E+03 E0= 0.65489412E+03 EK= 0.59944E+02 SP= -.12E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330207474059E+03 -0.44483E+00 -0.14377E-01 8200 0.251E+01 0.175E-01 RMM: 2 -0.330225608886E+03 -0.18135E-01 -0.14594E-01 4927 0.856E-01 0.841E-01 RMM: 3 -0.330220097121E+03 0.55118E-02 -0.15008E-02 6014 0.233E-01 0.151E-01 RMM: 4 -0.330219761373E+03 0.33575E-03 -0.70091E-04 4725 0.615E-02 0.105E-01 RMM: 5 -0.330219704554E+03 0.56818E-04 -0.10657E-04 3667 0.296E-02 0.707E-02 RMM: 6 -0.330219677300E+03 0.27255E-04 -0.28719E-05 2648 0.163E-02 0.410E-02 RMM: 7 -0.330219677438E+03 -0.13806E-06 -0.20105E-05 2514 0.141E-02 3913 T= 7362. E= 0.67518753E+03 F= 0.62604931E+03 E0= 0.65443136E+03 EK= 0.59950E+02 SP= -.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330642366930E+03 -0.42269E+00 -0.14133E-01 8480 0.250E+01 0.188E-01 RMM: 2 -0.330659020289E+03 -0.16653E-01 -0.13237E-01 5015 0.818E-01 0.824E-01 RMM: 3 -0.330653604617E+03 0.54157E-02 -0.13142E-02 5928 0.228E-01 0.169E-01 RMM: 4 -0.330653284979E+03 0.31964E-03 -0.69013E-04 4842 0.579E-02 0.848E-02 RMM: 5 -0.330653247407E+03 0.37572E-04 -0.95389E-05 3667 0.267E-02 0.720E-02 RMM: 6 -0.330653219075E+03 0.28332E-04 -0.26110E-05 2594 0.156E-02 0.391E-02 RMM: 7 -0.330653218531E+03 0.54391E-06 -0.24644E-05 2530 0.152E-02 3914 T= 7355. E= 0.67518829E+03 F= 0.62561577E+03 E0= 0.65399464E+03 EK= 0.59895E+02 SP= -.11E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331075299954E+03 -0.42208E+00 -0.13921E-01 8384 0.250E+01 0.158E-01 RMM: 2 -0.331090220965E+03 -0.14921E-01 -0.12679E-01 5103 0.789E-01 0.705E-01 RMM: 3 -0.331086007384E+03 0.42136E-02 -0.11440E-02 6178 0.205E-01 0.137E-01 RMM: 4 -0.331085765602E+03 0.24178E-03 -0.54995E-04 4676 0.562E-02 0.103E-01 RMM: 5 -0.331085696482E+03 0.69120E-04 -0.85868E-05 3520 0.267E-02 0.594E-02 RMM: 6 -0.331085679801E+03 0.16681E-04 -0.22177E-05 2552 0.143E-02 3915 T= 7344. E= 0.67518838E+03 F= 0.62518331E+03 E0= 0.65356168E+03 EK= 0.59802E+02 SP= -.10E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331515505593E+03 -0.42981E+00 -0.13566E-01 8360 0.250E+01 0.213E-01 RMM: 2 -0.331534388562E+03 -0.18883E-01 -0.12179E-01 5209 0.769E-01 0.108E+00 RMM: 3 -0.331525487132E+03 0.89014E-02 -0.11444E-02 5611 0.226E-01 0.205E-01 RMM: 4 -0.331525139395E+03 0.34774E-03 -0.84879E-04 4874 0.602E-02 0.820E-02 RMM: 5 -0.331525092117E+03 0.47278E-04 -0.94754E-05 3759 0.262E-02 0.681E-02 RMM: 6 -0.331525070908E+03 0.21209E-04 -0.22704E-05 2554 0.141E-02 0.534E-02 RMM: 7 -0.331525077435E+03 -0.65271E-05 -0.36525E-05 2736 0.176E-02 3916 T= 7328. E= 0.67518717E+03 F= 0.62474391E+03 E0= 0.65312377E+03 EK= 0.59679E+02 SP= -.98E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331956244381E+03 -0.43117E+00 -0.13163E-01 8312 0.250E+01 0.234E-01 RMM: 2 -0.331973788551E+03 -0.17544E-01 -0.11352E-01 5072 0.765E-01 0.108E+00 RMM: 3 -0.331965305264E+03 0.84833E-02 -0.11529E-02 5684 0.231E-01 0.220E-01 RMM: 4 -0.331964947111E+03 0.35815E-03 -0.97199E-04 4704 0.681E-02 0.105E-01 RMM: 5 -0.331964914578E+03 0.32532E-04 -0.14089E-04 3832 0.310E-02 0.977E-02 RMM: 6 -0.331964854225E+03 0.60353E-04 -0.37806E-05 3006 0.190E-02 0.312E-02 RMM: 7 -0.331964856319E+03 -0.20931E-05 -0.15069E-05 2499 0.124E-02 3917 T= 7309. E= 0.67518520E+03 F= 0.62430413E+03 E0= 0.65268705E+03 EK= 0.59521E+02 SP= -.92E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332379554464E+03 -0.41470E+00 -0.13052E-01 8216 0.250E+01 0.205E-01 RMM: 2 -0.332397421017E+03 -0.17867E-01 -0.12527E-01 5106 0.780E-01 0.100E+00 RMM: 3 -0.332389847606E+03 0.75734E-02 -0.12258E-02 5833 0.224E-01 0.182E-01 RMM: 4 -0.332389531390E+03 0.31622E-03 -0.77371E-04 4787 0.596E-02 0.981E-02 RMM: 5 -0.332389458784E+03 0.72605E-04 -0.98998E-05 3717 0.267E-02 0.700E-02 RMM: 6 -0.332389433163E+03 0.25621E-04 -0.25717E-05 2593 0.152E-02 0.505E-02 RMM: 7 -0.332389427183E+03 0.59799E-05 -0.30303E-05 2632 0.156E-02 3918 T= 7284. E= 0.67518338E+03 F= 0.62387956E+03 E0= 0.65226581E+03 EK= 0.59315E+02 SP= -.87E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332774243286E+03 -0.38481E+00 -0.12431E-01 8400 0.250E+01 0.174E-01 RMM: 2 -0.332787100053E+03 -0.12857E-01 -0.10765E-01 5152 0.730E-01 0.708E-01 RMM: 3 -0.332783089934E+03 0.40101E-02 -0.10301E-02 6000 0.199E-01 0.145E-01 RMM: 4 -0.332782866840E+03 0.22309E-03 -0.54812E-04 4770 0.508E-02 0.964E-02 RMM: 5 -0.332782800929E+03 0.65911E-04 -0.69648E-05 3513 0.230E-02 0.647E-02 RMM: 6 -0.332782783004E+03 0.17925E-04 -0.21613E-05 2552 0.143E-02 3919 T= 7251. E= 0.67518171E+03 F= 0.62348621E+03 E0= 0.65187630E+03 EK= 0.59047E+02 SP= -.81E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333123691443E+03 -0.34089E+00 -0.12755E-01 8024 0.250E+01 0.204E-01 RMM: 2 -0.333142602344E+03 -0.18911E-01 -0.13819E-01 4843 0.846E-01 0.965E-01 RMM: 3 -0.333135734308E+03 0.68680E-02 -0.16006E-02 5806 0.246E-01 0.189E-01 RMM: 4 -0.333135319020E+03 0.41529E-03 -0.88483E-04 4968 0.633E-02 0.921E-02 RMM: 5 -0.333135258493E+03 0.60527E-04 -0.10084E-04 3939 0.265E-02 0.717E-02 RMM: 6 -0.333135239550E+03 0.18944E-04 -0.22684E-05 2555 0.141E-02 3920 T= 7210. E= 0.67518096E+03 F= 0.62313375E+03 E0= 0.65152810E+03 EK= 0.58711E+02 SP= -.75E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333437016274E+03 -0.30176E+00 -0.12567E-01 7952 0.249E+01 0.314E-01 RMM: 2 -0.333468033854E+03 -0.31018E-01 -0.12314E-01 4963 0.820E-01 0.175E+00 RMM: 3 -0.333446803455E+03 0.21230E-01 -0.16642E-02 5424 0.296E-01 0.310E-01 RMM: 4 -0.333446072502E+03 0.73095E-03 -0.17052E-03 4900 0.827E-02 0.944E-02 RMM: 5 -0.333446025825E+03 0.46677E-04 -0.17708E-04 4235 0.304E-02 0.877E-02 RMM: 6 -0.333445984957E+03 0.40868E-04 -0.24837E-05 2571 0.144E-02 0.647E-02 RMM: 7 -0.333445995203E+03 -0.10245E-04 -0.41282E-05 3015 0.193E-02 3921 T= 7160. E= 0.67518058E+03 F= 0.62282299E+03 E0= 0.65122279E+03 EK= 0.58307E+02 SP= -.68E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333714237368E+03 -0.26825E+00 -0.12372E-01 7896 0.249E+01 0.314E-01 RMM: 2 -0.333742113071E+03 -0.27876E-01 -0.13085E-01 4811 0.847E-01 0.158E+00 RMM: 3 -0.333724774704E+03 0.17338E-01 -0.17028E-02 5450 0.293E-01 0.311E-01 RMM: 4 -0.333724136201E+03 0.63850E-03 -0.19419E-03 5026 0.940E-02 0.138E-01 RMM: 5 -0.333724187845E+03 -0.51644E-04 -0.29354E-04 3935 0.389E-02 0.169E-01 RMM: 6 -0.333723998446E+03 0.18940E-03 -0.96609E-05 3661 0.280E-02 0.384E-02 RMM: 7 -0.333723997112E+03 0.13336E-05 -0.20626E-05 2559 0.136E-02 3922 T= 7104. E= 0.67518166E+03 F= 0.62254499E+03 E0= 0.65095221E+03 EK= 0.57850E+02 SP= -.62E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333979179135E+03 -0.25518E+00 -0.12113E-01 7960 0.248E+01 0.232E-01 RMM: 2 -0.334001908885E+03 -0.22730E-01 -0.13028E-01 4853 0.828E-01 0.128E+00 RMM: 3 -0.333990304449E+03 0.11604E-01 -0.15213E-02 5628 0.255E-01 0.226E-01 RMM: 4 -0.333989848323E+03 0.45613E-03 -0.11003E-03 4922 0.682E-02 0.970E-02 RMM: 5 -0.333989782224E+03 0.66099E-04 -0.13299E-04 3905 0.300E-02 0.722E-02 RMM: 6 -0.333989752436E+03 0.29788E-04 -0.27680E-05 2632 0.152E-02 0.544E-02 RMM: 7 -0.333989750890E+03 0.15463E-05 -0.28549E-05 2631 0.159E-02 3923 T= 7044. E= 0.67518275E+03 F= 0.62227924E+03 E0= 0.65069746E+03 EK= 0.57361E+02 SP= -.55E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334252061658E+03 -0.26231E+00 -0.12056E-01 7992 0.246E+01 0.197E-01 RMM: 2 -0.334271079468E+03 -0.19018E-01 -0.14665E-01 4781 0.885E-01 0.922E-01 RMM: 3 -0.334265033303E+03 0.60462E-02 -0.17383E-02 5917 0.244E-01 0.167E-01 RMM: 4 -0.334264613140E+03 0.42016E-03 -0.90436E-04 4976 0.647E-02 0.848E-02 RMM: 5 -0.334264584484E+03 0.28657E-04 -0.11553E-04 3849 0.284E-02 0.742E-02 RMM: 6 -0.334264553699E+03 0.30784E-04 -0.27259E-05 2616 0.159E-02 0.378E-02 RMM: 7 -0.334264557314E+03 -0.36146E-05 -0.16123E-05 2503 0.127E-02 3924 T= 6983. E= 0.67518323E+03 F= 0.62200443E+03 E0= 0.65043790E+03 EK= 0.56865E+02 SP= -.47E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334547184273E+03 -0.28263E+00 -0.12573E-01 7920 0.245E+01 0.173E-01 RMM: 2 -0.334566145240E+03 -0.18961E-01 -0.15219E-01 4861 0.872E-01 0.852E-01 RMM: 3 -0.334560556747E+03 0.55885E-02 -0.16444E-02 5942 0.229E-01 0.156E-01 RMM: 4 -0.334560179100E+03 0.37765E-03 -0.77256E-04 4830 0.630E-02 0.111E-01 RMM: 5 -0.334560107499E+03 0.71601E-04 -0.11131E-04 3772 0.291E-02 0.652E-02 RMM: 6 -0.334560082573E+03 0.24926E-04 -0.26992E-05 2620 0.154E-02 0.412E-02 RMM: 7 -0.334560080602E+03 0.19715E-05 -0.25314E-05 2559 0.150E-02 3925 T= 6923. E= 0.67518286E+03 F= 0.62170891E+03 E0= 0.65016327E+03 EK= 0.56376E+02 SP= -.40E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334857626347E+03 -0.29754E+00 -0.11497E-01 7816 0.244E+01 0.185E-01 RMM: 2 -0.334873389849E+03 -0.15764E-01 -0.11912E-01 4864 0.789E-01 0.874E-01 RMM: 3 -0.334867859312E+03 0.55305E-02 -0.13236E-02 5842 0.220E-01 0.162E-01 RMM: 4 -0.334867543603E+03 0.31571E-03 -0.70639E-04 4840 0.578E-02 0.850E-02 RMM: 5 -0.334867517488E+03 0.26115E-04 -0.99399E-05 3667 0.273E-02 0.756E-02 RMM: 6 -0.334867485853E+03 0.31635E-04 -0.28960E-05 2718 0.164E-02 0.379E-02 RMM: 7 -0.334867489452E+03 -0.35992E-05 -0.17365E-05 2507 0.130E-02 3926 T= 6863. E= 0.67518065E+03 F= 0.62140150E+03 E0= 0.64988203E+03 EK= 0.55886E+02 SP= -.33E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335142210609E+03 -0.27472E+00 -0.11249E-01 8080 0.243E+01 0.165E-01 RMM: 2 -0.335155465180E+03 -0.13255E-01 -0.99372E-02 5042 0.705E-01 0.813E-01 RMM: 3 -0.335150518422E+03 0.49468E-02 -0.97956E-03 5858 0.191E-01 0.157E-01 RMM: 4 -0.335150274353E+03 0.24407E-03 -0.57385E-04 4668 0.536E-02 0.964E-02 RMM: 5 -0.335150216041E+03 0.58312E-04 -0.83947E-05 3589 0.252E-02 0.606E-02 RMM: 6 -0.335150198349E+03 0.17692E-04 -0.21320E-05 2555 0.139E-02 3927 T= 6798. E= 0.67517716E+03 F= 0.62111879E+03 E0= 0.64963008E+03 EK= 0.55363E+02 SP= -.25E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335343412843E+03 -0.19320E+00 -0.11447E-01 8168 0.242E+01 0.190E-01 RMM: 2 -0.335359391575E+03 -0.15979E-01 -0.10748E-01 5131 0.713E-01 0.961E-01 RMM: 3 -0.335352318728E+03 0.70728E-02 -0.10235E-02 5556 0.208E-01 0.204E-01 RMM: 4 -0.335351976636E+03 0.34209E-03 -0.78790E-04 4825 0.579E-02 0.815E-02 RMM: 5 -0.335351932693E+03 0.43943E-04 -0.85177E-05 3766 0.239E-02 0.698E-02 RMM: 6 -0.335351916455E+03 0.16238E-04 -0.20929E-05 2545 0.138E-02 3928 T= 6724. E= 0.67517317E+03 F= 0.62091707E+03 E0= 0.64946152E+03 EK= 0.54754E+02 SP= -.17E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335402886227E+03 -0.50954E-01 -0.11602E-01 8496 0.240E+01 0.327E-01 RMM: 2 -0.335440426902E+03 -0.37541E-01 -0.11323E-01 5148 0.756E-01 0.205E+00 RMM: 3 -0.335411316067E+03 0.29111E-01 -0.15595E-02 5396 0.296E-01 0.280E-01 RMM: 4 -0.335410747635E+03 0.56843E-03 -0.17473E-03 4986 0.794E-02 0.940E-02 RMM: 5 -0.335410693412E+03 0.54224E-04 -0.14942E-04 3968 0.309E-02 0.885E-02 RMM: 6 -0.335410653447E+03 0.39965E-04 -0.28973E-05 2623 0.161E-02 0.591E-02 RMM: 7 -0.335410659731E+03 -0.62842E-05 -0.33363E-05 2834 0.178E-02 3929 T= 6632. E= 0.67516977E+03 F= 0.62085833E+03 E0= 0.64943774E+03 EK= 0.54005E+02 SP= -.94E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335267592658E+03 0.14306E+00 -0.12201E-01 8448 0.239E+01 0.297E-01 RMM: 2 -0.335298214172E+03 -0.30622E-01 -0.13145E-01 5125 0.774E-01 0.168E+00 RMM: 3 -0.335277841560E+03 0.20373E-01 -0.14734E-02 5397 0.277E-01 0.306E-01 RMM: 4 -0.335277223502E+03 0.61806E-03 -0.18330E-03 4900 0.905E-02 0.128E-01 RMM: 5 -0.335277237489E+03 -0.13987E-04 -0.24983E-04 3935 0.384E-02 0.147E-01 RMM: 6 -0.335277089028E+03 0.14846E-03 -0.73468E-05 3498 0.249E-02 0.368E-02 RMM: 7 -0.335277092595E+03 -0.35674E-05 -0.21336E-05 2583 0.138E-02 3930 T= 6517. E= 0.67516841E+03 F= 0.62099190E+03 E0= 0.64960544E+03 EK= 0.53072E+02 SP= -.15E+00 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334919660233E+03 0.35743E+00 -0.12951E-01 8888 0.237E+01 0.237E-01 RMM: 2 -0.334943255283E+03 -0.23595E-01 -0.13509E-01 5223 0.762E-01 0.130E+00 RMM: 3 -0.334930493096E+03 0.12762E-01 -0.12903E-02 5489 0.239E-01 0.209E-01 RMM: 4 -0.334930167572E+03 0.32552E-03 -0.11467E-03 4960 0.670E-02 0.101E-01 RMM: 5 -0.334930098117E+03 0.69455E-04 -0.12354E-04 3852 0.278E-02 0.810E-02 RMM: 6 -0.334930063897E+03 0.34219E-04 -0.26516E-05 2615 0.151E-02 0.570E-02 RMM: 7 -0.334930061784E+03 0.21131E-05 -0.24589E-05 2603 0.149E-02 3931 T= 6378. E= 0.67516893E+03 F= 0.62133893E+03 E0= 0.64998379E+03 EK= 0.51943E+02 SP= 0.64E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334368233222E+03 0.56183E+00 -0.13782E-01 8840 0.234E+01 0.197E-01 RMM: 2 -0.334387279299E+03 -0.19046E-01 -0.14470E-01 5199 0.776E-01 0.924E-01 RMM: 3 -0.334380027912E+03 0.72514E-02 -0.12359E-02 5810 0.220E-01 0.205E-01 RMM: 4 -0.334379656062E+03 0.37185E-03 -0.88166E-04 4740 0.636E-02 0.943E-02 RMM: 5 -0.334379604107E+03 0.51955E-04 -0.11391E-04 3827 0.261E-02 0.745E-02 RMM: 6 -0.334379575796E+03 0.28310E-04 -0.24521E-05 2629 0.150E-02 0.461E-02 RMM: 7 -0.334379576869E+03 -0.10729E-05 -0.17538E-05 2517 0.130E-02 3932 T= 6218. E= 0.67517130E+03 F= 0.62188941E+03 E0= 0.65056250E+03 EK= 0.50634E+02 SP= 0.14E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333654070392E+03 0.72551E+00 -0.15086E-01 8800 0.231E+01 0.198E-01 RMM: 2 -0.333674850420E+03 -0.20780E-01 -0.16779E-01 5150 0.841E-01 0.872E-01 RMM: 3 -0.333668072454E+03 0.67780E-02 -0.14209E-02 5939 0.229E-01 0.199E-01 RMM: 4 -0.333667654656E+03 0.41780E-03 -0.86091E-04 4743 0.654E-02 0.105E-01 RMM: 5 -0.333667595041E+03 0.59616E-04 -0.12675E-04 3819 0.285E-02 0.831E-02 RMM: 6 -0.333667554880E+03 0.40161E-04 -0.31272E-05 2815 0.170E-02 0.465E-02 RMM: 7 -0.333667556884E+03 -0.20043E-05 -0.22498E-05 2571 0.142E-02 3933 T= 6041. E= 0.67517503E+03 F= 0.62260143E+03 E0= 0.65129728E+03 EK= 0.49196E+02 SP= 0.22E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332849154555E+03 0.81840E+00 -0.15526E-01 8912 0.228E+01 0.210E-01 RMM: 2 -0.332870423779E+03 -0.21269E-01 -0.15940E-01 5377 0.798E-01 0.977E-01 RMM: 3 -0.332861940226E+03 0.84836E-02 -0.11994E-02 5742 0.224E-01 0.199E-01 RMM: 4 -0.332861611733E+03 0.32849E-03 -0.90217E-04 4891 0.618E-02 0.100E-01 RMM: 5 -0.332861555186E+03 0.56548E-04 -0.11637E-04 3789 0.276E-02 0.786E-02 RMM: 6 -0.332861520214E+03 0.34972E-04 -0.29407E-05 2798 0.165E-02 0.453E-02 RMM: 7 -0.332861523544E+03 -0.33296E-05 -0.28336E-05 2623 0.156E-02 3934 T= 5858. E= 0.67517960E+03 F= 0.62340747E+03 E0= 0.65212150E+03 EK= 0.47703E+02 SP= 0.30E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332029518192E+03 0.83200E+00 -0.16224E-01 9080 0.225E+01 0.200E-01 RMM: 2 -0.332051239361E+03 -0.21721E-01 -0.16687E-01 5328 0.830E-01 0.938E-01 RMM: 3 -0.332043486753E+03 0.77526E-02 -0.12901E-02 5847 0.222E-01 0.224E-01 RMM: 4 -0.332042987381E+03 0.49937E-03 -0.89864E-04 4741 0.668E-02 0.864E-02 RMM: 5 -0.332042958371E+03 0.29010E-04 -0.12918E-04 3868 0.280E-02 0.826E-02 RMM: 6 -0.332042919566E+03 0.38804E-04 -0.27106E-05 2696 0.159E-02 0.454E-02 RMM: 7 -0.332042922125E+03 -0.25592E-05 -0.17547E-05 2516 0.128E-02 3935 T= 5678. E= 0.67518381E+03 F= 0.62422607E+03 E0= 0.65295254E+03 EK= 0.46239E+02 SP= 0.37E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331278365780E+03 0.76455E+00 -0.15732E-01 9072 0.222E+01 0.187E-01 RMM: 2 -0.331297509129E+03 -0.19143E-01 -0.15284E-01 5610 0.777E-01 0.847E-01 RMM: 3 -0.331290803097E+03 0.67060E-02 -0.10122E-02 5680 0.207E-01 0.165E-01 RMM: 4 -0.331290578370E+03 0.22473E-03 -0.75611E-04 5017 0.549E-02 0.952E-02 RMM: 5 -0.331290521298E+03 0.57072E-04 -0.84438E-05 3583 0.244E-02 0.714E-02 RMM: 6 -0.331290496127E+03 0.25171E-04 -0.24260E-05 2577 0.151E-02 0.450E-02 RMM: 7 -0.331290497054E+03 -0.92691E-06 -0.29828E-05 2645 0.155E-02 3936 T= 5512. E= 0.67518712E+03 F= 0.62497849E+03 E0= 0.65371275E+03 EK= 0.44887E+02 SP= 0.44E+01 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330660676977E+03 0.62982E+00 -0.14695E-01 9016 0.219E+01 0.177E-01 RMM: 2 -0.330678508991E+03 -0.17832E-01 -0.14196E-01 5594 0.741E-01 0.825E-01 RMM: 3 -0.330672170914E+03 0.63381E-02 -0.91410E-03 5749 0.193E-01 0.193E-01 RMM: 4 -0.330671838745E+03 0.33217E-03 -0.72422E-04 4728 0.577E-02 0.893E-02 RMM: 5 -0.330671802083E+03 0.36662E-04 -0.10023E-04 3706 0.260E-02 0.767E-02 RMM: 6 -0.330671768621E+03 0.33462E-04 -0.24585E-05 2652 0.153E-02 0.456E-02 RMM: 7 -0.330671770502E+03 -0.18813E-05 -0.17380E-05 2522 0.122E-02 3937 T= 5368. E= 0.67518932E+03 F= 0.62559722E+03 E0= 0.65433622E+03 EK= 0.43716E+02 SP= 0.51E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330227153600E+03 0.44462E+00 -0.13764E-01 9056 0.218E+01 0.169E-01 RMM: 2 -0.330242897748E+03 -0.15744E-01 -0.12486E-01 5769 0.691E-01 0.795E-01 RMM: 3 -0.330237097689E+03 0.58001E-02 -0.72849E-03 5619 0.179E-01 0.148E-01 RMM: 4 -0.330236938403E+03 0.15929E-03 -0.60833E-04 4727 0.488E-02 0.884E-02 RMM: 5 -0.330236882404E+03 0.55999E-04 -0.61278E-05 3400 0.213E-02 0.618E-02 RMM: 6 -0.330236867498E+03 0.14906E-04 -0.19623E-05 2541 0.136E-02 3938 T= 5253. E= 0.67519048E+03 F= 0.62603212E+03 E0= 0.65477474E+03 EK= 0.42776E+02 SP= 0.57E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330005153847E+03 0.23173E+00 -0.12928E-01 8944 0.216E+01 0.176E-01 RMM: 2 -0.330021739689E+03 -0.16586E-01 -0.11900E-01 5524 0.690E-01 0.910E-01 RMM: 3 -0.330014919636E+03 0.68201E-02 -0.87609E-03 5688 0.189E-01 0.197E-01 RMM: 4 -0.330014594523E+03 0.32511E-03 -0.66107E-04 4671 0.529E-02 0.880E-02 RMM: 5 -0.330014552150E+03 0.42373E-04 -0.64505E-05 3474 0.202E-02 0.751E-02 RMM: 6 -0.330014538409E+03 0.13741E-04 -0.16603E-05 2516 0.122E-02 3939 T= 5169. E= 0.67519045E+03 F= 0.62625445E+03 E0= 0.65500133E+03 EK= 0.42095E+02 SP= 0.62E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330008276088E+03 0.62761E-02 -0.11399E-01 8960 0.216E+01 0.363E-01 RMM: 2 -0.330045330752E+03 -0.37055E-01 -0.10688E-01 5197 0.722E-01 0.206E+00 RMM: 3 -0.330016144507E+03 0.29186E-01 -0.16443E-02 5386 0.307E-01 0.354E-01 RMM: 4 -0.330015201819E+03 0.94269E-03 -0.19054E-03 4760 0.874E-02 0.998E-02 RMM: 5 -0.330015150304E+03 0.51515E-04 -0.20174E-04 4189 0.315E-02 0.823E-02 RMM: 6 -0.330015115371E+03 0.34933E-04 -0.24991E-05 2628 0.144E-02 0.639E-02 RMM: 7 -0.330015130269E+03 -0.14898E-04 -0.34619E-05 2888 0.179E-02 3940 T= 5119. E= 0.67518944E+03 F= 0.62625386E+03 E0= 0.65500693E+03 EK= 0.41683E+02 SP= 0.68E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330226501162E+03 -0.21139E+00 -0.10094E-01 8728 0.216E+01 0.388E-01 RMM: 2 -0.330259219303E+03 -0.32718E-01 -0.10079E-01 5118 0.706E-01 0.191E+00 RMM: 3 -0.330233622516E+03 0.25597E-01 -0.16888E-02 5368 0.315E-01 0.401E-01 RMM: 4 -0.330232520966E+03 0.11015E-02 -0.22198E-03 4884 0.994E-02 0.132E-01 RMM: 5 -0.330232627720E+03 -0.10675E-03 -0.38537E-04 3990 0.473E-02 0.183E-01 RMM: 6 -0.330232411395E+03 0.21632E-03 -0.12178E-04 3813 0.314E-02 0.539E-02 RMM: 7 -0.330232396990E+03 0.14405E-04 -0.21315E-05 2591 0.136E-02 3941 T= 5100. E= 0.67518798E+03 F= 0.62603659E+03 E0= 0.65480038E+03 EK= 0.41531E+02 SP= 0.72E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330635536731E+03 -0.40313E+00 -0.97940E-02 8040 0.216E+01 0.327E-01 RMM: 2 -0.330667430707E+03 -0.31894E-01 -0.10311E-01 4926 0.740E-01 0.186E+00 RMM: 3 -0.330643628262E+03 0.23802E-01 -0.15482E-02 5388 0.292E-01 0.325E-01 RMM: 4 -0.330642885472E+03 0.74279E-03 -0.18322E-03 4944 0.814E-02 0.107E-01 RMM: 5 -0.330642808997E+03 0.76474E-04 -0.18227E-04 3911 0.327E-02 0.760E-02 RMM: 6 -0.330642769729E+03 0.39269E-04 -0.27239E-05 2630 0.151E-02 0.503E-02 RMM: 7 -0.330642769403E+03 0.32589E-06 -0.17793E-05 2519 0.135E-02 3942 T= 5110. E= 0.67518522E+03 F= 0.62562622E+03 E0= 0.65440589E+03 EK= 0.41613E+02 SP= 0.76E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331197951293E+03 -0.55518E+00 -0.85356E-02 8088 0.216E+01 0.234E-01 RMM: 2 -0.331215283200E+03 -0.17332E-01 -0.74109E-02 4934 0.634E-01 0.128E+00 RMM: 3 -0.331203945221E+03 0.11338E-01 -0.97656E-03 5405 0.223E-01 0.247E-01 RMM: 4 -0.331203532726E+03 0.41250E-03 -0.10558E-03 4819 0.640E-02 0.726E-02 RMM: 5 -0.331203525564E+03 0.71617E-05 -0.13160E-04 3829 0.288E-02 3943 T= 5144. E= 0.67518136E+03 F= 0.62506546E+03 E0= 0.65386587E+03 EK= 0.41886E+02 SP= 0.80E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331847571952E+03 -0.64404E+00 -0.83339E-02 7768 0.217E+01 0.150E-01 RMM: 2 -0.331859389390E+03 -0.11817E-01 -0.74660E-02 4880 0.628E-01 0.877E-01 RMM: 3 -0.331853993777E+03 0.53956E-02 -0.84073E-03 5662 0.180E-01 0.139E-01 RMM: 4 -0.331853807554E+03 0.18622E-03 -0.52305E-04 4707 0.476E-02 0.836E-02 RMM: 5 -0.331853760399E+03 0.47155E-04 -0.63146E-05 3400 0.219E-02 0.612E-02 RMM: 6 -0.331853749000E+03 0.11399E-04 -0.22333E-05 2519 0.142E-02 3944 T= 5193. E= 0.67517656E+03 F= 0.62441524E+03 E0= 0.65324113E+03 EK= 0.42286E+02 SP= 0.83E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332515145373E+03 -0.66138E+00 -0.83511E-02 7704 0.218E+01 0.264E-01 RMM: 2 -0.332536277432E+03 -0.21132E-01 -0.66571E-02 4962 0.612E-01 0.152E+00 RMM: 3 -0.332520241827E+03 0.16036E-01 -0.10308E-02 5358 0.241E-01 0.243E-01 RMM: 4 -0.332519849950E+03 0.39188E-03 -0.11459E-03 4720 0.657E-02 0.768E-02 RMM: 5 -0.332519836410E+03 0.13540E-04 -0.13459E-04 3862 0.290E-02 3945 T= 5248. E= 0.67517167E+03 F= 0.62374915E+03 E0= 0.65260350E+03 EK= 0.42739E+02 SP= 0.86E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333121378802E+03 -0.60153E+00 -0.86366E-02 7720 0.219E+01 0.252E-01 RMM: 2 -0.333143279348E+03 -0.21901E-01 -0.77656E-02 5008 0.647E-01 0.152E+00 RMM: 3 -0.333127559869E+03 0.15719E-01 -0.10700E-02 5391 0.238E-01 0.243E-01 RMM: 4 -0.333127158798E+03 0.40107E-03 -0.11364E-03 4774 0.661E-02 0.881E-02 RMM: 5 -0.333127132469E+03 0.26328E-04 -0.12988E-04 3881 0.287E-02 0.867E-02 RMM: 6 -0.333127090802E+03 0.41668E-04 -0.32030E-05 2736 0.170E-02 0.498E-02 RMM: 7 -0.333127107735E+03 -0.16934E-04 -0.29548E-05 2690 0.158E-02 3946 T= 5301. E= 0.67516743E+03 F= 0.62314188E+03 E0= 0.65202588E+03 EK= 0.43171E+02 SP= 0.88E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333606441654E+03 -0.47935E+00 -0.91063E-02 7976 0.220E+01 0.213E-01 RMM: 2 -0.333620591267E+03 -0.14150E-01 -0.87287E-02 4827 0.685E-01 0.998E-01 RMM: 3 -0.333613725209E+03 0.68661E-02 -0.10328E-02 5610 0.205E-01 0.195E-01 RMM: 4 -0.333613460469E+03 0.26474E-03 -0.86053E-04 4697 0.633E-02 0.120E-01 RMM: 5 -0.333613411051E+03 0.49418E-04 -0.14396E-04 3834 0.309E-02 0.917E-02 RMM: 6 -0.333613357285E+03 0.53766E-04 -0.39933E-05 3078 0.191E-02 0.230E-02 RMM: 7 -0.333613361337E+03 -0.40525E-05 -0.12407E-05 2487 0.111E-02 3947 T= 5344. E= 0.67516529E+03 F= 0.62265563E+03 E0= 0.65156796E+03 EK= 0.43520E+02 SP= 0.89E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333936328236E+03 -0.32297E+00 -0.91262E-02 8256 0.220E+01 0.137E-01 RMM: 2 -0.333947092604E+03 -0.10764E-01 -0.92092E-02 5066 0.661E-01 0.601E-01 RMM: 3 -0.333944387330E+03 0.27053E-02 -0.98172E-03 6012 0.173E-01 0.117E-01 RMM: 4 -0.333944160954E+03 0.22638E-03 -0.45846E-04 4427 0.473E-02 0.951E-02 RMM: 5 -0.333944093516E+03 0.67437E-04 -0.60514E-05 3308 0.229E-02 0.565E-02 RMM: 6 -0.333944082493E+03 0.11024E-04 -0.18328E-05 2514 0.124E-02 3948 T= 5373. E= 0.67516540E+03 F= 0.62232491E+03 E0= 0.65126091E+03 EK= 0.43752E+02 SP= 0.91E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334109302709E+03 -0.16521E+00 -0.98064E-02 8008 0.220E+01 0.176E-01 RMM: 2 -0.334124403824E+03 -0.15101E-01 -0.10490E-01 4925 0.713E-01 0.905E-01 RMM: 3 -0.334118378201E+03 0.60256E-02 -0.12088E-02 5658 0.209E-01 0.176E-01 RMM: 4 -0.334118059340E+03 0.31886E-03 -0.78724E-04 5170 0.543E-02 0.777E-02 RMM: 5 -0.334118021735E+03 0.37605E-04 -0.67292E-05 3263 0.226E-02 0.681E-02 RMM: 6 -0.334118010343E+03 0.11392E-04 -0.22374E-05 2532 0.141E-02 3949 T= 5386. E= 0.67516735E+03 F= 0.62215098E+03 E0= 0.65110632E+03 EK= 0.43863E+02 SP= 0.91E+01 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334159552759E+03 -0.41531E-01 -0.94755E-02 8240 0.219E+01 0.375E-01 RMM: 2 -0.334196505313E+03 -0.36953E-01 -0.10130E-01 5046 0.732E-01 0.208E+00 RMM: 3 -0.334166720088E+03 0.29785E-01 -0.17403E-02 5382 0.320E-01 0.328E-01 RMM: 4 -0.334165934105E+03 0.78598E-03 -0.20219E-03 4848 0.890E-02 0.976E-02 RMM: 5 -0.334165918050E+03 0.16056E-04 -0.21211E-04 3983 0.334E-02 0.107E-01 RMM: 6 -0.334165846270E+03 0.71780E-04 -0.37102E-05 2986 0.184E-02 0.470E-02 RMM: 7 -0.334165844037E+03 0.22334E-05 -0.17307E-05 2518 0.129E-02 3950 T= 5389. E= 0.67517108E+03 F= 0.62210315E+03 E0= 0.65107079E+03 EK= 0.43886E+02 SP= 0.92E+01 SK= 0.38E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334136612980E+03 0.29233E-01 -0.96697E-02 8080 0.219E+01 0.333E-01 RMM: 2 -0.334168112587E+03 -0.31500E-01 -0.10353E-01 5097 0.705E-01 0.185E+00 RMM: 3 -0.334144413419E+03 0.23699E-01 -0.15767E-02 5373 0.296E-01 0.319E-01 RMM: 4 -0.334143713510E+03 0.69991E-03 -0.18047E-03 4839 0.863E-02 0.114E-01 RMM: 5 -0.334143742574E+03 -0.29064E-04 -0.24648E-04 3903 0.385E-02 0.139E-01 RMM: 6 -0.334143612437E+03 0.13014E-03 -0.69723E-05 3439 0.243E-02 0.388E-02 RMM: 7 -0.334143609181E+03 0.32560E-05 -0.17403E-05 2535 0.126E-02 3951 T= 5388. E= 0.67517585E+03 F= 0.62212538E+03 E0= 0.65109871E+03 EK= 0.43875E+02 SP= 0.92E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334110817473E+03 0.32795E-01 -0.99399E-02 8176 0.218E+01 0.220E-01 RMM: 2 -0.334129290338E+03 -0.18473E-01 -0.10272E-01 5118 0.692E-01 0.118E+00 RMM: 3 -0.334119098302E+03 0.10192E-01 -0.10680E-02 5516 0.220E-01 0.208E-01 RMM: 4 -0.334118758104E+03 0.34020E-03 -0.95715E-04 4903 0.615E-02 0.866E-02 RMM: 5 -0.334118716517E+03 0.41587E-04 -0.11201E-04 3790 0.271E-02 0.715E-02 RMM: 6 -0.334118683287E+03 0.33229E-04 -0.24211E-05 2610 0.150E-02 0.384E-02 RMM: 7 -0.334118683937E+03 -0.64963E-06 -0.14786E-05 2505 0.117E-02 3952 T= 5390. E= 0.67518021E+03 F= 0.62215031E+03 E0= 0.65112382E+03 EK= 0.43896E+02 SP= 0.91E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334147890942E+03 -0.29208E-01 -0.99721E-02 8432 0.217E+01 0.184E-01 RMM: 2 -0.334161624969E+03 -0.13734E-01 -0.96991E-02 5274 0.663E-01 0.872E-01 RMM: 3 -0.334155653654E+03 0.59713E-02 -0.87634E-03 5827 0.188E-01 0.177E-01 RMM: 4 -0.334155378999E+03 0.27465E-03 -0.63035E-04 4750 0.525E-02 0.756E-02 RMM: 5 -0.334155355990E+03 0.23009E-04 -0.82545E-05 3579 0.237E-02 0.702E-02 RMM: 6 -0.334155326508E+03 0.29482E-04 -0.23485E-05 2629 0.153E-02 0.307E-02 RMM: 7 -0.334155327498E+03 -0.99049E-06 -0.12209E-05 2488 0.108E-02 3953 T= 5405. E= 0.67518352E+03 F= 0.62211366E+03 E0= 0.65108356E+03 EK= 0.44012E+02 SP= 0.90E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334295889696E+03 -0.14056E+00 -0.10261E-01 8248 0.217E+01 0.165E-01 RMM: 2 -0.334309738714E+03 -0.13849E-01 -0.10729E-01 5122 0.707E-01 0.779E-01 RMM: 3 -0.334304865058E+03 0.48737E-02 -0.10237E-02 6044 0.190E-01 0.154E-01 RMM: 4 -0.334304590349E+03 0.27471E-03 -0.58361E-04 4583 0.545E-02 0.102E-01 RMM: 5 -0.334304534643E+03 0.55706E-04 -0.90120E-05 3581 0.258E-02 0.662E-02 RMM: 6 -0.334304507301E+03 0.27342E-04 -0.23593E-05 2601 0.152E-02 0.320E-02 RMM: 7 -0.334304507015E+03 0.28602E-06 -0.13200E-05 2484 0.112E-02 3954 T= 5437. E= 0.67518537E+03 F= 0.62196448E+03 E0= 0.65092858E+03 EK= 0.44276E+02 SP= 0.89E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334585866405E+03 -0.28136E+00 -0.10110E-01 8592 0.218E+01 0.177E-01 RMM: 2 -0.334598855727E+03 -0.12989E-01 -0.97965E-02 5224 0.687E-01 0.795E-01 RMM: 3 -0.334593877529E+03 0.49782E-02 -0.92883E-03 5993 0.187E-01 0.170E-01 RMM: 4 -0.334593579234E+03 0.29830E-03 -0.55250E-04 4672 0.502E-02 0.704E-02 RMM: 5 -0.334593561191E+03 0.18043E-04 -0.76785E-05 3505 0.231E-02 3955 T= 5491. E= 0.67518538E+03 F= 0.62167543E+03 E0= 0.65063325E+03 EK= 0.44712E+02 SP= 0.87E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335012917954E+03 -0.41934E+00 -0.10245E-01 8576 0.219E+01 0.108E-01 RMM: 2 -0.335022845478E+03 -0.99275E-02 -0.94531E-02 5390 0.649E-01 0.418E-01 RMM: 3 -0.335020722735E+03 0.21227E-02 -0.71366E-03 6257 0.155E-01 0.977E-02 RMM: 4 -0.335020572215E+03 0.15052E-03 -0.28585E-04 4226 0.379E-02 0.803E-02 RMM: 5 -0.335020535297E+03 0.36918E-04 -0.31352E-05 2752 0.182E-02 0.622E-02 RMM: 6 -0.335020532718E+03 0.25790E-05 -0.23616E-05 2555 0.142E-02 3956 T= 5565. E= 0.67518361E+03 F= 0.62124846E+03 E0= 0.65019928E+03 EK= 0.45319E+02 SP= 0.85E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335554676110E+03 -0.53414E+00 -0.10081E-01 8368 0.222E+01 0.251E-01 RMM: 2 -0.335573925108E+03 -0.19249E-01 -0.94414E-02 5076 0.698E-01 0.131E+00 RMM: 3 -0.335561896561E+03 0.12029E-01 -0.10748E-02 5530 0.229E-01 0.200E-01 RMM: 4 -0.335561621712E+03 0.27485E-03 -0.10026E-03 4761 0.646E-02 0.101E-01 RMM: 5 -0.335561614571E+03 0.71409E-05 -0.14193E-04 3820 0.303E-02 3957 T= 5658. E= 0.67518108E+03 F= 0.62070737E+03 E0= 0.64965096E+03 EK= 0.46073E+02 SP= 0.83E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336166225562E+03 -0.60460E+00 -0.10217E-01 8080 0.224E+01 0.229E-01 RMM: 2 -0.336186493654E+03 -0.20268E-01 -0.10306E-01 5214 0.733E-01 0.130E+00 RMM: 3 -0.336174456169E+03 0.12037E-01 -0.10800E-02 5526 0.227E-01 0.225E-01 RMM: 4 -0.336174078418E+03 0.37775E-03 -0.10234E-03 4755 0.664E-02 0.940E-02 RMM: 5 -0.336174028341E+03 0.50077E-04 -0.13029E-04 3865 0.297E-02 0.838E-02 RMM: 6 -0.336173987149E+03 0.41192E-04 -0.29381E-05 2698 0.163E-02 0.494E-02 RMM: 7 -0.336173984671E+03 0.24776E-05 -0.25151E-05 2583 0.145E-02 3958 T= 5763. E= 0.67517802E+03 F= 0.62009500E+03 E0= 0.64903036E+03 EK= 0.46930E+02 SP= 0.80E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336795211360E+03 -0.62122E+00 -0.10288E-01 7880 0.227E+01 0.192E-01 RMM: 2 -0.336808859268E+03 -0.13648E-01 -0.86440E-02 5064 0.677E-01 0.968E-01 RMM: 3 -0.336802201104E+03 0.66582E-02 -0.89980E-03 5739 0.196E-01 0.167E-01 RMM: 4 -0.336801959192E+03 0.24191E-03 -0.62057E-04 4738 0.526E-02 0.776E-02 RMM: 5 -0.336801926105E+03 0.33087E-04 -0.80721E-05 3599 0.245E-02 0.630E-02 RMM: 6 -0.336801904236E+03 0.21868E-04 -0.21988E-05 2564 0.144E-02 0.295E-02 RMM: 7 -0.336801905920E+03 -0.16838E-05 -0.11863E-05 2483 0.108E-02 3959 T= 5874. E= 0.67517368E+03 F= 0.61946708E+03 E0= 0.64839147E+03 EK= 0.47832E+02 SP= 0.77E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337376506638E+03 -0.57460E+00 -0.10840E-01 7808 0.229E+01 0.158E-01 RMM: 2 -0.337388480213E+03 -0.11974E-01 -0.10661E-01 5010 0.761E-01 0.614E-01 RMM: 3 -0.337385696172E+03 0.27840E-02 -0.11439E-02 6121 0.191E-01 0.127E-01 RMM: 4 -0.337385456671E+03 0.23950E-03 -0.51428E-04 4533 0.543E-02 0.125E-01 RMM: 5 -0.337385341559E+03 0.11511E-03 -0.89697E-05 3600 0.279E-02 0.565E-02 RMM: 6 -0.337385326726E+03 0.14833E-04 -0.21895E-05 2538 0.138E-02 3960 T= 5982. E= 0.67516975E+03 F= 0.61888366E+03 E0= 0.64779514E+03 EK= 0.48716E+02 SP= 0.73E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337859763011E+03 -0.47442E+00 -0.11154E-01 7608 0.232E+01 0.165E-01 RMM: 2 -0.337873823517E+03 -0.14061E-01 -0.10462E-01 4997 0.759E-01 0.845E-01 RMM: 3 -0.337868851656E+03 0.49719E-02 -0.11572E-02 5917 0.201E-01 0.150E-01 RMM: 4 -0.337868541648E+03 0.31001E-03 -0.55871E-04 4739 0.528E-02 0.794E-02 RMM: 5 -0.337868498540E+03 0.43108E-04 -0.67246E-05 3474 0.232E-02 0.636E-02 RMM: 6 -0.337868484740E+03 0.13799E-04 -0.21184E-05 2535 0.139E-02 3961 T= 6082. E= 0.67516707E+03 F= 0.61840050E+03 E0= 0.64729788E+03 EK= 0.49525E+02 SP= 0.70E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338200684816E+03 -0.33219E+00 -0.11090E-01 7408 0.233E+01 0.305E-01 RMM: 2 -0.338228098976E+03 -0.27414E-01 -0.10001E-01 4940 0.775E-01 0.169E+00 RMM: 3 -0.338208461542E+03 0.19637E-01 -0.14523E-02 5390 0.282E-01 0.258E-01 RMM: 4 -0.338208006747E+03 0.45480E-03 -0.14839E-03 4834 0.760E-02 0.984E-02 RMM: 5 -0.338207971402E+03 0.35345E-04 -0.16586E-04 3867 0.334E-02 0.917E-02 RMM: 6 -0.338207917554E+03 0.53848E-04 -0.36527E-05 2955 0.181E-02 0.418E-02 RMM: 7 -0.338207918956E+03 -0.14019E-05 -0.17609E-05 2506 0.135E-02 3962 T= 6166. E= 0.67516549E+03 F= 0.61806107E+03 E0= 0.64694340E+03 EK= 0.50211E+02 SP= 0.66E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338368271984E+03 -0.16035E+00 -0.11095E-01 7416 0.235E+01 0.257E-01 RMM: 2 -0.338387891911E+03 -0.19620E-01 -0.93403E-02 4863 0.749E-01 0.133E+00 RMM: 3 -0.338375846229E+03 0.12046E-01 -0.12442E-02 5407 0.256E-01 0.252E-01 RMM: 4 -0.338375435391E+03 0.41084E-03 -0.12444E-03 4745 0.745E-02 0.102E-01 RMM: 5 -0.338375422043E+03 0.13347E-04 -0.16907E-04 3893 0.332E-02 3963 T= 6231. E= 0.67516594E+03 F= 0.61789357E+03 E0= 0.64676114E+03 EK= 0.50744E+02 SP= 0.62E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338350127360E+03 0.25308E-01 -0.11424E-01 7544 0.235E+01 0.168E-01 RMM: 2 -0.338365132448E+03 -0.15005E-01 -0.96775E-02 4840 0.751E-01 0.981E-01 RMM: 3 -0.338358629699E+03 0.65027E-02 -0.11694E-02 5661 0.218E-01 0.155E-01 RMM: 4 -0.338358386609E+03 0.24309E-03 -0.64814E-04 4992 0.530E-02 0.744E-02 RMM: 5 -0.338358339048E+03 0.47561E-04 -0.73027E-05 3409 0.259E-02 0.595E-02 RMM: 6 -0.338358330962E+03 0.80854E-05 -0.31019E-05 2677 0.166E-02 3964 T= 6276. E= 0.67516823E+03 F= 0.61791066E+03 E0= 0.64676561E+03 EK= 0.51107E+02 SP= 0.58E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338153699190E+03 0.20464E+00 -0.11729E-01 7472 0.235E+01 0.229E-01 RMM: 2 -0.338171412049E+03 -0.17713E-01 -0.87217E-02 4718 0.741E-01 0.123E+00 RMM: 3 -0.338160910130E+03 0.10502E-01 -0.11631E-02 5406 0.243E-01 0.207E-01 RMM: 4 -0.338160652345E+03 0.25778E-03 -0.10388E-03 4714 0.677E-02 0.101E-01 RMM: 5 -0.338160615744E+03 0.36602E-04 -0.13925E-04 3875 0.312E-02 0.799E-02 RMM: 6 -0.338160573589E+03 0.42155E-04 -0.32953E-05 2906 0.173E-02 0.237E-02 RMM: 7 -0.338160576179E+03 -0.25902E-05 -0.12233E-05 2480 0.118E-02 3965 T= 6300. E= 0.67517032E+03 F= 0.61810841E+03 E0= 0.64695237E+03 EK= 0.51300E+02 SP= 0.54E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337789516686E+03 0.37106E+00 -0.11514E-01 7456 0.235E+01 0.239E-01 RMM: 2 -0.337808332929E+03 -0.18816E-01 -0.85462E-02 4751 0.748E-01 0.133E+00 RMM: 3 -0.337796566654E+03 0.11766E-01 -0.11865E-02 5406 0.249E-01 0.221E-01 RMM: 4 -0.337796238028E+03 0.32863E-03 -0.10643E-03 4714 0.694E-02 0.965E-02 RMM: 5 -0.337796190299E+03 0.47729E-04 -0.14137E-04 3862 0.320E-02 0.802E-02 RMM: 6 -0.337796146255E+03 0.44044E-04 -0.36125E-05 2945 0.179E-02 0.335E-02 RMM: 7 -0.337796144617E+03 0.16372E-05 -0.18016E-05 2513 0.132E-02 3966 T= 6304. E= 0.67517301E+03 F= 0.61847284E+03 E0= 0.64730773E+03 EK= 0.51335E+02 SP= 0.50E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337277203019E+03 0.51894E+00 -0.11941E-01 7512 0.234E+01 0.156E-01 RMM: 2 -0.337290311604E+03 -0.13109E-01 -0.10021E-01 4671 0.777E-01 0.773E-01 RMM: 3 -0.337286127632E+03 0.41840E-02 -0.12428E-02 5785 0.215E-01 0.149E-01 RMM: 4 -0.337285858699E+03 0.26893E-03 -0.61600E-04 4823 0.568E-02 0.727E-02 RMM: 5 -0.337285835791E+03 0.22908E-04 -0.85194E-05 3597 0.279E-02 0.584E-02 RMM: 6 -0.337285817078E+03 0.18713E-04 -0.23344E-05 2544 0.149E-02 3967 T= 6291. E= 0.67517616E+03 F= 0.61898317E+03 E0= 0.64781007E+03 EK= 0.51231E+02 SP= 0.46E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336644411916E+03 0.64142E+00 -0.12020E-01 7504 0.233E+01 0.187E-01 RMM: 2 -0.336659339196E+03 -0.14927E-01 -0.10115E-01 4683 0.775E-01 0.942E-01 RMM: 3 -0.336653198381E+03 0.61408E-02 -0.12615E-02 5614 0.231E-01 0.171E-01 RMM: 4 -0.336652927070E+03 0.27131E-03 -0.78455E-04 4865 0.598E-02 0.795E-02 RMM: 5 -0.336652888027E+03 0.39042E-04 -0.93633E-05 3768 0.279E-02 0.646E-02 RMM: 6 -0.336652867325E+03 0.20702E-04 -0.23450E-05 2541 0.143E-02 0.455E-02 RMM: 7 -0.336652868946E+03 -0.16207E-05 -0.22375E-05 2539 0.146E-02 3968 T= 6264. E= 0.67517875E+03 F= 0.61961612E+03 E0= 0.64843529E+03 EK= 0.51011E+02 SP= 0.42E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335911684678E+03 0.74118E+00 -0.11981E-01 7720 0.232E+01 0.191E-01 RMM: 2 -0.335926281479E+03 -0.14597E-01 -0.96215E-02 4696 0.747E-01 0.950E-01 RMM: 3 -0.335920045842E+03 0.62356E-02 -0.12387E-02 5621 0.228E-01 0.170E-01 RMM: 4 -0.335919805658E+03 0.24018E-03 -0.84625E-04 4720 0.639E-02 0.105E-01 RMM: 5 -0.335919772837E+03 0.32821E-04 -0.12334E-04 3786 0.308E-02 0.868E-02 RMM: 6 -0.335919723147E+03 0.49690E-04 -0.33569E-05 2885 0.176E-02 0.277E-02 RMM: 7 -0.335919724801E+03 -0.16536E-05 -0.12896E-05 2493 0.118E-02 3969 T= 6226. E= 0.67518153E+03 F= 0.62034926E+03 E0= 0.64915945E+03 EK= 0.50698E+02 SP= 0.37E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335097902202E+03 0.82182E+00 -0.12453E-01 7712 0.231E+01 0.150E-01 RMM: 2 -0.335112836909E+03 -0.14935E-01 -0.12129E-01 4759 0.809E-01 0.744E-01 RMM: 3 -0.335108740291E+03 0.40966E-02 -0.14326E-02 5990 0.220E-01 0.137E-01 RMM: 4 -0.335108406580E+03 0.33371E-03 -0.60345E-04 4776 0.576E-02 0.915E-02 RMM: 5 -0.335108349353E+03 0.57227E-04 -0.80117E-05 3565 0.275E-02 0.560E-02 RMM: 6 -0.335108338719E+03 0.10634E-04 -0.23141E-05 2522 0.145E-02 3970 T= 6178. E= 0.67518442E+03 F= 0.62116065E+03 E0= 0.64995953E+03 EK= 0.50313E+02 SP= 0.33E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334229797068E+03 0.87855E+00 -0.11562E-01 7856 0.230E+01 0.202E-01 RMM: 2 -0.334248272517E+03 -0.18475E-01 -0.10718E-01 4787 0.762E-01 0.113E+00 RMM: 3 -0.334239076371E+03 0.91961E-02 -0.13215E-02 5587 0.239E-01 0.207E-01 RMM: 4 -0.334238705049E+03 0.37132E-03 -0.92006E-04 4943 0.626E-02 0.824E-02 RMM: 5 -0.334238671021E+03 0.34029E-04 -0.94646E-05 3748 0.263E-02 0.695E-02 RMM: 6 -0.334238656952E+03 0.14069E-04 -0.20032E-05 2527 0.129E-02 3971 T= 6125. E= 0.67518696E+03 F= 0.62203033E+03 E0= 0.65081488E+03 EK= 0.49878E+02 SP= 0.28E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333321664849E+03 0.91701E+00 -0.11864E-01 8280 0.229E+01 0.348E-01 RMM: 2 -0.333362096045E+03 -0.40431E-01 -0.11677E-01 4799 0.805E-01 0.212E+00 RMM: 3 -0.333331014675E+03 0.31081E-01 -0.18862E-02 5377 0.324E-01 0.342E-01 RMM: 4 -0.333330142100E+03 0.87257E-03 -0.21080E-03 5130 0.915E-02 0.962E-02 RMM: 5 -0.333330106848E+03 0.35252E-04 -0.21071E-04 4118 0.307E-02 0.924E-02 RMM: 6 -0.333330060421E+03 0.46427E-04 -0.27448E-05 2637 0.155E-02 0.593E-02 RMM: 7 -0.333330063729E+03 -0.33078E-05 -0.23236E-05 2570 0.147E-02 3972 T= 6068. E= 0.67518906E+03 F= 0.62293893E+03 E0= 0.65170578E+03 EK= 0.49413E+02 SP= 0.24E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332391349066E+03 0.93871E+00 -0.12484E-01 8440 0.229E+01 0.330E-01 RMM: 2 -0.332424484450E+03 -0.33135E-01 -0.12896E-01 4874 0.808E-01 0.181E+00 RMM: 3 -0.332401767116E+03 0.22717E-01 -0.17818E-02 5403 0.306E-01 0.343E-01 RMM: 4 -0.332400989765E+03 0.77735E-03 -0.20990E-03 5133 0.963E-02 0.131E-01 RMM: 5 -0.332401060422E+03 -0.70657E-04 -0.32553E-04 3919 0.417E-02 0.171E-01 RMM: 6 -0.332400871450E+03 0.18897E-03 -0.10698E-04 3726 0.298E-02 0.451E-02 RMM: 7 -0.332400864609E+03 0.68410E-05 -0.19907E-05 2557 0.129E-02 3973 T= 6010. E= 0.67519120E+03 F= 0.62386812E+03 E0= 0.65261379E+03 EK= 0.48939E+02 SP= 0.19E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331456945161E+03 0.94393E+00 -0.13383E-01 8616 0.228E+01 0.263E-01 RMM: 2 -0.331483633118E+03 -0.26688E-01 -0.14027E-01 4992 0.820E-01 0.146E+00 RMM: 3 -0.331468569030E+03 0.15064E-01 -0.15186E-02 5501 0.266E-01 0.245E-01 RMM: 4 -0.331468077846E+03 0.49118E-03 -0.13608E-03 5044 0.723E-02 0.988E-02 RMM: 5 -0.331468019479E+03 0.58366E-04 -0.15086E-04 3895 0.318E-02 0.764E-02 RMM: 6 -0.331467983745E+03 0.35735E-04 -0.31603E-05 2783 0.166E-02 0.480E-02 RMM: 7 -0.331467986005E+03 -0.22601E-05 -0.23357E-05 2558 0.147E-02 3974 T= 5952. E= 0.67519290E+03 F= 0.62480100E+03 E0= 0.65352284E+03 EK= 0.48473E+02 SP= 0.14E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330534692489E+03 0.93329E+00 -0.14115E-01 8744 0.227E+01 0.214E-01 RMM: 2 -0.330555229063E+03 -0.20537E-01 -0.14657E-01 4962 0.836E-01 0.103E+00 RMM: 3 -0.330547221496E+03 0.80076E-02 -0.14939E-02 5712 0.243E-01 0.179E-01 RMM: 4 -0.330546847230E+03 0.37427E-03 -0.98872E-04 5056 0.646E-02 0.863E-02 RMM: 5 -0.330546823995E+03 0.23234E-04 -0.12492E-04 3817 0.290E-02 0.768E-02 RMM: 6 -0.330546789291E+03 0.34705E-04 -0.26837E-05 2636 0.154E-02 0.394E-02 RMM: 7 -0.330546793168E+03 -0.38774E-05 -0.16698E-05 2507 0.131E-02 3975 T= 5899. E= 0.67519456E+03 F= 0.62572220E+03 E0= 0.65441857E+03 EK= 0.48034E+02 SP= 0.86E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329642302266E+03 0.90449E+00 -0.15059E-01 8776 0.227E+01 0.202E-01 RMM: 2 -0.329663252635E+03 -0.20950E-01 -0.16092E-01 5040 0.859E-01 0.940E-01 RMM: 3 -0.329656075153E+03 0.71775E-02 -0.15053E-02 5877 0.233E-01 0.199E-01 RMM: 4 -0.329655617508E+03 0.45765E-03 -0.91784E-04 4794 0.674E-02 0.105E-01 RMM: 5 -0.329655571965E+03 0.45543E-04 -0.14141E-04 3855 0.303E-02 0.848E-02 RMM: 6 -0.329655527786E+03 0.44179E-04 -0.34256E-05 2927 0.175E-02 0.413E-02 RMM: 7 -0.329655531211E+03 -0.34252E-05 -0.20795E-05 2519 0.139E-02 3976 T= 5850. E= 0.67519657E+03 F= 0.62661346E+03 E0= 0.65528453E+03 EK= 0.47642E+02 SP= 0.30E+00 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328808459498E+03 0.84707E+00 -0.15290E-01 8976 0.226E+01 0.217E-01 RMM: 2 -0.328829283721E+03 -0.20824E-01 -0.14703E-01 5128 0.818E-01 0.105E+00 RMM: 3 -0.328820856335E+03 0.84274E-02 -0.13053E-02 5734 0.232E-01 0.197E-01 RMM: 4 -0.328820491010E+03 0.36532E-03 -0.91002E-04 4957 0.633E-02 0.991E-02 RMM: 5 -0.328820455100E+03 0.35910E-04 -0.13187E-04 3825 0.297E-02 0.864E-02 RMM: 6 -0.328820412039E+03 0.43061E-04 -0.33698E-05 2925 0.173E-02 0.458E-02 RMM: 7 -0.328820421005E+03 -0.89665E-05 -0.27821E-05 2591 0.158E-02 3977 T= 5811. E= 0.67519893E+03 F= 0.62744857E+03 E0= 0.65609638E+03 EK= 0.47325E+02 SP= -.27E+00 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328067941588E+03 0.75247E+00 -0.15566E-01 8944 0.225E+01 0.205E-01 RMM: 2 -0.328087360736E+03 -0.19419E-01 -0.15263E-01 5214 0.824E-01 0.894E-01 RMM: 3 -0.328080799160E+03 0.65616E-02 -0.13302E-02 5885 0.225E-01 0.201E-01 RMM: 4 -0.328080399947E+03 0.39921E-03 -0.85585E-04 4804 0.633E-02 0.104E-01 RMM: 5 -0.328080347882E+03 0.52065E-04 -0.12706E-04 3816 0.293E-02 0.831E-02 RMM: 6 -0.328080310142E+03 0.37740E-04 -0.32349E-05 2877 0.170E-02 0.497E-02 RMM: 7 -0.328080316985E+03 -0.68435E-05 -0.29224E-05 2597 0.162E-02 3978 T= 5787. E= 0.67520225E+03 F= 0.62818867E+03 E0= 0.65681715E+03 EK= 0.47125E+02 SP= -.87E+00 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327476126957E+03 0.60418E+00 -0.15459E-01 8832 0.224E+01 0.238E-01 RMM: 2 -0.327498915177E+03 -0.22788E-01 -0.15607E-01 5186 0.847E-01 0.113E+00 RMM: 3 -0.327489145268E+03 0.97699E-02 -0.14198E-02 5744 0.243E-01 0.213E-01 RMM: 4 -0.327488742736E+03 0.40253E-03 -0.10153E-03 4908 0.665E-02 0.108E-01 RMM: 5 -0.327488692548E+03 0.50187E-04 -0.14245E-04 3834 0.311E-02 0.931E-02 RMM: 6 -0.327488644395E+03 0.48153E-04 -0.39503E-05 3016 0.185E-02 0.514E-02 RMM: 7 -0.327488654948E+03 -0.10552E-04 -0.36723E-05 2730 0.176E-02 3979 T= 5783. E= 0.67520589E+03 F= 0.62878033E+03 E0= 0.65739509E+03 EK= 0.47096E+02 SP= -.15E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327089546065E+03 0.39910E+00 -0.14540E-01 8840 0.223E+01 0.227E-01 RMM: 2 -0.327110194513E+03 -0.20648E-01 -0.14723E-01 5374 0.804E-01 0.102E+00 RMM: 3 -0.327101713970E+03 0.84805E-02 -0.12296E-02 5705 0.225E-01 0.233E-01 RMM: 4 -0.327101279185E+03 0.43479E-03 -0.98035E-04 4811 0.662E-02 0.996E-02 RMM: 5 -0.327101239055E+03 0.40130E-04 -0.13665E-04 3845 0.296E-02 0.923E-02 RMM: 6 -0.327101193938E+03 0.45118E-04 -0.35929E-05 2953 0.181E-02 0.513E-02 RMM: 7 -0.327101205879E+03 -0.11941E-04 -0.28901E-05 2620 0.157E-02 3980 T= 5808. E= 0.67520822E+03 F= 0.62916778E+03 E0= 0.65777527E+03 EK= 0.47296E+02 SP= -.22E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326941438892E+03 0.15976E+00 -0.13800E-01 8920 0.223E+01 0.231E-01 RMM: 2 -0.326962882165E+03 -0.21443E-01 -0.14681E-01 5239 0.805E-01 0.109E+00 RMM: 3 -0.326953542721E+03 0.93394E-02 -0.12714E-02 5673 0.230E-01 0.219E-01 RMM: 4 -0.326953141435E+03 0.40129E-03 -0.98477E-04 4878 0.651E-02 0.977E-02 RMM: 5 -0.326953114700E+03 0.26735E-04 -0.13826E-04 3843 0.301E-02 0.933E-02 RMM: 6 -0.326953065319E+03 0.49381E-04 -0.39025E-05 3037 0.185E-02 0.450E-02 RMM: 7 -0.326953081681E+03 -0.16362E-04 -0.35362E-05 2771 0.172E-02 3981 T= 5865. E= 0.67520728E+03 F= 0.62931591E+03 E0= 0.65792206E+03 EK= 0.47760E+02 SP= -.28E+01 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327021782794E+03 -0.68717E-01 -0.13707E-01 9032 0.223E+01 0.197E-01 RMM: 2 -0.327039599506E+03 -0.17817E-01 -0.13198E-01 5475 0.730E-01 0.911E-01 RMM: 3 -0.327032558514E+03 0.70410E-02 -0.91937E-03 5629 0.200E-01 0.195E-01 RMM: 4 -0.327032289178E+03 0.26934E-03 -0.84051E-04 4855 0.599E-02 0.978E-02 RMM: 5 -0.327032251783E+03 0.37395E-04 -0.11144E-04 3777 0.259E-02 0.888E-02 RMM: 6 -0.327032212448E+03 0.39334E-04 -0.31691E-05 2882 0.172E-02 0.491E-02 RMM: 7 -0.327032227767E+03 -0.15318E-04 -0.25896E-05 2590 0.146E-02 3982 T= 5953. E= 0.67520236E+03 F= 0.62923676E+03 E0= 0.65784696E+03 EK= 0.48477E+02 SP= -.35E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327263198454E+03 -0.23099E+00 -0.14984E-01 9048 0.226E+01 0.185E-01 RMM: 2 -0.327280617511E+03 -0.17419E-01 -0.14175E-01 5668 0.757E-01 0.824E-01 RMM: 3 -0.327275142426E+03 0.54751E-02 -0.92627E-03 5715 0.194E-01 0.177E-01 RMM: 4 -0.327274891789E+03 0.25064E-03 -0.69483E-04 4840 0.543E-02 0.101E-01 RMM: 5 -0.327274846248E+03 0.45541E-04 -0.90702E-05 3640 0.246E-02 0.779E-02 RMM: 6 -0.327274823849E+03 0.22400E-04 -0.26222E-05 2657 0.157E-02 0.557E-02 RMM: 7 -0.327274842342E+03 -0.18493E-04 -0.38277E-05 2905 0.174E-02 3983 T= 6065. E= 0.67519595E+03 F= 0.62899415E+03 E0= 0.65761060E+03 EK= 0.49386E+02 SP= -.43E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327582031625E+03 -0.30721E+00 -0.17350E-01 9160 0.228E+01 0.190E-01 RMM: 2 -0.327601652285E+03 -0.19621E-01 -0.15866E-01 5817 0.808E-01 0.844E-01 RMM: 3 -0.327595837114E+03 0.58152E-02 -0.96209E-03 5568 0.203E-01 0.190E-01 RMM: 4 -0.327595595364E+03 0.24175E-03 -0.80602E-04 4841 0.575E-02 0.115E-01 RMM: 5 -0.327595527270E+03 0.68094E-04 -0.10360E-04 3746 0.258E-02 0.857E-02 RMM: 6 -0.327595505729E+03 0.21540E-04 -0.27727E-05 2697 0.160E-02 0.690E-02 RMM: 7 -0.327595525616E+03 -0.19887E-04 -0.41559E-05 2971 0.178E-02 3984 T= 6189. E= 0.67519041E+03 F= 0.62867346E+03 E0= 0.65729671E+03 EK= 0.50403E+02 SP= -.50E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327906595891E+03 -0.31109E+00 -0.19984E-01 9144 0.231E+01 0.212E-01 RMM: 2 -0.327927824008E+03 -0.21228E-01 -0.17077E-01 6078 0.822E-01 0.921E-01 RMM: 3 -0.327921232534E+03 0.65915E-02 -0.91688E-03 5516 0.207E-01 0.184E-01 RMM: 4 -0.327921051372E+03 0.18116E-03 -0.88104E-04 5252 0.549E-02 0.118E-01 RMM: 5 -0.327920981437E+03 0.69935E-04 -0.83071E-05 3585 0.238E-02 0.885E-02 RMM: 6 -0.327920967262E+03 0.14175E-04 -0.25273E-05 2601 0.152E-02 3985 T= 6318. E= 0.67518757E+03 F= 0.62834802E+03 E0= 0.65697439E+03 EK= 0.51454E+02 SP= -.58E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328195090617E+03 -0.27411E+00 -0.22806E-01 8992 0.233E+01 0.334E-01 RMM: 2 -0.328235479367E+03 -0.40389E-01 -0.20163E-01 5700 0.902E-01 0.182E+00 RMM: 3 -0.328211932980E+03 0.23546E-01 -0.16720E-02 5395 0.295E-01 0.352E-01 RMM: 4 -0.328211112167E+03 0.82081E-03 -0.19705E-03 4937 0.853E-02 0.136E-01 RMM: 5 -0.328211050202E+03 0.61965E-04 -0.20534E-04 4425 0.310E-02 0.117E-01 RMM: 6 -0.328211026744E+03 0.23458E-04 -0.29314E-05 2625 0.159E-02 0.107E-01 RMM: 7 -0.328211110933E+03 -0.84189E-04 -0.10939E-04 3812 0.275E-02 0.149E-01 RMM: 8 -0.328211013407E+03 0.97526E-04 -0.20981E-04 3898 0.312E-02 0.704E-02 RMM: 9 -0.328210989971E+03 0.23436E-04 -0.42308E-05 3054 0.180E-02 0.384E-02 RMM: 10 -0.328210992362E+03 -0.23916E-05 -0.15264E-05 2511 0.128E-02 3986 T= 6446. E= 0.67518678E+03 F= 0.62805800E+03 E0= 0.65668333E+03 EK= 0.52492E+02 SP= -.65E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328433009650E+03 -0.22202E+00 -0.25205E-01 8944 0.235E+01 0.328E-01 RMM: 2 -0.328469743398E+03 -0.36734E-01 -0.21475E-01 5708 0.907E-01 0.159E+00 RMM: 3 -0.328450765882E+03 0.18978E-01 -0.14606E-02 5414 0.272E-01 0.292E-01 RMM: 4 -0.328450394896E+03 0.37099E-03 -0.21313E-03 4949 0.101E-01 0.210E-01 RMM: 5 -0.328450268122E+03 0.12677E-03 -0.34567E-04 3930 0.455E-02 0.164E-01 RMM: 6 -0.328450106726E+03 0.16140E-03 -0.10490E-04 3780 0.286E-02 0.590E-02 RMM: 7 -0.328450174695E+03 -0.67969E-04 -0.70544E-05 3488 0.219E-02 0.109E-01 RMM: 8 -0.328450119286E+03 0.55409E-04 -0.54151E-05 3289 0.220E-02 0.411E-02 RMM: 9 -0.328450116381E+03 0.29044E-05 -0.18406E-05 2530 0.125E-02 3987 T= 6569. E= 0.67518612E+03 F= 0.62781887E+03 E0= 0.65643528E+03 EK= 0.53497E+02 SP= -.73E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328604427458E+03 -0.15431E+00 -0.27960E-01 8936 0.236E+01 0.182E-01 RMM: 2 -0.328629913911E+03 -0.25486E-01 -0.21660E-01 5992 0.892E-01 0.866E-01 RMM: 3 -0.328623055312E+03 0.68586E-02 -0.10777E-02 5705 0.210E-01 0.172E-01 RMM: 4 -0.328622810482E+03 0.24483E-03 -0.81503E-04 4874 0.582E-02 0.114E-01 RMM: 5 -0.328622729781E+03 0.80701E-04 -0.96148E-05 3713 0.244E-02 0.781E-02 RMM: 6 -0.328622714585E+03 0.15196E-04 -0.22567E-05 2567 0.143E-02 3988 T= 6686. E= 0.67518381E+03 F= 0.62764627E+03 E0= 0.65624634E+03 EK= 0.54445E+02 SP= -.81E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328677404935E+03 -0.54675E-01 -0.30726E-01 8912 0.238E+01 0.278E-01 RMM: 2 -0.328713329569E+03 -0.35925E-01 -0.23989E-01 5578 0.967E-01 0.145E+00 RMM: 3 -0.328697584301E+03 0.15745E-01 -0.17427E-02 5514 0.282E-01 0.272E-01 RMM: 4 -0.328697053184E+03 0.53112E-03 -0.16967E-03 5438 0.736E-02 0.121E-01 RMM: 5 -0.328696980603E+03 0.72581E-04 -0.12260E-04 4061 0.280E-02 0.106E-01 RMM: 6 -0.328696968194E+03 0.12409E-04 -0.33009E-05 2647 0.167E-02 3989 T= 6791. E= 0.67518013E+03 F= 0.62757202E+03 E0= 0.65614938E+03 EK= 0.55299E+02 SP= -.88E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328610780956E+03 0.86200E-01 -0.32762E-01 8856 0.240E+01 0.572E-01 RMM: 2 -0.328705414853E+03 -0.94634E-01 -0.27985E-01 5171 0.111E+00 0.323E+00 RMM: 3 -0.328632538943E+03 0.72876E-01 -0.38222E-02 5349 0.472E-01 0.631E-01 RMM: 4 -0.328629670864E+03 0.28681E-02 -0.50835E-03 5389 0.146E-01 0.151E-01 RMM: 5 -0.328629632945E+03 0.37919E-04 -0.59077E-04 4243 0.459E-02 0.148E-01 RMM: 6 -0.328629520458E+03 0.11249E-03 -0.93321E-05 3763 0.254E-02 0.834E-02 RMM: 7 -0.328629539523E+03 -0.19065E-04 -0.56454E-05 3340 0.204E-02 3990 T= 6878. E= 0.67517714E+03 F= 0.62763945E+03 E0= 0.65618964E+03 EK= 0.56011E+02 SP= -.96E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328362170444E+03 0.26735E+00 -0.32650E-01 8968 0.242E+01 0.512E-01 RMM: 2 -0.328447413509E+03 -0.85243E-01 -0.27148E-01 5192 0.105E+00 0.299E+00 RMM: 3 -0.328383974249E+03 0.63439E-01 -0.33865E-02 5383 0.434E-01 0.520E-01 RMM: 4 -0.328382132152E+03 0.18421E-02 -0.44386E-03 5421 0.135E-01 0.194E-01 RMM: 5 -0.328382234549E+03 -0.10240E-03 -0.65570E-04 4432 0.571E-02 0.225E-01 RMM: 6 -0.328381925408E+03 0.30914E-03 -0.20455E-04 3887 0.371E-02 0.760E-02 RMM: 7 -0.328381939598E+03 -0.14190E-04 -0.67968E-05 3446 0.219E-02 3991 T= 6943. E= 0.67517569E+03 F= 0.62788705E+03 E0= 0.65640752E+03 EK= 0.56538E+02 SP= -.10E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327913680299E+03 0.46825E+00 -0.34503E-01 8968 0.244E+01 0.385E-01 RMM: 2 -0.327971456044E+03 -0.57776E-01 -0.27554E-01 5316 0.109E+00 0.219E+00 RMM: 3 -0.327936584116E+03 0.34872E-01 -0.25249E-02 5435 0.353E-01 0.379E-01 RMM: 4 -0.327935504694E+03 0.10794E-02 -0.27426E-03 5258 0.103E-01 0.119E-01 RMM: 5 -0.327935464251E+03 0.40443E-04 -0.31837E-04 4021 0.376E-02 0.119E-01 RMM: 6 -0.327935386393E+03 0.77858E-04 -0.70600E-05 3488 0.235E-02 0.609E-02 RMM: 7 -0.327935393245E+03 -0.68524E-05 -0.26998E-05 2639 0.151E-02 3992 T= 6982. E= 0.67517606E+03 F= 0.62833360E+03 E0= 0.65682196E+03 EK= 0.56856E+02 SP= -.11E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327280363533E+03 0.65502E+00 -0.30586E-01 9000 0.245E+01 0.218E-01 RMM: 2 -0.327309953090E+03 -0.29590E-01 -0.22272E-01 5748 0.959E-01 0.111E+00 RMM: 3 -0.327300065135E+03 0.98880E-02 -0.14052E-02 5549 0.254E-01 0.218E-01 RMM: 4 -0.327299698655E+03 0.36648E-03 -0.11138E-03 5082 0.667E-02 0.103E-01 RMM: 5 -0.327299660321E+03 0.38334E-04 -0.12982E-04 3914 0.297E-02 0.852E-02 RMM: 6 -0.327299628856E+03 0.31464E-04 -0.29625E-05 2676 0.162E-02 0.617E-02 RMM: 7 -0.327299657846E+03 -0.28989E-04 -0.44328E-05 3124 0.189E-02 0.924E-02 RMM: 8 -0.327299610615E+03 0.47231E-04 -0.78183E-05 3761 0.221E-02 0.345E-02 RMM: 9 -0.327299607730E+03 0.28845E-05 -0.15665E-05 2514 0.114E-02 3993 T= 6996. E= 0.67517833E+03 F= 0.62896938E+03 E0= 0.65742805E+03 EK= 0.56969E+02 SP= -.12E+02 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326491619012E+03 0.80799E+00 -0.27493E-01 8960 0.245E+01 0.192E-01 RMM: 2 -0.326516724014E+03 -0.25105E-01 -0.21137E-01 5697 0.933E-01 0.863E-01 RMM: 3 -0.326510086351E+03 0.66377E-02 -0.12897E-02 5695 0.230E-01 0.155E-01 RMM: 4 -0.326509946739E+03 0.13961E-03 -0.92557E-04 4820 0.677E-02 0.159E-01 RMM: 5 -0.326509795044E+03 0.15169E-03 -0.15399E-04 3901 0.313E-02 0.868E-02 RMM: 6 -0.326509760515E+03 0.34529E-04 -0.43457E-05 3091 0.194E-02 0.500E-02 RMM: 7 -0.326509778622E+03 -0.18106E-04 -0.36876E-05 2814 0.180E-02 3994 T= 6988. E= 0.67518213E+03 F= 0.62975921E+03 E0= 0.65819076E+03 EK= 0.56910E+02 SP= -.12E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325600927755E+03 0.90883E+00 -0.23734E-01 8968 0.245E+01 0.173E-01 RMM: 2 -0.325624236985E+03 -0.23309E-01 -0.19648E-01 5446 0.927E-01 0.834E-01 RMM: 3 -0.325618280150E+03 0.59568E-02 -0.14864E-02 5848 0.233E-01 0.176E-01 RMM: 4 -0.325617889528E+03 0.39062E-03 -0.78406E-04 4981 0.591E-02 0.879E-02 RMM: 5 -0.325617858071E+03 0.31457E-04 -0.87892E-05 3743 0.243E-02 0.757E-02 RMM: 6 -0.325617849004E+03 0.90662E-05 -0.22270E-05 2554 0.143E-02 3995 T= 6966. E= 0.67518600E+03 F= 0.63065114E+03 E0= 0.65906030E+03 EK= 0.56727E+02 SP= -.13E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324661525282E+03 0.95633E+00 -0.20193E-01 8720 0.245E+01 0.287E-01 RMM: 2 -0.324694979806E+03 -0.33455E-01 -0.19161E-01 5073 0.943E-01 0.154E+00 RMM: 3 -0.324677626033E+03 0.17354E-01 -0.19110E-02 5448 0.302E-01 0.256E-01 RMM: 4 -0.324677125819E+03 0.50021E-03 -0.18228E-03 5366 0.779E-02 0.107E-01 RMM: 5 -0.324677055885E+03 0.69933E-04 -0.13370E-04 4143 0.294E-02 0.866E-02 RMM: 6 -0.324677036634E+03 0.19251E-04 -0.23188E-05 2555 0.142E-02 3996 T= 6935. E= 0.67518985E+03 F= 0.63159195E+03 E0= 0.65998282E+03 EK= 0.56474E+02 SP= -.14E+02 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323721513494E+03 0.95554E+00 -0.16571E-01 8432 0.246E+01 0.438E-01 RMM: 2 -0.323770605509E+03 -0.49092E-01 -0.17298E-01 4895 0.958E-01 0.225E+00 RMM: 3 -0.323735451634E+03 0.35154E-01 -0.26342E-02 5376 0.386E-01 0.505E-01 RMM: 4 -0.323733546167E+03 0.19055E-02 -0.31180E-03 5320 0.116E-01 0.100E-01 RMM: 5 -0.323733522809E+03 0.23358E-04 -0.41481E-04 5227 0.319E-02 0.965E-02 RMM: 6 -0.323733472885E+03 0.49924E-04 -0.22669E-05 2619 0.147E-02 0.727E-02 RMM: 7 -0.323733523638E+03 -0.50753E-04 -0.86878E-05 3703 0.242E-02 0.116E-01 RMM: 8 -0.323733450645E+03 0.72993E-04 -0.90689E-05 3864 0.219E-02 0.525E-02 RMM: 9 -0.323733438654E+03 0.11991E-04 -0.22901E-05 2618 0.138E-02 3997 T= 6901. E= 0.67519223E+03 F= 0.63253555E+03 E0= 0.66091166E+03 EK= 0.56195E+02 SP= -.14E+02 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322804709183E+03 0.92874E+00 -0.14443E-01 7944 0.246E+01 0.349E-01 RMM: 2 -0.322839997817E+03 -0.35289E-01 -0.14896E-01 4829 0.868E-01 0.180E+00 RMM: 3 -0.322816651223E+03 0.23347E-01 -0.18233E-02 5383 0.314E-01 0.309E-01 RMM: 4 -0.322816239315E+03 0.41191E-03 -0.25021E-03 5264 0.107E-01 0.209E-01 RMM: 5 -0.322816218802E+03 0.20514E-04 -0.37745E-04 3969 0.432E-02 0.206E-01 RMM: 6 -0.322815935624E+03 0.28318E-03 -0.15728E-04 3879 0.354E-02 0.429E-02 RMM: 7 -0.322815967257E+03 -0.31633E-04 -0.46888E-05 3182 0.194E-02 0.773E-02 RMM: 8 -0.322815937301E+03 0.29955E-04 -0.23146E-05 2613 0.163E-02 0.330E-02 RMM: 9 -0.322815933385E+03 0.39163E-05 -0.95432E-06 2469 0.927E-03 3998 T= 6867. E= 0.67519327E+03 F= 0.63345306E+03 E0= 0.66181813E+03 EK= 0.55922E+02 SP= -.15E+02 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321924060590E+03 0.89188E+00 -0.13063E-01 7664 0.246E+01 0.221E-01 RMM: 2 -0.321942976252E+03 -0.18916E-01 -0.12145E-01 4886 0.813E-01 0.109E+00 RMM: 3 -0.321934444180E+03 0.85321E-02 -0.13486E-02 5579 0.246E-01 0.247E-01 RMM: 4 -0.321933952503E+03 0.49168E-03 -0.10370E-03 4800 0.683E-02 0.766E-02 RMM: 5 -0.321933921321E+03 0.31182E-04 -0.13462E-04 3900 0.293E-02 0.774E-02 RMM: 6 -0.321933885806E+03 0.35516E-04 -0.26840E-05 2607 0.154E-02 0.459E-02 RMM: 7 -0.321933886556E+03 -0.75003E-06 -0.27717E-05 2617 0.166E-02 3999 T= 6836. E= 0.67519414E+03 F= 0.63433510E+03 E0= 0.66269129E+03 EK= 0.55666E+02 SP= -.15E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321079802173E+03 0.85408E+00 -0.12538E-01 7592 0.246E+01 0.167E-01 RMM: 2 -0.321092546414E+03 -0.12744E-01 -0.10712E-01 4865 0.778E-01 0.683E-01 RMM: 3 -0.321089141797E+03 0.34046E-02 -0.12332E-02 5922 0.211E-01 0.150E-01 RMM: 4 -0.321088854927E+03 0.28687E-03 -0.60524E-04 4796 0.553E-02 0.892E-02 RMM: 5 -0.321088809467E+03 0.45460E-04 -0.85138E-05 3621 0.262E-02 0.649E-02 RMM: 6 -0.321088790989E+03 0.18479E-04 -0.24139E-05 2553 0.151E-02 4000 T= 6807. E= 0.67519476E+03 F= 0.63518020E+03 E0= 0.66352936E+03 EK= 0.55430E+02 SP= -.16E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320269836896E+03 0.81897E+00 -0.13263E-01 7456 0.246E+01 0.236E-01 RMM: 2 -0.320290057325E+03 -0.20220E-01 -0.13349E-01 4812 0.874E-01 0.112E+00 RMM: 3 -0.320281206155E+03 0.88512E-02 -0.15743E-02 5590 0.260E-01 0.229E-01 RMM: 4 -0.320280749694E+03 0.45646E-03 -0.11280E-03 4988 0.681E-02 0.876E-02 RMM: 5 -0.320280707210E+03 0.42484E-04 -0.13692E-04 3989 0.303E-02 0.762E-02 RMM: 6 -0.320280676032E+03 0.31178E-04 -0.28640E-05 2620 0.160E-02 0.511E-02 RMM: 7 -0.320280683431E+03 -0.73985E-05 -0.28862E-05 2654 0.166E-02 4001 T= 6781. E= 0.67519652E+03 F= 0.63598831E+03 E0= 0.66433200E+03 EK= 0.55218E+02 SP= -.17E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319511908126E+03 0.76877E+00 -0.12159E-01 7472 0.246E+01 0.230E-01 RMM: 2 -0.319528364583E+03 -0.16456E-01 -0.10285E-01 4811 0.783E-01 0.106E+00 RMM: 3 -0.319520591041E+03 0.77735E-02 -0.12300E-02 5568 0.236E-01 0.232E-01 RMM: 4 -0.319520216957E+03 0.37408E-03 -0.11127E-03 4691 0.757E-02 0.119E-01 RMM: 5 -0.319520195645E+03 0.21311E-04 -0.18041E-04 3887 0.338E-02 0.113E-01 RMM: 6 -0.319520115450E+03 0.80196E-04 -0.50168E-05 3175 0.216E-02 0.370E-02 RMM: 7 -0.319520117181E+03 -0.17319E-05 -0.19371E-05 2522 0.140E-02 4002 T= 6759. E= 0.67519930E+03 F= 0.63674887E+03 E0= 0.66508990E+03 EK= 0.55042E+02 SP= -.17E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318820847104E+03 0.69927E+00 -0.12205E-01 7640 0.245E+01 0.228E-01 RMM: 2 -0.318840829023E+03 -0.19982E-01 -0.12720E-01 4831 0.842E-01 0.115E+00 RMM: 3 -0.318831453423E+03 0.93756E-02 -0.14612E-02 5620 0.253E-01 0.188E-01 RMM: 4 -0.318831147482E+03 0.30594E-03 -0.10192E-03 4935 0.661E-02 0.103E-01 RMM: 5 -0.318831084905E+03 0.62577E-04 -0.13635E-04 3917 0.308E-02 0.762E-02 RMM: 6 -0.318831049475E+03 0.35430E-04 -0.32109E-05 2770 0.168E-02 0.438E-02 RMM: 7 -0.318831049541E+03 -0.65418E-07 -0.17485E-05 2521 0.131E-02 4003 T= 6745. E= 0.67520279E+03 F= 0.63743794E+03 E0= 0.66577970E+03 EK= 0.54925E+02 SP= -.18E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318240634993E+03 0.59041E+00 -0.12115E-01 7880 0.244E+01 0.177E-01 RMM: 2 -0.318255472351E+03 -0.14837E-01 -0.11556E-01 4860 0.783E-01 0.806E-01 RMM: 3 -0.318250563386E+03 0.49090E-02 -0.13004E-02 5777 0.231E-01 0.157E-01 RMM: 4 -0.318250313220E+03 0.25017E-03 -0.73063E-04 4921 0.578E-02 0.900E-02 RMM: 5 -0.318250264700E+03 0.48520E-04 -0.94122E-05 3652 0.268E-02 0.668E-02 RMM: 6 -0.318250243229E+03 0.21471E-04 -0.24326E-05 2568 0.150E-02 0.455E-02 RMM: 7 -0.318250244886E+03 -0.16570E-05 -0.23247E-05 2592 0.146E-02 4004 T= 6742. E= 0.67520639E+03 F= 0.63801874E+03 E0= 0.66636652E+03 EK= 0.54907E+02 SP= -.18E+02 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317813083079E+03 0.43716E+00 -0.12765E-01 8000 0.243E+01 0.196E-01 RMM: 2 -0.317829716725E+03 -0.16634E-01 -0.13383E-01 4844 0.838E-01 0.831E-01 RMM: 3 -0.317824570114E+03 0.51466E-02 -0.15132E-02 5959 0.240E-01 0.173E-01 RMM: 4 -0.317824231051E+03 0.33906E-03 -0.81209E-04 4770 0.635E-02 0.114E-01 RMM: 5 -0.317824161955E+03 0.69095E-04 -0.12105E-04 3759 0.294E-02 0.808E-02 RMM: 6 -0.317824122532E+03 0.39423E-04 -0.30854E-05 2757 0.168E-02 0.423E-02 RMM: 7 -0.317824121961E+03 0.57086E-06 -0.20492E-05 2549 0.139E-02 4005 T= 6758. E= 0.67520979E+03 F= 0.63844487E+03 E0= 0.66680504E+03 EK= 0.55034E+02 SP= -.19E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317589309455E+03 0.23481E+00 -0.13532E-01 8176 0.243E+01 0.199E-01 RMM: 2 -0.317608264653E+03 -0.18955E-01 -0.14636E-01 4940 0.858E-01 0.900E-01 RMM: 3 -0.317601893410E+03 0.63712E-02 -0.15795E-02 5853 0.247E-01 0.198E-01 RMM: 4 -0.317601472053E+03 0.42136E-03 -0.90555E-04 4875 0.647E-02 0.882E-02 RMM: 5 -0.317601431229E+03 0.40824E-04 -0.11712E-04 3855 0.276E-02 0.768E-02 RMM: 6 -0.317601402797E+03 0.28432E-04 -0.25878E-05 2593 0.154E-02 0.497E-02 RMM: 7 -0.317601407107E+03 -0.43104E-05 -0.22868E-05 2583 0.145E-02 4006 T= 6798. E= 0.67521309E+03 F= 0.63866758E+03 E0= 0.66704685E+03 EK= 0.55356E+02 SP= -.19E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317613725277E+03 -0.12322E-01 -0.14704E-01 8448 0.243E+01 0.207E-01 RMM: 2 -0.317633030034E+03 -0.19305E-01 -0.15450E-01 4905 0.879E-01 0.877E-01 RMM: 3 -0.317627086555E+03 0.59435E-02 -0.17282E-02 5927 0.257E-01 0.188E-01 RMM: 4 -0.317626690037E+03 0.39652E-03 -0.92370E-04 4911 0.651E-02 0.101E-01 RMM: 5 -0.317626644517E+03 0.45521E-04 -0.12894E-04 3802 0.296E-02 0.780E-02 RMM: 6 -0.317626610658E+03 0.33859E-04 -0.28436E-05 2666 0.159E-02 0.441E-02 RMM: 7 -0.317626614139E+03 -0.34811E-05 -0.21163E-05 2551 0.146E-02 4007 T= 6867. E= 0.67521573E+03 F= 0.63864238E+03 E0= 0.66704572E+03 EK= 0.55917E+02 SP= -.20E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317915365101E+03 -0.28875E+00 -0.16229E-01 8544 0.244E+01 0.206E-01 RMM: 2 -0.317938081249E+03 -0.22716E-01 -0.17729E-01 5066 0.921E-01 0.968E-01 RMM: 3 -0.317930588125E+03 0.74931E-02 -0.17512E-02 5857 0.256E-01 0.191E-01 RMM: 4 -0.317930158020E+03 0.43010E-03 -0.10009E-03 4907 0.679E-02 0.101E-01 RMM: 5 -0.317930111827E+03 0.46193E-04 -0.13753E-04 3863 0.300E-02 0.840E-02 RMM: 6 -0.317930072296E+03 0.39531E-04 -0.32635E-05 2838 0.171E-02 0.464E-02 RMM: 7 -0.317930077361E+03 -0.50656E-05 -0.23656E-05 2575 0.149E-02 4008 T= 6968. E= 0.67521608E+03 F= 0.63833891E+03 E0= 0.66676881E+03 EK= 0.56747E+02 SP= -.20E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318497607472E+03 -0.56754E+00 -0.18044E-01 8632 0.245E+01 0.202E-01 RMM: 2 -0.318521329949E+03 -0.23722E-01 -0.19898E-01 5092 0.973E-01 0.882E-01 RMM: 3 -0.318514958814E+03 0.63711E-02 -0.18571E-02 5982 0.260E-01 0.185E-01 RMM: 4 -0.318514482596E+03 0.47622E-03 -0.92161E-04 5001 0.661E-02 0.101E-01 RMM: 5 -0.318514435319E+03 0.47278E-04 -0.12710E-04 3875 0.300E-02 0.752E-02 RMM: 6 -0.318514406419E+03 0.28900E-04 -0.28716E-05 2662 0.159E-02 0.465E-02 RMM: 7 -0.318514411592E+03 -0.51734E-05 -0.25024E-05 2580 0.155E-02 4009 T= 7103. E= 0.67521393E+03 F= 0.63775458E+03 E0= 0.66620975E+03 EK= 0.57844E+02 SP= -.21E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319332430928E+03 -0.81802E+00 -0.20427E-01 8408 0.247E+01 0.187E-01 RMM: 2 -0.319358380808E+03 -0.25950E-01 -0.22307E-01 5293 0.101E+00 0.865E-01 RMM: 3 -0.319351928323E+03 0.64525E-02 -0.18985E-02 5970 0.256E-01 0.154E-01 RMM: 4 -0.319351569156E+03 0.35917E-03 -0.94956E-04 4880 0.669E-02 0.125E-01 RMM: 5 -0.319351476145E+03 0.93011E-04 -0.13933E-04 3835 0.300E-02 0.752E-02 RMM: 6 -0.319351449625E+03 0.26520E-04 -0.33395E-05 2856 0.172E-02 0.483E-02 RMM: 7 -0.319351453880E+03 -0.42546E-05 -0.23420E-05 2568 0.147E-02 4010 T= 7267. E= 0.67520942E+03 F= 0.63691754E+03 E0= 0.66539343E+03 EK= 0.59177E+02 SP= -.21E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320367338964E+03 -0.10159E+01 -0.20623E-01 8848 0.250E+01 0.179E-01 RMM: 2 -0.320389071905E+03 -0.21733E-01 -0.19686E-01 5528 0.924E-01 0.708E-01 RMM: 3 -0.320384196534E+03 0.48754E-02 -0.14502E-02 6048 0.228E-01 0.150E-01 RMM: 4 -0.320383915919E+03 0.28062E-03 -0.74410E-04 4866 0.577E-02 0.117E-01 RMM: 5 -0.320383833158E+03 0.82761E-04 -0.11526E-04 3733 0.282E-02 0.691E-02 RMM: 6 -0.320383814558E+03 0.18600E-04 -0.27438E-05 2627 0.155E-02 4011 T= 7452. E= 0.67520332E+03 F= 0.63588517E+03 E0= 0.66437432E+03 EK= 0.60683E+02 SP= -.22E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321514632061E+03 -0.11308E+01 -0.21514E-01 8880 0.253E+01 0.207E-01 RMM: 2 -0.321539811031E+03 -0.25179E-01 -0.19977E-01 5522 0.920E-01 0.992E-01 RMM: 3 -0.321531389677E+03 0.84214E-02 -0.14706E-02 5710 0.244E-01 0.155E-01 RMM: 4 -0.321531143332E+03 0.24635E-03 -0.98545E-04 5417 0.609E-02 0.117E-01 RMM: 5 -0.321531052175E+03 0.91156E-04 -0.10802E-04 3798 0.275E-02 0.710E-02 RMM: 6 -0.321531041951E+03 0.10225E-04 -0.28103E-05 2616 0.153E-02 4012 T= 7647. E= 0.67519604E+03 F= 0.63473795E+03 E0= 0.66323152E+03 EK= 0.62272E+02 SP= -.22E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322687421312E+03 -0.11564E+01 -0.21244E-01 8888 0.256E+01 0.348E-01 RMM: 2 -0.322731353134E+03 -0.43932E-01 -0.19601E-01 5339 0.947E-01 0.196E+00 RMM: 3 -0.322703096577E+03 0.28257E-01 -0.19644E-02 5427 0.316E-01 0.344E-01 RMM: 4 -0.322702209125E+03 0.88745E-03 -0.22604E-03 5036 0.976E-02 0.110E-01 RMM: 5 -0.322702199114E+03 0.10011E-04 -0.27600E-04 4096 0.359E-02 0.120E-01 RMM: 6 -0.322702110486E+03 0.88627E-04 -0.51100E-05 3197 0.207E-02 0.531E-02 RMM: 7 -0.322702119607E+03 -0.91208E-05 -0.28597E-05 2637 0.158E-02 4013 T= 7840. E= 0.67518892E+03 F= 0.63356687E+03 E0= 0.66205547E+03 EK= 0.63845E+02 SP= -.22E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323795656969E+03 -0.10935E+01 -0.20255E-01 9016 0.259E+01 0.260E-01 RMM: 2 -0.323825682316E+03 -0.30025E-01 -0.19029E-01 5436 0.921E-01 0.137E+00 RMM: 3 -0.323811237667E+03 0.14445E-01 -0.14919E-02 5522 0.262E-01 0.283E-01 RMM: 4 -0.323810689237E+03 0.54843E-03 -0.15486E-03 4875 0.832E-02 0.117E-01 RMM: 5 -0.323810626036E+03 0.63201E-04 -0.21412E-04 3905 0.349E-02 0.984E-02 RMM: 6 -0.323810568531E+03 0.57505E-04 -0.44408E-05 3105 0.193E-02 0.465E-02 RMM: 7 -0.323810572717E+03 -0.41857E-05 -0.29908E-05 2612 0.166E-02 4014 T= 8019. E= 0.67518237E+03 F= 0.63245842E+03 E0= 0.66093379E+03 EK= 0.65303E+02 SP= -.23E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324761296065E+03 -0.95073E+00 -0.19447E-01 8960 0.261E+01 0.228E-01 RMM: 2 -0.324787228197E+03 -0.25932E-01 -0.18645E-01 5240 0.928E-01 0.115E+00 RMM: 3 -0.324776952750E+03 0.10275E-01 -0.16675E-02 5922 0.252E-01 0.198E-01 RMM: 4 -0.324776514240E+03 0.43851E-03 -0.10239E-03 4832 0.684E-02 0.112E-01 RMM: 5 -0.324776449310E+03 0.64930E-04 -0.15125E-04 3913 0.307E-02 0.863E-02 RMM: 6 -0.324776409204E+03 0.40105E-04 -0.33049E-05 2786 0.171E-02 0.518E-02 RMM: 7 -0.324776412132E+03 -0.29277E-05 -0.31050E-05 2637 0.165E-02 4015 T= 8173. E= 0.67517632E+03 F= 0.63149258E+03 E0= 0.65994651E+03 EK= 0.66553E+02 SP= -.23E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325512139524E+03 -0.73573E+00 -0.18569E-01 8936 0.264E+01 0.194E-01 RMM: 2 -0.325533124673E+03 -0.20985E-01 -0.17643E-01 5117 0.921E-01 0.842E-01 RMM: 3 -0.325527266113E+03 0.58586E-02 -0.16417E-02 6040 0.243E-01 0.165E-01 RMM: 4 -0.325526895851E+03 0.37026E-03 -0.82645E-04 4850 0.632E-02 0.110E-01 RMM: 5 -0.325526809008E+03 0.86843E-04 -0.12381E-04 3874 0.286E-02 0.637E-02 RMM: 6 -0.325526794048E+03 0.14960E-04 -0.27556E-05 2620 0.155E-02 4016 T= 8290. E= 0.67517073E+03 F= 0.63074220E+03 E0= 0.65916974E+03 EK= 0.67513E+02 SP= -.23E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325983002412E+03 -0.45619E+00 -0.18066E-01 8440 0.266E+01 0.201E-01 RMM: 2 -0.326006959227E+03 -0.23957E-01 -0.18065E-01 5039 0.940E-01 0.104E+00 RMM: 3 -0.325998577163E+03 0.83821E-02 -0.17725E-02 5914 0.255E-01 0.195E-01 RMM: 4 -0.325998120012E+03 0.45715E-03 -0.93426E-04 4841 0.670E-02 0.105E-01 RMM: 5 -0.325998043222E+03 0.76790E-04 -0.12948E-04 4197 0.285E-02 0.717E-02 RMM: 6 -0.325998025990E+03 0.17232E-04 -0.29050E-05 2619 0.160E-02 4017 T= 8364. E= 0.67516635E+03 F= 0.63027096E+03 E0= 0.65866898E+03 EK= 0.68110E+02 SP= -.23E+02 SK= 0.87E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326128590824E+03 -0.13055E+00 -0.16492E-01 7984 0.267E+01 0.318E-01 RMM: 2 -0.326162222398E+03 -0.33632E-01 -0.16440E-01 4957 0.949E-01 0.168E+00 RMM: 3 -0.326142236997E+03 0.19985E-01 -0.19962E-02 5434 0.314E-01 0.343E-01 RMM: 4 -0.326141349784E+03 0.88721E-03 -0.20418E-03 5103 0.928E-02 0.905E-02 RMM: 5 -0.326141324217E+03 0.25567E-04 -0.25386E-04 4303 0.325E-02 0.962E-02 RMM: 6 -0.326141269688E+03 0.54529E-04 -0.35408E-05 2887 0.179E-02 0.560E-02 RMM: 7 -0.326141283397E+03 -0.13709E-04 -0.32936E-05 2765 0.170E-02 4018 T= 8386. E= 0.67516354E+03 F= 0.63012771E+03 E0= 0.65849686E+03 EK= 0.68289E+02 SP= -.23E+02 SK= 0.73E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.325916955192E+03 0.22431E+00 -0.16320E-01 7824 0.268E+01 0.309E-01 RMM: 2 -0.325945449948E+03 -0.28495E-01 -0.15170E-01 4918 0.921E-01 0.149E+00 RMM: 3 -0.325929538659E+03 0.15911E-01 -0.18660E-02 5447 0.298E-01 0.294E-01 RMM: 4 -0.325928915488E+03 0.62317E-03 -0.18888E-03 5002 0.908E-02 0.119E-01 RMM: 5 -0.325928869356E+03 0.46132E-04 -0.25281E-04 3923 0.369E-02 0.103E-01 RMM: 6 -0.325928801527E+03 0.67829E-04 -0.59173E-05 3312 0.218E-02 0.397E-02 RMM: 7 -0.325928808307E+03 -0.67799E-05 -0.23602E-05 2555 0.148E-02 4019 T= 8353. E= 0.67516335E+03 F= 0.63034018E+03 E0= 0.65868201E+03 EK= 0.68022E+02 SP= -.23E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325350238271E+03 0.57856E+00 -0.16168E-01 7688 0.268E+01 0.233E-01 RMM: 2 -0.325371654086E+03 -0.21416E-01 -0.15412E-01 4844 0.926E-01 0.108E+00 RMM: 3 -0.325363435950E+03 0.82181E-02 -0.18110E-02 5699 0.270E-01 0.173E-01 RMM: 4 -0.325363093594E+03 0.34236E-03 -0.11583E-03 5082 0.696E-02 0.109E-01 RMM: 5 -0.325363031050E+03 0.62545E-04 -0.14962E-04 4013 0.320E-02 0.841E-02 RMM: 6 -0.325362987506E+03 0.43543E-04 -0.35946E-05 2844 0.178E-02 0.465E-02 RMM: 7 -0.325362993901E+03 -0.63951E-05 -0.33315E-05 2640 0.176E-02 4020 T= 8266. E= 0.67516693E+03 F= 0.63090600E+03 E0= 0.65922411E+03 EK= 0.67315E+02 SP= -.23E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324479890883E+03 0.88310E+00 -0.15049E-01 7736 0.267E+01 0.221E-01 RMM: 2 -0.324499603460E+03 -0.19713E-01 -0.14883E-01 4825 0.912E-01 0.974E-01 RMM: 3 -0.324492907149E+03 0.66963E-02 -0.17828E-02 5843 0.255E-01 0.200E-01 RMM: 4 -0.324492447020E+03 0.46013E-03 -0.10119E-03 4880 0.700E-02 0.102E-01 RMM: 5 -0.324492399759E+03 0.47261E-04 -0.15174E-04 4049 0.318E-02 0.795E-02 RMM: 6 -0.324492362008E+03 0.37751E-04 -0.33551E-05 2819 0.174E-02 0.403E-02 RMM: 7 -0.324492365187E+03 -0.31792E-05 -0.20410E-05 2522 0.142E-02 4021 T= 8132. E= 0.67517360E+03 F= 0.63177662E+03 E0= 0.66007546E+03 EK= 0.66224E+02 SP= -.23E+02 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323395137793E+03 0.10972E+01 -0.15955E-01 7768 0.266E+01 0.204E-01 RMM: 2 -0.323415428525E+03 -0.20291E-01 -0.16156E-01 4757 0.961E-01 0.922E-01 RMM: 3 -0.323409337991E+03 0.60905E-02 -0.18869E-02 5911 0.260E-01 0.185E-01 RMM: 4 -0.323408890340E+03 0.44765E-03 -0.94779E-04 4862 0.709E-02 0.112E-01 RMM: 5 -0.323408826432E+03 0.63908E-04 -0.14809E-04 3955 0.330E-02 0.797E-02 RMM: 6 -0.323408788812E+03 0.37620E-04 -0.35411E-05 2871 0.178E-02 0.414E-02 RMM: 7 -0.323408793911E+03 -0.50988E-05 -0.23894E-05 2545 0.150E-02 4022 T= 7963. E= 0.67518337E+03 F= 0.63286020E+03 E0= 0.66114509E+03 EK= 0.64850E+02 SP= -.23E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322229395718E+03 0.11794E+01 -0.13506E-01 7480 0.263E+01 0.242E-01 RMM: 2 -0.322247607188E+03 -0.18211E-01 -0.11479E-01 4928 0.822E-01 0.112E+00 RMM: 3 -0.322238898824E+03 0.87084E-02 -0.13326E-02 5560 0.247E-01 0.218E-01 RMM: 4 -0.322238559696E+03 0.33913E-03 -0.10297E-03 4737 0.693E-02 0.108E-01 RMM: 5 -0.322238518766E+03 0.40930E-04 -0.15263E-04 3879 0.316E-02 0.932E-02 RMM: 6 -0.322238464408E+03 0.54358E-04 -0.40225E-05 3027 0.190E-02 0.411E-02 RMM: 7 -0.322238465404E+03 -0.99558E-06 -0.18769E-05 2511 0.136E-02 4023 T= 7777. E= 0.67519438E+03 F= 0.63403052E+03 E0= 0.66230666E+03 EK= 0.63329E+02 SP= -.22E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321115510462E+03 0.11230E+01 -0.13128E-01 7312 0.261E+01 0.231E-01 RMM: 2 -0.321131737175E+03 -0.16227E-01 -0.98152E-02 5072 0.770E-01 0.110E+00 RMM: 3 -0.321123470854E+03 0.82663E-02 -0.10991E-02 5507 0.227E-01 0.202E-01 RMM: 4 -0.321123196645E+03 0.27421E-03 -0.89468E-04 4695 0.651E-02 0.114E-01 RMM: 5 -0.321123135153E+03 0.61492E-04 -0.13274E-04 3849 0.306E-02 0.842E-02 RMM: 6 -0.321123091510E+03 0.43643E-04 -0.32897E-05 2879 0.174E-02 0.409E-02 RMM: 7 -0.321123093690E+03 -0.21791E-05 -0.20226E-05 2523 0.138E-02 4024 T= 7590. E= 0.67520473E+03 F= 0.63514590E+03 E0= 0.66341873E+03 EK= 0.61813E+02 SP= -.22E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320185253355E+03 0.93784E+00 -0.13401E-01 7576 0.258E+01 0.233E-01 RMM: 2 -0.320202967689E+03 -0.17714E-01 -0.10788E-01 4956 0.814E-01 0.114E+00 RMM: 3 -0.320194193529E+03 0.87742E-02 -0.12697E-02 5481 0.245E-01 0.195E-01 RMM: 4 -0.320193940354E+03 0.25317E-03 -0.95765E-04 4739 0.655E-02 0.109E-01 RMM: 5 -0.320193890995E+03 0.49359E-04 -0.14148E-04 3895 0.321E-02 0.885E-02 RMM: 6 -0.320193839232E+03 0.51763E-04 -0.40383E-05 3028 0.190E-02 0.377E-02 RMM: 7 -0.320193838732E+03 0.49929E-06 -0.17229E-05 2502 0.132E-02 4025 T= 7422. E= 0.67521263E+03 F= 0.63607515E+03 E0= 0.66434953E+03 EK= 0.60442E+02 SP= -.22E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319540188328E+03 0.65365E+00 -0.12354E-01 7440 0.255E+01 0.230E-01 RMM: 2 -0.319555757340E+03 -0.15569E-01 -0.92480E-02 5108 0.762E-01 0.111E+00 RMM: 3 -0.319547577705E+03 0.81796E-02 -0.10143E-02 5455 0.223E-01 0.209E-01 RMM: 4 -0.319547267625E+03 0.31008E-03 -0.85374E-04 4659 0.639E-02 0.979E-02 RMM: 5 -0.319547229904E+03 0.37721E-04 -0.12754E-04 3825 0.301E-02 0.871E-02 RMM: 6 -0.319547181851E+03 0.48053E-04 -0.32764E-05 2878 0.176E-02 0.405E-02 RMM: 7 -0.319547179636E+03 0.22152E-05 -0.16884E-05 2494 0.129E-02 4026 T= 7284. E= 0.67521711E+03 F= 0.63672181E+03 E0= 0.66500227E+03 EK= 0.59319E+02 SP= -.21E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319224524547E+03 0.32266E+00 -0.12325E-01 7608 0.253E+01 0.214E-01 RMM: 2 -0.319239633007E+03 -0.15108E-01 -0.92272E-02 5067 0.749E-01 0.106E+00 RMM: 3 -0.319232023690E+03 0.76093E-02 -0.10171E-02 5458 0.221E-01 0.177E-01 RMM: 4 -0.319231831214E+03 0.19248E-03 -0.77065E-04 4694 0.582E-02 0.995E-02 RMM: 5 -0.319231781867E+03 0.49347E-04 -0.11032E-04 3772 0.287E-02 0.812E-02 RMM: 6 -0.319231740007E+03 0.41860E-04 -0.33673E-05 2919 0.174E-02 0.387E-02 RMM: 7 -0.319231739087E+03 0.92012E-06 -0.24861E-05 2525 0.155E-02 4027 T= 7184. E= 0.67521828E+03 F= 0.63703725E+03 E0= 0.66532749E+03 EK= 0.58498E+02 SP= -.21E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319244026297E+03 -0.12286E-01 -0.12057E-01 7376 0.251E+01 0.241E-01 RMM: 2 -0.319258248751E+03 -0.14222E-01 -0.90652E-02 5179 0.759E-01 0.104E+00 RMM: 3 -0.319251150000E+03 0.70988E-02 -0.99637E-03 5461 0.222E-01 0.230E-01 RMM: 4 -0.319250780011E+03 0.36999E-03 -0.91703E-04 4631 0.658E-02 0.104E-01 RMM: 5 -0.319250750613E+03 0.29398E-04 -0.14825E-04 3865 0.308E-02 0.102E-01 RMM: 6 -0.319250682131E+03 0.68482E-04 -0.39697E-05 3056 0.194E-02 0.361E-02 RMM: 7 -0.319250679656E+03 0.24748E-05 -0.14596E-05 2488 0.119E-02 4028 T= 7121. E= 0.67521696E+03 F= 0.63701831E+03 E0= 0.66532201E+03 EK= 0.57987E+02 SP= -.20E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319565257096E+03 -0.31457E+00 -0.12204E-01 7280 0.250E+01 0.217E-01 RMM: 2 -0.319579742944E+03 -0.14486E-01 -0.96197E-02 5142 0.767E-01 0.998E-01 RMM: 3 -0.319573088736E+03 0.66542E-02 -0.10476E-02 5544 0.216E-01 0.185E-01 RMM: 4 -0.319572831052E+03 0.25768E-03 -0.75739E-04 4710 0.583E-02 0.923E-02 RMM: 5 -0.319572783411E+03 0.47642E-04 -0.10671E-04 3835 0.271E-02 0.803E-02 RMM: 6 -0.319572745798E+03 0.37613E-04 -0.28191E-05 2702 0.161E-02 0.413E-02 RMM: 7 -0.319572745156E+03 0.64213E-06 -0.23948E-05 2525 0.148E-02 4029 T= 7092. E= 0.67521461E+03 F= 0.63669624E+03 E0= 0.66501685E+03 EK= 0.57754E+02 SP= -.20E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320140370166E+03 -0.56762E+00 -0.12457E-01 7336 0.249E+01 0.215E-01 RMM: 2 -0.320153960524E+03 -0.13590E-01 -0.91494E-02 5128 0.758E-01 0.959E-01 RMM: 3 -0.320147816817E+03 0.61437E-02 -0.10100E-02 5589 0.210E-01 0.174E-01 RMM: 4 -0.320147607480E+03 0.20934E-03 -0.75442E-04 4663 0.603E-02 0.114E-01 RMM: 5 -0.320147539723E+03 0.67757E-04 -0.12266E-04 3794 0.282E-02 0.851E-02 RMM: 6 -0.320147494074E+03 0.45650E-04 -0.32287E-05 2870 0.176E-02 0.361E-02 RMM: 7 -0.320147493842E+03 0.23123E-06 -0.16098E-05 2492 0.125E-02 4030 T= 7092. E= 0.67521135E+03 F= 0.63612150E+03 E0= 0.66446328E+03 EK= 0.57750E+02 SP= -.19E+02 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320905741747E+03 -0.75825E+00 -0.12619E-01 7512 0.248E+01 0.216E-01 RMM: 2 -0.320920145554E+03 -0.14404E-01 -0.98504E-02 5066 0.781E-01 0.964E-01 RMM: 3 -0.320913854458E+03 0.62911E-02 -0.11187E-02 5582 0.222E-01 0.183E-01 RMM: 4 -0.320913604015E+03 0.25044E-03 -0.78047E-04 4719 0.600E-02 0.101E-01 RMM: 5 -0.320913545929E+03 0.58085E-04 -0.11492E-04 3814 0.281E-02 0.805E-02 RMM: 6 -0.320913507224E+03 0.38705E-04 -0.29533E-05 2736 0.164E-02 0.410E-02 RMM: 7 -0.320913506110E+03 0.11143E-05 -0.22365E-05 2523 0.146E-02 4031 T= 7111. E= 0.67520739E+03 F= 0.63535548E+03 E0= 0.66372255E+03 EK= 0.57911E+02 SP= -.19E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321798133640E+03 -0.88463E+00 -0.12399E-01 7304 0.247E+01 0.193E-01 RMM: 2 -0.321809685395E+03 -0.11552E-01 -0.78624E-02 5211 0.699E-01 0.880E-01 RMM: 3 -0.321804490535E+03 0.51949E-02 -0.80279E-03 5614 0.188E-01 0.160E-01 RMM: 4 -0.321804332625E+03 0.15791E-03 -0.58843E-04 4634 0.538E-02 0.108E-01 RMM: 5 -0.321804262383E+03 0.70242E-04 -0.92285E-05 3643 0.251E-02 0.735E-02 RMM: 6 -0.321804231091E+03 0.31292E-04 -0.26299E-05 2678 0.161E-02 0.378E-02 RMM: 7 -0.321804232313E+03 -0.12219E-05 -0.18116E-05 2508 0.129E-02 4032 T= 7143. E= 0.67520295E+03 F= 0.63446476E+03 E0= 0.66286137E+03 EK= 0.58169E+02 SP= -.18E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322746414438E+03 -0.94218E+00 -0.12477E-01 7416 0.247E+01 0.177E-01 RMM: 2 -0.322756518604E+03 -0.10104E-01 -0.80689E-02 5140 0.701E-01 0.721E-01 RMM: 3 -0.322753067064E+03 0.34515E-02 -0.84647E-03 5793 0.185E-01 0.133E-01 RMM: 4 -0.322752945349E+03 0.12172E-03 -0.50482E-04 4612 0.509E-02 0.124E-01 RMM: 5 -0.322752847164E+03 0.98184E-04 -0.84986E-05 3551 0.249E-02 0.690E-02 RMM: 6 -0.322752820255E+03 0.26910E-04 -0.24875E-05 2595 0.155E-02 0.378E-02 RMM: 7 -0.322752816710E+03 0.35450E-05 -0.21966E-05 2518 0.142E-02 4033 T= 7178. E= 0.67519845E+03 F= 0.63351617E+03 E0= 0.66194569E+03 EK= 0.58454E+02 SP= -.18E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323690830510E+03 -0.93801E+00 -0.12746E-01 7376 0.246E+01 0.167E-01 RMM: 2 -0.323700587096E+03 -0.97566E-02 -0.76090E-02 5093 0.681E-01 0.714E-01 RMM: 3 -0.323697155798E+03 0.34313E-02 -0.80220E-03 5846 0.179E-01 0.147E-01 RMM: 4 -0.323696972909E+03 0.18289E-03 -0.46521E-04 4569 0.513E-02 0.103E-01 RMM: 5 -0.323696906639E+03 0.66270E-04 -0.77564E-05 3470 0.246E-02 0.665E-02 RMM: 6 -0.323696884253E+03 0.22386E-04 -0.23308E-05 2572 0.152E-02 0.386E-02 RMM: 7 -0.323696885326E+03 -0.10731E-05 -0.18333E-05 2515 0.128E-02 4034 T= 7209. E= 0.67519407E+03 F= 0.63257210E+03 E0= 0.66103722E+03 EK= 0.58703E+02 SP= -.17E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324575519423E+03 -0.87864E+00 -0.12823E-01 7568 0.246E+01 0.158E-01 RMM: 2 -0.324585198438E+03 -0.96790E-02 -0.83197E-02 4905 0.703E-01 0.617E-01 RMM: 3 -0.324582511814E+03 0.26866E-02 -0.94282E-03 5929 0.196E-01 0.130E-01 RMM: 4 -0.324582369550E+03 0.14226E-03 -0.45376E-04 4575 0.501E-02 0.110E-01 RMM: 5 -0.324582287662E+03 0.81888E-04 -0.75520E-05 3457 0.257E-02 0.602E-02 RMM: 6 -0.324582270463E+03 0.17199E-04 -0.22612E-05 2545 0.145E-02 4035 T= 7228. E= 0.67519094E+03 F= 0.63168672E+03 E0= 0.66018758E+03 EK= 0.58862E+02 SP= -.16E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325362003367E+03 -0.77972E+00 -0.12495E-01 7320 0.245E+01 0.165E-01 RMM: 2 -0.325373343331E+03 -0.11340E-01 -0.83546E-02 4952 0.695E-01 0.780E-01 RMM: 3 -0.325369017231E+03 0.43261E-02 -0.94045E-03 5738 0.202E-01 0.140E-01 RMM: 4 -0.325368854092E+03 0.16314E-03 -0.49669E-04 4689 0.496E-02 0.917E-02 RMM: 5 -0.325368799555E+03 0.54537E-04 -0.65652E-05 3421 0.248E-02 0.601E-02 RMM: 6 -0.325368789705E+03 0.98500E-05 -0.23927E-05 2547 0.147E-02 4036 T= 7232. E= 0.67518921E+03 F= 0.63090020E+03 E0= 0.65943576E+03 EK= 0.58891E+02 SP= -.16E+02 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326026643886E+03 -0.65784E+00 -0.12675E-01 7296 0.244E+01 0.292E-01 RMM: 2 -0.326050381186E+03 -0.23737E-01 -0.89098E-02 4834 0.751E-01 0.158E+00 RMM: 3 -0.326033519038E+03 0.16862E-01 -0.13827E-02 5395 0.283E-01 0.269E-01 RMM: 4 -0.326032994586E+03 0.52445E-03 -0.13420E-03 4771 0.770E-02 0.834E-02 RMM: 5 -0.326032990923E+03 0.36627E-05 -0.15547E-04 3919 0.313E-02 4037 T= 7217. E= 0.67518985E+03 F= 0.63023600E+03 E0= 0.65880287E+03 EK= 0.58770E+02 SP= -.15E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326557936488E+03 -0.52494E+00 -0.12839E-01 7528 0.244E+01 0.232E-01 RMM: 2 -0.326576112670E+03 -0.18176E-01 -0.93472E-02 4925 0.737E-01 0.123E+00 RMM: 3 -0.326565811454E+03 0.10301E-01 -0.12149E-02 5472 0.249E-01 0.273E-01 RMM: 4 -0.326565299022E+03 0.51243E-03 -0.10633E-03 4712 0.697E-02 0.910E-02 RMM: 5 -0.326565264386E+03 0.34635E-04 -0.13362E-04 3893 0.312E-02 0.810E-02 RMM: 6 -0.326565230954E+03 0.33432E-04 -0.29621E-05 2632 0.161E-02 0.569E-02 RMM: 7 -0.326565249109E+03 -0.18155E-04 -0.39423E-05 2968 0.186E-02 4038 T= 7182. E= 0.67519114E+03 F= 0.62970374E+03 E0= 0.65829753E+03 EK= 0.58490E+02 SP= -.14E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326956559443E+03 -0.39133E+00 -0.12933E-01 7680 0.243E+01 0.252E-01 RMM: 2 -0.326973541451E+03 -0.16982E-01 -0.10338E-01 4702 0.803E-01 0.114E+00 RMM: 3 -0.326964989095E+03 0.85524E-02 -0.13576E-02 5598 0.252E-01 0.213E-01 RMM: 4 -0.326964702921E+03 0.28617E-03 -0.10836E-03 4752 0.722E-02 0.138E-01 RMM: 5 -0.326964662705E+03 0.40217E-04 -0.18865E-04 3886 0.354E-02 0.118E-01 RMM: 6 -0.326964573176E+03 0.89528E-04 -0.63590E-05 3365 0.235E-02 0.263E-02 RMM: 7 -0.326964575964E+03 -0.27874E-05 -0.15310E-05 2508 0.126E-02 4039 T= 7129. E= 0.67519125E+03 F= 0.62930441E+03 E0= 0.65792098E+03 EK= 0.58052E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327222536955E+03 -0.25796E+00 -0.13064E-01 7752 0.242E+01 0.168E-01 RMM: 2 -0.327237001613E+03 -0.14465E-01 -0.11833E-01 4772 0.823E-01 0.760E-01 RMM: 3 -0.327232951133E+03 0.40505E-02 -0.14186E-02 5958 0.227E-01 0.147E-01 RMM: 4 -0.327232644344E+03 0.30679E-03 -0.63149E-04 4778 0.587E-02 0.101E-01 RMM: 5 -0.327232565326E+03 0.79018E-04 -0.95455E-05 3691 0.287E-02 0.602E-02 RMM: 6 -0.327232548070E+03 0.17256E-04 -0.26533E-05 2549 0.152E-02 4040 T= 7057. E= 0.67519166E+03 F= 0.62903644E+03 E0= 0.65767065E+03 EK= 0.57464E+02 SP= -.13E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327360283122E+03 -0.12772E+00 -0.12833E-01 7464 0.241E+01 0.194E-01 RMM: 2 -0.327377298151E+03 -0.17015E-01 -0.12561E-01 4774 0.854E-01 0.936E-01 RMM: 3 -0.327371333971E+03 0.59642E-02 -0.15578E-02 5851 0.241E-01 0.202E-01 RMM: 4 -0.327370871041E+03 0.46293E-03 -0.81219E-04 4932 0.627E-02 0.797E-02 RMM: 5 -0.327370838292E+03 0.32749E-04 -0.11466E-04 3844 0.290E-02 0.760E-02 RMM: 6 -0.327370810429E+03 0.27863E-04 -0.31683E-05 2731 0.169E-02 0.548E-02 RMM: 7 -0.327370836357E+03 -0.25929E-04 -0.57197E-05 3339 0.216E-02 0.901E-02 RMM: 8 -0.327370784677E+03 0.51680E-04 -0.58925E-05 3355 0.188E-02 0.410E-02 RMM: 9 -0.327370775439E+03 0.92377E-05 -0.17000E-05 2500 0.123E-02 4041 T= 6967. E= 0.67519165E+03 F= 0.62889821E+03 E0= 0.65754783E+03 EK= 0.56733E+02 SP= -.12E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327373376392E+03 -0.25917E-02 -0.12723E-01 7672 0.240E+01 0.294E-01 RMM: 2 -0.327397142696E+03 -0.23766E-01 -0.12526E-01 4811 0.875E-01 0.143E+00 RMM: 3 -0.327383259143E+03 0.13884E-01 -0.15841E-02 5596 0.264E-01 0.223E-01 RMM: 4 -0.327383020805E+03 0.23834E-03 -0.15862E-03 4905 0.907E-02 0.196E-01 RMM: 5 -0.327382894663E+03 0.12614E-03 -0.26875E-04 3890 0.391E-02 0.149E-01 RMM: 6 -0.327382747655E+03 0.14701E-03 -0.83670E-05 3582 0.265E-02 0.298E-02 RMM: 7 -0.327382751061E+03 -0.34070E-05 -0.19963E-05 2535 0.135E-02 4042 T= 6861. E= 0.67519269E+03 F= 0.62888624E+03 E0= 0.65754883E+03 EK= 0.55870E+02 SP= -.11E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327273872103E+03 0.10888E+00 -0.11947E-01 7512 0.239E+01 0.200E-01 RMM: 2 -0.327288938818E+03 -0.15067E-01 -0.10551E-01 5013 0.775E-01 0.948E-01 RMM: 3 -0.327282834143E+03 0.61047E-02 -0.12388E-02 5798 0.217E-01 0.186E-01 RMM: 4 -0.327282475080E+03 0.35906E-03 -0.75187E-04 4792 0.594E-02 0.826E-02 RMM: 5 -0.327282433850E+03 0.41230E-04 -0.10214E-04 3887 0.254E-02 0.675E-02 RMM: 6 -0.327282410969E+03 0.22881E-04 -0.22636E-05 2560 0.143E-02 0.421E-02 RMM: 7 -0.327282415757E+03 -0.47880E-05 -0.22870E-05 2539 0.147E-02 4043 T= 6741. E= 0.67519510E+03 F= 0.62898657E+03 E0= 0.65766108E+03 EK= 0.54896E+02 SP= -.10E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327085027348E+03 0.19738E+00 -0.12284E-01 7688 0.237E+01 0.199E-01 RMM: 2 -0.327100700553E+03 -0.15673E-01 -0.10836E-01 4836 0.794E-01 0.970E-01 RMM: 3 -0.327094287059E+03 0.64135E-02 -0.13281E-02 5853 0.220E-01 0.165E-01 RMM: 4 -0.327093975791E+03 0.31127E-03 -0.75223E-04 4709 0.629E-02 0.110E-01 RMM: 5 -0.327093922014E+03 0.53776E-04 -0.11480E-04 3711 0.273E-02 0.807E-02 RMM: 6 -0.327093883503E+03 0.38511E-04 -0.29886E-05 2747 0.169E-02 0.342E-02 RMM: 7 -0.327093884941E+03 -0.14380E-05 -0.15848E-05 2496 0.127E-02 4044 T= 6611. E= 0.67519767E+03 F= 0.62917510E+03 E0= 0.65785993E+03 EK= 0.53840E+02 SP= -.93E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326839323428E+03 0.25456E+00 -0.12074E-01 7632 0.236E+01 0.182E-01 RMM: 2 -0.326852448153E+03 -0.13125E-01 -0.10242E-01 4912 0.762E-01 0.812E-01 RMM: 3 -0.326847992118E+03 0.44560E-02 -0.11945E-02 5935 0.205E-01 0.148E-01 RMM: 4 -0.326847720579E+03 0.27154E-03 -0.63344E-04 4710 0.577E-02 0.110E-01 RMM: 5 -0.326847645705E+03 0.74874E-04 -0.10212E-04 3651 0.268E-02 0.660E-02 RMM: 6 -0.326847620937E+03 0.24768E-04 -0.25440E-05 2594 0.153E-02 0.361E-02 RMM: 7 -0.326847621342E+03 -0.40494E-06 -0.19223E-05 2506 0.136E-02 4045 T= 6476. E= 0.67519998E+03 F= 0.62942137E+03 E0= 0.65811402E+03 EK= 0.52739E+02 SP= -.84E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326567160438E+03 0.28046E+00 -0.11773E-01 7656 0.234E+01 0.157E-01 RMM: 2 -0.326578735077E+03 -0.11575E-01 -0.91660E-02 4947 0.712E-01 0.730E-01 RMM: 3 -0.326575039508E+03 0.36956E-02 -0.10501E-02 5964 0.188E-01 0.141E-01 RMM: 4 -0.326574782556E+03 0.25695E-03 -0.50176E-04 4556 0.519E-02 0.944E-02 RMM: 5 -0.326574731432E+03 0.51124E-04 -0.82214E-05 3509 0.249E-02 0.637E-02 RMM: 6 -0.326574710563E+03 0.20869E-04 -0.26113E-05 2607 0.157E-02 0.375E-02 RMM: 7 -0.326574711595E+03 -0.10317E-05 -0.19148E-05 2505 0.135E-02 4046 T= 6340. E= 0.67520232E+03 F= 0.62969428E+03 E0= 0.65839159E+03 EK= 0.51631E+02 SP= -.76E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326295987688E+03 0.27872E+00 -0.11863E-01 7664 0.233E+01 0.158E-01 RMM: 2 -0.326307758429E+03 -0.11771E-01 -0.93191E-02 4868 0.713E-01 0.742E-01 RMM: 3 -0.326303961743E+03 0.37967E-02 -0.10765E-02 5950 0.191E-01 0.144E-01 RMM: 4 -0.326303694589E+03 0.26715E-03 -0.53942E-04 4658 0.532E-02 0.901E-02 RMM: 5 -0.326303649545E+03 0.45044E-04 -0.83647E-05 3525 0.249E-02 0.627E-02 RMM: 6 -0.326303627517E+03 0.22028E-04 -0.23216E-05 2560 0.147E-02 0.314E-02 RMM: 7 -0.326303628835E+03 -0.13180E-05 -0.15216E-05 2494 0.119E-02 4047 T= 6207. E= 0.67520455E+03 F= 0.62996536E+03 E0= 0.65866364E+03 EK= 0.50547E+02 SP= -.67E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326054402155E+03 0.24923E+00 -0.11511E-01 7648 0.232E+01 0.152E-01 RMM: 2 -0.326065414385E+03 -0.11012E-01 -0.87388E-02 4939 0.688E-01 0.694E-01 RMM: 3 -0.326061917058E+03 0.34973E-02 -0.10087E-02 5885 0.184E-01 0.132E-01 RMM: 4 -0.326061684484E+03 0.23257E-03 -0.49533E-04 4626 0.497E-02 0.839E-02 RMM: 5 -0.326061644336E+03 0.40148E-04 -0.75966E-05 3506 0.242E-02 0.644E-02 RMM: 6 -0.326061620249E+03 0.24087E-04 -0.24237E-05 2560 0.152E-02 0.351E-02 RMM: 7 -0.326061618202E+03 0.20466E-05 -0.14292E-05 2483 0.117E-02 4048 T= 6081. E= 0.67520661E+03 F= 0.63020737E+03 E0= 0.65890265E+03 EK= 0.49520E+02 SP= -.59E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325871225814E+03 0.19039E+00 -0.11112E-01 7640 0.231E+01 0.179E-01 RMM: 2 -0.325884094901E+03 -0.12869E-01 -0.87498E-02 4828 0.709E-01 0.883E-01 RMM: 3 -0.325878670806E+03 0.54241E-02 -0.10608E-02 5773 0.201E-01 0.171E-01 RMM: 4 -0.325878374257E+03 0.29655E-03 -0.65730E-04 4739 0.560E-02 0.742E-02 RMM: 5 -0.325878353479E+03 0.20778E-04 -0.95071E-05 3700 0.255E-02 0.692E-02 RMM: 6 -0.325878324996E+03 0.28483E-04 -0.23436E-05 2559 0.146E-02 0.320E-02 RMM: 7 -0.325878325091E+03 -0.95608E-07 -0.13178E-05 2483 0.115E-02 4049 T= 5966. E= 0.67520955E+03 F= 0.63039066E+03 E0= 0.65908028E+03 EK= 0.48582E+02 SP= -.51E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325784388083E+03 0.93937E-01 -0.10601E-01 7688 0.230E+01 0.166E-01 RMM: 2 -0.325795863067E+03 -0.11475E-01 -0.84611E-02 4963 0.687E-01 0.775E-01 RMM: 3 -0.325791649021E+03 0.42140E-02 -0.99973E-03 5783 0.186E-01 0.131E-01 RMM: 4 -0.325791455200E+03 0.19382E-03 -0.55609E-04 4624 0.513E-02 0.944E-02 RMM: 5 -0.325791397989E+03 0.57211E-04 -0.81293E-05 3565 0.247E-02 0.613E-02 RMM: 6 -0.325791376190E+03 0.21799E-04 -0.24661E-05 2567 0.151E-02 0.330E-02 RMM: 7 -0.325791375351E+03 0.83847E-06 -0.15766E-05 2492 0.122E-02 4050 T= 5867. E= 0.67521271E+03 F= 0.63047761E+03 E0= 0.65915944E+03 EK= 0.47774E+02 SP= -.43E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325834337076E+03 -0.42961E-01 -0.10987E-01 7624 0.229E+01 0.187E-01 RMM: 2 -0.325848183187E+03 -0.13846E-01 -0.91488E-02 4942 0.715E-01 0.928E-01 RMM: 3 -0.325842133150E+03 0.60500E-02 -0.10776E-02 5689 0.197E-01 0.174E-01 RMM: 4 -0.325841824483E+03 0.30867E-03 -0.70427E-04 4729 0.582E-02 0.827E-02 RMM: 5 -0.325841798621E+03 0.25862E-04 -0.10855E-04 3774 0.264E-02 0.724E-02 RMM: 6 -0.325841765736E+03 0.32885E-04 -0.26550E-05 2681 0.158E-02 0.311E-02 RMM: 7 -0.325841765195E+03 0.54076E-06 -0.12549E-05 2481 0.111E-02 4051 T= 5788. E= 0.67521589E+03 F= 0.63042722E+03 E0= 0.65910059E+03 EK= 0.47135E+02 SP= -.35E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326062983247E+03 -0.22122E+00 -0.10562E-01 7584 0.228E+01 0.170E-01 RMM: 2 -0.326073259210E+03 -0.10276E-01 -0.67586E-02 4964 0.624E-01 0.810E-01 RMM: 3 -0.326068650045E+03 0.46092E-02 -0.80109E-03 5555 0.180E-01 0.154E-01 RMM: 4 -0.326068467039E+03 0.18301E-03 -0.56592E-04 4566 0.512E-02 0.785E-02 RMM: 5 -0.326068434002E+03 0.33037E-04 -0.80646E-05 3597 0.235E-02 0.669E-02 RMM: 6 -0.326068407459E+03 0.26543E-04 -0.23356E-05 2554 0.149E-02 0.303E-02 RMM: 7 -0.326068408237E+03 -0.77829E-06 -0.13395E-05 2484 0.113E-02 4052 T= 5735. E= 0.67521830E+03 F= 0.63020058E+03 E0= 0.65886631E+03 EK= 0.46703E+02 SP= -.28E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326494172585E+03 -0.42577E+00 -0.10023E-01 7696 0.227E+01 0.159E-01 RMM: 2 -0.326503012672E+03 -0.88401E-02 -0.57086E-02 5024 0.581E-01 0.788E-01 RMM: 3 -0.326498867099E+03 0.41456E-02 -0.65700E-03 5616 0.163E-01 0.122E-01 RMM: 4 -0.326498759331E+03 0.10777E-03 -0.44007E-04 4388 0.457E-02 0.925E-02 RMM: 5 -0.326498708120E+03 0.51211E-04 -0.66670E-05 3421 0.230E-02 0.543E-02 RMM: 6 -0.326498691617E+03 0.16503E-04 -0.21196E-05 2536 0.140E-02 4053 T= 5711. E= 0.67521915E+03 F= 0.62977030E+03 E0= 0.65843046E+03 EK= 0.46504E+02 SP= -.20E+01 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327133152681E+03 -0.63444E+00 -0.95876E-02 7440 0.226E+01 0.141E-01 RMM: 2 -0.327141712997E+03 -0.85603E-02 -0.54589E-02 5120 0.547E-01 0.759E-01 RMM: 3 -0.327137716364E+03 0.39966E-02 -0.58690E-03 5537 0.154E-01 0.110E-01 RMM: 4 -0.327137631192E+03 0.85172E-04 -0.40129E-04 4290 0.414E-02 0.790E-02 RMM: 5 -0.327137578678E+03 0.52514E-04 -0.45179E-05 2951 0.198E-02 0.416E-02 RMM: 6 -0.327137575123E+03 0.35553E-05 -0.19485E-05 2510 0.133E-02 4054 T= 5715. E= 0.67521801E+03 F= 0.62913141E+03 E0= 0.65778905E+03 EK= 0.46540E+02 SP= -.14E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327959089976E+03 -0.82151E+00 -0.93757E-02 7560 0.225E+01 0.217E-01 RMM: 2 -0.327974886592E+03 -0.15797E-01 -0.56968E-02 5109 0.580E-01 0.128E+00 RMM: 3 -0.327963430435E+03 0.11456E-01 -0.74459E-03 5380 0.199E-01 0.203E-01 RMM: 4 -0.327963126823E+03 0.30361E-03 -0.80176E-04 4643 0.582E-02 0.591E-02 RMM: 5 -0.327963131519E+03 -0.46961E-05 -0.98668E-05 3823 0.241E-02 4055 T= 5745. E= 0.67521607E+03 F= 0.62830586E+03 E0= 0.65696421E+03 EK= 0.46786E+02 SP= -.70E+00 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328927357218E+03 -0.96423E+00 -0.94032E-02 7568 0.224E+01 0.173E-01 RMM: 2 -0.328938282248E+03 -0.10925E-01 -0.53471E-02 5193 0.542E-01 0.969E-01 RMM: 3 -0.328931756155E+03 0.65261E-02 -0.59794E-03 5424 0.171E-01 0.200E-01 RMM: 4 -0.328931489800E+03 0.26635E-03 -0.60089E-04 4627 0.498E-02 0.713E-02 RMM: 5 -0.328931459116E+03 0.30685E-04 -0.72409E-05 3550 0.229E-02 0.584E-02 RMM: 6 -0.328931441981E+03 0.17135E-04 -0.18114E-05 2533 0.128E-02 4056 T= 5795. E= 0.67521322E+03 F= 0.62733755E+03 E0= 0.65600046E+03 EK= 0.47195E+02 SP= -.74E-01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329981478859E+03 -0.10500E+01 -0.93572E-02 7600 0.224E+01 0.185E-01 RMM: 2 -0.329993433795E+03 -0.11955E-01 -0.60516E-02 4975 0.585E-01 0.101E+00 RMM: 3 -0.329986379571E+03 0.70542E-02 -0.72135E-03 5435 0.184E-01 0.197E-01 RMM: 4 -0.329986083858E+03 0.29571E-03 -0.68278E-04 4661 0.541E-02 0.577E-02 RMM: 5 -0.329986075040E+03 0.88181E-05 -0.85291E-05 3694 0.233E-02 4057 T= 5859. E= 0.67520998E+03 F= 0.62628291E+03 E0= 0.65495298E+03 EK= 0.47709E+02 SP= 0.53E+00 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331063819479E+03 -0.10777E+01 -0.93444E-02 7792 0.223E+01 0.189E-01 RMM: 2 -0.331075470642E+03 -0.11651E-01 -0.64676E-02 5053 0.603E-01 0.957E-01 RMM: 3 -0.331069206505E+03 0.62641E-02 -0.77090E-03 5489 0.188E-01 0.216E-01 RMM: 4 -0.331068856545E+03 0.34996E-03 -0.73231E-04 4640 0.578E-02 0.735E-02 RMM: 5 -0.331068829100E+03 0.27444E-04 -0.95439E-05 3889 0.234E-02 0.667E-02 RMM: 6 -0.331068805180E+03 0.23920E-04 -0.19597E-05 2537 0.136E-02 0.412E-02 RMM: 7 -0.331068808437E+03 -0.32570E-05 -0.18806E-05 2518 0.132E-02 4058 T= 5927. E= 0.67520699E+03 F= 0.62520018E+03 E0= 0.65387885E+03 EK= 0.48267E+02 SP= 0.11E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332123956024E+03 -0.10552E+01 -0.93504E-02 7768 0.223E+01 0.198E-01 RMM: 2 -0.332136388205E+03 -0.12432E-01 -0.75781E-02 4808 0.654E-01 0.951E-01 RMM: 3 -0.332130190611E+03 0.61976E-02 -0.91952E-03 5545 0.198E-01 0.200E-01 RMM: 4 -0.332129882870E+03 0.30774E-03 -0.77462E-04 4685 0.595E-02 0.793E-02 RMM: 5 -0.332129873382E+03 0.94877E-05 -0.11408E-04 3765 0.271E-02 4059 T= 5995. E= 0.67520455E+03 F= 0.62413912E+03 E0= 0.65282698E+03 EK= 0.48819E+02 SP= 0.17E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333126195726E+03 -0.99631E+00 -0.93381E-02 7840 0.223E+01 0.146E-01 RMM: 2 -0.333137389974E+03 -0.11194E-01 -0.77219E-02 4942 0.649E-01 0.811E-01 RMM: 3 -0.333132854734E+03 0.45352E-02 -0.89691E-03 5760 0.181E-01 0.148E-01 RMM: 4 -0.333132610904E+03 0.24383E-03 -0.50182E-04 4529 0.487E-02 0.686E-02 RMM: 5 -0.333132573362E+03 0.37542E-04 -0.65638E-05 3425 0.221E-02 0.587E-02 RMM: 6 -0.333132558284E+03 0.15078E-04 -0.20228E-05 2516 0.136E-02 4060 T= 6057. E= 0.67520354E+03 F= 0.62313643E+03 E0= 0.65183167E+03 EK= 0.49326E+02 SP= 0.22E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334051061808E+03 -0.91849E+00 -0.90887E-02 7832 0.222E+01 0.205E-01 RMM: 2 -0.334064780114E+03 -0.13718E-01 -0.69341E-02 4827 0.623E-01 0.110E+00 RMM: 3 -0.334056610755E+03 0.81694E-02 -0.89224E-03 5444 0.208E-01 0.187E-01 RMM: 4 -0.334056355049E+03 0.25571E-03 -0.82371E-04 5055 0.534E-02 0.645E-02 RMM: 5 -0.334056329125E+03 0.25924E-04 -0.76578E-05 3585 0.248E-02 0.603E-02 RMM: 6 -0.334056309571E+03 0.19555E-04 -0.20606E-05 2544 0.132E-02 4061 T= 6111. E= 0.67520295E+03 F= 0.62221268E+03 E0= 0.65091408E+03 EK= 0.49765E+02 SP= 0.27E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334887268600E+03 -0.83094E+00 -0.90377E-02 7664 0.222E+01 0.311E-01 RMM: 2 -0.334915711318E+03 -0.28443E-01 -0.72450E-02 5013 0.656E-01 0.184E+00 RMM: 3 -0.334892405842E+03 0.23305E-01 -0.12458E-02 5376 0.272E-01 0.286E-01 RMM: 4 -0.334891814628E+03 0.59121E-03 -0.14607E-03 4688 0.787E-02 0.875E-02 RMM: 5 -0.334891814622E+03 0.61773E-08 -0.17309E-04 3906 0.317E-02 4062 T= 6156. E= 0.67520339E+03 F= 0.62137717E+03 E0= 0.65008136E+03 EK= 0.50127E+02 SP= 0.32E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335632069836E+03 -0.74026E+00 -0.90149E-02 7992 0.221E+01 0.207E-01 RMM: 2 -0.335647943952E+03 -0.15874E-01 -0.66709E-02 5025 0.598E-01 0.121E+00 RMM: 3 -0.335637596898E+03 0.10347E-01 -0.84379E-03 5400 0.208E-01 0.233E-01 RMM: 4 -0.335637215747E+03 0.38115E-03 -0.89889E-04 4738 0.611E-02 0.719E-02 RMM: 5 -0.335637191692E+03 0.24055E-04 -0.98351E-05 3916 0.248E-02 0.649E-02 RMM: 6 -0.335637166668E+03 0.25024E-04 -0.20525E-05 2543 0.132E-02 0.438E-02 RMM: 7 -0.335637181736E+03 -0.15068E-04 -0.32069E-05 2792 0.163E-02 4063 T= 6190. E= 0.67520397E+03 F= 0.62063181E+03 E0= 0.64933600E+03 EK= 0.50409E+02 SP= 0.37E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336285688594E+03 -0.64852E+00 -0.98596E-02 7800 0.221E+01 0.206E-01 RMM: 2 -0.336300641012E+03 -0.14952E-01 -0.92617E-02 4725 0.726E-01 0.103E+00 RMM: 3 -0.336293308133E+03 0.73329E-02 -0.10827E-02 5607 0.211E-01 0.174E-01 RMM: 4 -0.336293075344E+03 0.23279E-03 -0.84968E-04 4712 0.634E-02 0.107E-01 RMM: 5 -0.336293055246E+03 0.20098E-04 -0.13052E-04 3799 0.280E-02 0.940E-02 RMM: 6 -0.336292997417E+03 0.57829E-04 -0.34525E-05 2956 0.180E-02 0.215E-02 RMM: 7 -0.336292999282E+03 -0.18657E-05 -0.11912E-05 2481 0.110E-02 4064 T= 6215. E= 0.67520365E+03 F= 0.61997599E+03 E0= 0.64867758E+03 EK= 0.50610E+02 SP= 0.42E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336850244110E+03 -0.55725E+00 -0.94122E-02 8048 0.221E+01 0.134E-01 RMM: 2 -0.336859492101E+03 -0.92480E-02 -0.72839E-02 4959 0.634E-01 0.659E-01 RMM: 3 -0.336856440818E+03 0.30513E-02 -0.80589E-03 5956 0.169E-01 0.127E-01 RMM: 4 -0.336856234616E+03 0.20620E-03 -0.38893E-04 4374 0.453E-02 0.727E-02 RMM: 5 -0.336856192767E+03 0.41849E-04 -0.56845E-05 3301 0.219E-02 0.514E-02 RMM: 6 -0.336856180225E+03 0.12542E-04 -0.18794E-05 2514 0.128E-02 4065 T= 6229. E= 0.67520309E+03 F= 0.61941281E+03 E0= 0.64811015E+03 EK= 0.50726E+02 SP= 0.46E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337312068309E+03 -0.45588E+00 -0.97206E-02 7840 0.221E+01 0.163E-01 RMM: 2 -0.337324269527E+03 -0.12201E-01 -0.82797E-02 4856 0.668E-01 0.854E-01 RMM: 3 -0.337319091809E+03 0.51777E-02 -0.95171E-03 5656 0.193E-01 0.148E-01 RMM: 4 -0.337318859748E+03 0.23206E-03 -0.59558E-04 4900 0.505E-02 0.640E-02 RMM: 5 -0.337318837334E+03 0.22415E-04 -0.69143E-05 3442 0.237E-02 0.582E-02 RMM: 6 -0.337318822832E+03 0.14501E-04 -0.23600E-05 2548 0.145E-02 4066 T= 6232. E= 0.67520156E+03 F= 0.61895017E+03 E0= 0.64764253E+03 EK= 0.50751E+02 SP= 0.51E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337659991579E+03 -0.34115E+00 -0.99024E-02 7712 0.222E+01 0.306E-01 RMM: 2 -0.337684753763E+03 -0.24762E-01 -0.83712E-02 4953 0.703E-01 0.166E+00 RMM: 3 -0.337666241981E+03 0.18512E-01 -0.12845E-02 5400 0.271E-01 0.324E-01 RMM: 4 -0.337665490871E+03 0.75111E-03 -0.14592E-03 4730 0.792E-02 0.783E-02 RMM: 5 -0.337665516110E+03 -0.25239E-04 -0.19086E-04 3888 0.336E-02 0.107E-01 RMM: 6 -0.337665440661E+03 0.75449E-04 -0.39132E-05 3014 0.191E-02 0.362E-02 RMM: 7 -0.337665438824E+03 0.18372E-05 -0.15633E-05 2500 0.125E-02 4067 T= 6222. E= 0.67520053E+03 F= 0.61860355E+03 E0= 0.64729109E+03 EK= 0.50670E+02 SP= 0.55E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337873462488E+03 -0.20802E+00 -0.98973E-02 7976 0.222E+01 0.250E-01 RMM: 2 -0.337894008673E+03 -0.20546E-01 -0.80493E-02 4905 0.660E-01 0.143E+00 RMM: 3 -0.337879939026E+03 0.14070E-01 -0.10988E-02 5412 0.241E-01 0.255E-01 RMM: 4 -0.337879485964E+03 0.45306E-03 -0.11774E-03 4711 0.703E-02 0.852E-02 RMM: 5 -0.337879492963E+03 -0.69993E-05 -0.15365E-04 3865 0.318E-02 4068 T= 6197. E= 0.67519988E+03 F= 0.61838950E+03 E0= 0.64707321E+03 EK= 0.50468E+02 SP= 0.60E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337937976508E+03 -0.58491E-01 -0.10499E-01 8016 0.223E+01 0.169E-01 RMM: 2 -0.337951717646E+03 -0.13741E-01 -0.84148E-02 4928 0.666E-01 0.969E-01 RMM: 3 -0.337945049046E+03 0.66686E-02 -0.94985E-03 5565 0.201E-01 0.167E-01 RMM: 4 -0.337944811605E+03 0.23744E-03 -0.66840E-04 5269 0.504E-02 0.639E-02 RMM: 5 -0.337944779127E+03 0.32477E-04 -0.61858E-05 3221 0.238E-02 0.570E-02 RMM: 6 -0.337944769532E+03 0.95948E-05 -0.24227E-05 2553 0.146E-02 4069 T= 6156. E= 0.67519985E+03 F= 0.61832422E+03 E0= 0.64700333E+03 EK= 0.50131E+02 SP= 0.64E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337845492466E+03 0.99287E-01 -0.11086E-01 7864 0.223E+01 0.239E-01 RMM: 2 -0.337869145415E+03 -0.23653E-01 -0.10343E-01 4730 0.745E-01 0.146E+00 RMM: 3 -0.337854038474E+03 0.15107E-01 -0.13204E-02 5441 0.250E-01 0.199E-01 RMM: 4 -0.337853722040E+03 0.31643E-03 -0.12139E-03 4998 0.675E-02 0.770E-02 RMM: 5 -0.337853697876E+03 0.24164E-04 -0.12031E-04 3892 0.275E-02 0.682E-02 RMM: 6 -0.337853669215E+03 0.28660E-04 -0.22186E-05 2561 0.139E-02 0.362E-02 RMM: 7 -0.337853670461E+03 -0.12461E-05 -0.14033E-05 2494 0.125E-02 4070 T= 6097. E= 0.67520073E+03 F= 0.61841532E+03 E0= 0.64709065E+03 EK= 0.49654E+02 SP= 0.68E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337607837583E+03 0.24583E+00 -0.10723E-01 7928 0.224E+01 0.293E-01 RMM: 2 -0.337632776125E+03 -0.24939E-01 -0.88122E-02 4894 0.705E-01 0.162E+00 RMM: 3 -0.337614585703E+03 0.18190E-01 -0.12938E-02 5399 0.267E-01 0.297E-01 RMM: 4 -0.337613940494E+03 0.64521E-03 -0.14814E-03 4749 0.809E-02 0.735E-02 RMM: 5 -0.337613958801E+03 -0.18307E-04 -0.18403E-04 3923 0.329E-02 4071 T= 6023. E= 0.67520308E+03 F= 0.61865503E+03 E0= 0.64732584E+03 EK= 0.49049E+02 SP= 0.72E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337240210331E+03 0.37373E+00 -0.11392E-01 7824 0.224E+01 0.160E-01 RMM: 2 -0.337255115580E+03 -0.14905E-01 -0.98372E-02 4978 0.704E-01 0.946E-01 RMM: 3 -0.337248632293E+03 0.64833E-02 -0.10795E-02 5634 0.204E-01 0.156E-01 RMM: 4 -0.337248365464E+03 0.26683E-03 -0.67315E-04 5241 0.510E-02 0.669E-02 RMM: 5 -0.337248324958E+03 0.40506E-04 -0.57443E-05 3039 0.229E-02 0.548E-02 RMM: 6 -0.337248318950E+03 0.60080E-05 -0.26003E-05 2587 0.153E-02 4072 T= 5936. E= 0.67520658E+03 F= 0.61902067E+03 E0= 0.64768505E+03 EK= 0.48341E+02 SP= 0.76E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336790537560E+03 0.45779E+00 -0.10909E-01 8024 0.223E+01 0.250E-01 RMM: 2 -0.336811193150E+03 -0.20656E-01 -0.85304E-02 4745 0.690E-01 0.141E+00 RMM: 3 -0.336797210558E+03 0.13983E-01 -0.11395E-02 5410 0.245E-01 0.222E-01 RMM: 4 -0.336796848816E+03 0.36174E-03 -0.11397E-03 4886 0.662E-02 0.701E-02 RMM: 5 -0.336796850306E+03 -0.14901E-05 -0.11850E-04 3790 0.285E-02 4073 T= 5842. E= 0.67521074E+03 F= 0.61947214E+03 E0= 0.64812805E+03 EK= 0.47572E+02 SP= 0.79E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336308289580E+03 0.48856E+00 -0.10939E-01 8024 0.223E+01 0.238E-01 RMM: 2 -0.336329741464E+03 -0.21452E-01 -0.90242E-02 4967 0.691E-01 0.140E+00 RMM: 3 -0.336315600464E+03 0.14141E-01 -0.11741E-02 5422 0.242E-01 0.234E-01 RMM: 4 -0.336315191832E+03 0.40863E-03 -0.11354E-03 4894 0.668E-02 0.762E-02 RMM: 5 -0.336315156674E+03 0.35158E-04 -0.11083E-04 4004 0.268E-02 0.735E-02 RMM: 6 -0.336315126815E+03 0.29859E-04 -0.22130E-05 2551 0.139E-02 0.480E-02 RMM: 7 -0.336315131257E+03 -0.44411E-05 -0.31754E-05 2729 0.160E-02 4074 T= 5747. E= 0.67521570E+03 F= 0.61995386E+03 E0= 0.64859670E+03 EK= 0.46801E+02 SP= 0.83E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335862776740E+03 0.45235E+00 -0.11040E-01 8144 0.222E+01 0.183E-01 RMM: 2 -0.335875566999E+03 -0.12790E-01 -0.85599E-02 4805 0.682E-01 0.889E-01 RMM: 3 -0.335869922062E+03 0.56449E-02 -0.98093E-03 5760 0.195E-01 0.156E-01 RMM: 4 -0.335869683236E+03 0.23883E-03 -0.65303E-04 4684 0.573E-02 0.960E-02 RMM: 5 -0.335869646870E+03 0.36366E-04 -0.94600E-05 3648 0.258E-02 0.646E-02 RMM: 6 -0.335869622109E+03 0.24761E-04 -0.23601E-05 2584 0.151E-02 0.237E-02 RMM: 7 -0.335869626951E+03 -0.48413E-05 -0.10901E-05 2482 0.106E-02 4075 T= 5661. E= 0.67522045E+03 F= 0.62039936E+03 E0= 0.64902598E+03 EK= 0.46096E+02 SP= 0.86E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335520754004E+03 0.34887E+00 -0.10639E-01 8080 0.222E+01 0.129E-01 RMM: 2 -0.335530374627E+03 -0.96206E-02 -0.85680E-02 4937 0.663E-01 0.536E-01 RMM: 3 -0.335528099104E+03 0.22755E-02 -0.93378E-03 6149 0.174E-01 0.114E-01 RMM: 4 -0.335527875462E+03 0.22364E-03 -0.37248E-04 4511 0.455E-02 0.837E-02 RMM: 5 -0.335527817716E+03 0.57747E-04 -0.51014E-05 3225 0.212E-02 0.534E-02 RMM: 6 -0.335527807049E+03 0.10667E-04 -0.18231E-05 2509 0.128E-02 4076 T= 5591. E= 0.67522444E+03 F= 0.62074118E+03 E0= 0.64934606E+03 EK= 0.45526E+02 SP= 0.88E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335340092748E+03 0.18772E+00 -0.10113E-01 7832 0.221E+01 0.183E-01 RMM: 2 -0.335353567882E+03 -0.13475E-01 -0.82944E-02 4903 0.672E-01 0.963E-01 RMM: 3 -0.335347027896E+03 0.65400E-02 -0.95859E-03 5658 0.199E-01 0.178E-01 RMM: 4 -0.335346724864E+03 0.30303E-03 -0.67397E-04 4807 0.544E-02 0.699E-02 RMM: 5 -0.335346704253E+03 0.20611E-04 -0.81640E-05 3625 0.241E-02 0.624E-02 RMM: 6 -0.335346685691E+03 0.18562E-04 -0.21366E-05 2549 0.135E-02 4077 T= 5544. E= 0.67522735E+03 F= 0.62092230E+03 E0= 0.64950079E+03 EK= 0.45148E+02 SP= 0.91E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335359691562E+03 -0.12987E-01 -0.95519E-02 7800 0.221E+01 0.294E-01 RMM: 2 -0.335383813573E+03 -0.24122E-01 -0.79438E-02 4985 0.678E-01 0.160E+00 RMM: 3 -0.335365669829E+03 0.18144E-01 -0.12376E-02 5376 0.266E-01 0.284E-01 RMM: 4 -0.335365088722E+03 0.58111E-03 -0.13792E-03 4734 0.751E-02 0.808E-02 RMM: 5 -0.335365083978E+03 0.47439E-05 -0.16166E-04 3889 0.309E-02 4078 T= 5526. E= 0.67522914E+03 F= 0.62090391E+03 E0= 0.64945087E+03 EK= 0.45000E+02 SP= 0.93E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335588088468E+03 -0.22300E+00 -0.93245E-02 7952 0.221E+01 0.229E-01 RMM: 2 -0.335605500146E+03 -0.17412E-01 -0.71430E-02 5045 0.622E-01 0.128E+00 RMM: 3 -0.335594007904E+03 0.11492E-01 -0.94081E-03 5387 0.222E-01 0.256E-01 RMM: 4 -0.335593539413E+03 0.46849E-03 -0.99539E-04 4741 0.639E-02 0.835E-02 RMM: 5 -0.335593510976E+03 0.28438E-04 -0.11778E-04 3813 0.283E-02 0.716E-02 RMM: 6 -0.335593482110E+03 0.28865E-04 -0.24301E-05 2571 0.146E-02 0.461E-02 RMM: 7 -0.335593489834E+03 -0.77231E-05 -0.21408E-05 2556 0.142E-02 4079 T= 5537. E= 0.67522856E+03 F= 0.62067550E+03 E0= 0.64918821E+03 EK= 0.45092E+02 SP= 0.94E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336002915456E+03 -0.40943E+00 -0.96662E-02 7800 0.221E+01 0.225E-01 RMM: 2 -0.336018581344E+03 -0.15666E-01 -0.83764E-02 4751 0.695E-01 0.113E+00 RMM: 3 -0.336009694198E+03 0.88871E-02 -0.10233E-02 5459 0.216E-01 0.188E-01 RMM: 4 -0.336009458631E+03 0.23557E-03 -0.89581E-04 4734 0.626E-02 0.101E-01 RMM: 5 -0.336009448268E+03 0.10363E-04 -0.14486E-04 3844 0.307E-02 4080 T= 5575. E= 0.67522608E+03 F= 0.62025954E+03 E0= 0.64873417E+03 EK= 0.45400E+02 SP= 0.95E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336554389710E+03 -0.54493E+00 -0.97271E-02 7808 0.222E+01 0.150E-01 RMM: 2 -0.336565309249E+03 -0.10920E-01 -0.79835E-02 4988 0.675E-01 0.763E-01 RMM: 3 -0.336561294230E+03 0.40150E-02 -0.90644E-03 5801 0.180E-01 0.147E-01 RMM: 4 -0.336561041076E+03 0.25315E-03 -0.48336E-04 4518 0.499E-02 0.765E-02 RMM: 5 -0.336560996773E+03 0.44303E-04 -0.76442E-05 3535 0.246E-02 0.581E-02 RMM: 6 -0.336560982120E+03 0.14653E-04 -0.22126E-05 2531 0.138E-02 4081 T= 5633. E= 0.67522232E+03 F= 0.61970801E+03 E0= 0.64814243E+03 EK= 0.45872E+02 SP= 0.96E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337169502927E+03 -0.60851E+00 -0.99345E-02 7672 0.222E+01 0.169E-01 RMM: 2 -0.337181598837E+03 -0.12096E-01 -0.78990E-02 4750 0.667E-01 0.867E-01 RMM: 3 -0.337176246445E+03 0.53524E-02 -0.93623E-03 5567 0.196E-01 0.166E-01 RMM: 4 -0.337176002165E+03 0.24428E-03 -0.62757E-04 4816 0.523E-02 0.619E-02 RMM: 5 -0.337175975841E+03 0.26324E-04 -0.76112E-05 3568 0.240E-02 0.553E-02 RMM: 6 -0.337175963401E+03 0.12440E-04 -0.23113E-05 2532 0.145E-02 4082 T= 5702. E= 0.67521688E+03 F= 0.61909303E+03 E0= 0.64748650E+03 EK= 0.46434E+02 SP= 0.97E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337769073097E+03 -0.59310E+00 -0.94466E-02 7624 0.223E+01 0.330E-01 RMM: 2 -0.337795564179E+03 -0.26491E-01 -0.79159E-02 5012 0.711E-01 0.174E+00 RMM: 3 -0.337774775322E+03 0.20789E-01 -0.13056E-02 5354 0.280E-01 0.327E-01 RMM: 4 -0.337773985961E+03 0.78936E-03 -0.15737E-03 4761 0.837E-02 0.800E-02 RMM: 5 -0.337773989571E+03 -0.36096E-05 -0.19659E-04 3904 0.330E-02 4083 T= 5772. E= 0.67521303E+03 F= 0.61849500E+03 E0= 0.64684727E+03 EK= 0.47007E+02 SP= 0.97E+01 SK= 0.20E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.338275729130E+03 -0.50174E+00 -0.96033E-02 7824 0.224E+01 0.188E-01 RMM: 2 -0.338290515298E+03 -0.14786E-01 -0.65263E-02 5051 0.596E-01 0.115E+00 RMM: 3 -0.338281266444E+03 0.92489E-02 -0.78332E-03 5398 0.197E-01 0.199E-01 RMM: 4 -0.338280982747E+03 0.28370E-03 -0.77727E-04 4664 0.575E-02 0.838E-02 RMM: 5 -0.338280944039E+03 0.38708E-04 -0.94262E-05 3768 0.259E-02 0.609E-02 RMM: 6 -0.338280922350E+03 0.21688E-04 -0.20380E-05 2534 0.132E-02 0.430E-02 RMM: 7 -0.338280925454E+03 -0.31037E-05 -0.24629E-05 2582 0.147E-02 4084 T= 5835. E= 0.67521061E+03 F= 0.61798806E+03 E0= 0.64629954E+03 EK= 0.47516E+02 SP= 0.97E+01 SK= 0.56E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.338635086445E+03 -0.35416E+00 -0.98349E-02 7752 0.224E+01 0.199E-01 RMM: 2 -0.338647269525E+03 -0.12183E-01 -0.79063E-02 4710 0.690E-01 0.908E-01 RMM: 3 -0.338641605316E+03 0.56642E-02 -0.99151E-03 5535 0.208E-01 0.174E-01 RMM: 4 -0.338641393191E+03 0.21213E-03 -0.73713E-04 4777 0.573E-02 0.913E-02 RMM: 5 -0.338641358524E+03 0.34667E-04 -0.11095E-04 3780 0.285E-02 0.724E-02 RMM: 6 -0.338641325636E+03 0.32887E-04 -0.30613E-05 2845 0.168E-02 0.226E-02 RMM: 7 -0.338641329851E+03 -0.42146E-05 -0.11671E-05 2482 0.114E-02 4085 T= 5882. E= 0.67520867E+03 F= 0.61762766E+03 E0= 0.64590008E+03 EK= 0.47901E+02 SP= 0.97E+01 SK= 0.34E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338818497586E+03 -0.17717E+00 -0.96232E-02 7816 0.224E+01 0.130E-01 RMM: 2 -0.338827030186E+03 -0.85326E-02 -0.68244E-02 4921 0.620E-01 0.613E-01 RMM: 3 -0.338824421557E+03 0.26086E-02 -0.78311E-03 5891 0.162E-01 0.117E-01 RMM: 4 -0.338824246468E+03 0.17509E-03 -0.36570E-04 4400 0.456E-02 0.822E-02 RMM: 5 -0.338824187794E+03 0.58674E-04 -0.54235E-05 3205 0.230E-02 0.422E-02 RMM: 6 -0.338824181407E+03 0.63867E-05 -0.17760E-05 2505 0.119E-02 4086 T= 5910. E= 0.67520814E+03 F= 0.61744481E+03 E0= 0.64567936E+03 EK= 0.48131E+02 SP= 0.96E+01 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338817076682E+03 0.71111E-02 -0.99455E-02 7496 0.224E+01 0.126E-01 RMM: 2 -0.338827112764E+03 -0.10036E-01 -0.75752E-02 4821 0.643E-01 0.685E-01 RMM: 3 -0.338823749575E+03 0.33632E-02 -0.88511E-03 5758 0.172E-01 0.121E-01 RMM: 4 -0.338823545810E+03 0.20377E-03 -0.41175E-04 4613 0.455E-02 0.569E-02 RMM: 5 -0.338823522575E+03 0.23234E-04 -0.47275E-05 2875 0.217E-02 0.456E-02 RMM: 6 -0.338823517263E+03 0.53119E-05 -0.21063E-05 2508 0.140E-02 4087 T= 5919. E= 0.67520979E+03 F= 0.61744547E+03 E0= 0.64564555E+03 EK= 0.48201E+02 SP= 0.95E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338654757936E+03 0.16876E+00 -0.94448E-02 7464 0.223E+01 0.252E-01 RMM: 2 -0.338672425595E+03 -0.17668E-01 -0.69261E-02 4923 0.642E-01 0.133E+00 RMM: 3 -0.338660156638E+03 0.12269E-01 -0.10040E-02 5394 0.232E-01 0.252E-01 RMM: 4 -0.338659693479E+03 0.46316E-03 -0.10291E-03 4677 0.663E-02 0.646E-02 RMM: 5 -0.338659691251E+03 0.22280E-05 -0.12189E-04 3873 0.272E-02 4088 T= 5910. E= 0.67521374E+03 F= 0.61760930E+03 E0= 0.64577790E+03 EK= 0.48130E+02 SP= 0.95E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338364012520E+03 0.29568E+00 -0.92270E-02 7552 0.222E+01 0.190E-01 RMM: 2 -0.338378709822E+03 -0.14697E-01 -0.73920E-02 4925 0.635E-01 0.108E+00 RMM: 3 -0.338370376440E+03 0.83334E-02 -0.93019E-03 5457 0.206E-01 0.202E-01 RMM: 4 -0.338370060056E+03 0.31638E-03 -0.77731E-04 4747 0.568E-02 0.684E-02 RMM: 5 -0.338370034888E+03 0.25167E-04 -0.86889E-05 3721 0.249E-02 0.588E-02 RMM: 6 -0.338370015354E+03 0.19535E-04 -0.20329E-05 2526 0.133E-02 4089 T= 5889. E= 0.67521842E+03 F= 0.61789897E+03 E0= 0.64604074E+03 EK= 0.47954E+02 SP= 0.93E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337996894372E+03 0.37314E+00 -0.93473E-02 7496 0.221E+01 0.150E-01 RMM: 2 -0.338006756237E+03 -0.98619E-02 -0.72352E-02 4764 0.646E-01 0.715E-01 RMM: 3 -0.338003165586E+03 0.35907E-02 -0.86386E-03 5623 0.186E-01 0.148E-01 RMM: 4 -0.338002948133E+03 0.21745E-03 -0.52944E-04 4751 0.491E-02 0.589E-02 RMM: 5 -0.338002927535E+03 0.20598E-04 -0.59208E-05 3255 0.217E-02 0.504E-02 RMM: 6 -0.338002917030E+03 0.10506E-04 -0.20483E-05 2510 0.140E-02 4090 T= 5860. E= 0.67522281E+03 F= 0.61826607E+03 E0= 0.64638542E+03 EK= 0.47721E+02 SP= 0.92E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337608412774E+03 0.39451E+00 -0.96044E-02 7648 0.221E+01 0.221E-01 RMM: 2 -0.337624047388E+03 -0.15635E-01 -0.64368E-02 4969 0.620E-01 0.122E+00 RMM: 3 -0.337613556789E+03 0.10491E-01 -0.85882E-03 5396 0.210E-01 0.207E-01 RMM: 4 -0.337613269166E+03 0.28762E-03 -0.87801E-04 4657 0.606E-02 0.735E-02 RMM: 5 -0.337613262274E+03 0.68926E-05 -0.10722E-04 3806 0.256E-02 4091 T= 5831. E= 0.67522770E+03 F= 0.61865573E+03 E0= 0.64675762E+03 EK= 0.47488E+02 SP= 0.90E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337247281103E+03 0.36599E+00 -0.95835E-02 7680 0.220E+01 0.178E-01 RMM: 2 -0.337261482009E+03 -0.14201E-01 -0.67194E-02 4954 0.619E-01 0.110E+00 RMM: 3 -0.337252962994E+03 0.85190E-02 -0.81136E-03 5447 0.193E-01 0.167E-01 RMM: 4 -0.337252754172E+03 0.20882E-03 -0.68041E-04 4702 0.539E-02 0.661E-02 RMM: 5 -0.337252730462E+03 0.23710E-04 -0.78998E-05 3673 0.232E-02 0.580E-02 RMM: 6 -0.337252711387E+03 0.19075E-04 -0.21126E-05 2541 0.140E-02 4092 T= 5809. E= 0.67523167E+03 F= 0.61901628E+03 E0= 0.64710650E+03 EK= 0.47305E+02 SP= 0.88E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336956307174E+03 0.29642E+00 -0.98267E-02 7680 0.220E+01 0.144E-01 RMM: 2 -0.336968061634E+03 -0.11754E-01 -0.84015E-02 4715 0.693E-01 0.779E-01 RMM: 3 -0.336963706678E+03 0.43550E-02 -0.99992E-03 5688 0.191E-01 0.130E-01 RMM: 4 -0.336963491626E+03 0.21505E-03 -0.54560E-04 4911 0.499E-02 0.607E-02 RMM: 5 -0.336963466604E+03 0.25021E-04 -0.62699E-05 3303 0.227E-02 0.472E-02 RMM: 6 -0.336963455831E+03 0.10773E-04 -0.18613E-05 2504 0.130E-02 4093 T= 5798. E= 0.67523444E+03 F= 0.61930553E+03 E0= 0.64738952E+03 EK= 0.47215E+02 SP= 0.86E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336771078441E+03 0.19239E+00 -0.92840E-02 7696 0.221E+01 0.221E-01 RMM: 2 -0.336787637663E+03 -0.16559E-01 -0.69025E-02 4848 0.650E-01 0.126E+00 RMM: 3 -0.336776695122E+03 0.10943E-01 -0.92758E-03 5383 0.219E-01 0.213E-01 RMM: 4 -0.336776370450E+03 0.32467E-03 -0.90855E-04 4685 0.621E-02 0.673E-02 RMM: 5 -0.336776366967E+03 0.34823E-05 -0.11382E-04 3826 0.270E-02 4094 T= 5802. E= 0.67523673E+03 F= 0.61949262E+03 E0= 0.64757564E+03 EK= 0.47251E+02 SP= 0.84E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336701833270E+03 0.74537E-01 -0.93748E-02 7800 0.222E+01 0.135E-01 RMM: 2 -0.336711816985E+03 -0.99837E-02 -0.63828E-02 4885 0.604E-01 0.790E-01 RMM: 3 -0.336707392504E+03 0.44245E-02 -0.73337E-03 5572 0.170E-01 0.138E-01 RMM: 4 -0.336707218508E+03 0.17400E-03 -0.45876E-04 4454 0.466E-02 0.580E-02 RMM: 5 -0.336707196010E+03 0.22499E-04 -0.54540E-05 3256 0.214E-02 0.460E-02 RMM: 6 -0.336707187403E+03 0.86065E-05 -0.18370E-05 2503 0.128E-02 4095 T= 5824. E= 0.67523780E+03 F= 0.61956180E+03 E0= 0.64764930E+03 EK= 0.47428E+02 SP= 0.81E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336750098002E+03 -0.42902E-01 -0.97069E-02 7776 0.223E+01 0.153E-01 RMM: 2 -0.336758910194E+03 -0.88122E-02 -0.63445E-02 4778 0.608E-01 0.705E-01 RMM: 3 -0.336755472676E+03 0.34375E-02 -0.75470E-03 5516 0.178E-01 0.126E-01 RMM: 4 -0.336755348191E+03 0.12449E-03 -0.51611E-04 4758 0.467E-02 0.720E-02 RMM: 5 -0.336755315075E+03 0.33116E-04 -0.57861E-05 3282 0.219E-02 0.482E-02 RMM: 6 -0.336755302888E+03 0.12186E-04 -0.18954E-05 2508 0.135E-02 4096 T= 5863. E= 0.67523704E+03 F= 0.61951369E+03 E0= 0.64760980E+03 EK= 0.47745E+02 SP= 0.78E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336898580024E+03 -0.14326E+00 -0.10092E-01 7600 0.225E+01 0.214E-01 RMM: 2 -0.336913524332E+03 -0.14944E-01 -0.69685E-02 4961 0.648E-01 0.116E+00 RMM: 3 -0.336904267110E+03 0.92572E-02 -0.87781E-03 5396 0.206E-01 0.216E-01 RMM: 4 -0.336903913193E+03 0.35392E-03 -0.85337E-04 4672 0.615E-02 0.651E-02 RMM: 5 -0.336903903268E+03 0.99255E-05 -0.11018E-04 3819 0.261E-02 4097 T= 5917. E= 0.67523601E+03 F= 0.61936509E+03 E0= 0.64747334E+03 EK= 0.48186E+02 SP= 0.75E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337117745903E+03 -0.21383E+00 -0.10008E-01 7672 0.227E+01 0.126E-01 RMM: 2 -0.337128077997E+03 -0.10332E-01 -0.73567E-02 4914 0.629E-01 0.725E-01 RMM: 3 -0.337124235179E+03 0.38428E-02 -0.81575E-03 5708 0.168E-01 0.136E-01 RMM: 4 -0.337124039598E+03 0.19558E-03 -0.46199E-04 4349 0.480E-02 0.562E-02 RMM: 5 -0.337124016934E+03 0.22664E-04 -0.53413E-05 3096 0.210E-02 0.474E-02 RMM: 6 -0.337124009228E+03 0.77055E-05 -0.19362E-05 2504 0.134E-02 4098 T= 5983. E= 0.67523423E+03 F= 0.61914498E+03 E0= 0.64726905E+03 EK= 0.48722E+02 SP= 0.71E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337370225423E+03 -0.24621E+00 -0.10366E-01 7728 0.229E+01 0.207E-01 RMM: 2 -0.337385373807E+03 -0.15148E-01 -0.80968E-02 4845 0.668E-01 0.110E+00 RMM: 3 -0.337376897887E+03 0.84759E-02 -0.99868E-03 5457 0.208E-01 0.184E-01 RMM: 4 -0.337376616591E+03 0.28130E-03 -0.81269E-04 4777 0.586E-02 0.691E-02 RMM: 5 -0.337376599655E+03 0.16936E-04 -0.10103E-04 3780 0.254E-02 4099 T= 6055. E= 0.67523257E+03 F= 0.61889239E+03 E0= 0.64703572E+03 EK= 0.49312E+02 SP= 0.67E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337610913673E+03 -0.23430E+00 -0.10181E-01 7704 0.232E+01 0.168E-01 RMM: 2 -0.337622837597E+03 -0.11924E-01 -0.64893E-02 4936 0.620E-01 0.961E-01 RMM: 3 -0.337616374456E+03 0.64631E-02 -0.76637E-03 5415 0.188E-01 0.168E-01 RMM: 4 -0.337616168133E+03 0.20632E-03 -0.63691E-04 4655 0.537E-02 0.725E-02 RMM: 5 -0.337616134620E+03 0.33513E-04 -0.84036E-05 3647 0.249E-02 0.557E-02 RMM: 6 -0.337616117180E+03 0.17439E-04 -0.20132E-05 2538 0.132E-02 4100 T= 6129. E= 0.67523058E+03 F= 0.61865287E+03 E0= 0.64681844E+03 EK= 0.49909E+02 SP= 0.64E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337788000590E+03 -0.17187E+00 -0.10416E-01 7576 0.233E+01 0.137E-01 RMM: 2 -0.337795999559E+03 -0.79990E-02 -0.53996E-02 4975 0.562E-01 0.713E-01 RMM: 3 -0.337792563641E+03 0.34359E-02 -0.59379E-03 5484 0.157E-01 0.128E-01 RMM: 4 -0.337792436953E+03 0.12669E-03 -0.40187E-04 4316 0.436E-02 0.641E-02 RMM: 5 -0.337792404569E+03 0.32384E-04 -0.48156E-05 3031 0.212E-02 0.443E-02 RMM: 6 -0.337792397396E+03 0.71722E-05 -0.19507E-05 2503 0.133E-02 4101 T= 6196. E= 0.67522867E+03 F= 0.61847659E+03 E0= 0.64666824E+03 EK= 0.50460E+02 SP= 0.60E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337856293928E+03 -0.63889E-01 -0.10202E-01 7384 0.235E+01 0.222E-01 RMM: 2 -0.337869670592E+03 -0.13377E-01 -0.60859E-02 5013 0.619E-01 0.113E+00 RMM: 3 -0.337861059205E+03 0.86114E-02 -0.80087E-03 5343 0.206E-01 0.220E-01 RMM: 4 -0.337860735793E+03 0.32341E-03 -0.82541E-04 4628 0.610E-02 0.744E-02 RMM: 5 -0.337860718224E+03 0.17569E-04 -0.10961E-04 3810 0.267E-02 4102 T= 6253. E= 0.67522770E+03 F= 0.61840827E+03 E0= 0.64662933E+03 EK= 0.50919E+02 SP= 0.56E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337778330401E+03 0.82405E-01 -0.10026E-01 7368 0.236E+01 0.181E-01 RMM: 2 -0.337789703486E+03 -0.11373E-01 -0.56828E-02 5113 0.582E-01 0.100E+00 RMM: 3 -0.337783015664E+03 0.66878E-02 -0.64093E-03 5390 0.175E-01 0.197E-01 RMM: 4 -0.337782747279E+03 0.26838E-03 -0.60888E-04 4621 0.536E-02 0.622E-02 RMM: 5 -0.337782714949E+03 0.32330E-04 -0.69119E-05 3512 0.216E-02 0.557E-02 RMM: 6 -0.337782699795E+03 0.15154E-04 -0.19080E-05 2520 0.133E-02 4103 T= 6293. E= 0.67522773E+03 F= 0.61848629E+03 E0= 0.64673933E+03 EK= 0.51245E+02 SP= 0.51E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337529556839E+03 0.25316E+00 -0.10497E-01 7424 0.236E+01 0.213E-01 RMM: 2 -0.337543260286E+03 -0.13703E-01 -0.72252E-02 4866 0.670E-01 0.108E+00 RMM: 3 -0.337535427407E+03 0.78329E-02 -0.92669E-03 5371 0.215E-01 0.202E-01 RMM: 4 -0.337535144041E+03 0.28337E-03 -0.81745E-04 4741 0.578E-02 0.660E-02 RMM: 5 -0.337535122083E+03 0.21958E-04 -0.98373E-05 3743 0.267E-02 0.634E-02 RMM: 6 -0.337535097598E+03 0.24484E-04 -0.22837E-05 2558 0.144E-02 0.307E-02 RMM: 7 -0.337535100162E+03 -0.25634E-05 -0.14031E-05 2483 0.118E-02 4104 T= 6313. E= 0.67522818E+03 F= 0.61873389E+03 E0= 0.64702090E+03 EK= 0.51411E+02 SP= 0.47E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337109169226E+03 0.42593E+00 -0.10088E-01 7464 0.236E+01 0.210E-01 RMM: 2 -0.337120084163E+03 -0.10915E-01 -0.63663E-02 5046 0.630E-01 0.942E-01 RMM: 3 -0.337114214237E+03 0.58699E-02 -0.76310E-03 5391 0.190E-01 0.201E-01 RMM: 4 -0.337113967368E+03 0.24687E-03 -0.77537E-04 4653 0.612E-02 0.104E-01 RMM: 5 -0.337113922792E+03 0.44576E-04 -0.12036E-04 3831 0.290E-02 0.802E-02 RMM: 6 -0.337113878560E+03 0.44232E-04 -0.29808E-05 2865 0.173E-02 0.242E-02 RMM: 7 -0.337113878575E+03 -0.15509E-07 -0.11404E-05 2478 0.104E-02 4105 T= 6313. E= 0.67523011E+03 F= 0.61915511E+03 E0= 0.64747678E+03 EK= 0.51413E+02 SP= 0.43E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336528327446E+03 0.58555E+00 -0.10773E-01 7488 0.235E+01 0.179E-01 RMM: 2 -0.336539946659E+03 -0.11619E-01 -0.80273E-02 4905 0.693E-01 0.838E-01 RMM: 3 -0.336535099369E+03 0.48473E-02 -0.95831E-03 5514 0.196E-01 0.128E-01 RMM: 4 -0.336534929278E+03 0.17009E-03 -0.60503E-04 4837 0.511E-02 0.760E-02 RMM: 5 -0.336534888119E+03 0.41159E-04 -0.68924E-05 3396 0.244E-02 0.553E-02 RMM: 6 -0.336534869207E+03 0.18911E-04 -0.23079E-05 2532 0.146E-02 4106 T= 6295. E= 0.67523377E+03 F= 0.61973412E+03 E0= 0.64808901E+03 EK= 0.51265E+02 SP= 0.38E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335829255831E+03 0.70563E+00 -0.10634E-01 7320 0.234E+01 0.198E-01 RMM: 2 -0.335840715530E+03 -0.11460E-01 -0.59760E-02 4916 0.618E-01 0.100E+00 RMM: 3 -0.335834069436E+03 0.66461E-02 -0.76720E-03 5359 0.199E-01 0.198E-01 RMM: 4 -0.335833796740E+03 0.27270E-03 -0.65386E-04 4717 0.532E-02 0.630E-02 RMM: 5 -0.335833773759E+03 0.22981E-04 -0.71783E-05 3464 0.243E-02 0.568E-02 RMM: 6 -0.335833755912E+03 0.17847E-04 -0.21100E-05 2534 0.138E-02 4107 T= 6263. E= 0.67523871E+03 F= 0.62043523E+03 E0= 0.64882117E+03 EK= 0.51003E+02 SP= 0.34E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335054571413E+03 0.77920E+00 -0.11356E-01 7192 0.233E+01 0.251E-01 RMM: 2 -0.335074947499E+03 -0.20376E-01 -0.87968E-02 4922 0.718E-01 0.139E+00 RMM: 3 -0.335061727635E+03 0.13220E-01 -0.11706E-02 5373 0.244E-01 0.250E-01 RMM: 4 -0.335061257677E+03 0.46996E-03 -0.11163E-03 4761 0.694E-02 0.761E-02 RMM: 5 -0.335061239193E+03 0.18484E-04 -0.13563E-04 3941 0.282E-02 4108 T= 6223. E= 0.67524404E+03 F= 0.62120775E+03 E0= 0.64962116E+03 EK= 0.50675E+02 SP= 0.29E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334268273941E+03 0.79298E+00 -0.10850E-01 7488 0.231E+01 0.170E-01 RMM: 2 -0.334279737222E+03 -0.11463E-01 -0.67239E-02 4905 0.638E-01 0.910E-01 RMM: 3 -0.334274073706E+03 0.56635E-02 -0.80479E-03 5420 0.193E-01 0.189E-01 RMM: 4 -0.334273809081E+03 0.26462E-03 -0.63334E-04 4652 0.547E-02 0.679E-02 RMM: 5 -0.334273785516E+03 0.23565E-04 -0.74691E-05 3529 0.235E-02 0.619E-02 RMM: 6 -0.334273766109E+03 0.19408E-04 -0.22291E-05 2532 0.145E-02 4109 T= 6182. E= 0.67524949E+03 F= 0.62199522E+03 E0= 0.65043355E+03 EK= 0.50340E+02 SP= 0.25E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333523612146E+03 0.75017E+00 -0.10609E-01 7536 0.230E+01 0.218E-01 RMM: 2 -0.333538341221E+03 -0.14729E-01 -0.73636E-02 4776 0.681E-01 0.113E+00 RMM: 3 -0.333529683726E+03 0.86575E-02 -0.97283E-03 5366 0.223E-01 0.204E-01 RMM: 4 -0.333529409281E+03 0.27445E-03 -0.87953E-04 4669 0.616E-02 0.750E-02 RMM: 5 -0.333529398004E+03 0.11277E-04 -0.11188E-04 3815 0.279E-02 4110 T= 6147. E= 0.67525518E+03 F= 0.62273959E+03 E0= 0.65119975E+03 EK= 0.50057E+02 SP= 0.20E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332873496720E+03 0.65591E+00 -0.10121E-01 7760 0.229E+01 0.189E-01 RMM: 2 -0.332887609899E+03 -0.14113E-01 -0.69688E-02 4882 0.653E-01 0.109E+00 RMM: 3 -0.332879400503E+03 0.82094E-02 -0.87191E-03 5399 0.207E-01 0.188E-01 RMM: 4 -0.332879162041E+03 0.23846E-03 -0.72471E-04 4702 0.563E-02 0.729E-02 RMM: 5 -0.332879133724E+03 0.28317E-04 -0.91485E-05 3666 0.261E-02 0.633E-02 RMM: 6 -0.332879112121E+03 0.21603E-04 -0.24442E-05 2561 0.149E-02 0.375E-02 RMM: 7 -0.332879115768E+03 -0.36463E-05 -0.16650E-05 2506 0.126E-02 4111 T= 6125. E= 0.67525949E+03 F= 0.62338987E+03 E0= 0.65187076E+03 EK= 0.49877E+02 SP= 0.15E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332351714050E+03 0.52740E+00 -0.10761E-01 7632 0.228E+01 0.186E-01 RMM: 2 -0.332364323549E+03 -0.12609E-01 -0.89538E-02 4672 0.745E-01 0.853E-01 RMM: 3 -0.332359298672E+03 0.50249E-02 -0.10779E-02 5625 0.209E-01 0.148E-01 RMM: 4 -0.332359122033E+03 0.17664E-03 -0.70082E-04 4742 0.589E-02 0.101E-01 RMM: 5 -0.332359084315E+03 0.37718E-04 -0.10333E-04 3686 0.273E-02 0.760E-02 RMM: 6 -0.332359046055E+03 0.38261E-04 -0.30152E-05 2803 0.169E-02 0.155E-02 RMM: 7 -0.332359048088E+03 -0.20336E-05 -0.96993E-06 2471 0.104E-02 4112 T= 6120. E= 0.67526109E+03 F= 0.62390994E+03 E0= 0.65241110E+03 EK= 0.49838E+02 SP= 0.98E+00 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331978436574E+03 0.38061E+00 -0.10407E-01 7672 0.229E+01 0.144E-01 RMM: 2 -0.331987537867E+03 -0.91013E-02 -0.75691E-02 4827 0.680E-01 0.625E-01 RMM: 3 -0.331984974714E+03 0.25632E-02 -0.91191E-03 5821 0.184E-01 0.874E-02 RMM: 4 -0.331984842543E+03 0.13217E-03 -0.42405E-04 4735 0.468E-02 0.890E-02 RMM: 5 -0.331984783372E+03 0.59171E-04 -0.56207E-05 3292 0.230E-02 0.477E-02 RMM: 6 -0.331984773795E+03 0.95772E-05 -0.18741E-05 2512 0.127E-02 4113 T= 6135. E= 0.67526155E+03 F= 0.62428422E+03 E0= 0.65280688E+03 EK= 0.49957E+02 SP= 0.46E+00 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331744748178E+03 0.24004E+00 -0.10283E-01 7616 0.229E+01 0.140E-01 RMM: 2 -0.331753690659E+03 -0.89425E-02 -0.68319E-02 4845 0.637E-01 0.663E-01 RMM: 3 -0.331750666862E+03 0.30238E-02 -0.80593E-03 5649 0.179E-01 0.112E-01 RMM: 4 -0.331750527342E+03 0.13952E-03 -0.41996E-04 4863 0.431E-02 0.609E-02 RMM: 5 -0.331750502443E+03 0.24899E-04 -0.41919E-05 2698 0.214E-02 0.498E-02 RMM: 6 -0.331750494480E+03 0.79631E-05 -0.20993E-05 2508 0.145E-02 4114 T= 6168. E= 0.67526087E+03 F= 0.62451849E+03 E0= 0.65306488E+03 EK= 0.50230E+02 SP= -.80E-01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331626452871E+03 0.12405E+00 -0.10210E-01 7376 0.231E+01 0.268E-01 RMM: 2 -0.331644093148E+03 -0.17640E-01 -0.75437E-02 4900 0.693E-01 0.132E+00 RMM: 3 -0.331632243067E+03 0.11850E-01 -0.10875E-02 5349 0.247E-01 0.263E-01 RMM: 4 -0.331631765186E+03 0.47788E-03 -0.11294E-03 4661 0.698E-02 0.744E-02 RMM: 5 -0.331631769705E+03 -0.45191E-05 -0.15025E-04 3877 0.311E-02 4115 T= 6218. E= 0.67525986E+03 F= 0.62463722E+03 E0= 0.65320970E+03 EK= 0.50634E+02 SP= -.63E+00 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331582092430E+03 0.49673E-01 -0.10361E-01 7608 0.232E+01 0.188E-01 RMM: 2 -0.331596584973E+03 -0.14493E-01 -0.79094E-02 4931 0.675E-01 0.105E+00 RMM: 3 -0.331588869719E+03 0.77153E-02 -0.92921E-03 5423 0.208E-01 0.193E-01 RMM: 4 -0.331588597081E+03 0.27264E-03 -0.79946E-04 4691 0.599E-02 0.795E-02 RMM: 5 -0.331588561336E+03 0.35745E-04 -0.97476E-05 3826 0.255E-02 0.613E-02 RMM: 6 -0.331588541191E+03 0.20145E-04 -0.20862E-05 2538 0.136E-02 0.418E-02 RMM: 7 -0.331588544255E+03 -0.30637E-05 -0.19453E-05 2528 0.134E-02 4116 T= 6278. E= 0.67525831E+03 F= 0.62468045E+03 E0= 0.65328087E+03 EK= 0.51128E+02 SP= -.12E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331567051791E+03 0.21489E-01 -0.11079E-01 7552 0.234E+01 0.174E-01 RMM: 2 -0.331578002724E+03 -0.10951E-01 -0.88478E-02 4737 0.726E-01 0.708E-01 RMM: 3 -0.331574573089E+03 0.34296E-02 -0.10657E-02 5800 0.200E-01 0.144E-01 RMM: 4 -0.331574391221E+03 0.18187E-03 -0.61997E-04 4708 0.568E-02 0.116E-01 RMM: 5 -0.331574327321E+03 0.63900E-04 -0.10304E-04 3628 0.277E-02 0.736E-02 RMM: 6 -0.331574292338E+03 0.34984E-04 -0.30096E-05 2809 0.171E-02 0.187E-02 RMM: 7 -0.331574295111E+03 -0.27729E-05 -0.11202E-05 2476 0.112E-02 4117 T= 6344. E= 0.67525582E+03 F= 0.62469469E+03 E0= 0.65332480E+03 EK= 0.51663E+02 SP= -.18E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331532951847E+03 0.41340E-01 -0.11407E-01 7744 0.236E+01 0.158E-01 RMM: 2 -0.331547337428E+03 -0.14386E-01 -0.12080E-01 4825 0.813E-01 0.724E-01 RMM: 3 -0.331543671687E+03 0.36657E-02 -0.14020E-02 6032 0.205E-01 0.131E-01 RMM: 4 -0.331543375518E+03 0.29617E-03 -0.65620E-04 4668 0.619E-02 0.101E-01 RMM: 5 -0.331543298043E+03 0.77476E-04 -0.93046E-05 3635 0.274E-02 0.529E-02 RMM: 6 -0.331543284076E+03 0.13966E-04 -0.23568E-05 2546 0.141E-02 4118 T= 6409. E= 0.67525395E+03 F= 0.62472571E+03 E0= 0.65338530E+03 EK= 0.52194E+02 SP= -.23E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331445219196E+03 0.98079E-01 -0.11997E-01 7528 0.237E+01 0.156E-01 RMM: 2 -0.331462340380E+03 -0.17121E-01 -0.13242E-01 4778 0.843E-01 0.843E-01 RMM: 3 -0.331457094444E+03 0.52459E-02 -0.15439E-02 5873 0.221E-01 0.152E-01 RMM: 4 -0.331456711872E+03 0.38257E-03 -0.70206E-04 4841 0.596E-02 0.657E-02 RMM: 5 -0.331456681874E+03 0.29998E-04 -0.86060E-05 3652 0.260E-02 0.544E-02 RMM: 6 -0.331456670622E+03 0.11252E-04 -0.22413E-05 2526 0.144E-02 4119 T= 6469. E= 0.67525295E+03 F= 0.62481232E+03 E0= 0.65350144E+03 EK= 0.52679E+02 SP= -.29E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331280615410E+03 0.17607E+00 -0.11157E-01 7424 0.238E+01 0.296E-01 RMM: 2 -0.331307610484E+03 -0.26995E-01 -0.96031E-02 4892 0.766E-01 0.170E+00 RMM: 3 -0.331288075528E+03 0.19535E-01 -0.13618E-02 5398 0.273E-01 0.293E-01 RMM: 4 -0.331287458020E+03 0.61751E-03 -0.14932E-03 4810 0.802E-02 0.825E-02 RMM: 5 -0.331287450599E+03 0.74210E-05 -0.17995E-04 3943 0.317E-02 4120 T= 6519. E= 0.67525394E+03 F= 0.62498154E+03 E0= 0.65369931E+03 EK= 0.53090E+02 SP= -.35E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331012357763E+03 0.27510E+00 -0.11987E-01 7808 0.239E+01 0.189E-01 RMM: 2 -0.331030765627E+03 -0.18408E-01 -0.10160E-01 5008 0.738E-01 0.116E+00 RMM: 3 -0.331021173631E+03 0.95920E-02 -0.11518E-02 5501 0.223E-01 0.207E-01 RMM: 4 -0.331020830877E+03 0.34275E-03 -0.91718E-04 4805 0.630E-02 0.840E-02 RMM: 5 -0.331020787134E+03 0.43743E-04 -0.11140E-04 3894 0.269E-02 0.650E-02 RMM: 6 -0.331020764996E+03 0.22138E-04 -0.23038E-05 2558 0.143E-02 0.459E-02 RMM: 7 -0.331020771638E+03 -0.66425E-05 -0.24630E-05 2584 0.144E-02 4121 T= 6558. E= 0.67525595E+03 F= 0.62524822E+03 E0= 0.65399434E+03 EK= 0.53408E+02 SP= -.41E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330648591896E+03 0.37217E+00 -0.11989E-01 7832 0.240E+01 0.241E-01 RMM: 2 -0.330664242258E+03 -0.15650E-01 -0.94561E-02 4831 0.745E-01 0.109E+00 RMM: 3 -0.330656147536E+03 0.80947E-02 -0.11311E-02 5586 0.222E-01 0.212E-01 RMM: 4 -0.330655843327E+03 0.30421E-03 -0.95436E-04 4695 0.681E-02 0.126E-01 RMM: 5 -0.330655795977E+03 0.47350E-04 -0.15638E-04 3851 0.319E-02 0.970E-02 RMM: 6 -0.330655734340E+03 0.61637E-04 -0.45483E-05 3150 0.203E-02 0.206E-02 RMM: 7 -0.330655740278E+03 -0.59374E-05 -0.13716E-05 2494 0.117E-02 4122 T= 6585. E= 0.67525764E+03 F= 0.62561325E+03 E0= 0.65438766E+03 EK= 0.53627E+02 SP= -.46E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330193126344E+03 0.46261E+00 -0.12640E-01 7928 0.240E+01 0.154E-01 RMM: 2 -0.330203862776E+03 -0.10736E-01 -0.90799E-02 5019 0.712E-01 0.661E-01 RMM: 3 -0.330200956841E+03 0.29059E-02 -0.10222E-02 6005 0.183E-01 0.119E-01 RMM: 4 -0.330200723989E+03 0.23285E-03 -0.45301E-04 4516 0.505E-02 0.109E-01 RMM: 5 -0.330200632220E+03 0.91769E-04 -0.77519E-05 3470 0.260E-02 0.480E-02 RMM: 6 -0.330200622676E+03 0.95445E-05 -0.21300E-05 2535 0.130E-02 4123 T= 6601. E= 0.67525910E+03 F= 0.62606837E+03 E0= 0.65487047E+03 EK= 0.53755E+02 SP= -.52E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329657355006E+03 0.54328E+00 -0.13460E-01 7776 0.241E+01 0.170E-01 RMM: 2 -0.329673015893E+03 -0.15661E-01 -0.11381E-01 4814 0.785E-01 0.900E-01 RMM: 3 -0.329667363487E+03 0.56524E-02 -0.13478E-02 5816 0.217E-01 0.189E-01 RMM: 4 -0.329666929588E+03 0.43390E-03 -0.69195E-04 4861 0.582E-02 0.650E-02 RMM: 5 -0.329666909609E+03 0.19979E-04 -0.90394E-05 3758 0.256E-02 4124 T= 6607. E= 0.67526136E+03 F= 0.62660208E+03 E0= 0.65543134E+03 EK= 0.53802E+02 SP= -.58E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329060835678E+03 0.60609E+00 -0.13739E-01 7872 0.241E+01 0.172E-01 RMM: 2 -0.329074007847E+03 -0.13172E-01 -0.10799E-01 4886 0.773E-01 0.734E-01 RMM: 3 -0.329070306310E+03 0.37015E-02 -0.12847E-02 5882 0.212E-01 0.189E-01 RMM: 4 -0.329069884602E+03 0.42171E-03 -0.63595E-04 4862 0.565E-02 0.812E-02 RMM: 5 -0.329069836723E+03 0.47878E-04 -0.84072E-05 3703 0.237E-02 0.675E-02 RMM: 6 -0.329069823711E+03 0.13013E-04 -0.23779E-05 2541 0.148E-02 4125 T= 6604. E= 0.67526375E+03 F= 0.62719917E+03 E0= 0.65605247E+03 EK= 0.53782E+02 SP= -.64E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328414362139E+03 0.65547E+00 -0.14702E-01 7760 0.242E+01 0.311E-01 RMM: 2 -0.328441933441E+03 -0.27571E-01 -0.13529E-01 4735 0.881E-01 0.155E+00 RMM: 3 -0.328425290986E+03 0.16642E-01 -0.17724E-02 5420 0.298E-01 0.325E-01 RMM: 4 -0.328424503293E+03 0.78769E-03 -0.17748E-03 5042 0.854E-02 0.770E-02 RMM: 5 -0.328424543846E+03 -0.40553E-04 -0.23642E-04 4007 0.335E-02 0.115E-01 RMM: 6 -0.328424461124E+03 0.82723E-04 -0.52310E-05 3222 0.212E-02 0.376E-02 RMM: 7 -0.328424457713E+03 0.34108E-05 -0.15842E-05 2503 0.124E-02 4126 T= 6595. E= 0.67526582E+03 F= 0.62784453E+03 E0= 0.65671761E+03 EK= 0.53708E+02 SP= -.69E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327737375391E+03 0.68709E+00 -0.13568E-01 7920 0.242E+01 0.275E-01 RMM: 2 -0.327762878148E+03 -0.25503E-01 -0.11309E-01 4835 0.793E-01 0.152E+00 RMM: 3 -0.327746824715E+03 0.16053E-01 -0.14753E-02 5430 0.270E-01 0.292E-01 RMM: 4 -0.327746197791E+03 0.62692E-03 -0.16239E-03 4880 0.854E-02 0.112E-01 RMM: 5 -0.327746174395E+03 0.23396E-04 -0.22212E-04 3914 0.361E-02 0.103E-01 RMM: 6 -0.327746098070E+03 0.76325E-04 -0.51389E-05 3184 0.208E-02 0.360E-02 RMM: 7 -0.327746099260E+03 -0.11905E-05 -0.19653E-05 2526 0.134E-02 4127 T= 6582. E= 0.67526828E+03 F= 0.62852289E+03 E0= 0.65740815E+03 EK= 0.53598E+02 SP= -.75E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327044022442E+03 0.70208E+00 -0.13743E-01 7848 0.242E+01 0.237E-01 RMM: 2 -0.327065103694E+03 -0.21081E-01 -0.11676E-01 4790 0.811E-01 0.126E+00 RMM: 3 -0.327053807435E+03 0.11296E-01 -0.14726E-02 5516 0.254E-01 0.209E-01 RMM: 4 -0.327053429078E+03 0.37836E-03 -0.11343E-03 5076 0.662E-02 0.730E-02 RMM: 5 -0.327053406664E+03 0.22414E-04 -0.13177E-04 3857 0.304E-02 0.760E-02 RMM: 6 -0.327053370171E+03 0.36492E-04 -0.30286E-05 2781 0.165E-02 0.356E-02 RMM: 7 -0.327053373210E+03 -0.30392E-05 -0.15301E-05 2504 0.124E-02 4128 T= 6566. E= 0.67527048E+03 F= 0.62921562E+03 E0= 0.65810346E+03 EK= 0.53468E+02 SP= -.80E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326355178963E+03 0.69819E+00 -0.13189E-01 7928 0.243E+01 0.182E-01 RMM: 2 -0.326370954476E+03 -0.15776E-01 -0.12429E-01 4850 0.812E-01 0.834E-01 RMM: 3 -0.326366103480E+03 0.48510E-02 -0.15091E-02 5959 0.219E-01 0.174E-01 RMM: 4 -0.326365691029E+03 0.41245E-03 -0.80988E-04 4821 0.640E-02 0.971E-02 RMM: 5 -0.326365641250E+03 0.49780E-04 -0.11925E-04 3795 0.286E-02 0.671E-02 RMM: 6 -0.326365612823E+03 0.28427E-04 -0.27295E-05 2665 0.158E-02 0.323E-02 RMM: 7 -0.326365613100E+03 -0.27721E-06 -0.14042E-05 2489 0.119E-02 4129 T= 6550. E= 0.67527254E+03 F= 0.62990338E+03 E0= 0.65878342E+03 EK= 0.53339E+02 SP= -.86E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325693744476E+03 0.67187E+00 -0.14264E-01 7776 0.244E+01 0.157E-01 RMM: 2 -0.325708806527E+03 -0.15062E-01 -0.12719E-01 4818 0.814E-01 0.718E-01 RMM: 3 -0.325704969753E+03 0.38368E-02 -0.14720E-02 6045 0.213E-01 0.144E-01 RMM: 4 -0.325704606851E+03 0.36290E-03 -0.61637E-04 4743 0.574E-02 0.879E-02 RMM: 5 -0.325704556808E+03 0.50043E-04 -0.87461E-05 3677 0.251E-02 0.633E-02 RMM: 6 -0.325704535710E+03 0.21098E-04 -0.25320E-05 2556 0.154E-02 0.384E-02 RMM: 7 -0.325704537912E+03 -0.22018E-05 -0.21790E-05 2534 0.137E-02 4130 T= 6537. E= 0.67527456E+03 F= 0.63056445E+03 E0= 0.65942687E+03 EK= 0.53234E+02 SP= -.91E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325085891671E+03 0.61864E+00 -0.13649E-01 7728 0.244E+01 0.186E-01 RMM: 2 -0.325101208919E+03 -0.15317E-01 -0.12268E-01 4828 0.814E-01 0.813E-01 RMM: 3 -0.325096516398E+03 0.46925E-02 -0.14589E-02 5950 0.219E-01 0.162E-01 RMM: 4 -0.325096144890E+03 0.37151E-03 -0.71628E-04 4880 0.600E-02 0.982E-02 RMM: 5 -0.325096096299E+03 0.48591E-04 -0.10820E-04 3763 0.275E-02 0.705E-02 RMM: 6 -0.325096066970E+03 0.29330E-04 -0.28202E-05 2685 0.162E-02 0.326E-02 RMM: 7 -0.325096069949E+03 -0.29789E-05 -0.16991E-05 2498 0.128E-02 4131 T= 6530. E= 0.67527672E+03 F= 0.63117292E+03 E0= 0.66000996E+03 EK= 0.53179E+02 SP= -.97E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324561716983E+03 0.53435E+00 -0.12224E-01 7608 0.245E+01 0.158E-01 RMM: 2 -0.324572274655E+03 -0.10558E-01 -0.85418E-02 5135 0.679E-01 0.692E-01 RMM: 3 -0.324568835901E+03 0.34388E-02 -0.86742E-03 5956 0.172E-01 0.149E-01 RMM: 4 -0.324568594514E+03 0.24139E-03 -0.46001E-04 4407 0.502E-02 0.921E-02 RMM: 5 -0.324568529410E+03 0.65103E-04 -0.69658E-05 3429 0.230E-02 0.599E-02 RMM: 6 -0.324568513669E+03 0.15741E-04 -0.21652E-05 2538 0.142E-02 4132 T= 6533. E= 0.67527923E+03 F= 0.63170048E+03 E0= 0.66050697E+03 EK= 0.53204E+02 SP= -.10E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324144198361E+03 0.42433E+00 -0.11765E-01 7544 0.245E+01 0.187E-01 RMM: 2 -0.324158267605E+03 -0.14069E-01 -0.90341E-02 5067 0.702E-01 0.957E-01 RMM: 3 -0.324151769029E+03 0.64986E-02 -0.98572E-03 5601 0.200E-01 0.171E-01 RMM: 4 -0.324151516465E+03 0.25256E-03 -0.65236E-04 4900 0.524E-02 0.741E-02 RMM: 5 -0.324151473676E+03 0.42789E-04 -0.71296E-05 3536 0.224E-02 0.631E-02 RMM: 6 -0.324151460210E+03 0.13467E-04 -0.22963E-05 2544 0.144E-02 4133 T= 6550. E= 0.67528163E+03 F= 0.63211753E+03 E0= 0.66089141E+03 EK= 0.53339E+02 SP= -.11E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323866618610E+03 0.28486E+00 -0.11293E-01 7440 0.246E+01 0.332E-01 RMM: 2 -0.323898432126E+03 -0.31814E-01 -0.90261E-02 5109 0.745E-01 0.192E+00 RMM: 3 -0.323873268658E+03 0.25163E-01 -0.14106E-02 5366 0.289E-01 0.324E-01 RMM: 4 -0.323872500411E+03 0.76825E-03 -0.16583E-03 4776 0.850E-02 0.801E-02 RMM: 5 -0.323872491469E+03 0.89420E-05 -0.19002E-04 4083 0.304E-02 4134 T= 6584. E= 0.67528478E+03 F= 0.63239650E+03 E0= 0.66113727E+03 EK= 0.53614E+02 SP= -.11E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323745325834E+03 0.12717E+00 -0.11050E-01 7432 0.247E+01 0.234E-01 RMM: 2 -0.323765771935E+03 -0.20446E-01 -0.82341E-02 5227 0.669E-01 0.141E+00 RMM: 3 -0.323752098120E+03 0.13674E-01 -0.95691E-03 5389 0.223E-01 0.268E-01 RMM: 4 -0.323751594694E+03 0.50343E-03 -0.10648E-03 4693 0.684E-02 0.901E-02 RMM: 5 -0.323751557266E+03 0.37428E-04 -0.12669E-04 3940 0.280E-02 0.792E-02 RMM: 6 -0.323751522010E+03 0.35256E-04 -0.23834E-05 2590 0.145E-02 0.539E-02 RMM: 7 -0.323751533760E+03 -0.11750E-04 -0.40122E-05 2981 0.184E-02 4135 T= 6637. E= 0.67528663E+03 F= 0.63251746E+03 E0= 0.66122763E+03 EK= 0.54045E+02 SP= -.12E+02 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323786019452E+03 -0.34497E-01 -0.10917E-01 7304 0.248E+01 0.261E-01 RMM: 2 -0.323801606828E+03 -0.15587E-01 -0.93021E-02 5033 0.746E-01 0.112E+00 RMM: 3 -0.323793177975E+03 0.84289E-02 -0.10776E-02 5498 0.223E-01 0.219E-01 RMM: 4 -0.323792934566E+03 0.24341E-03 -0.10453E-03 4687 0.703E-02 0.151E-01 RMM: 5 -0.323792876291E+03 0.58274E-04 -0.20311E-04 3883 0.350E-02 0.125E-01 RMM: 6 -0.323792774103E+03 0.10219E-03 -0.72693E-05 3472 0.252E-02 0.248E-02 RMM: 7 -0.323792779497E+03 -0.53936E-05 -0.15558E-05 2516 0.119E-02 4136 T= 6709. E= 0.67528619E+03 F= 0.63247621E+03 E0= 0.66115771E+03 EK= 0.54636E+02 SP= -.12E+02 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323972326257E+03 -0.17955E+00 -0.10955E-01 7488 0.248E+01 0.185E-01 RMM: 2 -0.323985922191E+03 -0.13596E-01 -0.94748E-02 5074 0.740E-01 0.904E-01 RMM: 3 -0.323980455252E+03 0.54669E-02 -0.10463E-02 5761 0.195E-01 0.153E-01 RMM: 4 -0.323980194308E+03 0.26094E-03 -0.61435E-04 4705 0.561E-02 0.101E-01 RMM: 5 -0.323980115878E+03 0.78430E-04 -0.97517E-05 3682 0.259E-02 0.614E-02 RMM: 6 -0.323980096890E+03 0.18988E-04 -0.23323E-05 2550 0.143E-02 4137 T= 6799. E= 0.67528474E+03 F= 0.63228889E+03 E0= 0.66094286E+03 EK= 0.55370E+02 SP= -.13E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324267478052E+03 -0.28736E+00 -0.11467E-01 7424 0.250E+01 0.205E-01 RMM: 2 -0.324284610289E+03 -0.17132E-01 -0.11314E-01 4915 0.794E-01 0.103E+00 RMM: 3 -0.324277151811E+03 0.74585E-02 -0.13101E-02 5598 0.227E-01 0.196E-01 RMM: 4 -0.324276798618E+03 0.35319E-03 -0.88937E-04 4943 0.605E-02 0.796E-02 RMM: 5 -0.324276760468E+03 0.38150E-04 -0.12053E-04 3926 0.279E-02 0.767E-02 RMM: 6 -0.324276728791E+03 0.31677E-04 -0.32979E-05 2777 0.173E-02 0.526E-02 RMM: 7 -0.324276758360E+03 -0.29569E-04 -0.53838E-05 3278 0.208E-02 0.934E-02 RMM: 8 -0.324276694471E+03 0.63889E-04 -0.49617E-05 3032 0.182E-02 0.327E-02 RMM: 9 -0.324276690471E+03 0.40007E-05 -0.16201E-05 2492 0.119E-02 4138 T= 6902. E= 0.67528126E+03 F= 0.63199230E+03 E0= 0.66062034E+03 EK= 0.56207E+02 SP= -.13E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324621249648E+03 -0.34456E+00 -0.11047E-01 7344 0.251E+01 0.279E-01 RMM: 2 -0.324639237397E+03 -0.17988E-01 -0.10171E-01 4987 0.792E-01 0.123E+00 RMM: 3 -0.324629082222E+03 0.10155E-01 -0.11975E-02 5469 0.235E-01 0.242E-01 RMM: 4 -0.324628821677E+03 0.26055E-03 -0.14275E-03 4791 0.858E-02 0.182E-01 RMM: 5 -0.324628697790E+03 0.12389E-03 -0.25633E-04 3879 0.399E-02 0.133E-01 RMM: 6 -0.324628580613E+03 0.11718E-03 -0.69543E-05 3475 0.244E-02 0.291E-02 RMM: 7 -0.324628589214E+03 -0.86006E-05 -0.23203E-05 2557 0.143E-02 4139 T= 7011. E= 0.67527732E+03 F= 0.63164040E+03 E0= 0.66024242E+03 EK= 0.57091E+02 SP= -.14E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324965504208E+03 -0.33692E+00 -0.11492E-01 7384 0.252E+01 0.176E-01 RMM: 2 -0.324978733657E+03 -0.13229E-01 -0.10208E-01 4981 0.772E-01 0.810E-01 RMM: 3 -0.324974329528E+03 0.44041E-02 -0.11862E-02 5846 0.206E-01 0.153E-01 RMM: 4 -0.324974041804E+03 0.28772E-03 -0.62602E-04 4850 0.546E-02 0.828E-02 RMM: 5 -0.324973993655E+03 0.48149E-04 -0.89404E-05 3800 0.250E-02 0.636E-02 RMM: 6 -0.324973976126E+03 0.17529E-04 -0.22318E-05 2542 0.140E-02 4140 T= 7117. E= 0.67527365E+03 F= 0.63129501E+03 E0= 0.65987046E+03 EK= 0.57956E+02 SP= -.14E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325241489504E+03 -0.26750E+00 -0.11888E-01 7440 0.254E+01 0.227E-01 RMM: 2 -0.325259960004E+03 -0.18471E-01 -0.10233E-01 4935 0.775E-01 0.119E+00 RMM: 3 -0.325249993431E+03 0.99666E-02 -0.12389E-02 5461 0.241E-01 0.185E-01 RMM: 4 -0.325249749686E+03 0.24374E-03 -0.10392E-03 5074 0.613E-02 0.859E-02 RMM: 5 -0.325249695918E+03 0.53769E-04 -0.10399E-04 3905 0.276E-02 0.719E-02 RMM: 6 -0.325249673646E+03 0.22271E-04 -0.26720E-05 2570 0.154E-02 0.569E-02 RMM: 7 -0.325249683782E+03 -0.10136E-04 -0.42825E-05 3061 0.186E-02 4141 T= 7212. E= 0.67526971E+03 F= 0.63101931E+03 E0= 0.65956785E+03 EK= 0.58733E+02 SP= -.15E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325388715092E+03 -0.13904E+00 -0.12025E-01 7472 0.255E+01 0.251E-01 RMM: 2 -0.325408541851E+03 -0.19827E-01 -0.11806E-01 4821 0.844E-01 0.120E+00 RMM: 3 -0.325398518091E+03 0.10024E-01 -0.14456E-02 5515 0.255E-01 0.253E-01 RMM: 4 -0.325398080114E+03 0.43798E-03 -0.13695E-03 4841 0.812E-02 0.131E-01 RMM: 5 -0.325398050722E+03 0.29393E-04 -0.22624E-04 3886 0.383E-02 0.116E-01 RMM: 6 -0.325397957302E+03 0.93420E-04 -0.62640E-05 3362 0.228E-02 0.292E-02 RMM: 7 -0.325397960777E+03 -0.34758E-05 -0.18226E-05 2522 0.129E-02 4142 T= 7289. E= 0.67526645E+03 F= 0.63087103E+03 E0= 0.65939267E+03 EK= 0.59358E+02 SP= -.15E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325360516593E+03 0.37441E-01 -0.12469E-01 7480 0.256E+01 0.215E-01 RMM: 2 -0.325378182578E+03 -0.17666E-01 -0.12503E-01 4893 0.847E-01 0.101E+00 RMM: 3 -0.325371108684E+03 0.70739E-02 -0.14841E-02 5696 0.241E-01 0.170E-01 RMM: 4 -0.325370776550E+03 0.33213E-03 -0.91712E-04 5013 0.621E-02 0.899E-02 RMM: 5 -0.325370726122E+03 0.50428E-04 -0.11780E-04 3894 0.287E-02 0.764E-02 RMM: 6 -0.325370692406E+03 0.33716E-04 -0.31477E-05 2699 0.168E-02 0.484E-02 RMM: 7 -0.325370690061E+03 0.23447E-05 -0.33840E-05 2662 0.167E-02 4143 T= 7341. E= 0.67526392E+03 F= 0.63089830E+03 E0= 0.65939184E+03 EK= 0.59779E+02 SP= -.16E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325122074977E+03 0.24862E+00 -0.13038E-01 7600 0.257E+01 0.186E-01 RMM: 2 -0.325139191808E+03 -0.17117E-01 -0.12577E-01 4793 0.851E-01 0.921E-01 RMM: 3 -0.325133112097E+03 0.60797E-02 -0.14918E-02 5785 0.232E-01 0.194E-01 RMM: 4 -0.325132689826E+03 0.42227E-03 -0.83905E-04 4783 0.660E-02 0.792E-02 RMM: 5 -0.325132663266E+03 0.26559E-04 -0.11914E-04 3838 0.288E-02 0.669E-02 RMM: 6 -0.325132638376E+03 0.24890E-04 -0.26690E-05 2588 0.155E-02 0.377E-02 RMM: 7 -0.325132642072E+03 -0.36958E-05 -0.20763E-05 2518 0.144E-02 4144 T= 7363. E= 0.67526333E+03 F= 0.63113635E+03 E0= 0.65960181E+03 EK= 0.59957E+02 SP= -.16E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324658501935E+03 0.47414E+00 -0.13443E-01 7480 0.257E+01 0.194E-01 RMM: 2 -0.324674424339E+03 -0.15922E-01 -0.12762E-01 4804 0.859E-01 0.832E-01 RMM: 3 -0.324669592625E+03 0.48317E-02 -0.15408E-02 5877 0.235E-01 0.178E-01 RMM: 4 -0.324669198178E+03 0.39445E-03 -0.81276E-04 4859 0.653E-02 0.953E-02 RMM: 5 -0.324669157349E+03 0.40829E-04 -0.12590E-04 3834 0.294E-02 0.823E-02 RMM: 6 -0.324669113856E+03 0.43493E-04 -0.35277E-05 2868 0.181E-02 0.365E-02 RMM: 7 -0.324669113402E+03 0.45352E-06 -0.20140E-05 2512 0.139E-02 4145 T= 7352. E= 0.67526466E+03 F= 0.63159988E+03 E0= 0.66003664E+03 EK= 0.59874E+02 SP= -.16E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323977055784E+03 0.69206E+00 -0.13429E-01 7472 0.256E+01 0.205E-01 RMM: 2 -0.323994741255E+03 -0.17685E-01 -0.12304E-01 4778 0.846E-01 0.100E+00 RMM: 3 -0.323987747309E+03 0.69939E-02 -0.15171E-02 5774 0.241E-01 0.195E-01 RMM: 4 -0.323987328648E+03 0.41866E-03 -0.87432E-04 4807 0.657E-02 0.856E-02 RMM: 5 -0.323987303011E+03 0.25637E-04 -0.12805E-04 3869 0.300E-02 0.750E-02 RMM: 6 -0.323987270261E+03 0.32750E-04 -0.29345E-05 2637 0.161E-02 0.409E-02 RMM: 7 -0.323987276569E+03 -0.63080E-05 -0.22214E-05 2536 0.147E-02 4146 T= 7311. E= 0.67526754E+03 F= 0.63228171E+03 E0= 0.66068974E+03 EK= 0.59536E+02 SP= -.17E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323106330289E+03 0.88094E+00 -0.13714E-01 7488 0.255E+01 0.193E-01 RMM: 2 -0.323122246935E+03 -0.15917E-01 -0.12802E-01 4752 0.864E-01 0.823E-01 RMM: 3 -0.323117552719E+03 0.46942E-02 -0.15853E-02 5873 0.240E-01 0.179E-01 RMM: 4 -0.323117152228E+03 0.40049E-03 -0.83006E-04 4883 0.656E-02 0.979E-02 RMM: 5 -0.323117120273E+03 0.31955E-04 -0.13229E-04 3833 0.313E-02 0.817E-02 RMM: 6 -0.323117077140E+03 0.43133E-04 -0.36611E-05 2926 0.184E-02 0.354E-02 RMM: 7 -0.323117078662E+03 -0.15214E-05 -0.20255E-05 2506 0.144E-02 4147 T= 7242. E= 0.67527251E+03 F= 0.63315191E+03 E0= 0.66153127E+03 EK= 0.58975E+02 SP= -.17E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322100570773E+03 0.10165E+01 -0.13955E-01 7528 0.254E+01 0.185E-01 RMM: 2 -0.322117135369E+03 -0.16565E-01 -0.13069E-01 4755 0.866E-01 0.842E-01 RMM: 3 -0.322112105208E+03 0.50302E-02 -0.15893E-02 5941 0.235E-01 0.158E-01 RMM: 4 -0.322111732176E+03 0.37303E-03 -0.76629E-04 4755 0.652E-02 0.105E-01 RMM: 5 -0.322111682654E+03 0.49522E-04 -0.11760E-04 3731 0.304E-02 0.747E-02 RMM: 6 -0.322111649387E+03 0.33267E-04 -0.30493E-05 2708 0.169E-02 0.380E-02 RMM: 7 -0.322111655000E+03 -0.56131E-05 -0.20904E-05 2539 0.139E-02 4148 T= 7152. E= 0.67527845E+03 F= 0.63415733E+03 E0= 0.66250850E+03 EK= 0.58245E+02 SP= -.17E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321027921537E+03 0.10837E+01 -0.13801E-01 7520 0.251E+01 0.179E-01 RMM: 2 -0.321043395768E+03 -0.15474E-01 -0.12861E-01 4734 0.859E-01 0.770E-01 RMM: 3 -0.321039300631E+03 0.40951E-02 -0.15779E-02 6037 0.234E-01 0.175E-01 RMM: 4 -0.321038872037E+03 0.42859E-03 -0.73793E-04 4786 0.648E-02 0.949E-02 RMM: 5 -0.321038830024E+03 0.42013E-04 -0.11096E-04 3729 0.296E-02 0.680E-02 RMM: 6 -0.321038805303E+03 0.24721E-04 -0.28697E-05 2642 0.165E-02 0.383E-02 RMM: 7 -0.321038808499E+03 -0.31953E-05 -0.18890E-05 2514 0.135E-02 4149 T= 7051. E= 0.67528493E+03 F= 0.63523018E+03 E0= 0.66355458E+03 EK= 0.57417E+02 SP= -.17E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319961150746E+03 0.10777E+01 -0.14190E-01 7584 0.249E+01 0.177E-01 RMM: 2 -0.319978532548E+03 -0.17382E-01 -0.14034E-01 4715 0.889E-01 0.826E-01 RMM: 3 -0.319973597341E+03 0.49352E-02 -0.16888E-02 5995 0.240E-01 0.144E-01 RMM: 4 -0.319973227540E+03 0.36980E-03 -0.75000E-04 4802 0.646E-02 0.106E-01 RMM: 5 -0.319973171218E+03 0.56322E-04 -0.11511E-04 3724 0.300E-02 0.729E-02 RMM: 6 -0.319973141831E+03 0.29387E-04 -0.30816E-05 2702 0.170E-02 0.379E-02 RMM: 7 -0.319973145747E+03 -0.39161E-05 -0.18888E-05 2534 0.131E-02 4150 T= 6947. E= 0.67529100E+03 F= 0.63629584E+03 E0= 0.66459628E+03 EK= 0.56570E+02 SP= -.18E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318975388823E+03 0.99775E+00 -0.13442E-01 7736 0.246E+01 0.184E-01 RMM: 2 -0.318991150652E+03 -0.15762E-01 -0.12733E-01 4735 0.843E-01 0.804E-01 RMM: 3 -0.318986475851E+03 0.46748E-02 -0.15164E-02 5892 0.238E-01 0.171E-01 RMM: 4 -0.318986108560E+03 0.36729E-03 -0.76583E-04 4854 0.627E-02 0.100E-01 RMM: 5 -0.318986065024E+03 0.43537E-04 -0.11854E-04 3737 0.306E-02 0.745E-02 RMM: 6 -0.318986031560E+03 0.33464E-04 -0.30900E-05 2699 0.169E-02 0.379E-02 RMM: 7 -0.318986033819E+03 -0.22589E-05 -0.20154E-05 2528 0.139E-02 4151 T= 6850. E= 0.67529639E+03 F= 0.63728296E+03 E0= 0.66556349E+03 EK= 0.55779E+02 SP= -.18E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318129670919E+03 0.85636E+00 -0.13163E-01 7752 0.243E+01 0.196E-01 RMM: 2 -0.318147059332E+03 -0.17388E-01 -0.12896E-01 4739 0.852E-01 0.935E-01 RMM: 3 -0.318140829678E+03 0.62297E-02 -0.15496E-02 5865 0.242E-01 0.163E-01 RMM: 4 -0.318140470694E+03 0.35898E-03 -0.81891E-04 4861 0.637E-02 0.983E-02 RMM: 5 -0.318140425081E+03 0.45613E-04 -0.12127E-04 3781 0.298E-02 0.745E-02 RMM: 6 -0.318140393408E+03 0.31673E-04 -0.31836E-05 2743 0.171E-02 0.395E-02 RMM: 7 -0.318140397292E+03 -0.38841E-05 -0.19912E-05 2543 0.137E-02 4152 T= 6768. E= 0.67530086E+03 F= 0.63812859E+03 E0= 0.66639478E+03 EK= 0.55113E+02 SP= -.18E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317475324251E+03 0.66507E+00 -0.13062E-01 7848 0.241E+01 0.189E-01 RMM: 2 -0.317491111231E+03 -0.15787E-01 -0.12307E-01 4780 0.826E-01 0.841E-01 RMM: 3 -0.317486065098E+03 0.50461E-02 -0.14552E-02 5833 0.234E-01 0.186E-01 RMM: 4 -0.317485668609E+03 0.39649E-03 -0.78252E-04 4827 0.624E-02 0.950E-02 RMM: 5 -0.317485626983E+03 0.41625E-04 -0.11987E-04 3741 0.298E-02 0.749E-02 RMM: 6 -0.317485593310E+03 0.33673E-04 -0.29409E-05 2683 0.165E-02 0.380E-02 RMM: 7 -0.317485594460E+03 -0.11501E-05 -0.20373E-05 2521 0.141E-02 4153 T= 6708. E= 0.67530414E+03 F= 0.63878339E+03 E0= 0.66704145E+03 EK= 0.54624E+02 SP= -.18E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317043095995E+03 0.44250E+00 -0.12528E-01 7840 0.240E+01 0.206E-01 RMM: 2 -0.317060904823E+03 -0.17809E-01 -0.12358E-01 4819 0.832E-01 0.101E+00 RMM: 3 -0.317053657828E+03 0.72470E-02 -0.14358E-02 5811 0.236E-01 0.182E-01 RMM: 4 -0.317053271706E+03 0.38612E-03 -0.83362E-04 4817 0.643E-02 0.911E-02 RMM: 5 -0.317053236467E+03 0.35239E-04 -0.12321E-04 3798 0.290E-02 0.781E-02 RMM: 6 -0.317053200774E+03 0.35693E-04 -0.31561E-05 2783 0.170E-02 0.400E-02 RMM: 7 -0.317053204385E+03 -0.36108E-05 -0.19571E-05 2535 0.135E-02 4154 T= 6674. E= 0.67530547E+03 F= 0.63921578E+03 E0= 0.66747234E+03 EK= 0.54345E+02 SP= -.18E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316839005788E+03 0.21419E+00 -0.12262E-01 7912 0.239E+01 0.185E-01 RMM: 2 -0.316853667697E+03 -0.14662E-01 -0.11584E-01 4895 0.797E-01 0.813E-01 RMM: 3 -0.316848998634E+03 0.46691E-02 -0.13264E-02 5866 0.221E-01 0.163E-01 RMM: 4 -0.316848682305E+03 0.31633E-03 -0.68757E-04 4866 0.580E-02 0.102E-01 RMM: 5 -0.316848622993E+03 0.59312E-04 -0.10645E-04 3699 0.276E-02 0.697E-02 RMM: 6 -0.316848595090E+03 0.27904E-04 -0.27129E-05 2611 0.158E-02 0.390E-02 RMM: 7 -0.316848594561E+03 0.52882E-06 -0.26007E-05 2542 0.158E-02 4155 T= 6666. E= 0.67530463E+03 F= 0.63942039E+03 E0= 0.66768160E+03 EK= 0.54285E+02 SP= -.18E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316840646142E+03 0.79489E-02 -0.12103E-01 7736 0.239E+01 0.177E-01 RMM: 2 -0.316855292367E+03 -0.14646E-01 -0.11702E-01 4881 0.806E-01 0.806E-01 RMM: 3 -0.316850779497E+03 0.45129E-02 -0.13313E-02 5950 0.217E-01 0.175E-01 RMM: 4 -0.316850400730E+03 0.37877E-03 -0.67691E-04 4750 0.606E-02 0.906E-02 RMM: 5 -0.316850350903E+03 0.49828E-04 -0.10594E-04 3708 0.268E-02 0.691E-02 RMM: 6 -0.316850325284E+03 0.25618E-04 -0.26954E-05 2611 0.158E-02 0.413E-02 RMM: 7 -0.316850325178E+03 0.10569E-06 -0.26614E-05 2545 0.159E-02 4156 T= 6683. E= 0.67530147E+03 F= 0.63941866E+03 E0= 0.66769054E+03 EK= 0.54423E+02 SP= -.19E+02 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317000674958E+03 -0.15035E+00 -0.11698E-01 7840 0.240E+01 0.189E-01 RMM: 2 -0.317014879392E+03 -0.14204E-01 -0.11266E-01 4992 0.795E-01 0.815E-01 RMM: 3 -0.317010341267E+03 0.45381E-02 -0.12669E-02 5934 0.210E-01 0.157E-01 RMM: 4 -0.317010015751E+03 0.32552E-03 -0.65317E-04 4797 0.591E-02 0.107E-01 RMM: 5 -0.317009942335E+03 0.73416E-04 -0.10439E-04 3724 0.268E-02 0.645E-02 RMM: 6 -0.317009921321E+03 0.21014E-04 -0.24798E-05 2566 0.151E-02 0.397E-02 RMM: 7 -0.317009921012E+03 0.30862E-06 -0.19638E-05 2516 0.135E-02 4157 T= 6718. E= 0.67529753E+03 F= 0.63925907E+03 E0= 0.66754627E+03 EK= 0.54711E+02 SP= -.19E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317252927285E+03 -0.24301E+00 -0.11741E-01 7856 0.241E+01 0.201E-01 RMM: 2 -0.317267895569E+03 -0.14968E-01 -0.11514E-01 5051 0.800E-01 0.872E-01 RMM: 3 -0.317262648952E+03 0.52466E-02 -0.12356E-02 5862 0.214E-01 0.196E-01 RMM: 4 -0.317262237157E+03 0.41179E-03 -0.77241E-04 4781 0.624E-02 0.948E-02 RMM: 5 -0.317262188902E+03 0.48255E-04 -0.12441E-04 3820 0.276E-02 0.781E-02 RMM: 6 -0.317262153063E+03 0.35838E-04 -0.28749E-05 2696 0.165E-02 0.399E-02 RMM: 7 -0.317262151770E+03 0.12929E-05 -0.18269E-05 2505 0.131E-02 4158 T= 6764. E= 0.67529382E+03 F= 0.63900684E+03 E0= 0.66731317E+03 EK= 0.55084E+02 SP= -.19E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317530612622E+03 -0.26846E+00 -0.12534E-01 7872 0.243E+01 0.212E-01 RMM: 2 -0.317547675599E+03 -0.17063E-01 -0.12647E-01 5040 0.842E-01 0.965E-01 RMM: 3 -0.317541330076E+03 0.63455E-02 -0.13920E-02 5887 0.225E-01 0.192E-01 RMM: 4 -0.317540911477E+03 0.41860E-03 -0.82865E-04 4822 0.651E-02 0.105E-01 RMM: 5 -0.317540847059E+03 0.64418E-04 -0.13058E-04 3869 0.288E-02 0.755E-02 RMM: 6 -0.317540816687E+03 0.30372E-04 -0.29325E-05 2718 0.163E-02 0.426E-02 RMM: 7 -0.317540816488E+03 0.19918E-06 -0.21817E-05 2524 0.141E-02 4159 T= 6812. E= 0.67529093E+03 F= 0.63872817E+03 E0= 0.66705588E+03 EK= 0.55475E+02 SP= -.19E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317785271569E+03 -0.24445E+00 -0.12422E-01 7864 0.244E+01 0.232E-01 RMM: 2 -0.317802452936E+03 -0.17181E-01 -0.12415E-01 5089 0.837E-01 0.999E-01 RMM: 3 -0.317795616328E+03 0.68366E-02 -0.13627E-02 5747 0.233E-01 0.209E-01 RMM: 4 -0.317795211255E+03 0.40507E-03 -0.97547E-04 4763 0.676E-02 0.114E-01 RMM: 5 -0.317795147094E+03 0.64161E-04 -0.15483E-04 3887 0.303E-02 0.945E-02 RMM: 6 -0.317795090391E+03 0.56703E-04 -0.38604E-05 2982 0.190E-02 0.407E-02 RMM: 7 -0.317795088607E+03 0.17840E-05 -0.18688E-05 2507 0.133E-02 4160 T= 6856. E= 0.67528950E+03 F= 0.63847390E+03 E0= 0.66682337E+03 EK= 0.55831E+02 SP= -.19E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317988305284E+03 -0.19321E+00 -0.12189E-01 7880 0.245E+01 0.236E-01 RMM: 2 -0.318006496318E+03 -0.18191E-01 -0.11507E-01 5189 0.808E-01 0.114E+00 RMM: 3 -0.317997671541E+03 0.88248E-02 -0.12081E-02 5769 0.224E-01 0.219E-01 RMM: 4 -0.317997239450E+03 0.43209E-03 -0.93476E-04 4731 0.678E-02 0.102E-01 RMM: 5 -0.317997181495E+03 0.57955E-04 -0.13604E-04 3867 0.292E-02 0.802E-02 RMM: 6 -0.317997146906E+03 0.34589E-04 -0.28582E-05 2705 0.163E-02 0.450E-02 RMM: 7 -0.317997147335E+03 -0.42852E-06 -0.21954E-05 2527 0.141E-02 4161 T= 6892. E= 0.67528960E+03 F= 0.63827184E+03 E0= 0.66664136E+03 EK= 0.56122E+02 SP= -.19E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318132743524E+03 -0.13560E+00 -0.12300E-01 7864 0.245E+01 0.205E-01 RMM: 2 -0.318147517988E+03 -0.14774E-01 -0.11047E-01 5179 0.781E-01 0.897E-01 RMM: 3 -0.318141876830E+03 0.56412E-02 -0.11177E-02 5806 0.212E-01 0.171E-01 RMM: 4 -0.318141644574E+03 0.23226E-03 -0.74489E-04 4707 0.600E-02 0.126E-01 RMM: 5 -0.318141546469E+03 0.98105E-04 -0.12071E-04 3767 0.279E-02 0.823E-02 RMM: 6 -0.318141505149E+03 0.41320E-04 -0.31829E-05 2827 0.175E-02 0.406E-02 RMM: 7 -0.318141502576E+03 0.25729E-05 -0.21080E-05 2512 0.141E-02 4162 T= 6919. E= 0.67529073E+03 F= 0.63812749E+03 E0= 0.66651365E+03 EK= 0.56341E+02 SP= -.19E+02 SK= 0.76E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318226277872E+03 -0.84773E-01 -0.12258E-01 7896 0.246E+01 0.218E-01 RMM: 2 -0.318243479779E+03 -0.17202E-01 -0.11714E-01 5094 0.821E-01 0.104E+00 RMM: 3 -0.318236012965E+03 0.74668E-02 -0.12489E-02 5828 0.225E-01 0.203E-01 RMM: 4 -0.318235611481E+03 0.40148E-03 -0.83651E-04 4752 0.655E-02 0.101E-01 RMM: 5 -0.318235552231E+03 0.59250E-04 -0.12560E-04 3838 0.291E-02 0.776E-02 RMM: 6 -0.318235519391E+03 0.32840E-04 -0.28327E-05 2687 0.162E-02 0.446E-02 RMM: 7 -0.318235518232E+03 0.11584E-05 -0.21443E-05 2522 0.139E-02 4163 T= 6937. E= 0.67529108E+03 F= 0.63803347E+03 E0= 0.66643084E+03 EK= 0.56493E+02 SP= -.19E+02 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318274108700E+03 -0.38589E-01 -0.12433E-01 8080 0.246E+01 0.189E-01 RMM: 2 -0.318289115910E+03 -0.15007E-01 -0.10990E-01 5013 0.787E-01 0.896E-01 RMM: 3 -0.318283331589E+03 0.57843E-02 -0.11606E-02 5807 0.222E-01 0.164E-01 RMM: 4 -0.318283106813E+03 0.22478E-03 -0.67816E-04 4740 0.579E-02 0.104E-01 RMM: 5 -0.318283037126E+03 0.69687E-04 -0.10026E-04 3667 0.274E-02 0.711E-02 RMM: 6 -0.318283010382E+03 0.26744E-04 -0.27279E-05 2611 0.159E-02 0.426E-02 RMM: 7 -0.318283009921E+03 0.46034E-06 -0.20986E-05 2529 0.138E-02 4164 T= 6948. E= 0.67529068E+03 F= 0.63798598E+03 E0= 0.66638919E+03 EK= 0.56579E+02 SP= -.19E+02 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318270076376E+03 0.12934E-01 -0.12563E-01 7968 0.246E+01 0.184E-01 RMM: 2 -0.318284339524E+03 -0.14263E-01 -0.11343E-01 4987 0.806E-01 0.797E-01 RMM: 3 -0.318279661205E+03 0.46783E-02 -0.12232E-02 5884 0.223E-01 0.154E-01 RMM: 4 -0.318279419160E+03 0.24204E-03 -0.64819E-04 4800 0.580E-02 0.110E-01 RMM: 5 -0.318279348560E+03 0.70600E-04 -0.10272E-04 3693 0.290E-02 0.736E-02 RMM: 6 -0.318279317572E+03 0.30988E-04 -0.29353E-05 2693 0.165E-02 0.424E-02 RMM: 7 -0.318279314982E+03 0.25900E-05 -0.20735E-05 2519 0.139E-02 4165 T= 6950. E= 0.67528977E+03 F= 0.63798967E+03 E0= 0.66639320E+03 EK= 0.56595E+02 SP= -.19E+02 SK= 0.24E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.318200764467E+03 0.78553E-01 -0.12384E-01 7936 0.246E+01 0.192E-01 RMM: 2 -0.318216053169E+03 -0.15289E-01 -0.11524E-01 4880 0.824E-01 0.874E-01 RMM: 3 -0.318210612568E+03 0.54406E-02 -0.13397E-02 5814 0.237E-01 0.184E-01 RMM: 4 -0.318210280935E+03 0.33163E-03 -0.73556E-04 4840 0.609E-02 0.912E-02 RMM: 5 -0.318210236002E+03 0.44934E-04 -0.10691E-04 3722 0.291E-02 0.753E-02 RMM: 6 -0.318210204171E+03 0.31831E-04 -0.28385E-05 2617 0.162E-02 0.437E-02 RMM: 7 -0.318210203201E+03 0.97025E-06 -0.20893E-05 2527 0.139E-02 4166 T= 6941. E= 0.67528839E+03 F= 0.63805879E+03 E0= 0.66645855E+03 EK= 0.56527E+02 SP= -.19E+02 SK= 0.75E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.318046834117E+03 0.16337E+00 -0.12112E-01 7904 0.246E+01 0.188E-01 RMM: 2 -0.318060485545E+03 -0.13651E-01 -0.10381E-01 4945 0.770E-01 0.815E-01 RMM: 3 -0.318055496270E+03 0.49893E-02 -0.11568E-02 5687 0.226E-01 0.167E-01 RMM: 4 -0.318055271017E+03 0.22525E-03 -0.68307E-04 4834 0.571E-02 0.960E-02 RMM: 5 -0.318055222659E+03 0.48358E-04 -0.97325E-05 3655 0.279E-02 0.786E-02 RMM: 6 -0.318055186185E+03 0.36475E-04 -0.29806E-05 2682 0.169E-02 0.407E-02 RMM: 7 -0.318055183889E+03 0.22955E-05 -0.21999E-05 2520 0.144E-02 4167 T= 6920. E= 0.67528784E+03 F= 0.63821381E+03 E0= 0.66660735E+03 EK= 0.56356E+02 SP= -.19E+02 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317795721380E+03 0.25946E+00 -0.11852E-01 7848 0.246E+01 0.184E-01 RMM: 2 -0.317809269888E+03 -0.13549E-01 -0.10041E-01 4945 0.751E-01 0.833E-01 RMM: 3 -0.317804129236E+03 0.51407E-02 -0.10897E-02 5680 0.218E-01 0.183E-01 RMM: 4 -0.317803862245E+03 0.26699E-03 -0.68375E-04 4673 0.588E-02 0.945E-02 RMM: 5 -0.317803813348E+03 0.48897E-04 -0.10249E-04 3674 0.281E-02 0.768E-02 RMM: 6 -0.317803778655E+03 0.34693E-04 -0.28212E-05 2645 0.164E-02 0.403E-02 RMM: 7 -0.317803779033E+03 -0.37727E-06 -0.19030E-05 2519 0.135E-02 4168 T= 6886. E= 0.67528832E+03 F= 0.63846521E+03 E0= 0.66685208E+03 EK= 0.56073E+02 SP= -.19E+02 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317455854105E+03 0.34792E+00 -0.11655E-01 7640 0.246E+01 0.180E-01 RMM: 2 -0.317467908715E+03 -0.12055E-01 -0.93650E-02 5084 0.719E-01 0.754E-01 RMM: 3 -0.317463514256E+03 0.43945E-02 -0.97490E-03 5713 0.204E-01 0.151E-01 RMM: 4 -0.317463347977E+03 0.16628E-03 -0.58379E-04 4712 0.533E-02 0.101E-01 RMM: 5 -0.317463281058E+03 0.66920E-04 -0.81795E-05 3552 0.249E-02 0.693E-02 RMM: 6 -0.317463255098E+03 0.25960E-04 -0.26014E-05 2589 0.159E-02 0.391E-02 RMM: 7 -0.317463253829E+03 0.12690E-05 -0.21750E-05 2525 0.142E-02 4169 T= 6838. E= 0.67529074E+03 F= 0.63880574E+03 E0= 0.66718767E+03 EK= 0.55687E+02 SP= -.19E+02 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317056466150E+03 0.40679E+00 -0.11712E-01 7728 0.245E+01 0.176E-01 RMM: 2 -0.317069269830E+03 -0.12804E-01 -0.95751E-02 4934 0.733E-01 0.807E-01 RMM: 3 -0.317064519882E+03 0.47499E-02 -0.10415E-02 5655 0.209E-01 0.168E-01 RMM: 4 -0.317064307177E+03 0.21271E-03 -0.65363E-04 4657 0.580E-02 0.101E-01 RMM: 5 -0.317064241898E+03 0.65278E-04 -0.10348E-04 3675 0.275E-02 0.715E-02 RMM: 6 -0.317064212411E+03 0.29488E-04 -0.27854E-05 2664 0.162E-02 0.388E-02 RMM: 7 -0.317064213170E+03 -0.75926E-06 -0.20310E-05 2510 0.140E-02 4170 T= 6782. E= 0.67529430E+03 F= 0.63920478E+03 E0= 0.66758591E+03 EK= 0.55230E+02 SP= -.19E+02 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316649991752E+03 0.41422E+00 -0.11796E-01 7592 0.244E+01 0.183E-01 RMM: 2 -0.316663338355E+03 -0.13347E-01 -0.10561E-01 4933 0.772E-01 0.774E-01 RMM: 3 -0.316659025681E+03 0.43127E-02 -0.12245E-02 5808 0.211E-01 0.163E-01 RMM: 4 -0.316658753570E+03 0.27211E-03 -0.65347E-04 4763 0.569E-02 0.979E-02 RMM: 5 -0.316658693467E+03 0.60103E-04 -0.98735E-05 3732 0.267E-02 0.707E-02 RMM: 6 -0.316658664867E+03 0.28600E-04 -0.28843E-05 2661 0.165E-02 0.378E-02 RMM: 7 -0.316658661962E+03 0.29056E-05 -0.26371E-05 2529 0.157E-02 4171 T= 6724. E= 0.67529877E+03 F= 0.63961033E+03 E0= 0.66799605E+03 EK= 0.54757E+02 SP= -.19E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316305283734E+03 0.35338E+00 -0.12068E-01 7536 0.242E+01 0.163E-01 RMM: 2 -0.316317458095E+03 -0.12174E-01 -0.10649E-01 4896 0.787E-01 0.649E-01 RMM: 3 -0.316314519497E+03 0.29386E-02 -0.12169E-02 5952 0.200E-01 0.131E-01 RMM: 4 -0.316314282389E+03 0.23711E-03 -0.59129E-04 4642 0.581E-02 0.107E-01 RMM: 5 -0.316314205629E+03 0.76760E-04 -0.91199E-05 3584 0.266E-02 0.643E-02 RMM: 6 -0.316314183925E+03 0.21704E-04 -0.25962E-05 2572 0.155E-02 0.370E-02 RMM: 7 -0.316314182135E+03 0.17900E-05 -0.23995E-05 2513 0.150E-02 4172 T= 6673. E= 0.67530343E+03 F= 0.63995481E+03 E0= 0.66835215E+03 EK= 0.54337E+02 SP= -.19E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316095405391E+03 0.21878E+00 -0.11756E-01 7520 0.242E+01 0.176E-01 RMM: 2 -0.316106159765E+03 -0.10754E-01 -0.87651E-02 4988 0.717E-01 0.711E-01 RMM: 3 -0.316102712141E+03 0.34476E-02 -0.98899E-03 5848 0.189E-01 0.147E-01 RMM: 4 -0.316102473907E+03 0.23823E-03 -0.52448E-04 4612 0.524E-02 0.101E-01 RMM: 5 -0.316102404424E+03 0.69483E-04 -0.82092E-05 3586 0.256E-02 0.612E-02 RMM: 6 -0.316102386003E+03 0.18421E-04 -0.24603E-05 2560 0.150E-02 4173 T= 6636. E= 0.67530727E+03 F= 0.64016660E+03 E0= 0.66858318E+03 EK= 0.54043E+02 SP= -.19E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316078378009E+03 0.24026E-01 -0.11655E-01 7584 0.241E+01 0.186E-01 RMM: 2 -0.316091298308E+03 -0.12920E-01 -0.71839E-02 5139 0.648E-01 0.101E+00 RMM: 3 -0.316084241681E+03 0.70566E-02 -0.75701E-03 5480 0.186E-01 0.185E-01 RMM: 4 -0.316083994373E+03 0.24731E-03 -0.60404E-04 4643 0.522E-02 0.726E-02 RMM: 5 -0.316083956360E+03 0.38013E-04 -0.75706E-05 3623 0.234E-02 0.636E-02 RMM: 6 -0.316083938885E+03 0.17475E-04 -0.22159E-05 2559 0.139E-02 4174 T= 6623. E= 0.67531051E+03 F= 0.64018505E+03 E0= 0.66862822E+03 EK= 0.53936E+02 SP= -.19E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316296987783E+03 -0.21303E+00 -0.11656E-01 7432 0.242E+01 0.289E-01 RMM: 2 -0.316321407847E+03 -0.24420E-01 -0.75614E-02 5140 0.690E-01 0.164E+00 RMM: 3 -0.316302530888E+03 0.18877E-01 -0.10899E-02 5354 0.255E-01 0.285E-01 RMM: 4 -0.316301939990E+03 0.59090E-03 -0.12537E-03 4672 0.741E-02 0.811E-02 RMM: 5 -0.316301924060E+03 0.15931E-04 -0.14929E-04 3881 0.305E-02 4175 T= 6639. E= 0.67531296E+03 F= 0.63996707E+03 E0= 0.66844353E+03 EK= 0.54061E+02 SP= -.19E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316770118517E+03 -0.46818E+00 -0.11807E-01 7552 0.243E+01 0.250E-01 RMM: 2 -0.316788779172E+03 -0.18661E-01 -0.76465E-02 5267 0.672E-01 0.135E+00 RMM: 3 -0.316776209194E+03 0.12570E-01 -0.92622E-03 5354 0.226E-01 0.319E-01 RMM: 4 -0.316775525887E+03 0.68331E-03 -0.11005E-03 4680 0.704E-02 0.803E-02 RMM: 5 -0.316775498777E+03 0.27110E-04 -0.13367E-04 3886 0.292E-02 0.830E-02 RMM: 6 -0.316775463143E+03 0.35633E-04 -0.27403E-05 2648 0.157E-02 0.577E-02 RMM: 7 -0.316775477486E+03 -0.14343E-04 -0.32840E-05 2785 0.169E-02 4176 T= 6684. E= 0.67531319E+03 F= 0.63949351E+03 E0= 0.66801016E+03 EK= 0.54432E+02 SP= -.19E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317493600791E+03 -0.71814E+00 -0.12193E-01 7368 0.245E+01 0.288E-01 RMM: 2 -0.317510439957E+03 -0.16839E-01 -0.76729E-02 5133 0.687E-01 0.130E+00 RMM: 3 -0.317499050443E+03 0.11390E-01 -0.10007E-02 5383 0.235E-01 0.254E-01 RMM: 4 -0.317498691635E+03 0.35881E-03 -0.11598E-03 4639 0.715E-02 0.139E-01 RMM: 5 -0.317498681883E+03 0.97528E-05 -0.21560E-04 3883 0.373E-02 0.138E-01 RMM: 6 -0.317498557936E+03 0.12395E-03 -0.80964E-05 3522 0.263E-02 0.248E-02 RMM: 7 -0.317498562722E+03 -0.47865E-05 -0.16846E-05 2516 0.126E-02 4177 T= 6759. E= 0.67531087E+03 F= 0.63877043E+03 E0= 0.66733109E+03 EK= 0.55043E+02 SP= -.19E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318432392277E+03 -0.93383E+00 -0.12487E-01 7624 0.248E+01 0.188E-01 RMM: 2 -0.318444447938E+03 -0.12056E-01 -0.85857E-02 5216 0.701E-01 0.857E-01 RMM: 3 -0.318439404330E+03 0.50436E-02 -0.87278E-03 5712 0.191E-01 0.176E-01 RMM: 4 -0.318439158886E+03 0.24544E-03 -0.61120E-04 4730 0.532E-02 0.977E-02 RMM: 5 -0.318439089775E+03 0.69110E-04 -0.98828E-05 3717 0.258E-02 0.751E-02 RMM: 6 -0.318439057775E+03 0.32001E-04 -0.30567E-05 2856 0.166E-02 0.511E-02 RMM: 7 -0.318439049591E+03 0.81837E-05 -0.38382E-05 2644 0.173E-02 4178 T= 6859. E= 0.67530633E+03 F= 0.63782994E+03 E0= 0.66643751E+03 EK= 0.55857E+02 SP= -.18E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319528487343E+03 -0.10894E+01 -0.12775E-01 7592 0.250E+01 0.191E-01 RMM: 2 -0.319540552510E+03 -0.12065E-01 -0.88652E-02 5060 0.721E-01 0.839E-01 RMM: 3 -0.319535871009E+03 0.46815E-02 -0.10045E-02 5760 0.201E-01 0.182E-01 RMM: 4 -0.319535581735E+03 0.28927E-03 -0.66815E-04 4824 0.553E-02 0.928E-02 RMM: 5 -0.319535542393E+03 0.39342E-04 -0.10261E-04 3681 0.264E-02 0.783E-02 RMM: 6 -0.319535508702E+03 0.33692E-04 -0.28213E-05 2781 0.162E-02 0.400E-02 RMM: 7 -0.319535514129E+03 -0.54276E-05 -0.20618E-05 2533 0.138E-02 4179 T= 6976. E= 0.67529998E+03 F= 0.63673348E+03 E0= 0.66539002E+03 EK= 0.56808E+02 SP= -.18E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320693374761E+03 -0.11579E+01 -0.13301E-01 7672 0.253E+01 0.203E-01 RMM: 2 -0.320705417751E+03 -0.12043E-01 -0.93579E-02 5151 0.740E-01 0.816E-01 RMM: 3 -0.320700965849E+03 0.44519E-02 -0.10094E-02 5818 0.198E-01 0.167E-01 RMM: 4 -0.320700749472E+03 0.21638E-03 -0.68246E-04 4692 0.589E-02 0.129E-01 RMM: 5 -0.320700645973E+03 0.10350E-03 -0.12601E-04 3823 0.287E-02 0.805E-02 RMM: 6 -0.320700607412E+03 0.38561E-04 -0.31061E-05 2881 0.171E-02 0.368E-02 RMM: 7 -0.320700605900E+03 0.15115E-05 -0.17755E-05 2513 0.124E-02 4180 T= 7098. E= 0.67529240E+03 F= 0.63556838E+03 E0= 0.66427380E+03 EK= 0.57805E+02 SP= -.18E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321821657431E+03 -0.11211E+01 -0.13807E-01 7808 0.256E+01 0.178E-01 RMM: 2 -0.321834492929E+03 -0.12835E-01 -0.10411E-01 5046 0.774E-01 0.760E-01 RMM: 3 -0.321830597129E+03 0.38958E-02 -0.11498E-02 5931 0.202E-01 0.162E-01 RMM: 4 -0.321830315555E+03 0.28157E-03 -0.59423E-04 4711 0.558E-02 0.111E-01 RMM: 5 -0.321830232215E+03 0.83340E-04 -0.10582E-04 3708 0.276E-02 0.736E-02 RMM: 6 -0.321830204115E+03 0.28100E-04 -0.30437E-05 2845 0.165E-02 0.468E-02 RMM: 7 -0.321830196452E+03 0.76628E-05 -0.37996E-05 2650 0.182E-02 4181 T= 7213. E= 0.67528440E+03 F= 0.63443879E+03 E0= 0.66319217E+03 EK= 0.58738E+02 SP= -.18E+02 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322810666292E+03 -0.98046E+00 -0.14098E-01 7816 0.258E+01 0.215E-01 RMM: 2 -0.322825596177E+03 -0.14930E-01 -0.11729E-01 5071 0.828E-01 0.867E-01 RMM: 3 -0.322820439017E+03 0.51572E-02 -0.13146E-02 5853 0.220E-01 0.194E-01 RMM: 4 -0.322820061976E+03 0.37704E-03 -0.80608E-04 4785 0.641E-02 0.111E-01 RMM: 5 -0.322819992237E+03 0.69739E-04 -0.13563E-04 3859 0.301E-02 0.835E-02 RMM: 6 -0.322819951221E+03 0.41016E-04 -0.32789E-05 2888 0.175E-02 0.383E-02 RMM: 7 -0.322819950149E+03 0.10723E-05 -0.19193E-05 2515 0.133E-02 4182 T= 7306. E= 0.67527766E+03 F= 0.63344904E+03 E0= 0.66224792E+03 EK= 0.59499E+02 SP= -.18E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323573017135E+03 -0.75307E+00 -0.14570E-01 7776 0.260E+01 0.180E-01 RMM: 2 -0.323587094082E+03 -0.14077E-01 -0.11250E-01 5030 0.799E-01 0.798E-01 RMM: 3 -0.323582703072E+03 0.43910E-02 -0.12394E-02 5940 0.208E-01 0.186E-01 RMM: 4 -0.323582339826E+03 0.36325E-03 -0.65161E-04 4702 0.598E-02 0.972E-02 RMM: 5 -0.323582263778E+03 0.76048E-04 -0.10591E-04 3740 0.274E-02 0.668E-02 RMM: 6 -0.323582242218E+03 0.21560E-04 -0.26245E-05 2602 0.152E-02 0.450E-02 RMM: 7 -0.323582233794E+03 0.84236E-05 -0.26661E-05 2543 0.152E-02 4183 T= 7368. E= 0.67527296E+03 F= 0.63268676E+03 E0= 0.66152741E+03 EK= 0.59997E+02 SP= -.18E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324048593251E+03 -0.46635E+00 -0.15041E-01 7784 0.260E+01 0.185E-01 RMM: 2 -0.324064123960E+03 -0.15531E-01 -0.12961E-01 5024 0.852E-01 0.772E-01 RMM: 3 -0.324059741285E+03 0.43827E-02 -0.14133E-02 5957 0.217E-01 0.165E-01 RMM: 4 -0.324059376520E+03 0.36477E-03 -0.67798E-04 4809 0.597E-02 0.100E-01 RMM: 5 -0.324059311410E+03 0.65110E-04 -0.10704E-04 3765 0.277E-02 0.715E-02 RMM: 6 -0.324059283347E+03 0.28064E-04 -0.26585E-05 2593 0.158E-02 0.395E-02 RMM: 7 -0.324059282448E+03 0.89842E-06 -0.20746E-05 2517 0.136E-02 4184 T= 7389. E= 0.67527118E+03 F= 0.63220971E+03 E0= 0.66108693E+03 EK= 0.60174E+02 SP= -.17E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324226132294E+03 -0.16685E+00 -0.14584E-01 7816 0.259E+01 0.173E-01 RMM: 2 -0.324239735966E+03 -0.13604E-01 -0.11514E-01 4869 0.801E-01 0.719E-01 RMM: 3 -0.324236067059E+03 0.36689E-02 -0.13193E-02 5920 0.218E-01 0.156E-01 RMM: 4 -0.324235784324E+03 0.28273E-03 -0.61532E-04 4770 0.567E-02 0.105E-01 RMM: 5 -0.324235706270E+03 0.78055E-04 -0.98169E-05 3659 0.277E-02 0.653E-02 RMM: 6 -0.324235684460E+03 0.21810E-04 -0.26702E-05 2576 0.154E-02 0.403E-02 RMM: 7 -0.324235679468E+03 0.49918E-05 -0.25372E-05 2532 0.150E-02 4185 T= 7370. E= 0.67527254E+03 F= 0.63203331E+03 E0= 0.66094074E+03 EK= 0.60015E+02 SP= -.17E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324131837940E+03 0.10385E+00 -0.14508E-01 7792 0.257E+01 0.159E-01 RMM: 2 -0.324143975862E+03 -0.12138E-01 -0.10021E-01 4971 0.743E-01 0.707E-01 RMM: 3 -0.324140235951E+03 0.37399E-02 -0.10556E-02 5955 0.199E-01 0.141E-01 RMM: 4 -0.324140028647E+03 0.20730E-03 -0.49628E-04 4622 0.523E-02 0.102E-01 RMM: 5 -0.324139958088E+03 0.70558E-04 -0.80061E-05 3512 0.255E-02 0.609E-02 RMM: 6 -0.324139939819E+03 0.18269E-04 -0.25090E-05 2567 0.153E-02 4186 T= 7313. E= 0.67527733E+03 F= 0.63212905E+03 E0= 0.66105920E+03 EK= 0.59551E+02 SP= -.17E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323830474293E+03 0.30948E+00 -0.14293E-01 7704 0.255E+01 0.190E-01 RMM: 2 -0.323848581269E+03 -0.18107E-01 -0.11707E-01 4882 0.798E-01 0.106E+00 RMM: 3 -0.323840488383E+03 0.80929E-02 -0.13144E-02 5611 0.231E-01 0.183E-01 RMM: 4 -0.323840179620E+03 0.30876E-03 -0.81311E-04 4772 0.619E-02 0.804E-02 RMM: 5 -0.323840139958E+03 0.39661E-04 -0.10762E-04 3947 0.268E-02 0.630E-02 RMM: 6 -0.323840121470E+03 0.18488E-04 -0.24404E-05 2561 0.146E-02 4187 T= 7227. E= 0.67528421E+03 F= 0.63242887E+03 E0= 0.66137297E+03 EK= 0.58854E+02 SP= -.16E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323420195546E+03 0.41994E+00 -0.14033E-01 7728 0.252E+01 0.279E-01 RMM: 2 -0.323448165933E+03 -0.27970E-01 -0.10760E-01 4918 0.794E-01 0.167E+00 RMM: 3 -0.323428933147E+03 0.19233E-01 -0.14425E-02 5404 0.275E-01 0.270E-01 RMM: 4 -0.323428389476E+03 0.54367E-03 -0.14347E-03 4789 0.790E-02 0.819E-02 RMM: 5 -0.323428369906E+03 0.19570E-04 -0.17016E-04 4253 0.294E-02 4188 T= 7125. E= 0.67529274E+03 F= 0.63284062E+03 E0= 0.66178816E+03 EK= 0.58022E+02 SP= -.16E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322994963499E+03 0.43343E+00 -0.14252E-01 7704 0.250E+01 0.212E-01 RMM: 2 -0.323012758633E+03 -0.17795E-01 -0.10950E-01 5031 0.779E-01 0.109E+00 RMM: 3 -0.323004337188E+03 0.84214E-02 -0.12294E-02 5513 0.232E-01 0.270E-01 RMM: 4 -0.323003765886E+03 0.57130E-03 -0.97594E-04 4811 0.668E-02 0.761E-02 RMM: 5 -0.323003743518E+03 0.22368E-04 -0.12862E-04 3948 0.286E-02 0.794E-02 RMM: 6 -0.323003710640E+03 0.32879E-04 -0.27607E-05 2648 0.156E-02 0.511E-02 RMM: 7 -0.323003730453E+03 -0.19813E-04 -0.33992E-05 2792 0.171E-02 4189 T= 7019. E= 0.67530029E+03 F= 0.63326526E+03 E0= 0.66220519E+03 EK= 0.57156E+02 SP= -.15E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322643068180E+03 0.36064E+00 -0.13877E-01 7760 0.247E+01 0.267E-01 RMM: 2 -0.322661505611E+03 -0.18437E-01 -0.11521E-01 4849 0.826E-01 0.118E+00 RMM: 3 -0.322652262359E+03 0.92433E-02 -0.13913E-02 5588 0.246E-01 0.242E-01 RMM: 4 -0.322651878905E+03 0.38345E-03 -0.11793E-03 4766 0.754E-02 0.141E-01 RMM: 5 -0.322651849892E+03 0.29013E-04 -0.21023E-04 3877 0.355E-02 0.129E-01 RMM: 6 -0.322651740269E+03 0.10962E-03 -0.73293E-05 3454 0.250E-02 0.230E-02 RMM: 7 -0.322651749054E+03 -0.87843E-05 -0.17900E-05 2521 0.129E-02 4190 T= 6919. E= 0.67530580E+03 F= 0.63361724E+03 E0= 0.66253848E+03 EK= 0.56345E+02 SP= -.15E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322422847136E+03 0.22889E+00 -0.13347E-01 7856 0.245E+01 0.172E-01 RMM: 2 -0.322437237195E+03 -0.14390E-01 -0.11838E-01 5025 0.808E-01 0.766E-01 RMM: 3 -0.322433087318E+03 0.41499E-02 -0.12935E-02 5971 0.204E-01 0.145E-01 RMM: 4 -0.322432770162E+03 0.31716E-03 -0.61134E-04 4762 0.570E-02 0.103E-01 RMM: 5 -0.322432694694E+03 0.75467E-04 -0.98136E-05 3665 0.265E-02 0.672E-02 RMM: 6 -0.322432668857E+03 0.25837E-04 -0.27859E-05 2603 0.158E-02 0.435E-02 RMM: 7 -0.322432661439E+03 0.74182E-05 -0.32090E-05 2572 0.160E-02 4191 T= 6834. E= 0.67530866E+03 F= 0.63383633E+03 E0= 0.66272919E+03 EK= 0.55654E+02 SP= -.15E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322363772901E+03 0.68896E-01 -0.13934E-01 7872 0.244E+01 0.204E-01 RMM: 2 -0.322380233255E+03 -0.16460E-01 -0.12703E-01 4844 0.868E-01 0.908E-01 RMM: 3 -0.322374530363E+03 0.57029E-02 -0.14698E-02 5795 0.237E-01 0.180E-01 RMM: 4 -0.322374143890E+03 0.38647E-03 -0.83026E-04 5040 0.605E-02 0.762E-02 RMM: 5 -0.322374130484E+03 0.13406E-04 -0.11057E-04 3756 0.284E-02 4192 T= 6768. E= 0.67530942E+03 F= 0.63389486E+03 E0= 0.66275233E+03 EK= 0.55114E+02 SP= -.14E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322462408621E+03 -0.88265E-01 -0.12537E-01 7712 0.244E+01 0.162E-01 RMM: 2 -0.322473994203E+03 -0.11586E-01 -0.92094E-02 5195 0.722E-01 0.741E-01 RMM: 3 -0.322470174795E+03 0.38194E-02 -0.90327E-03 5941 0.177E-01 0.148E-01 RMM: 4 -0.322469920509E+03 0.25429E-03 -0.42265E-04 4397 0.488E-02 0.949E-02 RMM: 5 -0.322469857937E+03 0.62572E-04 -0.67565E-05 3489 0.220E-02 0.751E-02 RMM: 6 -0.322469838794E+03 0.19143E-04 -0.26960E-05 2586 0.157E-02 4193 T= 6719. E= 0.67530845E+03 F= 0.63379915E+03 E0= 0.66261858E+03 EK= 0.54719E+02 SP= -.14E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322678016247E+03 -0.20816E+00 -0.12798E-01 7648 0.243E+01 0.314E-01 RMM: 2 -0.322706424231E+03 -0.28408E-01 -0.10889E-01 5026 0.815E-01 0.174E+00 RMM: 3 -0.322686131830E+03 0.20292E-01 -0.15261E-02 5409 0.289E-01 0.228E-01 RMM: 4 -0.322685795931E+03 0.33590E-03 -0.14729E-03 5022 0.731E-02 0.103E-01 RMM: 5 -0.322685784711E+03 0.11219E-04 -0.17058E-04 3872 0.344E-02 4194 T= 6685. E= 0.67530586E+03 F= 0.63358320E+03 E0= 0.66236614E+03 EK= 0.54437E+02 SP= -.13E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322962044936E+03 -0.27625E+00 -0.12077E-01 7536 0.244E+01 0.318E-01 RMM: 2 -0.322990380835E+03 -0.28336E-01 -0.10409E-01 5243 0.806E-01 0.175E+00 RMM: 3 -0.322969867859E+03 0.20513E-01 -0.13755E-02 5411 0.280E-01 0.292E-01 RMM: 4 -0.322969252316E+03 0.61554E-03 -0.14387E-03 4735 0.800E-02 0.110E-01 RMM: 5 -0.322969231748E+03 0.20567E-04 -0.19682E-04 3887 0.360E-02 0.120E-01 RMM: 6 -0.322969141384E+03 0.90364E-04 -0.59890E-05 3337 0.227E-02 0.506E-02 RMM: 7 -0.322969148857E+03 -0.74728E-05 -0.29948E-05 2658 0.154E-02 4195 T= 6658. E= 0.67530299E+03 F= 0.63329984E+03 E0= 0.66205102E+03 EK= 0.54217E+02 SP= -.13E+02 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323254535430E+03 -0.28539E+00 -0.12009E-01 7712 0.244E+01 0.270E-01 RMM: 2 -0.323275078034E+03 -0.20543E-01 -0.97509E-02 5061 0.766E-01 0.137E+00 RMM: 3 -0.323262071212E+03 0.13007E-01 -0.11160E-02 5437 0.237E-01 0.232E-01 RMM: 4 -0.323261738592E+03 0.33262E-03 -0.10886E-03 4719 0.709E-02 0.119E-01 RMM: 5 -0.323261719962E+03 0.18630E-04 -0.17557E-04 3869 0.338E-02 4196 T= 6631. E= 0.67530053E+03 F= 0.63300727E+03 E0= 0.66173496E+03 EK= 0.54003E+02 SP= -.12E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323501672761E+03 -0.23993E+00 -0.11902E-01 7456 0.244E+01 0.168E-01 RMM: 2 -0.323512934748E+03 -0.11262E-01 -0.95641E-02 5242 0.767E-01 0.689E-01 RMM: 3 -0.323509895242E+03 0.30395E-02 -0.91961E-03 5811 0.185E-01 0.174E-01 RMM: 4 -0.323509605365E+03 0.28988E-03 -0.49629E-04 4589 0.532E-02 0.102E-01 RMM: 5 -0.323509511065E+03 0.94300E-04 -0.89416E-05 3636 0.242E-02 0.734E-02 RMM: 6 -0.323509489612E+03 0.21453E-04 -0.24713E-05 2559 0.150E-02 0.567E-02 RMM: 7 -0.323509459725E+03 0.29887E-04 -0.99538E-05 3876 0.241E-02 0.672E-02 RMM: 8 -0.323509425359E+03 0.34365E-04 -0.48469E-05 2837 0.186E-02 0.235E-02 RMM: 9 -0.323509428997E+03 -0.36377E-05 -0.16470E-05 2471 0.118E-02 4197 T= 6599. E= 0.67529859E+03 F= 0.63275956E+03 E0= 0.66147118E+03 EK= 0.53742E+02 SP= -.12E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323664275783E+03 -0.15485E+00 -0.11834E-01 7824 0.243E+01 0.210E-01 RMM: 2 -0.323676705674E+03 -0.12430E-01 -0.94160E-02 4854 0.768E-01 0.846E-01 RMM: 3 -0.323671993917E+03 0.47118E-02 -0.10973E-02 5729 0.214E-01 0.173E-01 RMM: 4 -0.323671833696E+03 0.16022E-03 -0.74537E-04 4678 0.655E-02 0.158E-01 RMM: 5 -0.323671690578E+03 0.14312E-03 -0.14039E-04 3788 0.324E-02 0.753E-02 RMM: 6 -0.323671655116E+03 0.35462E-04 -0.33880E-05 2946 0.183E-02 0.229E-02 RMM: 7 -0.323671656906E+03 -0.17901E-05 -0.13879E-05 2485 0.116E-02 4198 T= 6557. E= 0.67529695E+03 F= 0.63259733E+03 E0= 0.66130072E+03 EK= 0.53394E+02 SP= -.11E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323718766358E+03 -0.47111E-01 -0.11953E-01 7696 0.242E+01 0.167E-01 RMM: 2 -0.323729071255E+03 -0.10305E-01 -0.87477E-02 5129 0.736E-01 0.671E-01 RMM: 3 -0.323726088642E+03 0.29826E-02 -0.90418E-03 5901 0.187E-01 0.136E-01 RMM: 4 -0.323725898819E+03 0.18982E-03 -0.42865E-04 4632 0.490E-02 0.105E-01 RMM: 5 -0.323725818988E+03 0.79830E-04 -0.69419E-05 3461 0.249E-02 0.558E-02 RMM: 6 -0.323725809786E+03 0.92026E-05 -0.21087E-05 2535 0.135E-02 4199 T= 6501. E= 0.67529693E+03 F= 0.63254318E+03 E0= 0.66124228E+03 EK= 0.52942E+02 SP= -.11E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323661986981E+03 0.63832E-01 -0.12342E-01 7592 0.241E+01 0.222E-01 RMM: 2 -0.323679098048E+03 -0.17111E-01 -0.10087E-01 4852 0.792E-01 0.112E+00 RMM: 3 -0.323670433558E+03 0.86645E-02 -0.12567E-02 5458 0.245E-01 0.206E-01 RMM: 4 -0.323670124781E+03 0.30878E-03 -0.88742E-04 4733 0.642E-02 0.857E-02 RMM: 5 -0.323670093597E+03 0.31183E-04 -0.11498E-04 3879 0.298E-02 0.747E-02 RMM: 6 -0.323670062516E+03 0.31082E-04 -0.26619E-05 2588 0.154E-02 0.470E-02 RMM: 7 -0.323670068223E+03 -0.57069E-05 -0.27436E-05 2556 0.166E-02 4200 T= 6433. E= 0.67529788E+03 F= 0.63259892E+03 E0= 0.66129594E+03 EK= 0.52385E+02 SP= -.10E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323516828130E+03 0.15323E+00 -0.11593E-01 7552 0.240E+01 0.237E-01 RMM: 2 -0.323530622852E+03 -0.13795E-01 -0.86517E-02 4922 0.752E-01 0.102E+00 RMM: 3 -0.323523621035E+03 0.70018E-02 -0.11138E-02 5399 0.240E-01 0.214E-01 RMM: 4 -0.323523405049E+03 0.21599E-03 -0.97291E-04 4744 0.697E-02 0.131E-01 RMM: 5 -0.323523321733E+03 0.83316E-04 -0.14192E-04 3854 0.306E-02 0.963E-02 RMM: 6 -0.323523262618E+03 0.59115E-04 -0.36264E-05 2979 0.188E-02 0.301E-02 RMM: 7 -0.323523262404E+03 0.21394E-06 -0.14704E-05 2496 0.121E-02 4201 T= 6354. E= 0.67530050E+03 F= 0.63274573E+03 E0= 0.66143977E+03 EK= 0.51747E+02 SP= -.97E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323313168223E+03 0.21009E+00 -0.11763E-01 7712 0.237E+01 0.225E-01 RMM: 2 -0.323329981561E+03 -0.16813E-01 -0.98654E-02 4887 0.787E-01 0.113E+00 RMM: 3 -0.323321272409E+03 0.87092E-02 -0.12223E-02 5460 0.243E-01 0.187E-01 RMM: 4 -0.323321023178E+03 0.24923E-03 -0.86671E-04 4759 0.626E-02 0.991E-02 RMM: 5 -0.323320973071E+03 0.50107E-04 -0.11957E-04 3854 0.308E-02 0.792E-02 RMM: 6 -0.323320932220E+03 0.40851E-04 -0.33435E-05 2854 0.175E-02 0.414E-02 RMM: 7 -0.323320934288E+03 -0.20685E-05 -0.23096E-05 2528 0.148E-02 4202 T= 6271. E= 0.67530402E+03 F= 0.63294805E+03 E0= 0.66163634E+03 EK= 0.51066E+02 SP= -.92E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323102538784E+03 0.21839E+00 -0.11213E-01 7624 0.235E+01 0.208E-01 RMM: 2 -0.323115972675E+03 -0.13434E-01 -0.86648E-02 4889 0.743E-01 0.968E-01 RMM: 3 -0.323109620261E+03 0.63524E-02 -0.10440E-02 5479 0.222E-01 0.193E-01 RMM: 4 -0.323109360016E+03 0.26024E-03 -0.74606E-04 4717 0.607E-02 0.953E-02 RMM: 5 -0.323109315951E+03 0.44066E-04 -0.10765E-04 3748 0.287E-02 0.687E-02 RMM: 6 -0.323109287338E+03 0.28613E-04 -0.27751E-05 2730 0.163E-02 0.310E-02 RMM: 7 -0.323109287851E+03 -0.51295E-06 -0.14997E-05 2483 0.127E-02 4203 T= 6188. E= 0.67530722E+03 F= 0.63315970E+03 E0= 0.66183974E+03 EK= 0.50391E+02 SP= -.87E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322930307985E+03 0.17898E+00 -0.10657E-01 7640 0.233E+01 0.187E-01 RMM: 2 -0.322941820331E+03 -0.11512E-01 -0.80681E-02 4961 0.711E-01 0.854E-01 RMM: 3 -0.322936991777E+03 0.48286E-02 -0.94303E-03 5636 0.200E-01 0.157E-01 RMM: 4 -0.322936810498E+03 0.18128E-03 -0.61151E-04 4646 0.574E-02 0.112E-01 RMM: 5 -0.322936736525E+03 0.73973E-04 -0.97854E-05 3655 0.275E-02 0.747E-02 RMM: 6 -0.322936701501E+03 0.35024E-04 -0.29520E-05 2762 0.170E-02 0.359E-02 RMM: 7 -0.322936699202E+03 0.22988E-05 -0.17909E-05 2494 0.129E-02 4204 T= 6112. E= 0.67531033E+03 F= 0.63333229E+03 E0= 0.66200156E+03 EK= 0.49771E+02 SP= -.82E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322841556531E+03 0.95145E-01 -0.10151E-01 7640 0.231E+01 0.196E-01 RMM: 2 -0.322853951094E+03 -0.12395E-01 -0.82573E-02 4892 0.724E-01 0.909E-01 RMM: 3 -0.322848287399E+03 0.56637E-02 -0.95610E-03 5529 0.209E-01 0.185E-01 RMM: 4 -0.322848023242E+03 0.26416E-03 -0.64735E-04 4727 0.570E-02 0.813E-02 RMM: 5 -0.322847992262E+03 0.30981E-04 -0.97214E-05 3714 0.271E-02 0.719E-02 RMM: 6 -0.322847961834E+03 0.30427E-04 -0.28177E-05 2745 0.165E-02 0.323E-02 RMM: 7 -0.322847962188E+03 -0.35390E-06 -0.17648E-05 2492 0.132E-02 4205 T= 6048. E= 0.67531268E+03 F= 0.63342103E+03 E0= 0.66207777E+03 EK= 0.49254E+02 SP= -.78E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322871919449E+03 -0.23958E-01 -0.97556E-02 7720 0.230E+01 0.174E-01 RMM: 2 -0.322882194506E+03 -0.10275E-01 -0.76508E-02 4904 0.700E-01 0.771E-01 RMM: 3 -0.322878281491E+03 0.39130E-02 -0.88996E-03 5774 0.188E-01 0.153E-01 RMM: 4 -0.322878068484E+03 0.21301E-03 -0.53930E-04 4608 0.570E-02 0.104E-01 RMM: 5 -0.322878009979E+03 0.58505E-04 -0.88862E-05 3564 0.269E-02 0.721E-02 RMM: 6 -0.322877979652E+03 0.30327E-04 -0.25950E-05 2623 0.161E-02 0.324E-02 RMM: 7 -0.322877978064E+03 0.15883E-05 -0.14284E-05 2479 0.118E-02 4206 T= 6002. E= 0.67531390E+03 F= 0.63339101E+03 E0= 0.66203424E+03 EK= 0.48874E+02 SP= -.73E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323039357047E+03 -0.16138E+00 -0.98272E-02 7600 0.229E+01 0.165E-01 RMM: 2 -0.323050165926E+03 -0.10809E-01 -0.86521E-02 4800 0.743E-01 0.716E-01 RMM: 3 -0.323046690333E+03 0.34756E-02 -0.10341E-02 5766 0.203E-01 0.137E-01 RMM: 4 -0.323046481389E+03 0.20894E-03 -0.51343E-04 4766 0.523E-02 0.876E-02 RMM: 5 -0.323046434706E+03 0.46682E-04 -0.77715E-05 3527 0.262E-02 0.655E-02 RMM: 6 -0.323046411269E+03 0.23437E-04 -0.25859E-05 2577 0.156E-02 0.356E-02 RMM: 7 -0.323046406615E+03 0.46542E-05 -0.21735E-05 2500 0.142E-02 4207 T= 5974. E= 0.67531405E+03 F= 0.63322258E+03 E0= 0.66185256E+03 EK= 0.48652E+02 SP= -.69E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323352282297E+03 -0.30587E+00 -0.96294E-02 7752 0.229E+01 0.156E-01 RMM: 2 -0.323361411310E+03 -0.91290E-02 -0.73177E-02 4872 0.686E-01 0.670E-01 RMM: 3 -0.323358442656E+03 0.29687E-02 -0.84324E-03 5822 0.181E-01 0.148E-01 RMM: 4 -0.323358225929E+03 0.21673E-03 -0.46566E-04 4542 0.547E-02 0.868E-02 RMM: 5 -0.323358182944E+03 0.42985E-04 -0.71584E-05 3422 0.251E-02 0.640E-02 RMM: 6 -0.323358161245E+03 0.21698E-04 -0.22509E-05 2548 0.149E-02 0.318E-02 RMM: 7 -0.323358159870E+03 0.13754E-05 -0.13121E-05 2476 0.113E-02 4208 T= 5967. E= 0.67531303E+03 F= 0.63291083E+03 E0= 0.66152839E+03 EK= 0.48591E+02 SP= -.65E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323797833548E+03 -0.43967E+00 -0.97235E-02 7800 0.230E+01 0.154E-01 RMM: 2 -0.323807461992E+03 -0.96284E-02 -0.81064E-02 4815 0.717E-01 0.639E-01 RMM: 3 -0.323804700194E+03 0.27618E-02 -0.94391E-03 5833 0.192E-01 0.122E-01 RMM: 4 -0.323804531223E+03 0.16897E-03 -0.45254E-04 4636 0.508E-02 0.953E-02 RMM: 5 -0.323804473447E+03 0.57775E-04 -0.69537E-05 3429 0.253E-02 0.587E-02 RMM: 6 -0.323804456298E+03 0.17149E-04 -0.22781E-05 2543 0.145E-02 4209 T= 5978. E= 0.67531194E+03 F= 0.63246453E+03 E0= 0.66107207E+03 EK= 0.48684E+02 SP= -.61E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324362990326E+03 -0.55852E+00 -0.94099E-02 7552 0.231E+01 0.146E-01 RMM: 2 -0.324372527961E+03 -0.95376E-02 -0.70578E-02 4971 0.659E-01 0.715E-01 RMM: 3 -0.324369029719E+03 0.34982E-02 -0.76852E-03 5647 0.176E-01 0.141E-01 RMM: 4 -0.324368858742E+03 0.17098E-03 -0.40072E-04 4465 0.462E-02 0.747E-02 RMM: 5 -0.324368809055E+03 0.49687E-04 -0.51905E-05 3074 0.225E-02 0.507E-02 RMM: 6 -0.324368803553E+03 0.55017E-05 -0.24823E-05 2541 0.150E-02 4210 T= 6006. E= 0.67531102E+03 F= 0.63190019E+03 E0= 0.66050062E+03 EK= 0.48912E+02 SP= -.58E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325028199613E+03 -0.65939E+00 -0.96906E-02 7480 0.232E+01 0.248E-01 RMM: 2 -0.325049689135E+03 -0.21490E-01 -0.72243E-02 5033 0.685E-01 0.152E+00 RMM: 3 -0.325033620219E+03 0.16069E-01 -0.97887E-03 5363 0.236E-01 0.159E-01 RMM: 4 -0.325033463038E+03 0.15718E-03 -0.88971E-04 4671 0.608E-02 0.895E-02 RMM: 5 -0.325033417771E+03 0.45267E-04 -0.10110E-04 3758 0.264E-02 0.667E-02 RMM: 6 -0.325033392397E+03 0.25374E-04 -0.25386E-05 2635 0.156E-02 0.341E-02 RMM: 7 -0.325033394042E+03 -0.16449E-05 -0.13071E-05 2490 0.118E-02 4211 T= 6049. E= 0.67531012E+03 F= 0.63123560E+03 E0= 0.65983336E+03 EK= 0.49256E+02 SP= -.54E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325777075833E+03 -0.74368E+00 -0.99161E-02 7520 0.233E+01 0.247E-01 RMM: 2 -0.325792240271E+03 -0.15164E-01 -0.83543E-02 4992 0.737E-01 0.113E+00 RMM: 3 -0.325783577447E+03 0.86628E-02 -0.10336E-02 5369 0.233E-01 0.253E-01 RMM: 4 -0.325783155027E+03 0.42242E-03 -0.10005E-03 4704 0.690E-02 0.832E-02 RMM: 5 -0.325783125833E+03 0.29194E-04 -0.13798E-04 3873 0.300E-02 0.799E-02 RMM: 6 -0.325783085203E+03 0.40630E-04 -0.29165E-05 2822 0.168E-02 0.316E-02 RMM: 7 -0.325783083292E+03 0.19112E-05 -0.12978E-05 2479 0.115E-02 4212 T= 6103. E= 0.67530948E+03 F= 0.63048591E+03 E0= 0.65908491E+03 EK= 0.49699E+02 SP= -.51E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326600512757E+03 -0.81743E+00 -0.10079E-01 7512 0.234E+01 0.168E-01 RMM: 2 -0.326611277041E+03 -0.10764E-01 -0.80863E-02 4960 0.709E-01 0.766E-01 RMM: 3 -0.326607405465E+03 0.38716E-02 -0.90964E-03 5734 0.187E-01 0.126E-01 RMM: 4 -0.326607242526E+03 0.16294E-03 -0.51569E-04 4579 0.528E-02 0.102E-01 RMM: 5 -0.326607179967E+03 0.62559E-04 -0.81122E-05 3556 0.256E-02 0.622E-02 RMM: 6 -0.326607157861E+03 0.22105E-04 -0.22677E-05 2551 0.143E-02 0.351E-02 RMM: 7 -0.326607155008E+03 0.28527E-05 -0.17936E-05 2495 0.132E-02 4213 T= 6168. E= 0.67530875E+03 F= 0.62966183E+03 E0= 0.65826611E+03 EK= 0.50227E+02 SP= -.48E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327489498248E+03 -0.88234E+00 -0.10552E-01 7592 0.236E+01 0.203E-01 RMM: 2 -0.327501985118E+03 -0.12487E-01 -0.86402E-02 4925 0.741E-01 0.910E-01 RMM: 3 -0.327496583509E+03 0.54016E-02 -0.99187E-03 5538 0.208E-01 0.169E-01 RMM: 4 -0.327496348729E+03 0.23478E-03 -0.69797E-04 4809 0.581E-02 0.922E-02 RMM: 5 -0.327496308094E+03 0.40635E-04 -0.10167E-04 3759 0.274E-02 0.712E-02 RMM: 6 -0.327496277744E+03 0.30350E-04 -0.24701E-05 2604 0.152E-02 0.330E-02 RMM: 7 -0.327496275904E+03 0.18401E-05 -0.11251E-05 2480 0.108E-02 4214 T= 6242. E= 0.67530725E+03 F= 0.62877271E+03 E0= 0.65738537E+03 EK= 0.50829E+02 SP= -.45E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328428811893E+03 -0.93253E+00 -0.11388E-01 7664 0.237E+01 0.172E-01 RMM: 2 -0.328439620365E+03 -0.10808E-01 -0.88996E-02 4900 0.748E-01 0.703E-01 RMM: 3 -0.328436406712E+03 0.32137E-02 -0.10230E-02 5817 0.196E-01 0.131E-01 RMM: 4 -0.328436212849E+03 0.19386E-03 -0.54484E-04 4737 0.541E-02 0.109E-01 RMM: 5 -0.328436142603E+03 0.70246E-04 -0.86517E-05 3602 0.270E-02 0.626E-02 RMM: 6 -0.328436120478E+03 0.22125E-04 -0.22599E-05 2548 0.143E-02 0.321E-02 RMM: 7 -0.328436116795E+03 0.36833E-05 -0.15894E-05 2481 0.127E-02 4215 T= 6322. E= 0.67530551E+03 F= 0.62783287E+03 E0= 0.65645570E+03 EK= 0.51487E+02 SP= -.42E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329399317939E+03 -0.96320E+00 -0.11678E-01 7600 0.239E+01 0.187E-01 RMM: 2 -0.329411128480E+03 -0.11811E-01 -0.88561E-02 4897 0.754E-01 0.820E-01 RMM: 3 -0.329406794301E+03 0.43342E-02 -0.10341E-02 5706 0.203E-01 0.145E-01 RMM: 4 -0.329406585623E+03 0.20868E-03 -0.61635E-04 4756 0.562E-02 0.100E-01 RMM: 5 -0.329406537785E+03 0.47839E-04 -0.96377E-05 3679 0.275E-02 0.749E-02 RMM: 6 -0.329406503650E+03 0.34135E-04 -0.27439E-05 2664 0.161E-02 0.343E-02 RMM: 7 -0.329406502551E+03 0.10988E-05 -0.14634E-05 2487 0.121E-02 4216 T= 6407. E= 0.67530300E+03 F= 0.62686249E+03 E0= 0.65549574E+03 EK= 0.52177E+02 SP= -.39E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330367708420E+03 -0.96120E+00 -0.12052E-01 7696 0.241E+01 0.173E-01 RMM: 2 -0.330378424450E+03 -0.10716E-01 -0.88806E-02 4941 0.745E-01 0.704E-01 RMM: 3 -0.330375238844E+03 0.31856E-02 -0.10159E-02 5790 0.196E-01 0.128E-01 RMM: 4 -0.330375065444E+03 0.17340E-03 -0.56012E-04 4792 0.534E-02 0.111E-01 RMM: 5 -0.330374990404E+03 0.75040E-04 -0.84620E-05 3633 0.267E-02 0.591E-02 RMM: 6 -0.330374972780E+03 0.17624E-04 -0.21240E-05 2539 0.138E-02 4217 T= 6492. E= 0.67529982E+03 F= 0.62589402E+03 E0= 0.65453709E+03 EK= 0.52865E+02 SP= -.36E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331286743599E+03 -0.91175E+00 -0.12496E-01 7560 0.242E+01 0.182E-01 RMM: 2 -0.331302256418E+03 -0.15513E-01 -0.11667E-01 4816 0.842E-01 0.877E-01 RMM: 3 -0.331297137627E+03 0.51188E-02 -0.13947E-02 5750 0.224E-01 0.185E-01 RMM: 4 -0.331296739940E+03 0.39769E-03 -0.74833E-04 4823 0.627E-02 0.772E-02 RMM: 5 -0.331296707381E+03 0.32558E-04 -0.10561E-04 3798 0.278E-02 0.701E-02 RMM: 6 -0.331296681096E+03 0.26285E-04 -0.24855E-05 2553 0.152E-02 0.451E-02 RMM: 7 -0.331296681620E+03 -0.52377E-06 -0.22601E-05 2515 0.146E-02 4218 T= 6570. E= 0.67529626E+03 F= 0.62497231E+03 E0= 0.65362316E+03 EK= 0.53503E+02 SP= -.33E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332115674703E+03 -0.81899E+00 -0.11757E-01 7648 0.244E+01 0.214E-01 RMM: 2 -0.332129512229E+03 -0.13838E-01 -0.95029E-02 4900 0.782E-01 0.948E-01 RMM: 3 -0.332123608658E+03 0.59036E-02 -0.11321E-02 5587 0.220E-01 0.217E-01 RMM: 4 -0.332123232672E+03 0.37599E-03 -0.87098E-04 4704 0.677E-02 0.962E-02 RMM: 5 -0.332123199823E+03 0.32850E-04 -0.12600E-04 3792 0.287E-02 0.838E-02 RMM: 6 -0.332123157070E+03 0.42753E-04 -0.28356E-05 2702 0.168E-02 0.274E-02 RMM: 7 -0.332123157109E+03 -0.39146E-07 -0.12962E-05 2485 0.115E-02 4219 T= 6636. E= 0.67529259E+03 F= 0.62414583E+03 E0= 0.65280270E+03 EK= 0.54039E+02 SP= -.31E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332797174157E+03 -0.67402E+00 -0.12605E-01 7656 0.245E+01 0.180E-01 RMM: 2 -0.332812525034E+03 -0.15351E-01 -0.11915E-01 4743 0.861E-01 0.847E-01 RMM: 3 -0.332807782863E+03 0.47422E-02 -0.14710E-02 5874 0.228E-01 0.146E-01 RMM: 4 -0.332807486820E+03 0.29604E-03 -0.72322E-04 4788 0.636E-02 0.108E-01 RMM: 5 -0.332807412925E+03 0.73895E-04 -0.11452E-04 3741 0.301E-02 0.694E-02 RMM: 6 -0.332807386171E+03 0.26754E-04 -0.29844E-05 2652 0.165E-02 0.393E-02 RMM: 7 -0.332807383299E+03 0.28726E-05 -0.19924E-05 2511 0.138E-02 4220 T= 6683. E= 0.67528978E+03 F= 0.62346161E+03 E0= 0.65212157E+03 EK= 0.54427E+02 SP= -.28E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333302138450E+03 -0.49475E+00 -0.12106E-01 7680 0.245E+01 0.170E-01 RMM: 2 -0.333313653001E+03 -0.11515E-01 -0.92648E-02 4849 0.759E-01 0.731E-01 RMM: 3 -0.333310102608E+03 0.35504E-02 -0.11035E-02 5804 0.205E-01 0.149E-01 RMM: 4 -0.333309854923E+03 0.24768E-03 -0.57084E-04 4777 0.556E-02 0.900E-02 RMM: 5 -0.333309811190E+03 0.43733E-04 -0.80503E-05 3626 0.255E-02 0.672E-02 RMM: 6 -0.333309788103E+03 0.23087E-04 -0.23264E-05 2550 0.148E-02 0.362E-02 RMM: 7 -0.333309787994E+03 0.10891E-06 -0.16312E-05 2497 0.125E-02 4221 T= 6708. E= 0.67528807E+03 F= 0.62295920E+03 E0= 0.65161982E+03 EK= 0.54624E+02 SP= -.25E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333597245180E+03 -0.28746E+00 -0.12394E-01 7664 0.245E+01 0.165E-01 RMM: 2 -0.333609336652E+03 -0.12091E-01 -0.10576E-01 4761 0.807E-01 0.656E-01 RMM: 3 -0.333606524687E+03 0.28120E-02 -0.12888E-02 5948 0.211E-01 0.125E-01 RMM: 4 -0.333606305213E+03 0.21947E-03 -0.61743E-04 4660 0.622E-02 0.122E-01 RMM: 5 -0.333606213961E+03 0.91253E-04 -0.10080E-04 3625 0.296E-02 0.632E-02 RMM: 6 -0.333606192545E+03 0.21415E-04 -0.24817E-05 2554 0.149E-02 0.321E-02 RMM: 7 -0.333606191052E+03 0.14937E-05 -0.14663E-05 2478 0.123E-02 4222 T= 6706. E= 0.67528803E+03 F= 0.62266280E+03 E0= 0.65132092E+03 EK= 0.54609E+02 SP= -.22E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333686028204E+03 -0.79836E-01 -0.11538E-01 7768 0.244E+01 0.156E-01 RMM: 2 -0.333695375338E+03 -0.93471E-02 -0.79759E-02 4882 0.707E-01 0.626E-01 RMM: 3 -0.333692877211E+03 0.24981E-02 -0.95681E-03 5888 0.190E-01 0.133E-01 RMM: 4 -0.333692677364E+03 0.19985E-03 -0.44629E-04 4598 0.510E-02 0.989E-02 RMM: 5 -0.333692614518E+03 0.62846E-04 -0.70003E-05 3460 0.247E-02 0.622E-02 RMM: 6 -0.333692595457E+03 0.19060E-04 -0.22513E-05 2538 0.145E-02 4223 T= 6678. E= 0.67528953E+03 F= 0.62257639E+03 E0= 0.65122819E+03 EK= 0.54378E+02 SP= -.19E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333575781793E+03 0.11683E+00 -0.11593E-01 7640 0.242E+01 0.181E-01 RMM: 2 -0.333588841324E+03 -0.13060E-01 -0.86654E-02 4861 0.721E-01 0.912E-01 RMM: 3 -0.333583220154E+03 0.56212E-02 -0.10562E-02 5614 0.211E-01 0.176E-01 RMM: 4 -0.333582948323E+03 0.27183E-03 -0.62604E-04 4747 0.551E-02 0.766E-02 RMM: 5 -0.333582916106E+03 0.32218E-04 -0.81831E-05 3599 0.253E-02 0.651E-02 RMM: 6 -0.333582894681E+03 0.21425E-04 -0.22846E-05 2546 0.145E-02 0.444E-02 RMM: 7 -0.333582897653E+03 -0.29715E-05 -0.19953E-05 2514 0.140E-02 4224 T= 6625. E= 0.67529219E+03 F= 0.62268609E+03 E0= 0.65132696E+03 EK= 0.53947E+02 SP= -.15E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333302053809E+03 0.28084E+00 -0.11592E-01 7632 0.240E+01 0.225E-01 RMM: 2 -0.333316262148E+03 -0.14208E-01 -0.73688E-02 4885 0.689E-01 0.112E+00 RMM: 3 -0.333307890090E+03 0.83721E-02 -0.93982E-03 5480 0.217E-01 0.216E-01 RMM: 4 -0.333307584216E+03 0.30587E-03 -0.92264E-04 4644 0.696E-02 0.108E-01 RMM: 5 -0.333307582777E+03 0.14382E-05 -0.13453E-04 3806 0.302E-02 4225 T= 6551. E= 0.67529699E+03 F= 0.62296141E+03 E0= 0.65158579E+03 EK= 0.53350E+02 SP= -.12E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332901133980E+03 0.40645E+00 -0.11487E-01 7696 0.238E+01 0.156E-01 RMM: 2 -0.332913221060E+03 -0.12087E-01 -0.82462E-02 4921 0.690E-01 0.851E-01 RMM: 3 -0.332908259101E+03 0.49620E-02 -0.94314E-03 5645 0.199E-01 0.142E-01 RMM: 4 -0.332908065639E+03 0.19346E-03 -0.48700E-04 4800 0.480E-02 0.783E-02 RMM: 5 -0.332908014446E+03 0.51193E-04 -0.56805E-05 3136 0.227E-02 0.607E-02 RMM: 6 -0.332908002262E+03 0.12184E-04 -0.24314E-05 2515 0.151E-02 4226 T= 6463. E= 0.67530230E+03 F= 0.62336099E+03 E0= 0.65196442E+03 EK= 0.52632E+02 SP= -.90E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332422638108E+03 0.48538E+00 -0.11448E-01 7640 0.235E+01 0.230E-01 RMM: 2 -0.332443192607E+03 -0.20554E-01 -0.92900E-02 4716 0.750E-01 0.135E+00 RMM: 3 -0.332430431086E+03 0.12762E-01 -0.12926E-02 5418 0.256E-01 0.206E-01 RMM: 4 -0.332430124580E+03 0.30651E-03 -0.10712E-03 4822 0.661E-02 0.723E-02 RMM: 5 -0.332430108279E+03 0.16301E-04 -0.11627E-04 3892 0.286E-02 4227 T= 6366. E= 0.67530700E+03 F= 0.62383888E+03 E0= 0.65241697E+03 EK= 0.51841E+02 SP= -.58E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331915306292E+03 0.51482E+00 -0.10926E-01 7728 0.233E+01 0.240E-01 RMM: 2 -0.331937341845E+03 -0.22036E-01 -0.89745E-02 4915 0.732E-01 0.145E+00 RMM: 3 -0.331922572757E+03 0.14769E-01 -0.11864E-02 5400 0.249E-01 0.217E-01 RMM: 4 -0.331922231695E+03 0.34106E-03 -0.10646E-03 4716 0.683E-02 0.917E-02 RMM: 5 -0.331922202016E+03 0.29680E-04 -0.12357E-04 3922 0.291E-02 0.850E-02 RMM: 6 -0.331922157297E+03 0.44719E-04 -0.29121E-05 2639 0.164E-02 0.445E-02 RMM: 7 -0.331922159383E+03 -0.20858E-05 -0.19310E-05 2531 0.137E-02 4228 T= 6266. E= 0.67531100E+03 F= 0.62434683E+03 E0= 0.65289674E+03 EK= 0.51029E+02 SP= -.26E+00 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331420724647E+03 0.50143E+00 -0.10350E-01 7664 0.230E+01 0.210E-01 RMM: 2 -0.331434580169E+03 -0.13856E-01 -0.89467E-02 4750 0.737E-01 0.963E-01 RMM: 3 -0.331428200383E+03 0.63798E-02 -0.11035E-02 5614 0.216E-01 0.187E-01 RMM: 4 -0.331427953934E+03 0.24645E-03 -0.81387E-04 4698 0.651E-02 0.119E-01 RMM: 5 -0.331427938404E+03 0.15530E-04 -0.13767E-04 3794 0.309E-02 4229 T= 6170. E= 0.67531468E+03 F= 0.62484105E+03 E0= 0.65336206E+03 EK= 0.50244E+02 SP= 0.47E-01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330973159120E+03 0.45479E+00 -0.10048E-01 7760 0.228E+01 0.123E-01 RMM: 2 -0.330984371337E+03 -0.11212E-01 -0.99789E-02 4800 0.759E-01 0.539E-01 RMM: 3 -0.330982182791E+03 0.21885E-02 -0.11473E-02 5958 0.196E-01 0.107E-01 RMM: 4 -0.330982006762E+03 0.17603E-03 -0.49290E-04 4508 0.554E-02 0.919E-02 RMM: 5 -0.330981945821E+03 0.60940E-04 -0.68448E-05 3358 0.260E-02 0.548E-02 RMM: 6 -0.330981935995E+03 0.98262E-05 -0.23547E-05 2522 0.142E-02 4230 T= 6081. E= 0.67531801E+03 F= 0.62528705E+03 E0= 0.65378185E+03 EK= 0.49523E+02 SP= 0.34E+00 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330602021620E+03 0.37992E+00 -0.10227E-01 7624 0.227E+01 0.200E-01 RMM: 2 -0.330617954653E+03 -0.15933E-01 -0.96914E-02 4712 0.761E-01 0.105E+00 RMM: 3 -0.330610262005E+03 0.76926E-02 -0.12174E-02 5521 0.231E-01 0.161E-01 RMM: 4 -0.330610034104E+03 0.22790E-03 -0.87342E-04 5198 0.569E-02 0.666E-02 RMM: 5 -0.330610011110E+03 0.22994E-04 -0.88076E-05 3641 0.277E-02 0.651E-02 RMM: 6 -0.330609988351E+03 0.22759E-04 -0.25086E-05 2568 0.154E-02 0.372E-02 RMM: 7 -0.330609996431E+03 -0.80801E-05 -0.16514E-05 2511 0.125E-02 4231 T= 6004. E= 0.67531930E+03 F= 0.62565899E+03 E0= 0.65413178E+03 EK= 0.48893E+02 SP= 0.62E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330320746426E+03 0.28924E+00 -0.93142E-02 7704 0.226E+01 0.262E-01 RMM: 2 -0.330337770262E+03 -0.17024E-01 -0.78371E-02 4881 0.704E-01 0.128E+00 RMM: 3 -0.330326773599E+03 0.10997E-01 -0.10861E-02 5389 0.241E-01 0.259E-01 RMM: 4 -0.330326332605E+03 0.44099E-03 -0.11080E-03 4687 0.704E-02 0.106E-01 RMM: 5 -0.330326365454E+03 -0.32850E-04 -0.19598E-04 3883 0.374E-02 0.128E-01 RMM: 6 -0.330326250873E+03 0.11458E-03 -0.61343E-05 3346 0.235E-02 0.284E-02 RMM: 7 -0.330326248131E+03 0.27416E-05 -0.13590E-05 2503 0.114E-02 4232 T= 5940. E= 0.67531993E+03 F= 0.62594274E+03 E0= 0.65439955E+03 EK= 0.48370E+02 SP= 0.88E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330128158191E+03 0.19809E+00 -0.93052E-02 7864 0.226E+01 0.185E-01 RMM: 2 -0.330139442381E+03 -0.11284E-01 -0.66872E-02 4939 0.634E-01 0.917E-01 RMM: 3 -0.330133656575E+03 0.57858E-02 -0.81200E-03 5445 0.196E-01 0.154E-01 RMM: 4 -0.330133482689E+03 0.17389E-03 -0.60637E-04 4813 0.502E-02 0.687E-02 RMM: 5 -0.330133457516E+03 0.25173E-04 -0.71421E-05 3496 0.238E-02 0.652E-02 RMM: 6 -0.330133431350E+03 0.26165E-04 -0.24549E-05 2563 0.153E-02 0.323E-02 RMM: 7 -0.330133433573E+03 -0.22229E-05 -0.13314E-05 2490 0.111E-02 4233 T= 5889. E= 0.67532057E+03 F= 0.62613556E+03 E0= 0.65458364E+03 EK= 0.47961E+02 SP= 0.11E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330022985398E+03 0.11045E+00 -0.94567E-02 7824 0.226E+01 0.147E-01 RMM: 2 -0.330031775544E+03 -0.87901E-02 -0.69977E-02 4953 0.641E-01 0.643E-01 RMM: 3 -0.330028916349E+03 0.28592E-02 -0.78348E-03 5659 0.172E-01 0.130E-01 RMM: 4 -0.330028747567E+03 0.16878E-03 -0.44479E-04 4484 0.467E-02 0.784E-02 RMM: 5 -0.330028719896E+03 0.27671E-04 -0.63360E-05 3337 0.238E-02 0.583E-02 RMM: 6 -0.330028700377E+03 0.19519E-04 -0.21578E-05 2535 0.144E-02 4234 T= 5853. E= 0.67532069E+03 F= 0.62624029E+03 E0= 0.65468720E+03 EK= 0.47661E+02 SP= 0.13E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330000847256E+03 0.27873E-01 -0.92436E-02 7688 0.226E+01 0.142E-01 RMM: 2 -0.330009181967E+03 -0.83347E-02 -0.63531E-02 5091 0.603E-01 0.658E-01 RMM: 3 -0.330006282346E+03 0.28996E-02 -0.66245E-03 5644 0.157E-01 0.145E-01 RMM: 4 -0.330006086324E+03 0.19602E-03 -0.38827E-04 4278 0.446E-02 0.717E-02 RMM: 5 -0.330006050293E+03 0.36031E-04 -0.50818E-05 3178 0.207E-02 0.559E-02 RMM: 6 -0.330006035951E+03 0.14342E-04 -0.20374E-05 2514 0.139E-02 4235 T= 5829. E= 0.67532113E+03 F= 0.62626295E+03 E0= 0.65471509E+03 EK= 0.47468E+02 SP= 0.15E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330058316591E+03 -0.52266E-01 -0.89880E-02 7712 0.226E+01 0.227E-01 RMM: 2 -0.330074145185E+03 -0.15829E-01 -0.55904E-02 5197 0.586E-01 0.130E+00 RMM: 3 -0.330062536925E+03 0.11608E-01 -0.74006E-03 5345 0.202E-01 0.204E-01 RMM: 4 -0.330062243098E+03 0.29383E-03 -0.77761E-04 4637 0.569E-02 0.647E-02 RMM: 5 -0.330062221604E+03 0.21494E-04 -0.84118E-05 3734 0.232E-02 0.631E-02 RMM: 6 -0.330062199377E+03 0.22227E-04 -0.18695E-05 2543 0.131E-02 0.386E-02 RMM: 7 -0.330062204450E+03 -0.50735E-05 -0.17633E-05 2507 0.131E-02 4236 T= 5818. E= 0.67532135E+03 F= 0.62620678E+03 E0= 0.65466892E+03 EK= 0.47376E+02 SP= 0.17E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330194030829E+03 -0.13183E+00 -0.95927E-02 7640 0.227E+01 0.226E-01 RMM: 2 -0.330206839569E+03 -0.12809E-01 -0.63836E-02 5070 0.619E-01 0.108E+00 RMM: 3 -0.330198979488E+03 0.78601E-02 -0.82291E-03 5363 0.206E-01 0.223E-01 RMM: 4 -0.330198699927E+03 0.27956E-03 -0.92529E-04 4639 0.659E-02 0.114E-01 RMM: 5 -0.330198699426E+03 0.50036E-06 -0.15323E-04 3864 0.317E-02 4237 T= 5819. E= 0.67532352E+03 F= 0.62607029E+03 E0= 0.65454510E+03 EK= 0.47390E+02 SP= 0.18E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330416143108E+03 -0.21744E+00 -0.93954E-02 7584 0.228E+01 0.173E-01 RMM: 2 -0.330427963245E+03 -0.11820E-01 -0.59522E-02 5211 0.583E-01 0.101E+00 RMM: 3 -0.330421016813E+03 0.69464E-02 -0.61816E-03 5382 0.171E-01 0.159E-01 RMM: 4 -0.330420852038E+03 0.16477E-03 -0.52746E-04 4698 0.462E-02 0.735E-02 RMM: 5 -0.330420801761E+03 0.50277E-04 -0.59548E-05 3332 0.213E-02 0.559E-02 RMM: 6 -0.330420787892E+03 0.13870E-04 -0.23768E-05 2535 0.146E-02 4238 T= 5835. E= 0.67532602E+03 F= 0.62584820E+03 E0= 0.65433702E+03 EK= 0.47514E+02 SP= 0.19E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330728928753E+03 -0.30813E+00 -0.95213E-02 7320 0.229E+01 0.183E-01 RMM: 2 -0.330739870773E+03 -0.10942E-01 -0.51843E-02 5111 0.553E-01 0.994E-01 RMM: 3 -0.330733121730E+03 0.67490E-02 -0.62579E-03 5365 0.177E-01 0.179E-01 RMM: 4 -0.330732910873E+03 0.21086E-03 -0.60657E-04 4598 0.503E-02 0.705E-02 RMM: 5 -0.330732880884E+03 0.29989E-04 -0.69385E-05 3487 0.222E-02 0.598E-02 RMM: 6 -0.330732861751E+03 0.19133E-04 -0.19397E-05 2531 0.136E-02 4239 T= 5863. E= 0.67532687E+03 F= 0.62553613E+03 E0= 0.65403810E+03 EK= 0.47748E+02 SP= 0.20E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331131206810E+03 -0.39833E+00 -0.98444E-02 7344 0.230E+01 0.319E-01 RMM: 2 -0.331160041321E+03 -0.28835E-01 -0.72738E-02 5113 0.688E-01 0.183E+00 RMM: 3 -0.331136308956E+03 0.23732E-01 -0.11999E-02 5332 0.272E-01 0.300E-01 RMM: 4 -0.331135650354E+03 0.65860E-03 -0.14482E-03 4731 0.803E-02 0.789E-02 RMM: 5 -0.331135646061E+03 0.42922E-05 -0.16449E-04 3899 0.299E-02 4240 T= 5906. E= 0.67532768E+03 F= 0.62513334E+03 E0= 0.65364647E+03 EK= 0.48095E+02 SP= 0.21E+01 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331613068268E+03 -0.47742E+00 -0.10114E-01 7448 0.231E+01 0.146E-01 RMM: 2 -0.331623901675E+03 -0.10833E-01 -0.61908E-02 5113 0.583E-01 0.858E-01 RMM: 3 -0.331618480327E+03 0.54213E-02 -0.65716E-03 5412 0.172E-01 0.170E-01 RMM: 4 -0.331618287402E+03 0.19293E-03 -0.55225E-04 4414 0.489E-02 0.811E-02 RMM: 5 -0.331618242101E+03 0.45301E-04 -0.70214E-05 3446 0.239E-02 0.545E-02 RMM: 6 -0.331618226912E+03 0.15189E-04 -0.19894E-05 2519 0.133E-02 4241 T= 5961. E= 0.67532732E+03 F= 0.62465076E+03 E0= 0.65317324E+03 EK= 0.48540E+02 SP= 0.21E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332150015392E+03 -0.53177E+00 -0.10202E-01 7528 0.232E+01 0.199E-01 RMM: 2 -0.332161502429E+03 -0.11487E-01 -0.61901E-02 4959 0.617E-01 0.987E-01 RMM: 3 -0.332154955318E+03 0.65471E-02 -0.73669E-03 5361 0.191E-01 0.190E-01 RMM: 4 -0.332154717645E+03 0.23767E-03 -0.71136E-04 4621 0.572E-02 0.807E-02 RMM: 5 -0.332154692067E+03 0.25578E-04 -0.98746E-05 3752 0.252E-02 0.743E-02 RMM: 6 -0.332154659079E+03 0.32988E-04 -0.25157E-05 2619 0.158E-02 0.324E-02 RMM: 7 -0.332154661784E+03 -0.27055E-05 -0.13602E-05 2485 0.114E-02 4242 T= 6024. E= 0.67532516E+03 F= 0.62411433E+03 E0= 0.65264427E+03 EK= 0.49056E+02 SP= 0.22E+01 SK= 0.23E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332701893232E+03 -0.54723E+00 -0.10577E-01 7656 0.233E+01 0.207E-01 RMM: 2 -0.332713044752E+03 -0.11152E-01 -0.66950E-02 5009 0.643E-01 0.934E-01 RMM: 3 -0.332707204029E+03 0.58407E-02 -0.80751E-03 5377 0.196E-01 0.181E-01 RMM: 4 -0.332707030909E+03 0.17312E-03 -0.75969E-04 4642 0.590E-02 0.114E-01 RMM: 5 -0.332706966029E+03 0.64880E-04 -0.12768E-04 3848 0.299E-02 0.791E-02 RMM: 6 -0.332706924051E+03 0.41978E-04 -0.32903E-05 2916 0.179E-02 0.266E-02 RMM: 7 -0.332706923917E+03 0.13352E-06 -0.11909E-05 2479 0.108E-02 4243 T= 6091. E= 0.67532222E+03 F= 0.62356207E+03 E0= 0.65209854E+03 EK= 0.49604E+02 SP= 0.22E+01 SK= 0.81E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.333221259691E+03 -0.51434E+00 -0.10885E-01 7760 0.234E+01 0.161E-01 RMM: 2 -0.333231486467E+03 -0.10227E-01 -0.74710E-02 4902 0.671E-01 0.758E-01 RMM: 3 -0.333227588977E+03 0.38975E-02 -0.86506E-03 5625 0.183E-01 0.141E-01 RMM: 4 -0.333227393307E+03 0.19567E-03 -0.52227E-04 4629 0.507E-02 0.769E-02 RMM: 5 -0.333227352975E+03 0.40332E-04 -0.74756E-05 3497 0.247E-02 0.584E-02 RMM: 6 -0.333227333210E+03 0.19765E-04 -0.22267E-05 2527 0.143E-02 4244 T= 6156. E= 0.67531915E+03 F= 0.62304166E+03 E0= 0.65158377E+03 EK= 0.50135E+02 SP= 0.21E+01 SK= 0.86E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333657804399E+03 -0.43045E+00 -0.10920E-01 7752 0.235E+01 0.187E-01 RMM: 2 -0.333669667933E+03 -0.11864E-01 -0.70546E-02 4877 0.661E-01 0.949E-01 RMM: 3 -0.333663683278E+03 0.59847E-02 -0.87261E-03 5417 0.201E-01 0.178E-01 RMM: 4 -0.333663457193E+03 0.22608E-03 -0.67098E-04 4805 0.525E-02 0.662E-02 RMM: 5 -0.333663425992E+03 0.31201E-04 -0.75715E-05 3512 0.250E-02 0.566E-02 RMM: 6 -0.333663410569E+03 0.15423E-04 -0.21581E-05 2529 0.139E-02 4245 T= 6213. E= 0.67531616E+03 F= 0.62260558E+03 E0= 0.65115403E+03 EK= 0.50594E+02 SP= 0.21E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333957762639E+03 -0.29434E+00 -0.11109E-01 7400 0.236E+01 0.282E-01 RMM: 2 -0.333982235993E+03 -0.24473E-01 -0.87153E-02 4788 0.752E-01 0.161E+00 RMM: 3 -0.333964513743E+03 0.17722E-01 -0.12801E-02 5342 0.268E-01 0.255E-01 RMM: 4 -0.333964049597E+03 0.46415E-03 -0.13612E-03 4787 0.750E-02 0.800E-02 RMM: 5 -0.333964035139E+03 0.14458E-04 -0.16048E-04 3966 0.301E-02 4246 T= 6254. E= 0.67531433E+03 F= 0.62230495E+03 E0= 0.65086002E+03 EK= 0.50930E+02 SP= 0.21E+01 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334078467620E+03 -0.11442E+00 -0.11234E-01 7776 0.236E+01 0.175E-01 RMM: 2 -0.334091470974E+03 -0.13003E-01 -0.72272E-02 4874 0.650E-01 0.991E-01 RMM: 3 -0.334084731985E+03 0.67390E-02 -0.89192E-03 5422 0.203E-01 0.191E-01 RMM: 4 -0.334084475670E+03 0.25632E-03 -0.74208E-04 4626 0.575E-02 0.775E-02 RMM: 5 -0.334084448302E+03 0.27368E-04 -0.95227E-05 3752 0.258E-02 0.649E-02 RMM: 6 -0.334084425489E+03 0.22813E-04 -0.22297E-05 2545 0.141E-02 0.423E-02 RMM: 7 -0.334084433979E+03 -0.84903E-05 -0.25030E-05 2583 0.151E-02 4247 T= 6274. E= 0.67531334E+03 F= 0.62218456E+03 E0= 0.65074635E+03 EK= 0.51095E+02 SP= 0.20E+01 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333985631406E+03 0.98794E-01 -0.11385E-01 7552 0.236E+01 0.208E-01 RMM: 2 -0.333998418941E+03 -0.12788E-01 -0.84241E-02 4718 0.711E-01 0.938E-01 RMM: 3 -0.333992481394E+03 0.59375E-02 -0.10385E-02 5556 0.208E-01 0.174E-01 RMM: 4 -0.333992287537E+03 0.19386E-03 -0.79993E-04 4730 0.617E-02 0.115E-01 RMM: 5 -0.333992240475E+03 0.47061E-04 -0.12985E-04 3801 0.300E-02 0.843E-02 RMM: 6 -0.333992195236E+03 0.45239E-04 -0.36827E-05 2987 0.184E-02 0.213E-02 RMM: 7 -0.333992200695E+03 -0.54587E-05 -0.12850E-05 2492 0.116E-02 4248 T= 6270. E= 0.67531266E+03 F= 0.62227679E+03 E0= 0.65084437E+03 EK= 0.51056E+02 SP= 0.20E+01 SK= 0.74E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333661111814E+03 0.33108E+00 -0.11932E-01 7832 0.236E+01 0.125E-01 RMM: 2 -0.333672771166E+03 -0.11659E-01 -0.10256E-01 4702 0.761E-01 0.574E-01 RMM: 3 -0.333670235056E+03 0.25361E-02 -0.11874E-02 6032 0.194E-01 0.111E-01 RMM: 4 -0.333670017084E+03 0.21797E-03 -0.54364E-04 4593 0.579E-02 0.821E-02 RMM: 5 -0.333669966070E+03 0.51015E-04 -0.72355E-05 3403 0.269E-02 0.418E-02 RMM: 6 -0.333669959603E+03 0.64672E-05 -0.21300E-05 2512 0.133E-02 4249 T= 6238. E= 0.67531360E+03 F= 0.62259903E+03 E0= 0.65117024E+03 EK= 0.50798E+02 SP= 0.19E+01 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333111789272E+03 0.55818E+00 -0.11124E-01 7616 0.234E+01 0.158E-01 RMM: 2 -0.333124275792E+03 -0.12487E-01 -0.85979E-02 4739 0.708E-01 0.836E-01 RMM: 3 -0.333119296723E+03 0.49791E-02 -0.10529E-02 5635 0.201E-01 0.166E-01 RMM: 4 -0.333119022186E+03 0.27454E-03 -0.60152E-04 4752 0.539E-02 0.610E-02 RMM: 5 -0.333119004455E+03 0.17731E-04 -0.77339E-05 3527 0.249E-02 4250 T= 6179. E= 0.67531642E+03 F= 0.62314998E+03 E0= 0.65172214E+03 EK= 0.50321E+02 SP= 0.18E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332356703462E+03 0.76232E+00 -0.10604E-01 7704 0.233E+01 0.167E-01 RMM: 2 -0.332368208556E+03 -0.11505E-01 -0.67077E-02 4906 0.627E-01 0.910E-01 RMM: 3 -0.332362339713E+03 0.58688E-02 -0.77848E-03 5456 0.185E-01 0.183E-01 RMM: 4 -0.332362078854E+03 0.26086E-03 -0.60345E-04 4620 0.547E-02 0.699E-02 RMM: 5 -0.332362049410E+03 0.29444E-04 -0.68294E-05 3506 0.212E-02 0.615E-02 RMM: 6 -0.332362037608E+03 0.11802E-04 -0.21490E-05 2525 0.144E-02 4251 T= 6097. E= 0.67532066E+03 F= 0.62390695E+03 E0= 0.65247518E+03 EK= 0.49651E+02 SP= 0.17E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331436657262E+03 0.92539E+00 -0.11201E-01 7456 0.231E+01 0.285E-01 RMM: 2 -0.331457689287E+03 -0.21032E-01 -0.10427E-01 4759 0.787E-01 0.135E+00 RMM: 3 -0.331444951558E+03 0.12738E-01 -0.14801E-02 5367 0.277E-01 0.236E-01 RMM: 4 -0.331444591483E+03 0.36007E-03 -0.14541E-03 5056 0.708E-02 0.814E-02 RMM: 5 -0.331444590271E+03 0.12120E-05 -0.16045E-04 3955 0.325E-02 4252 T= 5997. E= 0.67532716E+03 F= 0.62482440E+03 E0= 0.65338377E+03 EK= 0.48836E+02 SP= 0.16E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330428335768E+03 0.10163E+01 -0.10475E-01 7600 0.229E+01 0.226E-01 RMM: 2 -0.330444687214E+03 -0.16351E-01 -0.75202E-02 4976 0.653E-01 0.121E+00 RMM: 3 -0.330434535207E+03 0.10152E-01 -0.97747E-03 5381 0.222E-01 0.211E-01 RMM: 4 -0.330434215399E+03 0.31981E-03 -0.92777E-04 4704 0.622E-02 0.936E-02 RMM: 5 -0.330434166057E+03 0.49342E-04 -0.11214E-04 3897 0.273E-02 0.699E-02 RMM: 6 -0.330434139468E+03 0.26589E-04 -0.29601E-05 2675 0.166E-02 0.397E-02 RMM: 7 -0.330434155002E+03 -0.15534E-04 -0.26190E-05 2567 0.148E-02 4253 T= 5888. E= 0.67533492E+03 F= 0.62583483E+03 E0= 0.65437899E+03 EK= 0.47945E+02 SP= 0.15E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329409657262E+03 0.10245E+01 -0.10999E-01 7456 0.227E+01 0.171E-01 RMM: 2 -0.329421147734E+03 -0.11490E-01 -0.83101E-02 4786 0.695E-01 0.791E-01 RMM: 3 -0.329416722695E+03 0.44250E-02 -0.99388E-03 5713 0.191E-01 0.150E-01 RMM: 4 -0.329416524637E+03 0.19806E-03 -0.62345E-04 4634 0.576E-02 0.109E-01 RMM: 5 -0.329416465787E+03 0.58850E-04 -0.10374E-04 3668 0.281E-02 0.690E-02 RMM: 6 -0.329416435263E+03 0.30524E-04 -0.27014E-05 2700 0.161E-02 0.184E-02 RMM: 7 -0.329416437263E+03 -0.19994E-05 -0.10246E-05 2470 0.104E-02 4254 T= 5780. E= 0.67534226E+03 F= 0.62685255E+03 E0= 0.65537603E+03 EK= 0.47065E+02 SP= 0.14E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328480667440E+03 0.93577E+00 -0.10386E-01 7776 0.224E+01 0.193E-01 RMM: 2 -0.328492260545E+03 -0.11593E-01 -0.71434E-02 5089 0.650E-01 0.937E-01 RMM: 3 -0.328486416325E+03 0.58442E-02 -0.81917E-03 5501 0.190E-01 0.168E-01 RMM: 4 -0.328486186884E+03 0.22944E-03 -0.61521E-04 4771 0.517E-02 0.771E-02 RMM: 5 -0.328486136987E+03 0.49898E-04 -0.74573E-05 3618 0.231E-02 0.611E-02 RMM: 6 -0.328486116348E+03 0.20639E-04 -0.20699E-05 2531 0.137E-02 0.360E-02 RMM: 7 -0.328486111279E+03 0.50683E-05 -0.18309E-05 2497 0.126E-02 4255 T= 5685. E= 0.67534929E+03 F= 0.62778288E+03 E0= 0.65628049E+03 EK= 0.46294E+02 SP= 0.12E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327731150690E+03 0.75497E+00 -0.98808E-02 7752 0.223E+01 0.151E-01 RMM: 2 -0.327739798820E+03 -0.86481E-02 -0.63266E-02 5046 0.601E-01 0.695E-01 RMM: 3 -0.327736456253E+03 0.33426E-02 -0.68595E-03 5699 0.159E-01 0.139E-01 RMM: 4 -0.327736270173E+03 0.18608E-03 -0.41692E-04 4349 0.461E-02 0.727E-02 RMM: 5 -0.327736249000E+03 0.21173E-04 -0.62286E-05 3363 0.225E-02 0.604E-02 RMM: 6 -0.327736228584E+03 0.20416E-04 -0.21090E-05 2538 0.144E-02 0.285E-02 RMM: 7 -0.327736232636E+03 -0.40519E-05 -0.12566E-05 2479 0.110E-02 4256 T= 5615. E= 0.67535513E+03 F= 0.62853276E+03 E0= 0.65700084E+03 EK= 0.45728E+02 SP= 0.10E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327243019453E+03 0.49321E+00 -0.95728E-02 7720 0.222E+01 0.182E-01 RMM: 2 -0.327252557773E+03 -0.95383E-02 -0.67123E-02 5073 0.624E-01 0.793E-01 RMM: 3 -0.327248416082E+03 0.41417E-02 -0.75975E-03 5640 0.173E-01 0.146E-01 RMM: 4 -0.327248250045E+03 0.16604E-03 -0.54257E-04 4603 0.517E-02 0.109E-01 RMM: 5 -0.327248182790E+03 0.67255E-04 -0.88143E-05 3608 0.249E-02 0.668E-02 RMM: 6 -0.327248154910E+03 0.27880E-04 -0.24240E-05 2590 0.155E-02 0.260E-02 RMM: 7 -0.327248154694E+03 0.21578E-06 -0.11172E-05 2472 0.101E-02 4257 T= 5581. E= 0.67535955E+03 F= 0.62902083E+03 E0= 0.65745705E+03 EK= 0.45449E+02 SP= 0.76E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327075016949E+03 0.17314E+00 -0.95595E-02 7688 0.221E+01 0.136E-01 RMM: 2 -0.327083843555E+03 -0.88266E-02 -0.73803E-02 4977 0.643E-01 0.593E-01 RMM: 3 -0.327081409974E+03 0.24336E-02 -0.82015E-03 5888 0.162E-01 0.125E-01 RMM: 4 -0.327081194561E+03 0.21541E-03 -0.39586E-04 4371 0.471E-02 0.726E-02 RMM: 5 -0.327081165677E+03 0.28884E-04 -0.56921E-05 3280 0.223E-02 0.552E-02 RMM: 6 -0.327081149029E+03 0.16648E-04 -0.19773E-05 2515 0.137E-02 4258 T= 5590. E= 0.67536176E+03 F= 0.62918784E+03 E0= 0.65759193E+03 EK= 0.45519E+02 SP= 0.48E+00 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327256667833E+03 -0.17550E+00 -0.91147E-02 7632 0.222E+01 0.158E-01 RMM: 2 -0.327266101665E+03 -0.94338E-02 -0.67129E-02 5079 0.611E-01 0.743E-01 RMM: 3 -0.327262275091E+03 0.38266E-02 -0.74537E-03 5573 0.170E-01 0.137E-01 RMM: 4 -0.327262092804E+03 0.18229E-03 -0.47242E-04 4503 0.451E-02 0.671E-02 RMM: 5 -0.327262063988E+03 0.28816E-04 -0.54684E-05 3117 0.218E-02 0.535E-02 RMM: 6 -0.327262049893E+03 0.14094E-04 -0.21126E-05 2518 0.141E-02 4259 T= 5645. E= 0.67536126E+03 F= 0.62900694E+03 E0= 0.65737992E+03 EK= 0.45966E+02 SP= 0.18E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327775824829E+03 -0.51376E+00 -0.89268E-02 7632 0.224E+01 0.237E-01 RMM: 2 -0.327792794749E+03 -0.16970E-01 -0.59529E-02 5219 0.596E-01 0.134E+00 RMM: 3 -0.327780259909E+03 0.12535E-01 -0.77951E-03 5364 0.208E-01 0.214E-01 RMM: 4 -0.327779914016E+03 0.34589E-03 -0.88734E-04 4631 0.617E-02 0.706E-02 RMM: 5 -0.327779906356E+03 0.76595E-05 -0.10699E-04 3864 0.252E-02 4260 T= 5745. E= 0.67535835E+03 F= 0.62848908E+03 E0= 0.65683357E+03 EK= 0.46780E+02 SP= -.16E+00 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328583335056E+03 -0.80342E+00 -0.87977E-02 7672 0.227E+01 0.125E-01 RMM: 2 -0.328591285983E+03 -0.79509E-02 -0.58169E-02 5187 0.557E-01 0.632E-01 RMM: 3 -0.328588342861E+03 0.29431E-02 -0.55991E-03 5512 0.150E-01 0.146E-01 RMM: 4 -0.328588191731E+03 0.15113E-03 -0.41623E-04 4148 0.439E-02 0.755E-02 RMM: 5 -0.328588156726E+03 0.35005E-04 -0.55476E-05 3262 0.215E-02 0.560E-02 RMM: 6 -0.328588141063E+03 0.15663E-04 -0.18026E-05 2509 0.128E-02 4261 T= 5884. E= 0.67535297E+03 F= 0.62768085E+03 E0= 0.65600141E+03 EK= 0.47914E+02 SP= -.53E+00 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329603134082E+03 -0.10150E+01 -0.91526E-02 7640 0.230E+01 0.209E-01 RMM: 2 -0.329615695306E+03 -0.12561E-01 -0.70932E-02 5064 0.643E-01 0.101E+00 RMM: 3 -0.329608759802E+03 0.69355E-02 -0.82205E-03 5448 0.195E-01 0.181E-01 RMM: 4 -0.329608502740E+03 0.25706E-03 -0.71074E-04 4688 0.554E-02 0.813E-02 RMM: 5 -0.329608479460E+03 0.23281E-04 -0.10126E-04 3789 0.268E-02 0.677E-02 RMM: 6 -0.329608449573E+03 0.29886E-04 -0.22312E-05 2580 0.145E-02 0.282E-02 RMM: 7 -0.329608449507E+03 0.66198E-07 -0.10761E-05 2473 0.104E-02 4262 T= 6053. E= 0.67534592E+03 F= 0.62666054E+03 E0= 0.65496212E+03 EK= 0.49288E+02 SP= -.93E+00 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330737372402E+03 -0.11289E+01 -0.92060E-02 7568 0.234E+01 0.175E-01 RMM: 2 -0.330746770118E+03 -0.93977E-02 -0.61757E-02 5107 0.611E-01 0.801E-01 RMM: 3 -0.330742498229E+03 0.42719E-02 -0.67525E-03 5540 0.171E-01 0.161E-01 RMM: 4 -0.330742349985E+03 0.14824E-03 -0.59049E-04 4581 0.549E-02 0.119E-01 RMM: 5 -0.330742261566E+03 0.88419E-04 -0.11418E-04 3822 0.296E-02 0.618E-02 RMM: 6 -0.330742235650E+03 0.25916E-04 -0.25344E-05 2700 0.158E-02 0.279E-02 RMM: 7 -0.330742234695E+03 0.95553E-06 -0.12091E-05 2480 0.109E-02 4263 T= 6239. E= 0.67533855E+03 F= 0.62552675E+03 E0= 0.65381476E+03 EK= 0.50803E+02 SP= -.13E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331877434474E+03 -0.11352E+01 -0.95226E-02 7632 0.238E+01 0.170E-01 RMM: 2 -0.331888255576E+03 -0.10821E-01 -0.74654E-02 4998 0.663E-01 0.826E-01 RMM: 3 -0.331883685682E+03 0.45699E-02 -0.83842E-03 5645 0.183E-01 0.136E-01 RMM: 4 -0.331883509037E+03 0.17664E-03 -0.51635E-04 4648 0.483E-02 0.850E-02 RMM: 5 -0.331883455871E+03 0.53166E-04 -0.76935E-05 3591 0.254E-02 0.528E-02 RMM: 6 -0.331883440013E+03 0.15858E-04 -0.20820E-05 2539 0.136E-02 4264 T= 6428. E= 0.67533127E+03 F= 0.62438555E+03 E0= 0.65266550E+03 EK= 0.52347E+02 SP= -.18E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332921688467E+03 -0.10382E+01 -0.10039E-01 7440 0.241E+01 0.148E-01 RMM: 2 -0.332933194911E+03 -0.11506E-01 -0.90976E-02 4927 0.715E-01 0.705E-01 RMM: 3 -0.332929711178E+03 0.34837E-02 -0.10256E-02 5782 0.187E-01 0.134E-01 RMM: 4 -0.332929471921E+03 0.23926E-03 -0.49478E-04 4549 0.507E-02 0.748E-02 RMM: 5 -0.332929426675E+03 0.45246E-04 -0.64104E-05 3341 0.237E-02 0.507E-02 RMM: 6 -0.332929417277E+03 0.93981E-05 -0.18970E-05 2509 0.129E-02 4265 T= 6608. E= 0.67532525E+03 F= 0.62333957E+03 E0= 0.65161785E+03 EK= 0.53811E+02 SP= -.22E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333788790734E+03 -0.85936E+00 -0.10211E-01 7288 0.245E+01 0.239E-01 RMM: 2 -0.333807223701E+03 -0.18433E-01 -0.80360E-02 5009 0.706E-01 0.132E+00 RMM: 3 -0.333795255769E+03 0.11968E-01 -0.10254E-02 5402 0.228E-01 0.232E-01 RMM: 4 -0.333794848967E+03 0.40680E-03 -0.10110E-03 4674 0.668E-02 0.763E-02 RMM: 5 -0.333794821724E+03 0.27243E-04 -0.13203E-04 3882 0.290E-02 0.758E-02 RMM: 6 -0.333794785636E+03 0.36088E-04 -0.25818E-05 2595 0.157E-02 0.382E-02 RMM: 7 -0.333794783166E+03 0.24700E-05 -0.14047E-05 2487 0.120E-02 4266 T= 6767. E= 0.67532087E+03 F= 0.62247421E+03 E0= 0.65075730E+03 EK= 0.55104E+02 SP= -.26E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334410603011E+03 -0.61582E+00 -0.10706E-01 7296 0.247E+01 0.182E-01 RMM: 2 -0.334424722796E+03 -0.14120E-01 -0.95330E-02 4865 0.748E-01 0.914E-01 RMM: 3 -0.334418875102E+03 0.58477E-02 -0.11032E-02 5600 0.208E-01 0.179E-01 RMM: 4 -0.334418601452E+03 0.27365E-03 -0.80803E-04 4677 0.650E-02 0.101E-01 RMM: 5 -0.334418539419E+03 0.62032E-04 -0.12313E-04 3794 0.292E-02 0.659E-02 RMM: 6 -0.334418512690E+03 0.26729E-04 -0.25216E-05 2596 0.152E-02 0.305E-02 RMM: 7 -0.334418511504E+03 0.11857E-05 -0.14996E-05 2482 0.124E-02 4267 T= 6896. E= 0.67531862E+03 F= 0.62185048E+03 E0= 0.65014404E+03 EK= 0.56155E+02 SP= -.30E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334761990495E+03 -0.34348E+00 -0.10612E-01 7384 0.249E+01 0.153E-01 RMM: 2 -0.334772226679E+03 -0.10236E-01 -0.80270E-02 4915 0.689E-01 0.710E-01 RMM: 3 -0.334768925863E+03 0.33008E-02 -0.92689E-03 5823 0.183E-01 0.120E-01 RMM: 4 -0.334768756947E+03 0.16892E-03 -0.45067E-04 4572 0.491E-02 0.950E-02 RMM: 5 -0.334768690028E+03 0.66919E-04 -0.71362E-05 3462 0.245E-02 0.531E-02 RMM: 6 -0.334768676560E+03 0.13467E-04 -0.21880E-05 2534 0.140E-02 4268 T= 6990. E= 0.67531873E+03 F= 0.62150031E+03 E0= 0.64980965E+03 EK= 0.56926E+02 SP= -.34E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334835267687E+03 -0.66578E-01 -0.11106E-01 7392 0.250E+01 0.187E-01 RMM: 2 -0.334848886714E+03 -0.13619E-01 -0.82331E-02 4900 0.700E-01 0.983E-01 RMM: 3 -0.334842234746E+03 0.66520E-02 -0.99075E-03 5491 0.210E-01 0.141E-01 RMM: 4 -0.334842075113E+03 0.15963E-03 -0.68547E-04 4836 0.535E-02 0.733E-02 RMM: 5 -0.334842033111E+03 0.42002E-04 -0.74746E-05 3625 0.241E-02 0.534E-02 RMM: 6 -0.334842020573E+03 0.12539E-04 -0.18802E-05 2519 0.129E-02 4269 T= 7049. E= 0.67532089E+03 F= 0.62142697E+03 E0= 0.64975666E+03 EK= 0.57406E+02 SP= -.38E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334654022387E+03 0.18801E+00 -0.11556E-01 7248 0.251E+01 0.249E-01 RMM: 2 -0.334673496559E+03 -0.19474E-01 -0.94317E-02 4830 0.771E-01 0.132E+00 RMM: 3 -0.334661826292E+03 0.11670E-01 -0.12480E-02 5418 0.250E-01 0.243E-01 RMM: 4 -0.334661369092E+03 0.45720E-03 -0.11334E-03 4700 0.697E-02 0.798E-02 RMM: 5 -0.334661350402E+03 0.18690E-04 -0.14175E-04 3906 0.305E-02 4270 T= 7075. E= 0.67532534E+03 F= 0.62160764E+03 E0= 0.64996123E+03 EK= 0.57615E+02 SP= -.41E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334261259174E+03 0.40011E+00 -0.11808E-01 7472 0.251E+01 0.161E-01 RMM: 2 -0.334273738845E+03 -0.12480E-01 -0.90230E-02 4858 0.722E-01 0.785E-01 RMM: 3 -0.334269402442E+03 0.43364E-02 -0.10760E-02 5605 0.207E-01 0.178E-01 RMM: 4 -0.334269108275E+03 0.29417E-03 -0.64942E-04 4636 0.562E-02 0.783E-02 RMM: 5 -0.334269075878E+03 0.32397E-04 -0.82035E-05 3681 0.247E-02 0.619E-02 RMM: 6 -0.334269058723E+03 0.17155E-04 -0.19730E-05 2513 0.134E-02 4271 T= 7072. E= 0.67533088E+03 F= 0.62199993E+03 E0= 0.65038123E+03 EK= 0.57589E+02 SP= -.45E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333710510270E+03 0.55857E+00 -0.12167E-01 7328 0.251E+01 0.239E-01 RMM: 2 -0.333728205696E+03 -0.17695E-01 -0.10758E-01 4709 0.808E-01 0.113E+00 RMM: 3 -0.333719462132E+03 0.87436E-02 -0.13539E-02 5432 0.253E-01 0.214E-01 RMM: 4 -0.333719121734E+03 0.34040E-03 -0.11160E-03 4804 0.679E-02 0.929E-02 RMM: 5 -0.333719110632E+03 0.11102E-04 -0.15324E-04 3901 0.336E-02 4272 T= 7046. E= 0.67533707E+03 F= 0.62254988E+03 E0= 0.65095968E+03 EK= 0.57383E+02 SP= -.48E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333058982256E+03 0.66014E+00 -0.12546E-01 7600 0.250E+01 0.227E-01 RMM: 2 -0.333078199657E+03 -0.19217E-01 -0.11780E-01 4870 0.825E-01 0.115E+00 RMM: 3 -0.333069266069E+03 0.89336E-02 -0.14631E-02 5484 0.248E-01 0.196E-01 RMM: 4 -0.333068959165E+03 0.30690E-03 -0.11024E-03 4928 0.674E-02 0.102E-01 RMM: 5 -0.333068894767E+03 0.64398E-04 -0.13444E-04 4350 0.298E-02 0.665E-02 RMM: 6 -0.333068872605E+03 0.22162E-04 -0.26811E-05 2561 0.158E-02 0.374E-02 RMM: 7 -0.333068881154E+03 -0.85491E-05 -0.23748E-05 2552 0.142E-02 4273 T= 7006. E= 0.67534261E+03 F= 0.62320011E+03 E0= 0.65163942E+03 EK= 0.57051E+02 SP= -.51E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332358712995E+03 0.71016E+00 -0.14019E-01 7496 0.249E+01 0.165E-01 RMM: 2 -0.332374508747E+03 -0.15796E-01 -0.12769E-01 4683 0.867E-01 0.789E-01 RMM: 3 -0.332369966034E+03 0.45427E-02 -0.14926E-02 5938 0.223E-01 0.133E-01 RMM: 4 -0.332369694299E+03 0.27174E-03 -0.72776E-04 4705 0.659E-02 0.112E-01 RMM: 5 -0.332369625513E+03 0.68786E-04 -0.10819E-04 3711 0.310E-02 0.519E-02 RMM: 6 -0.332369609252E+03 0.16260E-04 -0.24106E-05 2548 0.147E-02 4274 T= 6956. E= 0.67534718E+03 F= 0.62389938E+03 E0= 0.65236634E+03 EK= 0.56646E+02 SP= -.53E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331654192957E+03 0.71543E+00 -0.13317E-01 7480 0.248E+01 0.148E-01 RMM: 2 -0.331666893255E+03 -0.12700E-01 -0.10388E-01 4767 0.782E-01 0.704E-01 RMM: 3 -0.331663390329E+03 0.35029E-02 -0.12286E-02 5770 0.211E-01 0.135E-01 RMM: 4 -0.331663157214E+03 0.23312E-03 -0.56507E-04 4682 0.561E-02 0.867E-02 RMM: 5 -0.331663102546E+03 0.54668E-04 -0.81375E-05 3608 0.267E-02 0.549E-02 RMM: 6 -0.331663089304E+03 0.13242E-04 -0.21724E-05 2524 0.142E-02 4275 T= 6903. E= 0.67535116E+03 F= 0.62460590E+03 E0= 0.65309799E+03 EK= 0.56212E+02 SP= -.56E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330971720209E+03 0.69138E+00 -0.12869E-01 7360 0.247E+01 0.228E-01 RMM: 2 -0.330992066280E+03 -0.20346E-01 -0.94054E-02 4760 0.770E-01 0.136E+00 RMM: 3 -0.330979552132E+03 0.12514E-01 -0.12310E-02 5410 0.248E-01 0.214E-01 RMM: 4 -0.330979204072E+03 0.34806E-03 -0.10219E-03 4704 0.659E-02 0.650E-02 RMM: 5 -0.330979192076E+03 0.11995E-04 -0.11932E-04 4077 0.282E-02 4276 T= 6850. E= 0.67535520E+03 F= 0.62528980E+03 E0= 0.65380312E+03 EK= 0.55783E+02 SP= -.58E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330329045674E+03 0.65016E+00 -0.12442E-01 7512 0.247E+01 0.162E-01 RMM: 2 -0.330342535830E+03 -0.13490E-01 -0.95305E-02 4867 0.742E-01 0.841E-01 RMM: 3 -0.330337514371E+03 0.50215E-02 -0.11214E-02 5563 0.213E-01 0.178E-01 RMM: 4 -0.330337263575E+03 0.25080E-03 -0.69928E-04 4656 0.586E-02 0.925E-02 RMM: 5 -0.330337215613E+03 0.47962E-04 -0.91561E-05 3728 0.257E-02 0.692E-02 RMM: 6 -0.330337196254E+03 0.19359E-04 -0.25366E-05 2551 0.157E-02 4277 T= 6801. E= 0.67535839E+03 F= 0.62593179E+03 E0= 0.65446118E+03 EK= 0.55379E+02 SP= -.60E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329737656159E+03 0.59956E+00 -0.12501E-01 7400 0.246E+01 0.269E-01 RMM: 2 -0.329763775491E+03 -0.26119E-01 -0.11100E-01 4711 0.822E-01 0.156E+00 RMM: 3 -0.329746718790E+03 0.17057E-01 -0.14657E-02 5395 0.274E-01 0.239E-01 RMM: 4 -0.329746311108E+03 0.40768E-03 -0.13869E-03 4833 0.763E-02 0.923E-02 RMM: 5 -0.329746323482E+03 -0.12374E-04 -0.18134E-04 3938 0.327E-02 4278 T= 6755. E= 0.67536101E+03 F= 0.62652267E+03 E0= 0.65506228E+03 EK= 0.55012E+02 SP= -.63E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329199856906E+03 0.54645E+00 -0.12727E-01 7696 0.245E+01 0.246E-01 RMM: 2 -0.329225478844E+03 -0.25622E-01 -0.12072E-01 4714 0.849E-01 0.148E+00 RMM: 3 -0.329210210809E+03 0.15268E-01 -0.15827E-02 5405 0.278E-01 0.238E-01 RMM: 4 -0.329209824703E+03 0.38611E-03 -0.13790E-03 4985 0.741E-02 0.868E-02 RMM: 5 -0.329209775143E+03 0.49560E-04 -0.15360E-04 4324 0.313E-02 0.695E-02 RMM: 6 -0.329209749682E+03 0.25461E-04 -0.28306E-05 2562 0.157E-02 0.434E-02 RMM: 7 -0.329209758586E+03 -0.89042E-05 -0.34377E-05 2777 0.172E-02 4279 T= 6716. E= 0.67536281E+03 F= 0.62705923E+03 E0= 0.65560330E+03 EK= 0.54687E+02 SP= -.65E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328715617261E+03 0.49413E+00 -0.13662E-01 7632 0.244E+01 0.193E-01 RMM: 2 -0.328735602744E+03 -0.19985E-01 -0.14309E-01 4642 0.928E-01 0.102E+00 RMM: 3 -0.328728107972E+03 0.74948E-02 -0.16941E-02 5786 0.248E-01 0.152E-01 RMM: 4 -0.328727791010E+03 0.31696E-03 -0.91241E-04 5008 0.674E-02 0.969E-02 RMM: 5 -0.328727751594E+03 0.39417E-04 -0.12460E-04 4059 0.285E-02 0.688E-02 RMM: 6 -0.328727721077E+03 0.30517E-04 -0.26440E-05 2582 0.156E-02 0.203E-02 RMM: 7 -0.328727722333E+03 -0.12560E-05 -0.94324E-06 2477 0.101E-02 4280 T= 6681. E= 0.67536391E+03 F= 0.62754127E+03 E0= 0.65608399E+03 EK= 0.54407E+02 SP= -.67E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328294051380E+03 0.43367E+00 -0.12995E-01 7672 0.244E+01 0.146E-01 RMM: 2 -0.328307364342E+03 -0.13313E-01 -0.11563E-01 4741 0.823E-01 0.649E-01 RMM: 3 -0.328304259291E+03 0.31051E-02 -0.13708E-02 6044 0.213E-01 0.129E-01 RMM: 4 -0.328303964909E+03 0.29438E-03 -0.58238E-04 4700 0.588E-02 0.882E-02 RMM: 5 -0.328303910679E+03 0.54230E-04 -0.84016E-05 3582 0.276E-02 0.530E-02 RMM: 6 -0.328303897194E+03 0.13485E-04 -0.21701E-05 2523 0.137E-02 4281 T= 6653. E= 0.67536545E+03 F= 0.62796509E+03 E0= 0.65650164E+03 EK= 0.54176E+02 SP= -.68E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327937875823E+03 0.36603E+00 -0.12783E-01 7536 0.242E+01 0.172E-01 RMM: 2 -0.327951729688E+03 -0.13854E-01 -0.10343E-01 4823 0.774E-01 0.825E-01 RMM: 3 -0.327946818661E+03 0.49110E-02 -0.12048E-02 5697 0.213E-01 0.148E-01 RMM: 4 -0.327946548173E+03 0.27049E-03 -0.64478E-04 4948 0.545E-02 0.659E-02 RMM: 5 -0.327946525342E+03 0.22831E-04 -0.71498E-05 3360 0.247E-02 0.574E-02 RMM: 6 -0.327946512679E+03 0.12663E-04 -0.22082E-05 2520 0.147E-02 4282 T= 6632. E= 0.67536731E+03 F= 0.62832248E+03 E0= 0.65684999E+03 EK= 0.54006E+02 SP= -.70E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327659683100E+03 0.28684E+00 -0.12298E-01 7472 0.242E+01 0.272E-01 RMM: 2 -0.327679356264E+03 -0.19673E-01 -0.87897E-02 4863 0.740E-01 0.137E+00 RMM: 3 -0.327666632159E+03 0.12724E-01 -0.12641E-02 5380 0.262E-01 0.255E-01 RMM: 4 -0.327666172460E+03 0.45970E-03 -0.11857E-03 4771 0.705E-02 0.754E-02 RMM: 5 -0.327666173990E+03 -0.15305E-05 -0.13763E-04 3899 0.293E-02 4283 T= 6620. E= 0.67536995E+03 F= 0.62860282E+03 E0= 0.65712000E+03 EK= 0.53908E+02 SP= -.72E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327466731674E+03 0.19944E+00 -0.12281E-01 7592 0.241E+01 0.209E-01 RMM: 2 -0.327483280328E+03 -0.16549E-01 -0.82574E-02 4982 0.683E-01 0.117E+00 RMM: 3 -0.327473711179E+03 0.95691E-02 -0.98875E-03 5396 0.221E-01 0.228E-01 RMM: 4 -0.327473338229E+03 0.37295E-03 -0.88226E-04 4702 0.618E-02 0.802E-02 RMM: 5 -0.327473316189E+03 0.22040E-04 -0.10727E-04 3794 0.276E-02 0.721E-02 RMM: 6 -0.327473286250E+03 0.29939E-04 -0.25223E-05 2568 0.151E-02 0.425E-02 RMM: 7 -0.327473296436E+03 -0.10186E-04 -0.22427E-05 2566 0.142E-02 4284 T= 6618. E= 0.67537280E+03 F= 0.62879569E+03 E0= 0.65730173E+03 EK= 0.53893E+02 SP= -.74E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327374074186E+03 0.99212E-01 -0.11971E-01 7768 0.240E+01 0.203E-01 RMM: 2 -0.327386325459E+03 -0.12251E-01 -0.81970E-02 4752 0.699E-01 0.901E-01 RMM: 3 -0.327380762251E+03 0.55632E-02 -0.97791E-03 5540 0.207E-01 0.156E-01 RMM: 4 -0.327380643462E+03 0.11879E-03 -0.72817E-04 4677 0.598E-02 0.128E-01 RMM: 5 -0.327380579012E+03 0.64450E-04 -0.11981E-04 3744 0.282E-02 0.857E-02 RMM: 6 -0.327380531684E+03 0.47328E-04 -0.34998E-05 2959 0.183E-02 0.209E-02 RMM: 7 -0.327380535570E+03 -0.38855E-05 -0.11436E-05 2486 0.108E-02 4285 T= 6628. E= 0.67537451E+03 F= 0.62888845E+03 E0= 0.65738609E+03 EK= 0.53972E+02 SP= -.75E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327390087097E+03 -0.95554E-02 -0.12018E-01 7808 0.239E+01 0.148E-01 RMM: 2 -0.327400518680E+03 -0.10432E-01 -0.86785E-02 4912 0.715E-01 0.654E-01 RMM: 3 -0.327397634018E+03 0.28847E-02 -0.99998E-03 5862 0.187E-01 0.109E-01 RMM: 4 -0.327397457201E+03 0.17682E-03 -0.44736E-04 4704 0.484E-02 0.953E-02 RMM: 5 -0.327397385712E+03 0.71489E-04 -0.68073E-05 3455 0.241E-02 0.492E-02 RMM: 6 -0.327397375497E+03 0.10215E-04 -0.20758E-05 2527 0.133E-02 4286 T= 6650. E= 0.67537578E+03 F= 0.62887161E+03 E0= 0.65736370E+03 EK= 0.54156E+02 SP= -.77E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327518312625E+03 -0.12093E+00 -0.11902E-01 7608 0.239E+01 0.148E-01 RMM: 2 -0.327530243960E+03 -0.11931E-01 -0.87247E-02 4843 0.705E-01 0.781E-01 RMM: 3 -0.327525976853E+03 0.42671E-02 -0.10251E-02 5753 0.193E-01 0.123E-01 RMM: 4 -0.327525770562E+03 0.20629E-03 -0.49158E-04 4825 0.488E-02 0.729E-02 RMM: 5 -0.327525739690E+03 0.30872E-04 -0.64128E-05 3313 0.233E-02 0.536E-02 RMM: 6 -0.327525730932E+03 0.87572E-05 -0.21100E-05 2524 0.139E-02 4287 T= 6686. E= 0.67537586E+03 F= 0.62874326E+03 E0= 0.65723312E+03 EK= 0.54445E+02 SP= -.79E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327749411129E+03 -0.22367E+00 -0.11746E-01 7536 0.239E+01 0.291E-01 RMM: 2 -0.327772475804E+03 -0.23065E-01 -0.98250E-02 4900 0.778E-01 0.150E+00 RMM: 3 -0.327757107982E+03 0.15368E-01 -0.13581E-02 5375 0.271E-01 0.275E-01 RMM: 4 -0.327756567748E+03 0.54023E-03 -0.13985E-03 4768 0.756E-02 0.798E-02 RMM: 5 -0.327756575078E+03 -0.73301E-05 -0.17353E-04 3895 0.317E-02 4288 T= 6733. E= 0.67537605E+03 F= 0.62851241E+03 E0= 0.65700325E+03 EK= 0.54830E+02 SP= -.80E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328063385130E+03 -0.30682E+00 -0.11704E-01 7528 0.240E+01 0.210E-01 RMM: 2 -0.328082107909E+03 -0.18723E-01 -0.98498E-02 4943 0.749E-01 0.120E+00 RMM: 3 -0.328071987505E+03 0.10120E-01 -0.11751E-02 5442 0.231E-01 0.223E-01 RMM: 4 -0.328071618546E+03 0.36896E-03 -0.10189E-03 4751 0.657E-02 0.861E-02 RMM: 5 -0.328071586836E+03 0.31709E-04 -0.13098E-04 3895 0.288E-02 0.726E-02 RMM: 6 -0.328071556142E+03 0.30694E-04 -0.26996E-05 2603 0.154E-02 0.426E-02 RMM: 7 -0.328071563527E+03 -0.73848E-05 -0.20240E-05 2540 0.137E-02 4289 T= 6790. E= 0.67537549E+03 F= 0.62819743E+03 E0= 0.65669363E+03 EK= 0.55291E+02 SP= -.81E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328433049623E+03 -0.36149E+00 -0.12394E-01 7600 0.240E+01 0.232E-01 RMM: 2 -0.328450570113E+03 -0.17520E-01 -0.11859E-01 4733 0.836E-01 0.105E+00 RMM: 3 -0.328442967945E+03 0.76022E-02 -0.14106E-02 5598 0.240E-01 0.179E-01 RMM: 4 -0.328442700151E+03 0.26779E-03 -0.98782E-04 4876 0.664E-02 0.117E-01 RMM: 5 -0.328442660563E+03 0.39588E-04 -0.15452E-04 3822 0.318E-02 0.961E-02 RMM: 6 -0.328442601749E+03 0.58814E-04 -0.46277E-05 3165 0.199E-02 0.225E-02 RMM: 7 -0.328442606029E+03 -0.42796E-05 -0.12862E-05 2499 0.116E-02 4290 T= 6852. E= 0.67537319E+03 F= 0.62782638E+03 E0= 0.65632975E+03 EK= 0.55796E+02 SP= -.83E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328819581319E+03 -0.37698E+00 -0.12422E-01 7656 0.241E+01 0.159E-01 RMM: 2 -0.328833841610E+03 -0.14260E-01 -0.12357E-01 4833 0.843E-01 0.686E-01 RMM: 3 -0.328830637700E+03 0.32039E-02 -0.14518E-02 6070 0.211E-01 0.127E-01 RMM: 4 -0.328830312590E+03 0.32511E-03 -0.64381E-04 4648 0.634E-02 0.113E-01 RMM: 5 -0.328830221569E+03 0.91020E-04 -0.10284E-04 3664 0.297E-02 0.513E-02 RMM: 6 -0.328830209649E+03 0.11920E-04 -0.23123E-05 2539 0.137E-02 4291 T= 6914. E= 0.67537013E+03 F= 0.62743878E+03 E0= 0.65595078E+03 EK= 0.56303E+02 SP= -.84E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329173647737E+03 -0.34343E+00 -0.12759E-01 7496 0.242E+01 0.170E-01 RMM: 2 -0.329192022446E+03 -0.18375E-01 -0.14260E-01 4715 0.905E-01 0.876E-01 RMM: 3 -0.329186649245E+03 0.53732E-02 -0.17596E-02 5975 0.237E-01 0.189E-01 RMM: 4 -0.329186111899E+03 0.53735E-03 -0.76767E-04 4896 0.644E-02 0.678E-02 RMM: 5 -0.329186082268E+03 0.29631E-04 -0.10302E-04 3973 0.270E-02 0.598E-02 RMM: 6 -0.329186068782E+03 0.13487E-04 -0.23274E-05 2543 0.146E-02 4292 T= 6970. E= 0.67536705E+03 F= 0.62708292E+03 E0= 0.65560477E+03 EK= 0.56763E+02 SP= -.85E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329449595668E+03 -0.26351E+00 -0.12700E-01 7416 0.244E+01 0.342E-01 RMM: 2 -0.329488742719E+03 -0.39147E-01 -0.15740E-01 4770 0.981E-01 0.195E+00 RMM: 3 -0.329462321471E+03 0.26421E-01 -0.20774E-02 5404 0.324E-01 0.297E-01 RMM: 4 -0.329461635889E+03 0.68558E-03 -0.21503E-03 5126 0.933E-02 0.887E-02 RMM: 5 -0.329461619537E+03 0.16353E-04 -0.25862E-04 4243 0.321E-02 0.890E-02 RMM: 6 -0.329461568723E+03 0.50814E-04 -0.36665E-05 2940 0.181E-02 0.387E-02 RMM: 7 -0.329461568477E+03 0.24564E-06 -0.17355E-05 2505 0.126E-02 4293 T= 7015. E= 0.67536404E+03 F= 0.62680742E+03 E0= 0.65533880E+03 EK= 0.57123E+02 SP= -.86E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329598912766E+03 -0.13734E+00 -0.12814E-01 7400 0.245E+01 0.219E-01 RMM: 2 -0.329621431483E+03 -0.22519E-01 -0.14178E-01 4736 0.901E-01 0.117E+00 RMM: 3 -0.329611383816E+03 0.10048E-01 -0.17030E-02 5515 0.268E-01 0.235E-01 RMM: 4 -0.329610950319E+03 0.43350E-03 -0.13552E-03 4963 0.787E-02 0.100E-01 RMM: 5 -0.329610905865E+03 0.44455E-04 -0.18638E-04 3922 0.328E-02 0.790E-02 RMM: 6 -0.329610865759E+03 0.40106E-04 -0.35229E-05 2916 0.174E-02 0.326E-02 RMM: 7 -0.329610869483E+03 -0.37240E-05 -0.18157E-05 2508 0.132E-02 4294 T= 7041. E= 0.67536134E+03 F= 0.62665812E+03 E0= 0.65519709E+03 EK= 0.57338E+02 SP= -.86E+01 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329579271435E+03 0.31594E-01 -0.13256E-01 7648 0.246E+01 0.184E-01 RMM: 2 -0.329596935372E+03 -0.17664E-01 -0.13707E-01 4732 0.890E-01 0.886E-01 RMM: 3 -0.329591509961E+03 0.54254E-02 -0.16706E-02 5939 0.237E-01 0.158E-01 RMM: 4 -0.329591101342E+03 0.40862E-03 -0.79861E-04 4885 0.657E-02 0.929E-02 RMM: 5 -0.329591059281E+03 0.42061E-04 -0.11714E-04 3801 0.302E-02 0.659E-02 RMM: 6 -0.329591034851E+03 0.24431E-04 -0.28061E-05 2601 0.158E-02 0.379E-02 RMM: 7 -0.329591037690E+03 -0.28396E-05 -0.18720E-05 2505 0.135E-02 4295 T= 7044. E= 0.67535930E+03 F= 0.62667795E+03 E0= 0.65522158E+03 EK= 0.57361E+02 SP= -.87E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329357319357E+03 0.23372E+00 -0.13698E-01 7680 0.247E+01 0.168E-01 RMM: 2 -0.329373026977E+03 -0.15708E-01 -0.13311E-01 4742 0.881E-01 0.744E-01 RMM: 3 -0.329369159459E+03 0.38675E-02 -0.15714E-02 6001 0.228E-01 0.131E-01 RMM: 4 -0.329368845645E+03 0.31381E-03 -0.70432E-04 4836 0.634E-02 0.105E-01 RMM: 5 -0.329368779096E+03 0.66549E-04 -0.10576E-04 3690 0.303E-02 0.550E-02 RMM: 6 -0.329368763541E+03 0.15555E-04 -0.24868E-05 2558 0.147E-02 4296 T= 7019. E= 0.67535833E+03 F= 0.62690023E+03 E0= 0.65544343E+03 EK= 0.57160E+02 SP= -.87E+01 SK= 0.24E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328915652815E+03 0.45313E+00 -0.12738E-01 7488 0.247E+01 0.181E-01 RMM: 2 -0.328932327564E+03 -0.16675E-01 -0.12045E-01 4769 0.834E-01 0.925E-01 RMM: 3 -0.328926342122E+03 0.59854E-02 -0.14522E-02 5766 0.233E-01 0.168E-01 RMM: 4 -0.328925995557E+03 0.34657E-03 -0.76477E-04 4770 0.629E-02 0.875E-02 RMM: 5 -0.328925952087E+03 0.43470E-04 -0.10926E-04 3804 0.290E-02 0.629E-02 RMM: 6 -0.328925931638E+03 0.20449E-04 -0.25303E-05 2568 0.148E-02 0.466E-02 RMM: 7 -0.328925934783E+03 -0.31452E-05 -0.28321E-05 2561 0.166E-02 4297 T= 6965. E= 0.67535865E+03 F= 0.62734305E+03 E0= 0.65588090E+03 EK= 0.56719E+02 SP= -.87E+01 SK= 0.12E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328254247241E+03 0.67168E+00 -0.12056E-01 7408 0.246E+01 0.201E-01 RMM: 2 -0.328267417268E+03 -0.13170E-01 -0.10130E-01 4809 0.787E-01 0.828E-01 RMM: 3 -0.328262826613E+03 0.45907E-02 -0.12584E-02 5619 0.230E-01 0.158E-01 RMM: 4 -0.328262648183E+03 0.17843E-03 -0.81708E-04 4750 0.626E-02 0.120E-01 RMM: 5 -0.328262577022E+03 0.71161E-04 -0.11757E-04 3783 0.286E-02 0.819E-02 RMM: 6 -0.328262534611E+03 0.42411E-04 -0.32376E-05 2820 0.174E-02 0.282E-02 RMM: 7 -0.328262538032E+03 -0.34218E-05 -0.16128E-05 2497 0.131E-02 4298 T= 6882. E= 0.67536095E+03 F= 0.62800645E+03 E0= 0.65653359E+03 EK= 0.56040E+02 SP= -.87E+01 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327392080396E+03 0.87045E+00 -0.12481E-01 7512 0.246E+01 0.182E-01 RMM: 2 -0.327407685431E+03 -0.15605E-01 -0.11584E-01 4796 0.826E-01 0.886E-01 RMM: 3 -0.327402283838E+03 0.54016E-02 -0.13959E-02 5815 0.224E-01 0.162E-01 RMM: 4 -0.327401955241E+03 0.32860E-03 -0.71193E-04 4702 0.631E-02 0.103E-01 RMM: 5 -0.327401892323E+03 0.62918E-04 -0.10869E-04 3683 0.295E-02 0.657E-02 RMM: 6 -0.327401868444E+03 0.23879E-04 -0.29161E-05 2685 0.164E-02 0.402E-02 RMM: 7 -0.327401870905E+03 -0.24609E-05 -0.25577E-05 2529 0.155E-02 4299 T= 6772. E= 0.67536427E+03 F= 0.62886712E+03 E0= 0.65737937E+03 EK= 0.55150E+02 SP= -.87E+01 SK= 0.27E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326380320726E+03 0.10215E+01 -0.11737E-01 7480 0.244E+01 0.188E-01 RMM: 2 -0.326394357399E+03 -0.14037E-01 -0.10813E-01 4874 0.802E-01 0.834E-01 RMM: 3 -0.326389678476E+03 0.46789E-02 -0.12865E-02 5769 0.218E-01 0.147E-01 RMM: 4 -0.326389441289E+03 0.23719E-03 -0.71512E-04 4730 0.618E-02 0.112E-01 RMM: 5 -0.326389375843E+03 0.65446E-04 -0.10931E-04 3724 0.295E-02 0.686E-02 RMM: 6 -0.326389347932E+03 0.27911E-04 -0.27268E-05 2626 0.160E-02 0.340E-02 RMM: 7 -0.326389349943E+03 -0.20112E-05 -0.17669E-05 2498 0.134E-02 4300 T= 6643. E= 0.67536953E+03 F= 0.62987964E+03 E0= 0.65837338E+03 EK= 0.54100E+02 SP= -.86E+01 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325286530708E+03 0.11028E+01 -0.11599E-01 7328 0.242E+01 0.182E-01 RMM: 2 -0.325300563126E+03 -0.14032E-01 -0.10240E-01 4911 0.779E-01 0.865E-01 RMM: 3 -0.325295416638E+03 0.51465E-02 -0.11723E-02 5708 0.208E-01 0.164E-01 RMM: 4 -0.325295167452E+03 0.24919E-03 -0.69453E-04 4671 0.632E-02 0.113E-01 RMM: 5 -0.325295088971E+03 0.78481E-04 -0.10671E-04 3694 0.286E-02 0.660E-02 RMM: 6 -0.325295064617E+03 0.24354E-04 -0.26975E-05 2659 0.160E-02 0.377E-02 RMM: 7 -0.325295064917E+03 -0.29970E-06 -0.19427E-05 2503 0.137E-02 4301 T= 6504. E= 0.67537673E+03 F= 0.63097392E+03 E0= 0.65944767E+03 EK= 0.52965E+02 SP= -.86E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324201390652E+03 0.10937E+01 -0.11078E-01 7424 0.240E+01 0.187E-01 RMM: 2 -0.324213174054E+03 -0.11783E-01 -0.88831E-02 4887 0.748E-01 0.806E-01 RMM: 3 -0.324208928711E+03 0.42453E-02 -0.10686E-02 5765 0.206E-01 0.142E-01 RMM: 4 -0.324208754389E+03 0.17432E-03 -0.60566E-04 4668 0.579E-02 0.127E-01 RMM: 5 -0.324208666802E+03 0.87587E-04 -0.10471E-04 3661 0.300E-02 0.677E-02 RMM: 6 -0.324208639250E+03 0.27553E-04 -0.27872E-05 2699 0.163E-02 0.346E-02 RMM: 7 -0.324208638844E+03 0.40573E-06 -0.25588E-05 2506 0.161E-02 4302 T= 6366. E= 0.67538435E+03 F= 0.63206035E+03 E0= 0.66051324E+03 EK= 0.51839E+02 SP= -.85E+01 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323222884396E+03 0.98575E+00 -0.10872E-01 7096 0.237E+01 0.170E-01 RMM: 2 -0.323232161279E+03 -0.92769E-02 -0.76682E-02 4998 0.702E-01 0.662E-01 RMM: 3 -0.323229384225E+03 0.27771E-02 -0.88105E-03 5807 0.182E-01 0.125E-01 RMM: 4 -0.323229271600E+03 0.11262E-03 -0.49220E-04 4565 0.550E-02 0.139E-01 RMM: 5 -0.323229153715E+03 0.11789E-03 -0.94678E-05 3623 0.289E-02 0.615E-02 RMM: 6 -0.323229132371E+03 0.21344E-04 -0.23949E-05 2584 0.151E-02 0.348E-02 RMM: 7 -0.323229132418E+03 -0.46894E-07 -0.20232E-05 2492 0.140E-02 4303 T= 6241. E= 0.67539127E+03 F= 0.63303986E+03 E0= 0.66147246E+03 EK= 0.50825E+02 SP= -.85E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322442926172E+03 0.78621E+00 -0.11024E-01 7216 0.235E+01 0.166E-01 RMM: 2 -0.322452880338E+03 -0.99542E-02 -0.80527E-02 4940 0.713E-01 0.684E-01 RMM: 3 -0.322449832611E+03 0.30477E-02 -0.93483E-03 5849 0.185E-01 0.138E-01 RMM: 4 -0.322449647471E+03 0.18514E-03 -0.50008E-04 4549 0.561E-02 0.119E-01 RMM: 5 -0.322449562814E+03 0.84657E-04 -0.85555E-05 3550 0.283E-02 0.531E-02 RMM: 6 -0.322449549129E+03 0.13685E-04 -0.21467E-05 2536 0.140E-02 4304 T= 6143. E= 0.67539729E+03 F= 0.63381944E+03 E0= 0.66223335E+03 EK= 0.50021E+02 SP= -.84E+01 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321937611874E+03 0.51195E+00 -0.11064E-01 7368 0.233E+01 0.191E-01 RMM: 2 -0.321950719398E+03 -0.13108E-01 -0.71971E-02 5043 0.669E-01 0.102E+00 RMM: 3 -0.321943609570E+03 0.71098E-02 -0.82108E-03 5430 0.197E-01 0.188E-01 RMM: 4 -0.321943362576E+03 0.24699E-03 -0.64366E-04 4625 0.558E-02 0.833E-02 RMM: 5 -0.321943325668E+03 0.36908E-04 -0.87527E-05 3637 0.259E-02 0.643E-02 RMM: 6 -0.321943303719E+03 0.21949E-04 -0.23429E-05 2574 0.149E-02 0.438E-02 RMM: 7 -0.321943309232E+03 -0.55129E-05 -0.24606E-05 2528 0.154E-02 4305 T= 6079. E= 0.67540089E+03 F= 0.63432568E+03 E0= 0.66272388E+03 EK= 0.49501E+02 SP= -.84E+01 SK= 0.23E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.321745305549E+03 0.19800E+00 -0.11168E-01 7416 0.232E+01 0.200E-01 RMM: 2 -0.321756625748E+03 -0.11320E-01 -0.76407E-02 4896 0.707E-01 0.866E-01 RMM: 3 -0.321751632429E+03 0.49933E-02 -0.93498E-03 5495 0.206E-01 0.197E-01 RMM: 4 -0.321751388595E+03 0.24383E-03 -0.79324E-04 4637 0.654E-02 0.113E-01 RMM: 5 -0.321751339235E+03 0.49359E-04 -0.12136E-04 3746 0.289E-02 0.842E-02 RMM: 6 -0.321751294526E+03 0.44709E-04 -0.32143E-05 2858 0.181E-02 0.250E-02 RMM: 7 -0.321751294863E+03 -0.33642E-06 -0.11662E-05 2477 0.108E-02 4306 T= 6055. E= 0.67540126E+03 F= 0.63451769E+03 E0= 0.66290368E+03 EK= 0.49307E+02 SP= -.84E+01 SK= 0.72E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.321865582500E+03 -0.11429E+00 -0.11257E-01 7480 0.232E+01 0.176E-01 RMM: 2 -0.321877358196E+03 -0.11776E-01 -0.73841E-02 4991 0.674E-01 0.906E-01 RMM: 3 -0.321871791579E+03 0.55666E-02 -0.84256E-03 5513 0.191E-01 0.144E-01 RMM: 4 -0.321871633335E+03 0.15824E-03 -0.54786E-04 4614 0.526E-02 0.967E-02 RMM: 5 -0.321871576540E+03 0.56795E-04 -0.82266E-05 3593 0.265E-02 0.603E-02 RMM: 6 -0.321871555586E+03 0.20953E-04 -0.25338E-05 2576 0.154E-02 0.378E-02 RMM: 7 -0.321871558725E+03 -0.31386E-05 -0.19777E-05 2524 0.131E-02 4307 T= 6071. E= 0.67539876E+03 F= 0.63439743E+03 E0= 0.66277611E+03 EK= 0.49438E+02 SP= -.84E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322256773893E+03 -0.38522E+00 -0.11690E-01 7552 0.233E+01 0.180E-01 RMM: 2 -0.322267576607E+03 -0.10803E-01 -0.80484E-02 4862 0.710E-01 0.761E-01 RMM: 3 -0.322263544539E+03 0.40321E-02 -0.98733E-03 5584 0.206E-01 0.147E-01 RMM: 4 -0.322263365580E+03 0.17896E-03 -0.59937E-04 4690 0.544E-02 0.895E-02 RMM: 5 -0.322263329068E+03 0.36512E-04 -0.86703E-05 3629 0.264E-02 0.687E-02 RMM: 6 -0.322263302467E+03 0.26601E-04 -0.25712E-05 2579 0.158E-02 0.321E-02 RMM: 7 -0.322263304736E+03 -0.22685E-05 -0.12908E-05 2482 0.113E-02 4308 T= 6122. E= 0.67539408E+03 F= 0.63400568E+03 E0= 0.66238123E+03 EK= 0.49854E+02 SP= -.85E+01 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322849448343E+03 -0.58615E+00 -0.12186E-01 7632 0.235E+01 0.169E-01 RMM: 2 -0.322861337434E+03 -0.11889E-01 -0.94062E-02 4858 0.754E-01 0.740E-01 RMM: 3 -0.322857580267E+03 0.37572E-02 -0.11050E-02 5807 0.202E-01 0.154E-01 RMM: 4 -0.322857324937E+03 0.25533E-03 -0.58509E-04 4633 0.581E-02 0.989E-02 RMM: 5 -0.322857264636E+03 0.60301E-04 -0.90499E-05 3613 0.278E-02 0.602E-02 RMM: 6 -0.322857245931E+03 0.18705E-04 -0.24162E-05 2551 0.148E-02 4309 T= 6200. E= 0.67538852E+03 F= 0.63341174E+03 E0= 0.66178838E+03 EK= 0.50486E+02 SP= -.85E+01 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323561568755E+03 -0.70430E+00 -0.12081E-01 7552 0.237E+01 0.190E-01 RMM: 2 -0.323574790768E+03 -0.13222E-01 -0.87370E-02 4894 0.728E-01 0.915E-01 RMM: 3 -0.323568982950E+03 0.58078E-02 -0.10569E-02 5528 0.216E-01 0.160E-01 RMM: 4 -0.323568784856E+03 0.19809E-03 -0.68725E-04 4762 0.554E-02 0.896E-02 RMM: 5 -0.323568734502E+03 0.50354E-04 -0.92940E-05 3700 0.272E-02 0.669E-02 RMM: 6 -0.323568713120E+03 0.21383E-04 -0.27219E-05 2609 0.156E-02 0.483E-02 RMM: 7 -0.323568720656E+03 -0.75361E-05 -0.32829E-05 2685 0.173E-02 4310 T= 6293. E= 0.67538275E+03 F= 0.63270027E+03 E0= 0.66108104E+03 EK= 0.51246E+02 SP= -.86E+01 SK= 0.74E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324309775422E+03 -0.74106E+00 -0.12129E-01 7416 0.239E+01 0.247E-01 RMM: 2 -0.324325912186E+03 -0.16137E-01 -0.82446E-02 4929 0.734E-01 0.120E+00 RMM: 3 -0.324316252432E+03 0.96598E-02 -0.10351E-02 5422 0.230E-01 0.234E-01 RMM: 4 -0.324315914630E+03 0.33780E-03 -0.10511E-03 4671 0.721E-02 0.114E-01 RMM: 5 -0.324315873246E+03 0.41385E-04 -0.15183E-04 3833 0.308E-02 0.978E-02 RMM: 6 -0.324315811738E+03 0.61508E-04 -0.40675E-05 3056 0.197E-02 0.277E-02 RMM: 7 -0.324315813655E+03 -0.19170E-05 -0.14822E-05 2493 0.121E-02 4311 T= 6392. E= 0.67537795E+03 F= 0.63195318E+03 E0= 0.66034068E+03 EK= 0.52052E+02 SP= -.86E+01 SK= 0.90E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325027728407E+03 -0.71192E+00 -0.12334E-01 7464 0.241E+01 0.199E-01 RMM: 2 -0.325042061043E+03 -0.14333E-01 -0.93761E-02 4931 0.755E-01 0.975E-01 RMM: 3 -0.325035670084E+03 0.63910E-02 -0.10962E-02 5598 0.215E-01 0.166E-01 RMM: 4 -0.325035454679E+03 0.21540E-03 -0.72169E-04 4677 0.599E-02 0.106E-01 RMM: 5 -0.325035380092E+03 0.74588E-04 -0.11226E-04 3742 0.279E-02 0.722E-02 RMM: 6 -0.325035350035E+03 0.30057E-04 -0.30872E-05 2781 0.168E-02 0.407E-02 RMM: 7 -0.325035349578E+03 0.45744E-06 -0.23360E-05 2531 0.145E-02 4312 T= 6488. E= 0.67537508E+03 F= 0.63123364E+03 E0= 0.65962886E+03 EK= 0.52837E+02 SP= -.87E+01 SK= 0.96E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325684898795E+03 -0.64955E+00 -0.12691E-01 7464 0.243E+01 0.206E-01 RMM: 2 -0.325698411666E+03 -0.13513E-01 -0.91267E-02 4979 0.748E-01 0.941E-01 RMM: 3 -0.325692537383E+03 0.58743E-02 -0.10636E-02 5627 0.209E-01 0.182E-01 RMM: 4 -0.325692274003E+03 0.26338E-03 -0.72934E-04 4674 0.604E-02 0.104E-01 RMM: 5 -0.325692214063E+03 0.59940E-04 -0.10861E-04 3762 0.268E-02 0.735E-02 RMM: 6 -0.325692182347E+03 0.31715E-04 -0.27821E-05 2680 0.162E-02 0.332E-02 RMM: 7 -0.325692184011E+03 -0.16641E-05 -0.19775E-05 2509 0.135E-02 4313 T= 6577. E= 0.67537438E+03 F= 0.63057681E+03 E0= 0.65898058E+03 EK= 0.53562E+02 SP= -.88E+01 SK= 0.93E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326273593099E+03 -0.58141E+00 -0.12934E-01 7488 0.244E+01 0.189E-01 RMM: 2 -0.326286601659E+03 -0.13009E-01 -0.10078E-01 4948 0.773E-01 0.798E-01 RMM: 3 -0.326282214936E+03 0.43867E-02 -0.11655E-02 5856 0.203E-01 0.143E-01 RMM: 4 -0.326282029670E+03 0.18527E-03 -0.68306E-04 4650 0.629E-02 0.140E-01 RMM: 5 -0.326281898023E+03 0.13165E-03 -0.12089E-04 3720 0.292E-02 0.682E-02 RMM: 6 -0.326281870789E+03 0.27235E-04 -0.28437E-05 2731 0.163E-02 0.350E-02 RMM: 7 -0.326281868601E+03 0.21881E-05 -0.19647E-05 2505 0.136E-02 4314 T= 6658. E= 0.67537531E+03 F= 0.62998712E+03 E0= 0.65839917E+03 EK= 0.54221E+02 SP= -.88E+01 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326814722499E+03 -0.53285E+00 -0.13939E-01 7528 0.245E+01 0.190E-01 RMM: 2 -0.326829486265E+03 -0.14764E-01 -0.11953E-01 4916 0.831E-01 0.793E-01 RMM: 3 -0.326825190352E+03 0.42959E-02 -0.14083E-02 5870 0.215E-01 0.153E-01 RMM: 4 -0.326824886568E+03 0.30378E-03 -0.72156E-04 4782 0.623E-02 0.116E-01 RMM: 5 -0.326824801560E+03 0.85009E-04 -0.11144E-04 3775 0.280E-02 0.700E-02 RMM: 6 -0.326824773469E+03 0.28090E-04 -0.29219E-05 2653 0.164E-02 0.375E-02 RMM: 7 -0.326824773187E+03 0.28226E-06 -0.28543E-05 2544 0.157E-02 4315 T= 6733. E= 0.67537678E+03 F= 0.62944422E+03 E0= 0.65786344E+03 EK= 0.54827E+02 SP= -.89E+01 SK= 0.63E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327343769781E+03 -0.51900E+00 -0.13715E-01 7488 0.245E+01 0.190E-01 RMM: 2 -0.327357716440E+03 -0.13947E-01 -0.10849E-01 4965 0.793E-01 0.807E-01 RMM: 3 -0.327353169200E+03 0.45472E-02 -0.12717E-02 5891 0.204E-01 0.153E-01 RMM: 4 -0.327352902415E+03 0.26679E-03 -0.70494E-04 4670 0.634E-02 0.129E-01 RMM: 5 -0.327352797373E+03 0.10504E-03 -0.11552E-04 3714 0.288E-02 0.667E-02 RMM: 6 -0.327352771922E+03 0.25451E-04 -0.27299E-05 2660 0.161E-02 0.339E-02 RMM: 7 -0.327352773149E+03 -0.12274E-05 -0.18842E-05 2501 0.133E-02 4316 T= 6804. E= 0.67537834E+03 F= 0.62891622E+03 E0= 0.65734141E+03 EK= 0.55410E+02 SP= -.90E+01 SK= 0.42E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327888755287E+03 -0.53598E+00 -0.13149E-01 7496 0.246E+01 0.172E-01 RMM: 2 -0.327899903892E+03 -0.11149E-01 -0.92562E-02 5027 0.732E-01 0.688E-01 RMM: 3 -0.327896658488E+03 0.32454E-02 -0.10373E-02 5948 0.187E-01 0.139E-01 RMM: 4 -0.327896433498E+03 0.22499E-03 -0.52333E-04 4616 0.545E-02 0.119E-01 RMM: 5 -0.327896341271E+03 0.92227E-04 -0.90692E-05 3582 0.269E-02 0.615E-02 RMM: 6 -0.327896321680E+03 0.19591E-04 -0.25343E-05 2592 0.153E-02 4317 T= 6876. E= 0.67537930E+03 F= 0.62837267E+03 E0= 0.65680231E+03 EK= 0.55997E+02 SP= -.90E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328462840285E+03 -0.56650E+00 -0.13260E-01 7448 0.246E+01 0.195E-01 RMM: 2 -0.328478354525E+03 -0.15514E-01 -0.10069E-01 4946 0.759E-01 0.100E+00 RMM: 3 -0.328471476456E+03 0.68781E-02 -0.11728E-02 5637 0.216E-01 0.183E-01 RMM: 4 -0.328471170973E+03 0.30548E-03 -0.74519E-04 4785 0.586E-02 0.861E-02 RMM: 5 -0.328471122015E+03 0.48958E-04 -0.10277E-04 3845 0.269E-02 0.649E-02 RMM: 6 -0.328471102555E+03 0.19460E-04 -0.26038E-05 2574 0.152E-02 4318 T= 6950. E= 0.67537848E+03 F= 0.62779789E+03 E0= 0.65623121E+03 EK= 0.56598E+02 SP= -.90E+01 SK= 0.57E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329061832926E+03 -0.59071E+00 -0.12477E-01 7576 0.247E+01 0.326E-01 RMM: 2 -0.329093885168E+03 -0.32052E-01 -0.88050E-02 5136 0.744E-01 0.192E+00 RMM: 3 -0.329068281169E+03 0.25604E-01 -0.13703E-02 5373 0.285E-01 0.292E-01 RMM: 4 -0.329067629929E+03 0.65124E-03 -0.15607E-03 4782 0.831E-02 0.860E-02 RMM: 5 -0.329067616949E+03 0.12980E-04 -0.18196E-04 3937 0.319E-02 4319 T= 7024. E= 0.67537747E+03 F= 0.62720137E+03 E0= 0.65563859E+03 EK= 0.57202E+02 SP= -.90E+01 SK= 0.67E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.329649725297E+03 -0.58210E+00 -0.12784E-01 7512 0.248E+01 0.214E-01 RMM: 2 -0.329666336177E+03 -0.16611E-01 -0.94208E-02 5106 0.721E-01 0.110E+00 RMM: 3 -0.329657631274E+03 0.87049E-02 -0.10285E-02 5439 0.221E-01 0.252E-01 RMM: 4 -0.329657192898E+03 0.43838E-03 -0.97242E-04 4734 0.657E-02 0.842E-02 RMM: 5 -0.329657154091E+03 0.38807E-04 -0.12440E-04 4013 0.275E-02 0.756E-02 RMM: 6 -0.329657127216E+03 0.26874E-04 -0.27433E-05 2613 0.157E-02 0.543E-02 RMM: 7 -0.329657147828E+03 -0.20612E-04 -0.42066E-05 3008 0.184E-02 0.879E-02 RMM: 8 -0.329657097166E+03 0.50662E-04 -0.75698E-05 3874 0.213E-02 0.303E-02 RMM: 9 -0.329657096019E+03 0.11475E-05 -0.14141E-05 2497 0.111E-02 4320 T= 7095. E= 0.67537527E+03 F= 0.62661189E+03 E0= 0.65505387E+03 EK= 0.57776E+02 SP= -.90E+01 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330193448307E+03 -0.53635E+00 -0.12462E-01 7400 0.249E+01 0.238E-01 RMM: 2 -0.330205419633E+03 -0.11971E-01 -0.87346E-02 5042 0.714E-01 0.887E-01 RMM: 3 -0.330200164195E+03 0.52554E-02 -0.94831E-03 5770 0.192E-01 0.181E-01 RMM: 4 -0.330200119512E+03 0.44683E-04 -0.93875E-04 4636 0.743E-02 0.211E-01 RMM: 5 -0.330199872938E+03 0.24657E-03 -0.23547E-04 3891 0.408E-02 0.101E-01 RMM: 6 -0.330199809891E+03 0.63047E-04 -0.59286E-05 3344 0.233E-02 0.355E-02 RMM: 7 -0.330199821053E+03 -0.11162E-04 -0.20776E-05 2558 0.137E-02 4321 T= 7157. E= 0.67537301E+03 F= 0.62606917E+03 E0= 0.65451770E+03 EK= 0.58279E+02 SP= -.90E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330650468985E+03 -0.45066E+00 -0.12619E-01 7648 0.249E+01 0.201E-01 RMM: 2 -0.330663112191E+03 -0.12643E-01 -0.93536E-02 5184 0.730E-01 0.855E-01 RMM: 3 -0.330658135767E+03 0.49764E-02 -0.99121E-03 5825 0.193E-01 0.192E-01 RMM: 4 -0.330657777785E+03 0.35798E-03 -0.63937E-04 4743 0.561E-02 0.880E-02 RMM: 5 -0.330657726022E+03 0.51763E-04 -0.95495E-05 3728 0.251E-02 0.637E-02 RMM: 6 -0.330657708545E+03 0.17477E-04 -0.23909E-05 2566 0.148E-02 4322 T= 7205. E= 0.67537198E+03 F= 0.62561128E+03 E0= 0.65406830E+03 EK= 0.58670E+02 SP= -.89E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330994077521E+03 -0.33635E+00 -0.13373E-01 7592 0.249E+01 0.263E-01 RMM: 2 -0.331017424159E+03 -0.23347E-01 -0.10576E-01 5003 0.785E-01 0.147E+00 RMM: 3 -0.331002625654E+03 0.14799E-01 -0.13183E-02 5470 0.252E-01 0.238E-01 RMM: 4 -0.331002223361E+03 0.40229E-03 -0.11911E-03 4811 0.694E-02 0.944E-02 RMM: 5 -0.331002182856E+03 0.40504E-04 -0.14482E-04 3928 0.311E-02 0.806E-02 RMM: 6 -0.331002151745E+03 0.31111E-04 -0.34048E-05 2859 0.170E-02 0.551E-02 RMM: 7 -0.331002178975E+03 -0.27230E-04 -0.45428E-05 3131 0.196E-02 0.892E-02 RMM: 8 -0.331002126870E+03 0.52105E-04 -0.50926E-05 3214 0.196E-02 0.332E-02 RMM: 9 -0.331002124301E+03 0.25694E-05 -0.17761E-05 2499 0.126E-02 4323 T= 7235. E= 0.67537144E+03 F= 0.62526686E+03 E0= 0.65373582E+03 EK= 0.58917E+02 SP= -.88E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331209412041E+03 -0.20729E+00 -0.13552E-01 7616 0.249E+01 0.283E-01 RMM: 2 -0.331228816244E+03 -0.19404E-01 -0.98999E-02 5028 0.779E-01 0.131E+00 RMM: 3 -0.331217010877E+03 0.11805E-01 -0.12219E-02 5459 0.245E-01 0.250E-01 RMM: 4 -0.331216690534E+03 0.32034E-03 -0.14301E-03 4755 0.842E-02 0.158E-01 RMM: 5 -0.331216581293E+03 0.10924E-03 -0.22722E-04 3877 0.368E-02 0.111E-01 RMM: 6 -0.331216503035E+03 0.78258E-04 -0.55637E-05 3290 0.220E-02 0.313E-02 RMM: 7 -0.331216513544E+03 -0.10509E-04 -0.23559E-05 2559 0.148E-02 4324 T= 7246. E= 0.67537114E+03 F= 0.62505248E+03 E0= 0.65353550E+03 EK= 0.59003E+02 SP= -.87E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331279892334E+03 -0.63389E-01 -0.13311E-01 7552 0.249E+01 0.197E-01 RMM: 2 -0.331294332781E+03 -0.14440E-01 -0.93990E-02 5084 0.743E-01 0.983E-01 RMM: 3 -0.331287783413E+03 0.65494E-02 -0.10505E-02 5731 0.204E-01 0.194E-01 RMM: 4 -0.331287447053E+03 0.33636E-03 -0.69143E-04 4668 0.584E-02 0.824E-02 RMM: 5 -0.331287408382E+03 0.38671E-04 -0.94257E-05 3795 0.246E-02 0.642E-02 RMM: 6 -0.331287390783E+03 0.17600E-04 -0.22871E-05 2560 0.145E-02 4325 T= 7235. E= 0.67537119E+03 F= 0.62498160E+03 E0= 0.65348024E+03 EK= 0.58915E+02 SP= -.86E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331189665557E+03 0.97743E-01 -0.13025E-01 7448 0.249E+01 0.271E-01 RMM: 2 -0.331213862757E+03 -0.24197E-01 -0.97948E-02 4965 0.765E-01 0.154E+00 RMM: 3 -0.331197509804E+03 0.16353E-01 -0.13489E-02 5407 0.264E-01 0.213E-01 RMM: 4 -0.331197203801E+03 0.30600E-03 -0.12643E-03 4918 0.674E-02 0.909E-02 RMM: 5 -0.331197157827E+03 0.45974E-04 -0.12291E-04 3837 0.305E-02 0.743E-02 RMM: 6 -0.331197130234E+03 0.27592E-04 -0.29383E-05 2694 0.160E-02 0.500E-02 RMM: 7 -0.331197144795E+03 -0.14561E-04 -0.29593E-05 2621 0.168E-02 4326 T= 7200. E= 0.67536996E+03 F= 0.62507184E+03 E0= 0.65358711E+03 EK= 0.58633E+02 SP= -.84E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330910481943E+03 0.28665E+00 -0.13500E-01 7592 0.249E+01 0.242E-01 RMM: 2 -0.330928756495E+03 -0.18275E-01 -0.10743E-01 4868 0.798E-01 0.117E+00 RMM: 3 -0.330919287541E+03 0.94690E-02 -0.13370E-02 5469 0.250E-01 0.223E-01 RMM: 4 -0.330918964463E+03 0.32308E-03 -0.11584E-03 4751 0.716E-02 0.115E-01 RMM: 5 -0.330918942959E+03 0.21504E-04 -0.17981E-04 3881 0.356E-02 0.108E-01 RMM: 6 -0.330918864669E+03 0.78290E-04 -0.50623E-05 3201 0.208E-02 0.290E-02 RMM: 7 -0.330918868303E+03 -0.36341E-05 -0.15980E-05 2507 0.127E-02 4327 T= 7139. E= 0.67536853E+03 F= 0.62535012E+03 E0= 0.65388026E+03 EK= 0.58134E+02 SP= -.82E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330411799907E+03 0.50706E+00 -0.13748E-01 7488 0.249E+01 0.203E-01 RMM: 2 -0.330427754199E+03 -0.15954E-01 -0.11170E-01 4839 0.808E-01 0.974E-01 RMM: 3 -0.330421356318E+03 0.63979E-02 -0.13716E-02 5684 0.234E-01 0.172E-01 RMM: 4 -0.330421063007E+03 0.29331E-03 -0.80380E-04 4946 0.596E-02 0.915E-02 RMM: 5 -0.330421016274E+03 0.46733E-04 -0.10975E-04 3753 0.289E-02 0.716E-02 RMM: 6 -0.330420987569E+03 0.28704E-04 -0.30391E-05 2718 0.163E-02 0.442E-02 RMM: 7 -0.330420991803E+03 -0.42338E-05 -0.31086E-05 2578 0.166E-02 4328 T= 7048. E= 0.67536739E+03 F= 0.62584800E+03 E0= 0.65439006E+03 EK= 0.57392E+02 SP= -.80E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329669165510E+03 0.75182E+00 -0.13939E-01 7608 0.249E+01 0.196E-01 RMM: 2 -0.329685153697E+03 -0.15988E-01 -0.11521E-01 4770 0.828E-01 0.931E-01 RMM: 3 -0.329679123903E+03 0.60298E-02 -0.14378E-02 5787 0.233E-01 0.173E-01 RMM: 4 -0.329678796925E+03 0.32698E-03 -0.79230E-04 4771 0.633E-02 0.930E-02 RMM: 5 -0.329678758745E+03 0.38180E-04 -0.11667E-04 3778 0.291E-02 0.711E-02 RMM: 6 -0.329678730005E+03 0.28740E-04 -0.28336E-05 2648 0.161E-02 0.337E-02 RMM: 7 -0.329678733497E+03 -0.34914E-05 -0.15491E-05 2497 0.128E-02 4329 T= 6924. E= 0.67536801E+03 F= 0.62659026E+03 E0= 0.65513861E+03 EK= 0.56389E+02 SP= -.77E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328682328634E+03 0.99640E+00 -0.13879E-01 7576 0.247E+01 0.185E-01 RMM: 2 -0.328696970416E+03 -0.14642E-01 -0.12318E-01 4762 0.852E-01 0.754E-01 RMM: 3 -0.328693105409E+03 0.38650E-02 -0.15210E-02 5935 0.230E-01 0.141E-01 RMM: 4 -0.328692832741E+03 0.27267E-03 -0.72199E-04 4818 0.617E-02 0.121E-01 RMM: 5 -0.328692738471E+03 0.94271E-04 -0.10932E-04 3694 0.285E-02 0.662E-02 RMM: 6 -0.328692714487E+03 0.23984E-04 -0.28921E-05 2602 0.162E-02 0.356E-02 RMM: 7 -0.328692715258E+03 -0.77133E-06 -0.20780E-05 2510 0.142E-02 4330 T= 6770. E= 0.67537116E+03 F= 0.62757627E+03 E0= 0.65612468E+03 EK= 0.55132E+02 SP= -.75E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327487753969E+03 0.12050E+01 -0.13851E-01 7640 0.245E+01 0.204E-01 RMM: 2 -0.327503187621E+03 -0.15434E-01 -0.10744E-01 4880 0.798E-01 0.963E-01 RMM: 3 -0.327496835177E+03 0.63524E-02 -0.12598E-02 5732 0.221E-01 0.176E-01 RMM: 4 -0.327496544623E+03 0.29055E-03 -0.75955E-04 4783 0.616E-02 0.103E-01 RMM: 5 -0.327496496417E+03 0.48206E-04 -0.11734E-04 3730 0.283E-02 0.781E-02 RMM: 6 -0.327496461118E+03 0.35299E-04 -0.32519E-05 2878 0.174E-02 0.363E-02 RMM: 7 -0.327496466477E+03 -0.53588E-05 -0.19868E-05 2512 0.140E-02 4331 T= 6590. E= 0.67537659E+03 F= 0.62877252E+03 E0= 0.65731327E+03 EK= 0.53664E+02 SP= -.72E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326149550919E+03 0.13469E+01 -0.14057E-01 7608 0.242E+01 0.203E-01 RMM: 2 -0.326164033557E+03 -0.14483E-01 -0.11062E-01 4853 0.812E-01 0.863E-01 RMM: 3 -0.326158932712E+03 0.51008E-02 -0.13165E-02 5756 0.225E-01 0.165E-01 RMM: 4 -0.326158676570E+03 0.25614E-03 -0.77700E-04 4798 0.621E-02 0.117E-01 RMM: 5 -0.326158600136E+03 0.76434E-04 -0.11925E-04 3774 0.283E-02 0.736E-02 RMM: 6 -0.326158567838E+03 0.32298E-04 -0.31204E-05 2814 0.172E-02 0.315E-02 RMM: 7 -0.326158569576E+03 -0.17381E-05 -0.15253E-05 2494 0.123E-02 4332 T= 6393. E= 0.67538494E+03 F= 0.63011042E+03 E0= 0.65863674E+03 EK= 0.52061E+02 SP= -.69E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324775202491E+03 0.13834E+01 -0.12636E-01 7512 0.238E+01 0.192E-01 RMM: 2 -0.324788060353E+03 -0.12858E-01 -0.89536E-02 5076 0.719E-01 0.893E-01 RMM: 3 -0.324782644788E+03 0.54156E-02 -0.95705E-03 5671 0.193E-01 0.169E-01 RMM: 4 -0.324782399135E+03 0.24565E-03 -0.63740E-04 4686 0.571E-02 0.106E-01 RMM: 5 -0.324782346386E+03 0.52748E-04 -0.10634E-04 3690 0.272E-02 0.783E-02 RMM: 6 -0.324782308386E+03 0.38000E-04 -0.31289E-05 2886 0.175E-02 0.344E-02 RMM: 7 -0.324782310036E+03 -0.16498E-05 -0.20688E-05 2502 0.139E-02 4333 T= 6193. E= 0.67539497E+03 F= 0.63148668E+03 E0= 0.65999160E+03 EK= 0.50434E+02 SP= -.67E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323487646857E+03 0.12947E+01 -0.12014E-01 7488 0.235E+01 0.196E-01 RMM: 2 -0.323500006811E+03 -0.12360E-01 -0.86283E-02 4994 0.721E-01 0.882E-01 RMM: 3 -0.323494851419E+03 0.51554E-02 -0.98685E-03 5679 0.198E-01 0.174E-01 RMM: 4 -0.323494601505E+03 0.24991E-03 -0.67821E-04 4678 0.590E-02 0.108E-01 RMM: 5 -0.323494546869E+03 0.54637E-04 -0.11115E-04 3703 0.278E-02 0.770E-02 RMM: 6 -0.323494510692E+03 0.36176E-04 -0.30079E-05 2853 0.172E-02 0.312E-02 RMM: 7 -0.323494511298E+03 -0.60528E-06 -0.14316E-05 2485 0.118E-02 4334 T= 6007. E= 0.67540502E+03 F= 0.63277448E+03 E0= 0.66125322E+03 EK= 0.48914E+02 SP= -.64E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322420302087E+03 0.10742E+01 -0.11742E-01 7520 0.231E+01 0.167E-01 RMM: 2 -0.322431429408E+03 -0.11127E-01 -0.88031E-02 4968 0.717E-01 0.724E-01 RMM: 3 -0.322427873816E+03 0.35556E-02 -0.98471E-03 5834 0.186E-01 0.141E-01 RMM: 4 -0.322427645237E+03 0.22858E-03 -0.52551E-04 4594 0.542E-02 0.107E-01 RMM: 5 -0.322427585548E+03 0.59689E-04 -0.90220E-05 3590 0.271E-02 0.684E-02 RMM: 6 -0.322427557188E+03 0.28360E-04 -0.25880E-05 2642 0.158E-02 0.342E-02 RMM: 7 -0.322427558234E+03 -0.10463E-05 -0.17494E-05 2490 0.130E-02 4335 T= 5850. E= 0.67541457E+03 F= 0.63384143E+03 E0= 0.66229009E+03 EK= 0.47638E+02 SP= -.62E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321699624029E+03 0.72793E+00 -0.10851E-01 7528 0.228E+01 0.180E-01 RMM: 2 -0.321710456739E+03 -0.10833E-01 -0.77695E-02 5065 0.680E-01 0.803E-01 RMM: 3 -0.321706113046E+03 0.43437E-02 -0.84268E-03 5706 0.180E-01 0.160E-01 RMM: 4 -0.321705878259E+03 0.23479E-03 -0.55633E-04 4619 0.545E-02 0.995E-02 RMM: 5 -0.321705833384E+03 0.44874E-04 -0.93320E-05 3622 0.264E-02 0.708E-02 RMM: 6 -0.321705803190E+03 0.30194E-04 -0.24671E-05 2665 0.157E-02 0.315E-02 RMM: 7 -0.321705804377E+03 -0.11870E-05 -0.13900E-05 2479 0.116E-02 4336 T= 5739. E= 0.67542230E+03 F= 0.63456318E+03 E0= 0.66298006E+03 EK= 0.46733E+02 SP= -.60E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321426649442E+03 0.27915E+00 -0.10282E-01 7536 0.226E+01 0.166E-01 RMM: 2 -0.321435710938E+03 -0.90615E-02 -0.68886E-02 5121 0.636E-01 0.704E-01 RMM: 3 -0.321432380631E+03 0.33303E-02 -0.72112E-03 5739 0.166E-01 0.133E-01 RMM: 4 -0.321432220266E+03 0.16037E-03 -0.45495E-04 4442 0.488E-02 0.106E-01 RMM: 5 -0.321432162444E+03 0.57822E-04 -0.80207E-05 3541 0.258E-02 0.657E-02 RMM: 6 -0.321432134958E+03 0.27486E-04 -0.23399E-05 2589 0.151E-02 0.324E-02 RMM: 7 -0.321432135075E+03 -0.11691E-06 -0.16996E-05 2486 0.127E-02 4337 T= 5686. E= 0.67542761E+03 F= 0.63483685E+03 E0= 0.66322164E+03 EK= 0.46302E+02 SP= -.58E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321670997394E+03 -0.23886E+00 -0.10155E-01 7488 0.225E+01 0.169E-01 RMM: 2 -0.321680360947E+03 -0.93636E-02 -0.70503E-02 5095 0.646E-01 0.720E-01 RMM: 3 -0.321676854717E+03 0.35062E-02 -0.75605E-03 5753 0.170E-01 0.136E-01 RMM: 4 -0.321676675329E+03 0.17939E-03 -0.47133E-04 4519 0.496E-02 0.989E-02 RMM: 5 -0.321676625423E+03 0.49906E-04 -0.77731E-05 3528 0.249E-02 0.639E-02 RMM: 6 -0.321676600930E+03 0.24494E-04 -0.21457E-05 2558 0.144E-02 0.320E-02 RMM: 7 -0.321676600693E+03 0.23655E-06 -0.13984E-05 2478 0.117E-02 4338 T= 5700. E= 0.67542960E+03 F= 0.63459239E+03 E0= 0.66294704E+03 EK= 0.46414E+02 SP= -.56E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322461082388E+03 -0.78448E+00 -0.97506E-02 7456 0.226E+01 0.158E-01 RMM: 2 -0.322468915172E+03 -0.78328E-02 -0.59921E-02 5258 0.595E-01 0.660E-01 RMM: 3 -0.322465954482E+03 0.29607E-02 -0.56365E-03 5682 0.150E-01 0.121E-01 RMM: 4 -0.322465832721E+03 0.12176E-03 -0.37603E-04 4222 0.442E-02 0.988E-02 RMM: 5 -0.322465776849E+03 0.55872E-04 -0.65090E-05 3436 0.239E-02 0.586E-02 RMM: 6 -0.322465756163E+03 0.20686E-04 -0.19779E-05 2536 0.137E-02 0.322E-02 RMM: 7 -0.322465754520E+03 0.16435E-05 -0.14594E-05 2478 0.118E-02 4339 T= 5783. E= 0.67542816E+03 F= 0.63380323E+03 E0= 0.66213090E+03 EK= 0.47093E+02 SP= -.55E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323772137742E+03 -0.13064E+01 -0.98694E-02 7568 0.228E+01 0.159E-01 RMM: 2 -0.323781203081E+03 -0.90653E-02 -0.72351E-02 5092 0.654E-01 0.664E-01 RMM: 3 -0.323778207487E+03 0.29956E-02 -0.75828E-03 5788 0.168E-01 0.120E-01 RMM: 4 -0.323778054654E+03 0.15283E-03 -0.42817E-04 4421 0.477E-02 0.100E-01 RMM: 5 -0.323777993948E+03 0.60705E-04 -0.70706E-05 3457 0.245E-02 0.580E-02 RMM: 6 -0.323777974957E+03 0.18992E-04 -0.20003E-05 2538 0.136E-02 4340 T= 5933. E= 0.67542305E+03 F= 0.63249101E+03 E0= 0.66079653E+03 EK= 0.48314E+02 SP= -.54E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325535486493E+03 -0.17575E+01 -0.99512E-02 7608 0.232E+01 0.169E-01 RMM: 2 -0.325545706784E+03 -0.10220E-01 -0.68691E-02 5167 0.637E-01 0.815E-01 RMM: 3 -0.325541243594E+03 0.44632E-02 -0.68529E-03 5499 0.173E-01 0.162E-01 RMM: 4 -0.325541040452E+03 0.20314E-03 -0.50088E-04 4540 0.484E-02 0.775E-02 RMM: 5 -0.325540996130E+03 0.44322E-04 -0.66364E-05 3472 0.226E-02 0.570E-02 RMM: 6 -0.325540980094E+03 0.16036E-04 -0.19236E-05 2524 0.133E-02 4341 T= 6140. E= 0.67541478E+03 F= 0.63072801E+03 E0= 0.65901690E+03 EK= 0.50000E+02 SP= -.53E+01 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327632685231E+03 -0.20917E+01 -0.10038E-01 7504 0.236E+01 0.255E-01 RMM: 2 -0.327651094012E+03 -0.18409E-01 -0.75736E-02 5169 0.698E-01 0.135E+00 RMM: 3 -0.327638558734E+03 0.12535E-01 -0.95383E-03 5355 0.231E-01 0.236E-01 RMM: 4 -0.327638153884E+03 0.40485E-03 -0.10072E-03 4655 0.670E-02 0.780E-02 RMM: 5 -0.327638121300E+03 0.32583E-04 -0.12089E-04 3888 0.275E-02 0.753E-02 RMM: 6 -0.327638087958E+03 0.33343E-04 -0.24939E-05 2572 0.157E-02 0.390E-02 RMM: 7 -0.327638085549E+03 0.24091E-05 -0.16456E-05 2491 0.129E-02 4342 T= 6389. E= 0.67540413E+03 F= 0.62863090E+03 E0= 0.65690992E+03 EK= 0.52029E+02 SP= -.53E+01 SK= 0.68E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329915698517E+03 -0.22776E+01 -0.10089E-01 7400 0.242E+01 0.188E-01 RMM: 2 -0.329926430944E+03 -0.10732E-01 -0.72665E-02 5188 0.671E-01 0.830E-01 RMM: 3 -0.329921703025E+03 0.47279E-02 -0.72433E-03 5416 0.182E-01 0.183E-01 RMM: 4 -0.329921560820E+03 0.14220E-03 -0.76687E-04 4608 0.634E-02 0.136E-01 RMM: 5 -0.329921437681E+03 0.12314E-03 -0.15301E-04 3847 0.331E-02 0.648E-02 RMM: 6 -0.329921410665E+03 0.27015E-04 -0.24847E-05 2627 0.155E-02 0.310E-02 RMM: 7 -0.329921408370E+03 0.22951E-05 -0.16286E-05 2484 0.128E-02 4343 T= 6661. E= 0.67539195E+03 F= 0.62634758E+03 E0= 0.65462291E+03 EK= 0.54244E+02 SP= -.52E+01 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332219173039E+03 -0.22978E+01 -0.10391E-01 7520 0.247E+01 0.199E-01 RMM: 2 -0.332231755486E+03 -0.12582E-01 -0.83091E-02 5151 0.722E-01 0.932E-01 RMM: 3 -0.332226023238E+03 0.57322E-02 -0.85181E-03 5552 0.190E-01 0.155E-01 RMM: 4 -0.332225870937E+03 0.15230E-03 -0.64713E-04 4647 0.585E-02 0.126E-01 RMM: 5 -0.332225752899E+03 0.11804E-03 -0.11655E-04 3789 0.290E-02 0.602E-02 RMM: 6 -0.332225734525E+03 0.18374E-04 -0.25167E-05 2570 0.151E-02 4344 T= 6935. E= 0.67537993E+03 F= 0.62404325E+03 E0= 0.65231887E+03 EK= 0.56471E+02 SP= -.51E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334377674584E+03 -0.21519E+01 -0.10711E-01 7600 0.251E+01 0.172E-01 RMM: 2 -0.334388481946E+03 -0.10807E-01 -0.79080E-02 5160 0.693E-01 0.775E-01 RMM: 3 -0.334384407487E+03 0.40745E-02 -0.80737E-03 5558 0.182E-01 0.138E-01 RMM: 4 -0.334384256323E+03 0.15116E-03 -0.51481E-04 4610 0.501E-02 0.101E-01 RMM: 5 -0.334384178057E+03 0.78266E-04 -0.80334E-05 3658 0.247E-02 0.578E-02 RMM: 6 -0.334384163871E+03 0.14186E-04 -0.19913E-05 2532 0.131E-02 4345 T= 7188. E= 0.67536896E+03 F= 0.62188483E+03 E0= 0.65016424E+03 EK= 0.58533E+02 SP= -.51E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336235401822E+03 -0.18512E+01 -0.11159E-01 7400 0.255E+01 0.297E-01 RMM: 2 -0.336258948484E+03 -0.23547E-01 -0.95294E-02 5059 0.797E-01 0.155E+00 RMM: 3 -0.336242684699E+03 0.16264E-01 -0.12430E-02 5357 0.265E-01 0.253E-01 RMM: 4 -0.336242245895E+03 0.43880E-03 -0.13595E-03 4711 0.777E-02 0.111E-01 RMM: 5 -0.336242182934E+03 0.62961E-04 -0.17941E-04 3874 0.348E-02 0.894E-02 RMM: 6 -0.336242131289E+03 0.51645E-04 -0.37247E-05 2890 0.188E-02 0.408E-02 RMM: 7 -0.336242128273E+03 0.30159E-05 -0.21408E-05 2507 0.147E-02 4346 T= 7400. E= 0.67535993E+03 F= 0.62002686E+03 E0= 0.64831255E+03 EK= 0.60263E+02 SP= -.50E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337664034478E+03 -0.14219E+01 -0.12125E-01 7408 0.258E+01 0.203E-01 RMM: 2 -0.337677984147E+03 -0.13950E-01 -0.97099E-02 4893 0.784E-01 0.908E-01 RMM: 3 -0.337672422102E+03 0.55620E-02 -0.11456E-02 5468 0.225E-01 0.193E-01 RMM: 4 -0.337672233708E+03 0.18839E-03 -0.95082E-04 4671 0.707E-02 0.143E-01 RMM: 5 -0.337672106872E+03 0.12684E-03 -0.17146E-04 3863 0.360E-02 0.785E-02 RMM: 6 -0.337672065737E+03 0.41135E-04 -0.33658E-05 2792 0.173E-02 0.353E-02 RMM: 7 -0.337672058795E+03 0.69419E-05 -0.23283E-05 2494 0.158E-02 4347 T= 7555. E= 0.67535281E+03 F= 0.61859693E+03 E0= 0.64688926E+03 EK= 0.61525E+02 SP= -.48E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338570513554E+03 -0.89845E+00 -0.12641E-01 7520 0.259E+01 0.164E-01 RMM: 2 -0.338583989636E+03 -0.13476E-01 -0.10956E-01 4778 0.816E-01 0.746E-01 RMM: 3 -0.338580235167E+03 0.37545E-02 -0.13039E-02 5883 0.213E-01 0.131E-01 RMM: 4 -0.338580010790E+03 0.22438E-03 -0.62581E-04 4660 0.624E-02 0.115E-01 RMM: 5 -0.338579913023E+03 0.97767E-04 -0.10574E-04 3673 0.308E-02 0.548E-02 RMM: 6 -0.338579900441E+03 0.12582E-04 -0.26158E-05 2550 0.147E-02 4348 T= 7640. E= 0.67534896E+03 F= 0.61768909E+03 E0= 0.64598739E+03 EK= 0.62219E+02 SP= -.46E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338899545881E+03 -0.31963E+00 -0.14164E-01 7608 0.260E+01 0.156E-01 RMM: 2 -0.338916117378E+03 -0.16571E-01 -0.14026E-01 4673 0.914E-01 0.724E-01 RMM: 3 -0.338912074100E+03 0.40433E-02 -0.16486E-02 5932 0.237E-01 0.126E-01 RMM: 4 -0.338911770897E+03 0.30320E-03 -0.69128E-04 4911 0.624E-02 0.904E-02 RMM: 5 -0.338911712589E+03 0.58308E-04 -0.98028E-05 3854 0.305E-02 0.532E-02 RMM: 6 -0.338911701232E+03 0.11356E-04 -0.23396E-05 2530 0.148E-02 4349 T= 7649. E= 0.67534837E+03 F= 0.61735729E+03 E0= 0.64566053E+03 EK= 0.62287E+02 SP= -.44E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338644067636E+03 0.26764E+00 -0.12373E-01 7392 0.258E+01 0.253E-01 RMM: 2 -0.338666163406E+03 -0.22096E-01 -0.11282E-01 4671 0.844E-01 0.134E+00 RMM: 3 -0.338653557639E+03 0.12606E-01 -0.14726E-02 5396 0.270E-01 0.232E-01 RMM: 4 -0.338653161896E+03 0.39574E-03 -0.12779E-03 4785 0.758E-02 0.803E-02 RMM: 5 -0.338653139063E+03 0.22833E-04 -0.16054E-04 4151 0.315E-02 0.751E-02 RMM: 6 -0.338653102650E+03 0.36413E-04 -0.28356E-05 2578 0.157E-02 0.363E-02 RMM: 7 -0.338653102690E+03 -0.40794E-07 -0.19763E-05 2505 0.145E-02 4350 T= 7579. E= 0.67535078E+03 F= 0.61761589E+03 E0= 0.64592229E+03 EK= 0.61718E+02 SP= -.41E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337823083109E+03 0.83002E+00 -0.12202E-01 7528 0.256E+01 0.216E-01 RMM: 2 -0.337840870403E+03 -0.17787E-01 -0.99899E-02 4686 0.781E-01 0.116E+00 RMM: 3 -0.337831576870E+03 0.92935E-02 -0.12810E-02 5441 0.246E-01 0.212E-01 RMM: 4 -0.337831271875E+03 0.30499E-03 -0.10454E-03 4735 0.703E-02 0.941E-02 RMM: 5 -0.337831261667E+03 0.10209E-04 -0.14674E-04 3904 0.324E-02 4351 T= 7435. E= 0.67535693E+03 F= 0.61843773E+03 E0= 0.64674426E+03 EK= 0.60546E+02 SP= -.38E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336502029762E+03 0.13292E+01 -0.13057E-01 7632 0.253E+01 0.123E-01 RMM: 2 -0.336514964560E+03 -0.12935E-01 -0.11475E-01 4691 0.821E-01 0.578E-01 RMM: 3 -0.336512357869E+03 0.26067E-02 -0.13372E-02 5905 0.217E-01 0.122E-01 RMM: 4 -0.336512129152E+03 0.22872E-03 -0.52486E-04 4695 0.560E-02 0.749E-02 RMM: 5 -0.336512088967E+03 0.40185E-04 -0.71380E-05 3356 0.278E-02 0.574E-02 RMM: 6 -0.336512085189E+03 0.37784E-05 -0.31075E-05 2607 0.174E-02 4352 T= 7226. E= 0.67536600E+03 F= 0.61975690E+03 E0= 0.64805848E+03 EK= 0.58847E+02 SP= -.35E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334789770317E+03 0.17223E+01 -0.11872E-01 7232 0.248E+01 0.210E-01 RMM: 2 -0.334806542986E+03 -0.16773E-01 -0.89817E-02 4667 0.742E-01 0.115E+00 RMM: 3 -0.334797184983E+03 0.93580E-02 -0.11527E-02 5426 0.238E-01 0.180E-01 RMM: 4 -0.334796996295E+03 0.18869E-03 -0.92259E-04 4680 0.652E-02 0.101E-01 RMM: 5 -0.334796968138E+03 0.28157E-04 -0.12521E-04 3845 0.299E-02 0.832E-02 RMM: 6 -0.334796924573E+03 0.43565E-04 -0.29853E-05 2718 0.165E-02 0.233E-02 RMM: 7 -0.334796925962E+03 -0.13888E-05 -0.11438E-05 2480 0.115E-02 4353 T= 6967. E= 0.67537678E+03 F= 0.62147206E+03 E0= 0.64976333E+03 EK= 0.56736E+02 SP= -.31E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332809706255E+03 0.19872E+01 -0.11178E-01 7552 0.243E+01 0.249E-01 RMM: 2 -0.332829430475E+03 -0.19724E-01 -0.87211E-02 4933 0.737E-01 0.138E+00 RMM: 3 -0.332816585333E+03 0.12845E-01 -0.10970E-02 5422 0.238E-01 0.233E-01 RMM: 4 -0.332816197316E+03 0.38802E-03 -0.10345E-03 4677 0.698E-02 0.977E-02 RMM: 5 -0.332816161414E+03 0.35902E-04 -0.14620E-04 3864 0.324E-02 0.894E-02 RMM: 6 -0.332816106813E+03 0.54601E-04 -0.35770E-05 2932 0.181E-02 0.382E-02 RMM: 7 -0.332816104390E+03 0.24233E-05 -0.17759E-05 2502 0.133E-02 4354 T= 6675. E= 0.67538936E+03 F= 0.62345288E+03 E0= 0.65172899E+03 EK= 0.54359E+02 SP= -.27E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330714229995E+03 0.21019E+01 -0.10847E-01 7496 0.237E+01 0.188E-01 RMM: 2 -0.330727893020E+03 -0.13663E-01 -0.90345E-02 4789 0.742E-01 0.931E-01 RMM: 3 -0.330721865855E+03 0.60272E-02 -0.10795E-02 5604 0.216E-01 0.160E-01 RMM: 4 -0.330721641833E+03 0.22402E-03 -0.69573E-04 4732 0.586E-02 0.892E-02 RMM: 5 -0.330721609348E+03 0.32485E-04 -0.10315E-04 3715 0.288E-02 0.692E-02 RMM: 6 -0.330721582507E+03 0.26841E-04 -0.25261E-05 2559 0.151E-02 0.339E-02 RMM: 7 -0.330721585653E+03 -0.31460E-05 -0.14751E-05 2494 0.123E-02 4355 T= 6371. E= 0.67540214E+03 F= 0.62554740E+03 E0= 0.65380472E+03 EK= 0.51879E+02 SP= -.23E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328668188066E+03 0.20534E+01 -0.10350E-01 7656 0.232E+01 0.187E-01 RMM: 2 -0.328679695596E+03 -0.11508E-01 -0.83352E-02 4886 0.713E-01 0.834E-01 RMM: 3 -0.328675114693E+03 0.45809E-02 -0.96049E-03 5750 0.197E-01 0.162E-01 RMM: 4 -0.328674893319E+03 0.22137E-03 -0.63246E-04 4649 0.587E-02 0.115E-01 RMM: 5 -0.328674819777E+03 0.73541E-04 -0.11212E-04 3736 0.297E-02 0.747E-02 RMM: 6 -0.328674787752E+03 0.32025E-04 -0.28952E-05 2761 0.163E-02 0.330E-02 RMM: 7 -0.328674787169E+03 0.58346E-06 -0.14057E-05 2487 0.119E-02 4356 T= 6075. E= 0.67541453E+03 F= 0.62759420E+03 E0= 0.65583140E+03 EK= 0.49469E+02 SP= -.19E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326824874046E+03 0.18499E+01 -0.10067E-01 7720 0.226E+01 0.168E-01 RMM: 2 -0.326836428444E+03 -0.11554E-01 -0.90587E-02 4841 0.744E-01 0.739E-01 RMM: 3 -0.326832666892E+03 0.37616E-02 -0.10560E-02 5869 0.198E-01 0.135E-01 RMM: 4 -0.326832443975E+03 0.22292E-03 -0.56151E-04 4653 0.556E-02 0.106E-01 RMM: 5 -0.326832374667E+03 0.69308E-04 -0.96112E-05 3610 0.287E-02 0.579E-02 RMM: 6 -0.326832358266E+03 0.16402E-04 -0.23118E-05 2543 0.140E-02 4357 T= 5808. E= 0.67542624E+03 F= 0.62943663E+03 E0= 0.65765607E+03 EK= 0.47295E+02 SP= -.16E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325326724793E+03 0.15056E+01 -0.90357E-02 7672 0.222E+01 0.171E-01 RMM: 2 -0.325338083268E+03 -0.11358E-01 -0.75478E-02 4978 0.668E-01 0.850E-01 RMM: 3 -0.325333138606E+03 0.49447E-02 -0.84515E-03 5593 0.188E-01 0.156E-01 RMM: 4 -0.325332938471E+03 0.20013E-03 -0.55589E-04 4780 0.506E-02 0.830E-02 RMM: 5 -0.325332888751E+03 0.49720E-04 -0.76931E-05 3566 0.246E-02 0.539E-02 RMM: 6 -0.325332877600E+03 0.11151E-04 -0.21506E-05 2537 0.138E-02 4358 T= 5587. E= 0.67543538E+03 F= 0.63093611E+03 E0= 0.65914300E+03 EK= 0.45498E+02 SP= -.12E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324276673850E+03 0.10562E+01 -0.86757E-02 7624 0.218E+01 0.256E-01 RMM: 2 -0.324297483758E+03 -0.20810E-01 -0.73744E-02 4987 0.675E-01 0.148E+00 RMM: 3 -0.324282245299E+03 0.15238E-01 -0.98978E-03 5387 0.236E-01 0.217E-01 RMM: 4 -0.324281906346E+03 0.33895E-03 -0.10499E-03 4627 0.676E-02 0.753E-02 RMM: 5 -0.324281889907E+03 0.16439E-04 -0.12832E-04 3972 0.269E-02 4359 T= 5426. E= 0.67544221E+03 F= 0.63198710E+03 E0= 0.66018943E+03 EK= 0.44187E+02 SP= -.91E+00 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323740095910E+03 0.54181E+00 -0.84134E-02 7688 0.216E+01 0.167E-01 RMM: 2 -0.323751945195E+03 -0.11849E-01 -0.65978E-02 5064 0.614E-01 0.944E-01 RMM: 3 -0.323745775293E+03 0.61699E-02 -0.74247E-03 5453 0.183E-01 0.180E-01 RMM: 4 -0.323745547648E+03 0.22764E-03 -0.65406E-04 4601 0.546E-02 0.775E-02 RMM: 5 -0.323745513376E+03 0.34272E-04 -0.86691E-05 3706 0.235E-02 0.633E-02 RMM: 6 -0.323745491858E+03 0.21518E-04 -0.20424E-05 2546 0.138E-02 0.408E-02 RMM: 7 -0.323745495299E+03 -0.34413E-05 -0.23252E-05 2525 0.149E-02 4360 T= 5333. E= 0.67544516E+03 F= 0.63252349E+03 E0= 0.66073132E+03 EK= 0.43428E+02 SP= -.63E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323737053351E+03 0.84385E-02 -0.83695E-02 7504 0.215E+01 0.195E-01 RMM: 2 -0.323747583979E+03 -0.10531E-01 -0.73183E-02 4796 0.664E-01 0.824E-01 RMM: 3 -0.323743031104E+03 0.45529E-02 -0.87465E-03 5590 0.191E-01 0.167E-01 RMM: 4 -0.323742864379E+03 0.16673E-03 -0.69544E-04 4659 0.578E-02 0.120E-01 RMM: 5 -0.323742798899E+03 0.65480E-04 -0.11113E-04 3696 0.257E-02 0.728E-02 RMM: 6 -0.323742765139E+03 0.33760E-04 -0.27240E-05 2754 0.164E-02 0.172E-02 RMM: 7 -0.323742767629E+03 -0.24906E-05 -0.99083E-06 2480 0.985E-03 4361 T= 5309. E= 0.67544401E+03 F= 0.63252622E+03 E0= 0.66075052E+03 EK= 0.43237E+02 SP= -.40E+00 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324237288091E+03 -0.49452E+00 -0.88258E-02 7752 0.216E+01 0.129E-01 RMM: 2 -0.324247340947E+03 -0.10053E-01 -0.84327E-02 4829 0.686E-01 0.608E-01 RMM: 3 -0.324244789378E+03 0.25516E-02 -0.98048E-03 6068 0.173E-01 0.102E-01 RMM: 4 -0.324244599373E+03 0.19000E-03 -0.43991E-04 4443 0.518E-02 0.894E-02 RMM: 5 -0.324244538597E+03 0.60776E-04 -0.65111E-05 3367 0.235E-02 0.462E-02 RMM: 6 -0.324244528984E+03 0.96129E-05 -0.18960E-05 2514 0.126E-02 4362 T= 5352. E= 0.67543995E+03 F= 0.63202446E+03 E0= 0.66027577E+03 EK= 0.43584E+02 SP= -.22E+00 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325171044624E+03 -0.92651E+00 -0.97555E-02 7552 0.218E+01 0.165E-01 RMM: 2 -0.325184711572E+03 -0.13667E-01 -0.98678E-02 4739 0.752E-01 0.840E-01 RMM: 3 -0.325179765504E+03 0.49461E-02 -0.11900E-02 5720 0.206E-01 0.163E-01 RMM: 4 -0.325179450765E+03 0.31474E-03 -0.67539E-04 4925 0.554E-02 0.601E-02 RMM: 5 -0.325179427018E+03 0.23747E-04 -0.84528E-05 3624 0.243E-02 0.568E-02 RMM: 6 -0.325179411530E+03 0.15488E-04 -0.20491E-05 2520 0.137E-02 4363 T= 5452. E= 0.67543324E+03 F= 0.63108958E+03 E0= 0.65937668E+03 EK= 0.44397E+02 SP= -.82E-01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326438516718E+03 -0.12591E+01 -0.94056E-02 7496 0.222E+01 0.259E-01 RMM: 2 -0.326458480786E+03 -0.19964E-01 -0.76940E-02 4992 0.690E-01 0.144E+00 RMM: 3 -0.326444459653E+03 0.14021E-01 -0.10384E-02 5382 0.237E-01 0.240E-01 RMM: 4 -0.326444053674E+03 0.40598E-03 -0.11395E-03 4658 0.691E-02 0.762E-02 RMM: 5 -0.326444029207E+03 0.24467E-04 -0.14353E-04 4040 0.276E-02 0.758E-02 RMM: 6 -0.326443995181E+03 0.34027E-04 -0.27221E-05 2661 0.163E-02 0.355E-02 RMM: 7 -0.326443996813E+03 -0.16325E-05 -0.14346E-05 2489 0.119E-02 4364 T= 5596. E= 0.67542478E+03 F= 0.62982499E+03 E0= 0.65815444E+03 EK= 0.45569E+02 SP= 0.17E-01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327911218477E+03 -0.14672E+01 -0.92118E-02 7640 0.225E+01 0.224E-01 RMM: 2 -0.327927432501E+03 -0.16214E-01 -0.67758E-02 5084 0.630E-01 0.125E+00 RMM: 3 -0.327916735286E+03 0.10697E-01 -0.88134E-03 5394 0.210E-01 0.223E-01 RMM: 4 -0.327916435018E+03 0.30027E-03 -0.10258E-03 4650 0.682E-02 0.108E-01 RMM: 5 -0.327916393029E+03 0.41989E-04 -0.15300E-04 3865 0.318E-02 0.887E-02 RMM: 6 -0.327916338033E+03 0.54996E-04 -0.34559E-05 2914 0.179E-02 0.295E-02 RMM: 7 -0.327916338209E+03 -0.17575E-06 -0.15644E-05 2496 0.121E-02 4365 T= 5769. E= 0.67541572E+03 F= 0.62835265E+03 E0= 0.65672782E+03 EK= 0.46977E+02 SP= 0.81E-01 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329464357267E+03 -0.15480E+01 -0.97158E-02 7608 0.229E+01 0.191E-01 RMM: 2 -0.329475635828E+03 -0.11279E-01 -0.69360E-02 5088 0.643E-01 0.936E-01 RMM: 3 -0.329469917018E+03 0.57188E-02 -0.77644E-03 5503 0.186E-01 0.147E-01 RMM: 4 -0.329469786282E+03 0.13074E-03 -0.62034E-04 4672 0.522E-02 0.101E-01 RMM: 5 -0.329469709461E+03 0.76821E-04 -0.93939E-05 3728 0.255E-02 0.605E-02 RMM: 6 -0.329469689102E+03 0.20359E-04 -0.23266E-05 2563 0.144E-02 0.366E-02 RMM: 7 -0.329469682719E+03 0.63831E-05 -0.16308E-05 2494 0.124E-02 4366 T= 5954. E= 0.67540744E+03 F= 0.62679931E+03 E0= 0.65521906E+03 EK= 0.48489E+02 SP= 0.12E+00 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330983991047E+03 -0.15143E+01 -0.10199E-01 7576 0.233E+01 0.151E-01 RMM: 2 -0.330992467081E+03 -0.84760E-02 -0.68796E-02 5064 0.639E-01 0.649E-01 RMM: 3 -0.330989804213E+03 0.26629E-02 -0.77119E-03 5848 0.164E-01 0.118E-01 RMM: 4 -0.330989643917E+03 0.16030E-03 -0.41520E-04 4347 0.468E-02 0.103E-01 RMM: 5 -0.330989564919E+03 0.78998E-04 -0.73887E-05 3510 0.254E-02 0.494E-02 RMM: 6 -0.330989555086E+03 0.98330E-05 -0.18961E-05 2520 0.124E-02 4367 T= 6138. E= 0.67540064E+03 F= 0.62527943E+03 E0= 0.65373945E+03 EK= 0.49988E+02 SP= 0.13E+00 SK= 0.14E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332377590636E+03 -0.13880E+01 -0.10977E-01 7632 0.237E+01 0.179E-01 RMM: 2 -0.332391770954E+03 -0.14180E-01 -0.93075E-02 4901 0.733E-01 0.948E-01 RMM: 3 -0.332385613523E+03 0.61574E-02 -0.10941E-02 5673 0.204E-01 0.164E-01 RMM: 4 -0.332385357271E+03 0.25625E-03 -0.67807E-04 4740 0.557E-02 0.886E-02 RMM: 5 -0.332385292377E+03 0.64893E-04 -0.10175E-04 3814 0.271E-02 0.555E-02 RMM: 6 -0.332385278759E+03 0.13618E-04 -0.21792E-05 2535 0.133E-02 4368 T= 6309. E= 0.67539606E+03 F= 0.62388371E+03 E0= 0.65237647E+03 EK= 0.51378E+02 SP= 0.13E+00 SK= 0.87E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.333590935749E+03 -0.12056E+01 -0.11358E-01 7448 0.240E+01 0.253E-01 RMM: 2 -0.333610541006E+03 -0.19605E-01 -0.82923E-02 5006 0.723E-01 0.141E+00 RMM: 3 -0.333597415852E+03 0.13125E-01 -0.10892E-02 5428 0.237E-01 0.225E-01 RMM: 4 -0.333597047181E+03 0.36867E-03 -0.10836E-03 4686 0.672E-02 0.807E-02 RMM: 5 -0.333597003977E+03 0.43204E-04 -0.13725E-04 3959 0.292E-02 0.711E-02 RMM: 6 -0.333596975881E+03 0.28096E-04 -0.27416E-05 2572 0.158E-02 0.413E-02 RMM: 7 -0.333596975438E+03 0.44346E-06 -0.19002E-05 2511 0.135E-02 4369 T= 6458. E= 0.67539345E+03 F= 0.62267201E+03 E0= 0.65118752E+03 EK= 0.52592E+02 SP= 0.13E+00 SK= 0.86E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.334588093960E+03 -0.99112E+00 -0.11799E-01 7520 0.242E+01 0.213E-01 RMM: 2 -0.334603212535E+03 -0.15119E-01 -0.98923E-02 4734 0.773E-01 0.981E-01 RMM: 3 -0.334596488402E+03 0.67241E-02 -0.12447E-02 5566 0.232E-01 0.235E-01 RMM: 4 -0.334596083440E+03 0.40496E-03 -0.10111E-03 4677 0.682E-02 0.845E-02 RMM: 5 -0.334596038177E+03 0.45263E-04 -0.14647E-04 4043 0.294E-02 0.643E-02 RMM: 6 -0.334596014938E+03 0.23240E-04 -0.26217E-05 2569 0.153E-02 0.287E-02 RMM: 7 -0.334596016786E+03 -0.18488E-05 -0.13385E-05 2483 0.119E-02 4370 T= 6582. E= 0.67539219E+03 F= 0.62167297E+03 E0= 0.65019925E+03 EK= 0.53598E+02 SP= 0.12E+00 SK= 0.67E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.335369695358E+03 -0.77368E+00 -0.11192E-01 7688 0.244E+01 0.162E-01 RMM: 2 -0.335380982685E+03 -0.11287E-01 -0.84485E-02 4922 0.699E-01 0.759E-01 RMM: 3 -0.335377004126E+03 0.39786E-02 -0.98467E-03 5851 0.186E-01 0.157E-01 RMM: 4 -0.335376733374E+03 0.27075E-03 -0.55299E-04 4548 0.536E-02 0.838E-02 RMM: 5 -0.335376686853E+03 0.46521E-04 -0.84270E-05 3563 0.253E-02 0.613E-02 RMM: 6 -0.335376665746E+03 0.21107E-04 -0.21954E-05 2542 0.142E-02 0.323E-02 RMM: 7 -0.335376658638E+03 0.71084E-05 -0.22387E-05 2519 0.136E-02 4371 T= 6678. E= 0.67539173E+03 F= 0.62089233E+03 E0= 0.64941654E+03 EK= 0.54382E+02 SP= 0.12E+00 SK= 0.13E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.335937846843E+03 -0.56118E+00 -0.11273E-01 7544 0.245E+01 0.159E-01 RMM: 2 -0.335949337794E+03 -0.11491E-01 -0.93595E-02 4949 0.728E-01 0.695E-01 RMM: 3 -0.335945915422E+03 0.34224E-02 -0.10846E-02 5902 0.187E-01 0.132E-01 RMM: 4 -0.335945652164E+03 0.26326E-03 -0.55611E-04 4662 0.531E-02 0.785E-02 RMM: 5 -0.335945612387E+03 0.39777E-04 -0.73312E-05 3504 0.244E-02 0.542E-02 RMM: 6 -0.335945597005E+03 0.15382E-04 -0.19380E-05 2519 0.135E-02 4372 T= 6748. E= 0.67539157E+03 F= 0.62032339E+03 E0= 0.64883411E+03 EK= 0.54948E+02 SP= 0.12E+00 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336299456691E+03 -0.35384E+00 -0.11756E-01 7552 0.246E+01 0.145E-01 RMM: 2 -0.336313129652E+03 -0.13673E-01 -0.10453E-01 4697 0.772E-01 0.777E-01 RMM: 3 -0.336308719840E+03 0.44098E-02 -0.12546E-02 5824 0.210E-01 0.126E-01 RMM: 4 -0.336308466775E+03 0.25307E-03 -0.57811E-04 4956 0.530E-02 0.663E-02 RMM: 5 -0.336308434332E+03 0.32443E-04 -0.68917E-05 3353 0.250E-02 0.482E-02 RMM: 6 -0.336308427536E+03 0.67968E-05 -0.18622E-05 2508 0.131E-02 4373 T= 6790. E= 0.67539103E+03 F= 0.61996056E+03 E0= 0.64844867E+03 EK= 0.55298E+02 SP= 0.13E+00 SK= 0.63E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336452085448E+03 -0.14365E+00 -0.11406E-01 7392 0.247E+01 0.198E-01 RMM: 2 -0.336467999354E+03 -0.15914E-01 -0.81040E-02 4787 0.692E-01 0.114E+00 RMM: 3 -0.336458845273E+03 0.91541E-02 -0.10397E-02 5455 0.222E-01 0.140E-01 RMM: 4 -0.336458713917E+03 0.13136E-03 -0.81409E-04 4893 0.564E-02 0.878E-02 RMM: 5 -0.336458668573E+03 0.45344E-04 -0.82947E-05 3632 0.268E-02 0.569E-02 RMM: 6 -0.336458651216E+03 0.17357E-04 -0.20988E-05 2529 0.136E-02 4374 T= 6806. E= 0.67538986E+03 F= 0.61981034E+03 E0= 0.64827004E+03 EK= 0.55423E+02 SP= 0.16E+00 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336369761458E+03 0.88907E-01 -0.11492E-01 7520 0.247E+01 0.213E-01 RMM: 2 -0.336384974659E+03 -0.15213E-01 -0.87788E-02 4755 0.728E-01 0.107E+00 RMM: 3 -0.336377115902E+03 0.78588E-02 -0.11327E-02 5447 0.233E-01 0.210E-01 RMM: 4 -0.336376777956E+03 0.33795E-03 -0.90994E-04 4808 0.617E-02 0.653E-02 RMM: 5 -0.336376757969E+03 0.19987E-04 -0.97687E-05 3889 0.266E-02 4375 T= 6791. E= 0.67538961E+03 F= 0.61989223E+03 E0= 0.64832086E+03 EK= 0.55304E+02 SP= 0.19E+00 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336030068613E+03 0.34671E+00 -0.10861E-01 7792 0.247E+01 0.161E-01 RMM: 2 -0.336041058080E+03 -0.10989E-01 -0.75309E-02 4822 0.669E-01 0.783E-01 RMM: 3 -0.336036746700E+03 0.43114E-02 -0.93141E-03 5591 0.197E-01 0.183E-01 RMM: 4 -0.336036467748E+03 0.27895E-03 -0.56938E-04 4632 0.524E-02 0.706E-02 RMM: 5 -0.336036437300E+03 0.30448E-04 -0.67510E-05 3400 0.233E-02 0.591E-02 RMM: 6 -0.336036427050E+03 0.10251E-04 -0.23050E-05 2521 0.146E-02 4376 T= 6744. E= 0.67539005E+03 F= 0.62023256E+03 E0= 0.64863121E+03 EK= 0.54916E+02 SP= 0.24E+00 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335409916610E+03 0.62652E+00 -0.11502E-01 7416 0.246E+01 0.270E-01 RMM: 2 -0.335433376021E+03 -0.23459E-01 -0.10018E-01 4665 0.791E-01 0.149E+00 RMM: 3 -0.335418084843E+03 0.15291E-01 -0.14204E-02 5381 0.272E-01 0.249E-01 RMM: 4 -0.335417658197E+03 0.42665E-03 -0.13564E-03 4838 0.732E-02 0.748E-02 RMM: 5 -0.335417675890E+03 -0.17694E-04 -0.17239E-04 3930 0.330E-02 4377 T= 6661. E= 0.67539194E+03 F= 0.62085131E+03 E0= 0.64922399E+03 EK= 0.54242E+02 SP= 0.29E+00 SK= 0.69E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334509728189E+03 0.90793E+00 -0.11106E-01 7744 0.244E+01 0.275E-01 RMM: 2 -0.334536611131E+03 -0.26883E-01 -0.96888E-02 4826 0.774E-01 0.166E+00 RMM: 3 -0.334517651802E+03 0.18959E-01 -0.13678E-02 5371 0.271E-01 0.279E-01 RMM: 4 -0.334517094360E+03 0.55744E-03 -0.14185E-03 4809 0.780E-02 0.769E-02 RMM: 5 -0.334517075959E+03 0.18401E-04 -0.17027E-04 4093 0.309E-02 4378 T= 6543. E= 0.67539634E+03 F= 0.62175191E+03 E0= 0.65010417E+03 EK= 0.53283E+02 SP= 0.35E+00 SK= 0.78E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333351855869E+03 0.11652E+01 -0.11711E-01 7608 0.241E+01 0.208E-01 RMM: 2 -0.333370858675E+03 -0.19003E-01 -0.11457E-01 4675 0.830E-01 0.114E+00 RMM: 3 -0.333361817979E+03 0.90407E-02 -0.14304E-02 5550 0.245E-01 0.214E-01 RMM: 4 -0.333361424880E+03 0.39310E-03 -0.99188E-04 5101 0.630E-02 0.630E-02 RMM: 5 -0.333361396056E+03 0.28825E-04 -0.12003E-04 3882 0.304E-02 0.649E-02 RMM: 6 -0.333361375943E+03 0.20113E-04 -0.31529E-05 2634 0.165E-02 0.486E-02 RMM: 7 -0.333361400743E+03 -0.24800E-04 -0.62405E-05 3500 0.200E-02 0.880E-02 RMM: 8 -0.333361349521E+03 0.51222E-04 -0.38462E-05 2745 0.181E-02 0.269E-02 RMM: 9 -0.333361347476E+03 0.20446E-05 -0.12827E-05 2459 0.104E-02 4379 T= 6394. E= 0.67540153E+03 F= 0.62290764E+03 E0= 0.65124730E+03 EK= 0.52070E+02 SP= 0.42E+00 SK= 0.75E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332005763366E+03 0.13556E+01 -0.10852E-01 7488 0.237E+01 0.204E-01 RMM: 2 -0.332017176793E+03 -0.11413E-01 -0.90081E-02 4771 0.732E-01 0.763E-01 RMM: 3 -0.332013208098E+03 0.39687E-02 -0.10892E-02 5792 0.199E-01 0.166E-01 RMM: 4 -0.332013134435E+03 0.73662E-04 -0.85142E-04 4717 0.707E-02 0.191E-01 RMM: 5 -0.332012921519E+03 0.21292E-03 -0.17783E-04 3846 0.353E-02 0.888E-02 RMM: 6 -0.332012869651E+03 0.51868E-04 -0.38069E-05 3025 0.191E-02 0.238E-02 RMM: 7 -0.332012877560E+03 -0.79089E-05 -0.16879E-05 2498 0.127E-02 4380 T= 6222. E= 0.67540905E+03 F= 0.62425611E+03 E0= 0.65259016E+03 EK= 0.50672E+02 SP= 0.48E+00 SK= 0.58E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330558590019E+03 0.14543E+01 -0.10442E-01 7424 0.233E+01 0.150E-01 RMM: 2 -0.330568551174E+03 -0.99612E-02 -0.82921E-02 4960 0.698E-01 0.645E-01 RMM: 3 -0.330565844202E+03 0.27070E-02 -0.97363E-03 5868 0.182E-01 0.124E-01 RMM: 4 -0.330565631374E+03 0.21283E-03 -0.45401E-04 4594 0.485E-02 0.766E-02 RMM: 5 -0.330565585673E+03 0.45701E-04 -0.60031E-05 3351 0.222E-02 0.496E-02 RMM: 6 -0.330565577348E+03 0.83245E-05 -0.18536E-05 2510 0.128E-02 4381 T= 6040. E= 0.67541867E+03 F= 0.62570341E+03 E0= 0.65403868E+03 EK= 0.49188E+02 SP= 0.52E+00 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329128860965E+03 0.14367E+01 -0.99751E-02 7304 0.228E+01 0.192E-01 RMM: 2 -0.329143403512E+03 -0.14543E-01 -0.86316E-02 4886 0.708E-01 0.102E+00 RMM: 3 -0.329136236554E+03 0.71670E-02 -0.10381E-02 5538 0.209E-01 0.168E-01 RMM: 4 -0.329136004736E+03 0.23182E-03 -0.72112E-04 4909 0.540E-02 0.758E-02 RMM: 5 -0.329135969852E+03 0.34884E-04 -0.85256E-05 3675 0.257E-02 0.621E-02 RMM: 6 -0.329135952083E+03 0.17769E-04 -0.23329E-05 2554 0.145E-02 4382 T= 5862. E= 0.67542905E+03 F= 0.62713304E+03 E0= 0.65547503E+03 EK= 0.47740E+02 SP= 0.55E+00 SK= 0.70E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327844234380E+03 0.12917E+01 -0.91389E-02 7336 0.224E+01 0.265E-01 RMM: 2 -0.327866705033E+03 -0.22471E-01 -0.74715E-02 5085 0.676E-01 0.156E+00 RMM: 3 -0.327850068004E+03 0.16637E-01 -0.10819E-02 5363 0.244E-01 0.231E-01 RMM: 4 -0.327849684481E+03 0.38352E-03 -0.11476E-03 4647 0.687E-02 0.717E-02 RMM: 5 -0.327849663493E+03 0.20988E-04 -0.12396E-04 4130 0.260E-02 0.746E-02 RMM: 6 -0.327849631204E+03 0.32289E-04 -0.21512E-05 2555 0.140E-02 0.395E-02 RMM: 7 -0.327849635774E+03 -0.45692E-05 -0.21710E-05 2514 0.148E-02 4383 T= 5705. E= 0.67543857E+03 F= 0.62841935E+03 E0= 0.65677232E+03 EK= 0.46458E+02 SP= 0.56E+00 SK= 0.15E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326819671332E+03 0.10300E+01 -0.89102E-02 7504 0.220E+01 0.247E-01 RMM: 2 -0.326836099236E+03 -0.16428E-01 -0.80029E-02 4953 0.694E-01 0.121E+00 RMM: 3 -0.326825956607E+03 0.10143E-01 -0.10106E-02 5386 0.228E-01 0.242E-01 RMM: 4 -0.326825566488E+03 0.39012E-03 -0.11251E-03 4653 0.722E-02 0.925E-02 RMM: 5 -0.326825569836E+03 -0.33471E-05 -0.16352E-04 3876 0.320E-02 4384 T= 5583. E= 0.67544628E+03 F= 0.62944342E+03 E0= 0.65781127E+03 EK= 0.45462E+02 SP= 0.54E+00 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326153299233E+03 0.67227E+00 -0.86389E-02 7424 0.218E+01 0.141E-01 RMM: 2 -0.326162274062E+03 -0.89748E-02 -0.69385E-02 5105 0.621E-01 0.647E-01 RMM: 3 -0.326159367632E+03 0.29064E-02 -0.72688E-03 5689 0.164E-01 0.114E-01 RMM: 4 -0.326159236179E+03 0.13145E-03 -0.40180E-04 4339 0.435E-02 0.897E-02 RMM: 5 -0.326159177903E+03 0.58276E-04 -0.55954E-05 3293 0.209E-02 0.567E-02 RMM: 6 -0.326159164666E+03 0.13237E-04 -0.21798E-05 2518 0.140E-02 4385 T= 5508. E= 0.67545174E+03 F= 0.63010982E+03 E0= 0.65849709E+03 EK= 0.44851E+02 SP= 0.48E+00 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325905582050E+03 0.25360E+00 -0.92708E-02 7624 0.217E+01 0.220E-01 RMM: 2 -0.325924274752E+03 -0.18693E-01 -0.89400E-02 4824 0.728E-01 0.128E+00 RMM: 3 -0.325912950967E+03 0.11324E-01 -0.10955E-02 5427 0.230E-01 0.220E-01 RMM: 4 -0.325912594301E+03 0.35667E-03 -0.96246E-04 4832 0.621E-02 0.598E-02 RMM: 5 -0.325912594541E+03 -0.23998E-06 -0.11585E-04 3819 0.277E-02 4386 T= 5488. E= 0.67545418E+03 F= 0.63035639E+03 E0= 0.65876615E+03 EK= 0.44689E+02 SP= 0.38E+00 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326101264497E+03 -0.18867E+00 -0.89284E-02 7656 0.217E+01 0.211E-01 RMM: 2 -0.326118672393E+03 -0.17408E-01 -0.71916E-02 5076 0.649E-01 0.129E+00 RMM: 3 -0.326107290639E+03 0.11382E-01 -0.90931E-03 5414 0.213E-01 0.198E-01 RMM: 4 -0.326107016183E+03 0.27446E-03 -0.84940E-04 4695 0.584E-02 0.826E-02 RMM: 5 -0.326106982193E+03 0.33990E-04 -0.10037E-04 3771 0.259E-02 0.733E-02 RMM: 6 -0.326106948792E+03 0.33402E-04 -0.23734E-05 2570 0.148E-02 0.396E-02 RMM: 7 -0.326106948461E+03 0.33066E-06 -0.16311E-05 2509 0.124E-02 4387 T= 5526. E= 0.67545404E+03 F= 0.63016204E+03 E0= 0.65859852E+03 EK= 0.44998E+02 SP= 0.25E+00 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326716471921E+03 -0.60952E+00 -0.96708E-02 7672 0.219E+01 0.186E-01 RMM: 2 -0.326727989540E+03 -0.11518E-01 -0.77261E-02 4882 0.672E-01 0.857E-01 RMM: 3 -0.326722940003E+03 0.50495E-02 -0.88952E-03 5637 0.188E-01 0.161E-01 RMM: 4 -0.326722760204E+03 0.17980E-03 -0.65521E-04 4633 0.575E-02 0.114E-01 RMM: 5 -0.326722726004E+03 0.34200E-04 -0.11139E-04 3682 0.272E-02 0.908E-02 RMM: 6 -0.326722672209E+03 0.53795E-04 -0.34186E-05 2961 0.183E-02 0.219E-02 RMM: 7 -0.326722674826E+03 -0.26171E-05 -0.11843E-05 2482 0.106E-02 4388 T= 5619. E= 0.67545025E+03 F= 0.62954631E+03 E0= 0.65801319E+03 EK= 0.45759E+02 SP= 0.73E-01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327695521616E+03 -0.97285E+00 -0.96090E-02 7592 0.222E+01 0.159E-01 RMM: 2 -0.327705072823E+03 -0.95512E-02 -0.76596E-02 5110 0.667E-01 0.675E-01 RMM: 3 -0.327702059137E+03 0.30137E-02 -0.82341E-03 5823 0.168E-01 0.114E-01 RMM: 4 -0.327701908471E+03 0.15067E-03 -0.44347E-04 4421 0.484E-02 0.116E-01 RMM: 5 -0.327701812298E+03 0.96174E-04 -0.79941E-05 3533 0.254E-02 0.548E-02 RMM: 6 -0.327701795027E+03 0.17270E-04 -0.21948E-05 2547 0.138E-02 4389 T= 5761. E= 0.67544483E+03 F= 0.62856719E+03 E0= 0.65706698E+03 EK= 0.46914E+02 SP= -.13E+00 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328952973350E+03 -0.12512E+01 -0.10029E-01 7504 0.226E+01 0.165E-01 RMM: 2 -0.328965198015E+03 -0.12225E-01 -0.83319E-02 5003 0.690E-01 0.857E-01 RMM: 3 -0.328960178975E+03 0.50190E-02 -0.93788E-03 5678 0.187E-01 0.156E-01 RMM: 4 -0.328959923729E+03 0.25525E-03 -0.55410E-04 4688 0.508E-02 0.709E-02 RMM: 5 -0.328959888855E+03 0.34873E-04 -0.70724E-05 3528 0.226E-02 0.592E-02 RMM: 6 -0.328959872901E+03 0.15954E-04 -0.19668E-05 2522 0.132E-02 4390 T= 5941. E= 0.67543795E+03 F= 0.62730912E+03 E0= 0.65584421E+03 EK= 0.48377E+02 SP= -.37E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330387839418E+03 -0.14280E+01 -0.10181E-01 7472 0.231E+01 0.304E-01 RMM: 2 -0.330411352910E+03 -0.23513E-01 -0.88163E-02 5057 0.747E-01 0.158E+00 RMM: 3 -0.330394553032E+03 0.16800E-01 -0.12575E-02 5361 0.266E-01 0.284E-01 RMM: 4 -0.330393995641E+03 0.55739E-03 -0.14288E-03 4727 0.772E-02 0.107E-01 RMM: 5 -0.330393960357E+03 0.35284E-04 -0.19251E-04 3886 0.345E-02 0.101E-01 RMM: 6 -0.330393892876E+03 0.67481E-04 -0.46558E-05 3122 0.208E-02 0.435E-02 RMM: 7 -0.330393887696E+03 0.51800E-05 -0.16193E-05 2501 0.126E-02 4391 T= 6145. E= 0.67543039E+03 F= 0.62587510E+03 E0= 0.65444588E+03 EK= 0.50042E+02 SP= -.63E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331886329974E+03 -0.14924E+01 -0.10789E-01 7312 0.236E+01 0.226E-01 RMM: 2 -0.331901736676E+03 -0.15407E-01 -0.88792E-02 5036 0.719E-01 0.108E+00 RMM: 3 -0.331893799721E+03 0.79370E-02 -0.10621E-02 5432 0.220E-01 0.237E-01 RMM: 4 -0.331893438525E+03 0.36120E-03 -0.10575E-03 4685 0.703E-02 0.121E-01 RMM: 5 -0.331893390931E+03 0.47595E-04 -0.17422E-04 3869 0.342E-02 0.104E-01 RMM: 6 -0.331893317608E+03 0.73322E-04 -0.45738E-05 3122 0.205E-02 0.320E-02 RMM: 7 -0.331893316382E+03 0.12259E-05 -0.17066E-05 2509 0.125E-02 4392 T= 6360. E= 0.67542277E+03 F= 0.62437567E+03 E0= 0.65297983E+03 EK= 0.51793E+02 SP= -.90E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333340089214E+03 -0.14468E+01 -0.12130E-01 7648 0.240E+01 0.211E-01 RMM: 2 -0.333357705757E+03 -0.17617E-01 -0.11584E-01 4847 0.822E-01 0.106E+00 RMM: 3 -0.333350035765E+03 0.76700E-02 -0.13809E-02 5633 0.231E-01 0.181E-01 RMM: 4 -0.333349722947E+03 0.31282E-03 -0.90801E-04 4916 0.644E-02 0.104E-01 RMM: 5 -0.333349654651E+03 0.68296E-04 -0.13704E-04 3872 0.317E-02 0.700E-02 RMM: 6 -0.333349624354E+03 0.30296E-04 -0.33054E-05 2793 0.173E-02 0.374E-02 RMM: 7 -0.333349622373E+03 0.19810E-05 -0.16239E-05 2497 0.127E-02 4393 T= 6572. E= 0.67541568E+03 F= 0.62291937E+03 E0= 0.65155229E+03 EK= 0.53517E+02 SP= -.12E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334653112573E+03 -0.13035E+01 -0.12496E-01 7728 0.244E+01 0.159E-01 RMM: 2 -0.334665587078E+03 -0.12475E-01 -0.10794E-01 4895 0.783E-01 0.660E-01 RMM: 3 -0.334662556418E+03 0.30307E-02 -0.12436E-02 5910 0.200E-01 0.124E-01 RMM: 4 -0.334662311180E+03 0.24524E-03 -0.57963E-04 4753 0.558E-02 0.108E-01 RMM: 5 -0.334662225761E+03 0.85418E-04 -0.90918E-05 3643 0.280E-02 0.517E-02 RMM: 6 -0.334662213139E+03 0.12622E-04 -0.22011E-05 2531 0.137E-02 4394 T= 6766. E= 0.67540930E+03 F= 0.62160678E+03 E0= 0.65026121E+03 EK= 0.55102E+02 SP= -.14E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335733405762E+03 -0.10712E+01 -0.12376E-01 7696 0.248E+01 0.154E-01 RMM: 2 -0.335744398042E+03 -0.10992E-01 -0.86647E-02 4904 0.706E-01 0.702E-01 RMM: 3 -0.335740994005E+03 0.34040E-02 -0.99652E-03 5725 0.191E-01 0.149E-01 RMM: 4 -0.335740762808E+03 0.23120E-03 -0.52794E-04 4582 0.531E-02 0.886E-02 RMM: 5 -0.335740702929E+03 0.59880E-04 -0.81465E-05 3569 0.255E-02 0.594E-02 RMM: 6 -0.335740686227E+03 0.16702E-04 -0.22405E-05 2530 0.142E-02 4395 T= 6932. E= 0.67540433E+03 F= 0.62052830E+03 E0= 0.64919492E+03 EK= 0.56452E+02 SP= -.17E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336505220656E+03 -0.76452E+00 -0.12710E-01 7520 0.251E+01 0.255E-01 RMM: 2 -0.336524819844E+03 -0.19599E-01 -0.77172E-02 5029 0.702E-01 0.142E+00 RMM: 3 -0.336511204545E+03 0.13615E-01 -0.10423E-02 5377 0.239E-01 0.237E-01 RMM: 4 -0.336510787208E+03 0.41734E-03 -0.10579E-03 4669 0.676E-02 0.735E-02 RMM: 5 -0.336510755944E+03 0.31265E-04 -0.12267E-04 3935 0.284E-02 0.726E-02 RMM: 6 -0.336510726167E+03 0.29776E-04 -0.25499E-05 2560 0.154E-02 0.426E-02 RMM: 7 -0.336510725319E+03 0.84825E-06 -0.18880E-05 2498 0.138E-02 4396 T= 7059. E= 0.67540046E+03 F= 0.61975826E+03 E0= 0.64842605E+03 EK= 0.57483E+02 SP= -.20E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336910947220E+03 -0.40022E+00 -0.12691E-01 7400 0.253E+01 0.187E-01 RMM: 2 -0.336922909372E+03 -0.11962E-01 -0.72890E-02 4937 0.662E-01 0.929E-01 RMM: 3 -0.336917000358E+03 0.59090E-02 -0.86412E-03 5453 0.200E-01 0.199E-01 RMM: 4 -0.336916765196E+03 0.23516E-03 -0.79139E-04 4636 0.632E-02 0.115E-01 RMM: 5 -0.336916716455E+03 0.48742E-04 -0.13852E-04 3840 0.325E-02 0.870E-02 RMM: 6 -0.336916664994E+03 0.51461E-04 -0.33359E-05 2912 0.182E-02 0.293E-02 RMM: 7 -0.336916666926E+03 -0.19322E-05 -0.15845E-05 2493 0.126E-02 4397 T= 7139. E= 0.67539867E+03 F= 0.61935232E+03 E0= 0.64800924E+03 EK= 0.58132E+02 SP= -.22E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336922853894E+03 -0.61889E-02 -0.13159E-01 7512 0.254E+01 0.165E-01 RMM: 2 -0.336935407708E+03 -0.12554E-01 -0.93779E-02 4815 0.739E-01 0.807E-01 RMM: 3 -0.336930944219E+03 0.44635E-02 -0.11089E-02 5704 0.206E-01 0.148E-01 RMM: 4 -0.336930710322E+03 0.23390E-03 -0.58577E-04 4741 0.550E-02 0.853E-02 RMM: 5 -0.336930661009E+03 0.49313E-04 -0.83936E-05 3631 0.253E-02 0.636E-02 RMM: 6 -0.336930639364E+03 0.21645E-04 -0.24481E-05 2551 0.151E-02 0.373E-02 RMM: 7 -0.336930637725E+03 0.16389E-05 -0.17513E-05 2496 0.127E-02 4398 T= 7167. E= 0.67539921E+03 F= 0.61933835E+03 E0= 0.64797098E+03 EK= 0.58367E+02 SP= -.24E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336549877743E+03 0.38076E+00 -0.12503E-01 7648 0.255E+01 0.151E-01 RMM: 2 -0.336559882177E+03 -0.10004E-01 -0.80004E-02 4844 0.681E-01 0.673E-01 RMM: 3 -0.336556661242E+03 0.32209E-02 -0.91527E-03 5807 0.188E-01 0.126E-01 RMM: 4 -0.336556487199E+03 0.17404E-03 -0.43371E-04 4598 0.491E-02 0.900E-02 RMM: 5 -0.336556441073E+03 0.46126E-04 -0.66119E-05 3377 0.248E-02 0.552E-02 RMM: 6 -0.336556425083E+03 0.15990E-04 -0.21323E-05 2538 0.141E-02 4399 T= 7145. E= 0.67540198E+03 F= 0.61971256E+03 E0= 0.64830952E+03 EK= 0.58188E+02 SP= -.26E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335820158572E+03 0.73628E+00 -0.13313E-01 7680 0.254E+01 0.172E-01 RMM: 2 -0.335835246017E+03 -0.15087E-01 -0.10733E-01 4744 0.789E-01 0.896E-01 RMM: 3 -0.335829587351E+03 0.56587E-02 -0.12913E-02 5769 0.221E-01 0.151E-01 RMM: 4 -0.335829315737E+03 0.27161E-03 -0.65374E-04 4745 0.582E-02 0.937E-02 RMM: 5 -0.335829262946E+03 0.52791E-04 -0.92107E-05 3663 0.274E-02 0.610E-02 RMM: 6 -0.335829245518E+03 0.17427E-04 -0.23738E-05 2544 0.143E-02 4400 T= 7077. E= 0.67540773E+03 F= 0.62043974E+03 E0= 0.64899064E+03 EK= 0.57630E+02 SP= -.27E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334814043133E+03 0.10152E+01 -0.13244E-01 7448 0.252E+01 0.271E-01 RMM: 2 -0.334836734697E+03 -0.22692E-01 -0.89617E-02 4972 0.738E-01 0.150E+00 RMM: 3 -0.334821148090E+03 0.15587E-01 -0.12112E-02 5400 0.258E-01 0.264E-01 RMM: 4 -0.334820640372E+03 0.50772E-03 -0.12135E-03 4727 0.721E-02 0.796E-02 RMM: 5 -0.334820619964E+03 0.20407E-04 -0.13497E-04 3979 0.286E-02 0.792E-02 RMM: 6 -0.334820584438E+03 0.35527E-04 -0.24465E-05 2582 0.148E-02 0.486E-02 RMM: 7 -0.334820591888E+03 -0.74507E-05 -0.22115E-05 2551 0.149E-02 4401 T= 6971. E= 0.67541560E+03 F= 0.62144840E+03 E0= 0.64994658E+03 EK= 0.56768E+02 SP= -.28E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333622320947E+03 0.11983E+01 -0.13473E-01 7456 0.250E+01 0.257E-01 RMM: 2 -0.333641608459E+03 -0.19288E-01 -0.11339E-01 4830 0.812E-01 0.120E+00 RMM: 3 -0.333631545849E+03 0.10063E-01 -0.14164E-02 5462 0.262E-01 0.252E-01 RMM: 4 -0.333631177491E+03 0.36836E-03 -0.13672E-03 4859 0.798E-02 0.135E-01 RMM: 5 -0.333631132368E+03 0.45123E-04 -0.21060E-04 3888 0.358E-02 0.117E-01 RMM: 6 -0.333631043989E+03 0.88379E-04 -0.58623E-05 3317 0.226E-02 0.278E-02 RMM: 7 -0.333631047190E+03 -0.32012E-05 -0.14962E-05 2507 0.118E-02 4402 T= 6840. E= 0.67542499E+03 F= 0.62263794E+03 E0= 0.65108023E+03 EK= 0.55704E+02 SP= -.29E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332369293386E+03 0.12618E+01 -0.12398E-01 7656 0.247E+01 0.220E-01 RMM: 2 -0.332387179050E+03 -0.17886E-01 -0.10788E-01 4864 0.800E-01 0.113E+00 RMM: 3 -0.332378481153E+03 0.86979E-02 -0.12800E-02 5566 0.238E-01 0.196E-01 RMM: 4 -0.332378162530E+03 0.31862E-03 -0.88159E-04 4737 0.643E-02 0.104E-01 RMM: 5 -0.332378094493E+03 0.68037E-04 -0.12632E-04 3837 0.309E-02 0.709E-02 RMM: 6 -0.332378065263E+03 0.29230E-04 -0.31060E-05 2761 0.165E-02 0.462E-02 RMM: 7 -0.332378061795E+03 0.34677E-05 -0.26220E-05 2569 0.151E-02 4403 T= 6700. E= 0.67543427E+03 F= 0.62389093E+03 E0= 0.65227939E+03 EK= 0.54561E+02 SP= -.30E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331170922534E+03 0.12071E+01 -0.11794E-01 7696 0.244E+01 0.148E-01 RMM: 2 -0.331180929556E+03 -0.10007E-01 -0.88182E-02 4923 0.720E-01 0.577E-01 RMM: 3 -0.331178598239E+03 0.23313E-02 -0.99321E-03 5898 0.189E-01 0.112E-01 RMM: 4 -0.331178442616E+03 0.15562E-03 -0.45323E-04 4606 0.496E-02 0.101E-01 RMM: 5 -0.331178377960E+03 0.64656E-04 -0.69869E-05 3439 0.256E-02 0.498E-02 RMM: 6 -0.331178369329E+03 0.86314E-05 -0.20530E-05 2537 0.135E-02 4404 T= 6565. E= 0.67544186E+03 F= 0.62509062E+03 E0= 0.65342976E+03 EK= 0.53460E+02 SP= -.31E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330114218867E+03 0.10642E+01 -0.12333E-01 7584 0.241E+01 0.190E-01 RMM: 2 -0.330131661494E+03 -0.17443E-01 -0.12291E-01 4764 0.842E-01 0.963E-01 RMM: 3 -0.330125009365E+03 0.66521E-02 -0.14451E-02 5773 0.231E-01 0.174E-01 RMM: 4 -0.330124665194E+03 0.34417E-03 -0.79210E-04 4730 0.643E-02 0.973E-02 RMM: 5 -0.330124616264E+03 0.48930E-04 -0.11590E-04 3742 0.295E-02 0.662E-02 RMM: 6 -0.330124591578E+03 0.24686E-04 -0.26845E-05 2579 0.154E-02 0.365E-02 RMM: 7 -0.330124594270E+03 -0.26924E-05 -0.18229E-05 2500 0.136E-02 4405 T= 6447. E= 0.67544660E+03 F= 0.62614440E+03 E0= 0.65444359E+03 EK= 0.52498E+02 SP= -.32E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329261544695E+03 0.86305E+00 -0.11369E-01 7704 0.240E+01 0.169E-01 RMM: 2 -0.329273469917E+03 -0.11925E-01 -0.90166E-02 4869 0.729E-01 0.768E-01 RMM: 3 -0.329269292361E+03 0.41776E-02 -0.10417E-02 5730 0.203E-01 0.159E-01 RMM: 4 -0.329269056665E+03 0.23570E-03 -0.61824E-04 4657 0.566E-02 0.869E-02 RMM: 5 -0.329269025360E+03 0.31306E-04 -0.87726E-05 3616 0.251E-02 0.712E-02 RMM: 6 -0.329268995969E+03 0.29391E-04 -0.24018E-05 2563 0.152E-02 0.296E-02 RMM: 7 -0.329269001526E+03 -0.55572E-05 -0.15225E-05 2500 0.120E-02 4406 T= 6353. E= 0.67544821E+03 F= 0.62699999E+03 E0= 0.65527010E+03 EK= 0.51731E+02 SP= -.33E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328611364685E+03 0.65763E+00 -0.11283E-01 7912 0.239E+01 0.156E-01 RMM: 2 -0.328622512180E+03 -0.11147E-01 -0.90023E-02 4858 0.717E-01 0.688E-01 RMM: 3 -0.328619248692E+03 0.32635E-02 -0.10568E-02 5876 0.196E-01 0.143E-01 RMM: 4 -0.328619004541E+03 0.24415E-03 -0.51282E-04 4623 0.525E-02 0.851E-02 RMM: 5 -0.328618968781E+03 0.35761E-04 -0.74639E-05 3462 0.246E-02 0.635E-02 RMM: 6 -0.328618947054E+03 0.21727E-04 -0.23332E-05 2552 0.149E-02 0.325E-02 RMM: 7 -0.328618949542E+03 -0.24884E-05 -0.14917E-05 2495 0.120E-02 4407 T= 6284. E= 0.67544667E+03 F= 0.62765004E+03 E0= 0.65590384E+03 EK= 0.51171E+02 SP= -.34E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328131353757E+03 0.48759E+00 -0.11324E-01 7872 0.239E+01 0.134E-01 RMM: 2 -0.328141549951E+03 -0.10196E-01 -0.91199E-02 4899 0.706E-01 0.544E-01 RMM: 3 -0.328139377114E+03 0.21728E-02 -0.10425E-02 6039 0.187E-01 0.107E-01 RMM: 4 -0.328139176442E+03 0.20067E-03 -0.40912E-04 4522 0.478E-02 0.933E-02 RMM: 5 -0.328139121390E+03 0.55052E-04 -0.58260E-05 3298 0.236E-02 0.523E-02 RMM: 6 -0.328139110166E+03 0.11223E-04 -0.20323E-05 2518 0.135E-02 4408 T= 6237. E= 0.67544312E+03 F= 0.62812988E+03 E0= 0.65637958E+03 EK= 0.50787E+02 SP= -.35E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327758511877E+03 0.38061E+00 -0.11233E-01 7736 0.239E+01 0.164E-01 RMM: 2 -0.327771917068E+03 -0.13405E-01 -0.98992E-02 4928 0.730E-01 0.818E-01 RMM: 3 -0.327767140986E+03 0.47761E-02 -0.11278E-02 5778 0.206E-01 0.159E-01 RMM: 4 -0.327766865846E+03 0.27514E-03 -0.60099E-04 4803 0.531E-02 0.773E-02 RMM: 5 -0.327766829129E+03 0.36717E-04 -0.70739E-05 3516 0.231E-02 0.597E-02 RMM: 6 -0.327766817297E+03 0.11831E-04 -0.20150E-05 2522 0.136E-02 4409 T= 6204. E= 0.67543952E+03 F= 0.62850217E+03 E0= 0.65675917E+03 EK= 0.50518E+02 SP= -.36E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327427700006E+03 0.33913E+00 -0.11194E-01 7616 0.239E+01 0.262E-01 RMM: 2 -0.327451824991E+03 -0.24125E-01 -0.10718E-01 4958 0.779E-01 0.148E+00 RMM: 3 -0.327436455585E+03 0.15369E-01 -0.13808E-02 5456 0.261E-01 0.236E-01 RMM: 4 -0.327436019116E+03 0.43647E-03 -0.12677E-03 4818 0.709E-02 0.794E-02 RMM: 5 -0.327435992228E+03 0.26888E-04 -0.13940E-04 4143 0.285E-02 0.755E-02 RMM: 6 -0.327435964525E+03 0.27703E-04 -0.23755E-05 2561 0.144E-02 0.517E-02 RMM: 7 -0.327435976327E+03 -0.11802E-04 -0.26531E-05 2610 0.159E-02 4410 T= 6177. E= 0.67543667E+03 F= 0.62883301E+03 E0= 0.65710702E+03 EK= 0.50303E+02 SP= -.37E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327087197468E+03 0.34877E+00 -0.11249E-01 7568 0.239E+01 0.255E-01 RMM: 2 -0.327107081227E+03 -0.19884E-01 -0.11323E-01 4887 0.790E-01 0.123E+00 RMM: 3 -0.327096513301E+03 0.10568E-01 -0.14022E-02 5536 0.253E-01 0.241E-01 RMM: 4 -0.327096128731E+03 0.38457E-03 -0.13205E-03 4785 0.778E-02 0.121E-01 RMM: 5 -0.327096116008E+03 0.12723E-04 -0.19147E-04 3900 0.326E-02 4411 T= 6151. E= 0.67543589E+03 F= 0.62917287E+03 E0= 0.65747178E+03 EK= 0.50091E+02 SP= -.39E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326712910369E+03 0.38322E+00 -0.11572E-01 7656 0.239E+01 0.198E-01 RMM: 2 -0.326733712683E+03 -0.20802E-01 -0.13309E-01 4961 0.833E-01 0.114E+00 RMM: 3 -0.326724459102E+03 0.92536E-02 -0.14989E-02 5783 0.232E-01 0.182E-01 RMM: 4 -0.326724075991E+03 0.38311E-03 -0.82861E-04 4956 0.607E-02 0.903E-02 RMM: 5 -0.326724008542E+03 0.67449E-04 -0.10462E-04 4067 0.258E-02 0.684E-02 RMM: 6 -0.326723997751E+03 0.10791E-04 -0.33390E-05 2769 0.170E-02 4412 T= 6123. E= 0.67543736E+03 F= 0.62954499E+03 E0= 0.65787279E+03 EK= 0.49862E+02 SP= -.40E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326319311203E+03 0.40470E+00 -0.12076E-01 7720 0.238E+01 0.291E-01 RMM: 2 -0.326351415654E+03 -0.32104E-01 -0.13978E-01 4847 0.881E-01 0.169E+00 RMM: 3 -0.326330721051E+03 0.20695E-01 -0.17951E-02 5452 0.292E-01 0.240E-01 RMM: 4 -0.326330296833E+03 0.42422E-03 -0.16960E-03 5035 0.794E-02 0.101E-01 RMM: 5 -0.326330255985E+03 0.40847E-04 -0.18241E-04 4072 0.302E-02 0.902E-02 RMM: 6 -0.326330204872E+03 0.51114E-04 -0.33404E-05 2926 0.172E-02 0.409E-02 RMM: 7 -0.326330205163E+03 -0.29115E-06 -0.17390E-05 2509 0.131E-02 4413 T= 6094. E= 0.67544038E+03 F= 0.62993878E+03 E0= 0.65829769E+03 EK= 0.49626E+02 SP= -.42E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325944051085E+03 0.38615E+00 -0.11603E-01 7552 0.236E+01 0.358E-01 RMM: 2 -0.325982730979E+03 -0.38680E-01 -0.13699E-01 4883 0.897E-01 0.201E+00 RMM: 3 -0.325954708409E+03 0.28023E-01 -0.19447E-02 5411 0.324E-01 0.346E-01 RMM: 4 -0.325953848454E+03 0.85996E-03 -0.22354E-03 5112 0.977E-02 0.110E-01 RMM: 5 -0.325953885506E+03 -0.37052E-04 -0.28154E-04 3926 0.371E-02 0.145E-01 RMM: 6 -0.325953740161E+03 0.14534E-03 -0.71199E-05 3468 0.238E-02 0.379E-02 RMM: 7 -0.325953736602E+03 0.35586E-05 -0.18122E-05 2535 0.123E-02 4414 T= 6069. E= 0.67544460E+03 F= 0.63031525E+03 E0= 0.65870497E+03 EK= 0.49421E+02 SP= -.44E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325637315158E+03 0.31643E+00 -0.11646E-01 7648 0.235E+01 0.263E-01 RMM: 2 -0.325662905366E+03 -0.25590E-01 -0.11098E-01 4992 0.789E-01 0.154E+00 RMM: 3 -0.325646347048E+03 0.16558E-01 -0.13884E-02 5457 0.258E-01 0.222E-01 RMM: 4 -0.325645984132E+03 0.36292E-03 -0.12443E-03 4822 0.701E-02 0.994E-02 RMM: 5 -0.325645940483E+03 0.43649E-04 -0.14607E-04 3901 0.306E-02 0.839E-02 RMM: 6 -0.325645895413E+03 0.45070E-04 -0.30151E-05 2763 0.162E-02 0.462E-02 RMM: 7 -0.325645896469E+03 -0.10557E-05 -0.23046E-05 2547 0.149E-02 4415 T= 6054. E= 0.67544811E+03 F= 0.63062309E+03 E0= 0.65904247E+03 EK= 0.49300E+02 SP= -.46E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325445599176E+03 0.20030E+00 -0.10892E-01 7744 0.234E+01 0.180E-01 RMM: 2 -0.325458564768E+03 -0.12966E-01 -0.92334E-02 4893 0.733E-01 0.855E-01 RMM: 3 -0.325453490706E+03 0.50741E-02 -0.10796E-02 5701 0.206E-01 0.172E-01 RMM: 4 -0.325453238729E+03 0.25198E-03 -0.70415E-04 4697 0.598E-02 0.999E-02 RMM: 5 -0.325453188141E+03 0.50588E-04 -0.10253E-04 3696 0.263E-02 0.712E-02 RMM: 6 -0.325453157357E+03 0.30784E-04 -0.24760E-05 2576 0.153E-02 0.315E-02 RMM: 7 -0.325453157366E+03 -0.92787E-08 -0.13316E-05 2483 0.117E-02 4416 T= 6055. E= 0.67545040E+03 F= 0.63081583E+03 E0= 0.65926300E+03 EK= 0.49308E+02 SP= -.48E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325397978744E+03 0.55179E-01 -0.10971E-01 7600 0.233E+01 0.152E-01 RMM: 2 -0.325409916106E+03 -0.11937E-01 -0.95221E-02 4835 0.739E-01 0.721E-01 RMM: 3 -0.325406331504E+03 0.35846E-02 -0.11147E-02 5939 0.193E-01 0.145E-01 RMM: 4 -0.325406050167E+03 0.28134E-03 -0.53521E-04 4596 0.558E-02 0.894E-02 RMM: 5 -0.325406000101E+03 0.50066E-04 -0.79719E-05 3491 0.257E-02 0.613E-02 RMM: 6 -0.325405980200E+03 0.19900E-04 -0.23281E-05 2542 0.147E-02 4417 T= 6076. E= 0.67545113E+03 F= 0.63086301E+03 E0= 0.65933775E+03 EK= 0.49477E+02 SP= -.50E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325505016971E+03 -0.99017E-01 -0.10865E-01 7656 0.233E+01 0.184E-01 RMM: 2 -0.325517846867E+03 -0.12830E-01 -0.73273E-02 4871 0.664E-01 0.992E-01 RMM: 3 -0.325511121192E+03 0.67257E-02 -0.89382E-03 5476 0.204E-01 0.169E-01 RMM: 4 -0.325510920824E+03 0.20037E-03 -0.66210E-04 4908 0.518E-02 0.693E-02 RMM: 5 -0.325510887084E+03 0.33740E-04 -0.72160E-05 3480 0.242E-02 0.626E-02 RMM: 6 -0.325510871519E+03 0.15565E-04 -0.24516E-05 2546 0.147E-02 4418 T= 6117. E= 0.67545035E+03 F= 0.63075812E+03 E0= 0.65926091E+03 EK= 0.49812E+02 SP= -.52E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325744570381E+03 -0.23368E+00 -0.11554E-01 7648 0.234E+01 0.320E-01 RMM: 2 -0.325775084294E+03 -0.30514E-01 -0.91785E-02 4790 0.766E-01 0.186E+00 RMM: 3 -0.325751593196E+03 0.23491E-01 -0.14732E-02 5365 0.295E-01 0.320E-01 RMM: 4 -0.325750852077E+03 0.74112E-03 -0.16856E-03 4991 0.850E-02 0.879E-02 RMM: 5 -0.325750860730E+03 -0.86533E-05 -0.20504E-04 3919 0.322E-02 0.105E-01 RMM: 6 -0.325750790151E+03 0.70580E-04 -0.41348E-05 3051 0.194E-02 0.437E-02 RMM: 7 -0.325750787531E+03 0.26194E-05 -0.17641E-05 2517 0.129E-02 4419 T= 6176. E= 0.67544867E+03 F= 0.63051820E+03 E0= 0.65905102E+03 EK= 0.50297E+02 SP= -.55E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326087962555E+03 -0.33717E+00 -0.11418E-01 7752 0.236E+01 0.303E-01 RMM: 2 -0.326116257247E+03 -0.28295E-01 -0.87105E-02 4800 0.727E-01 0.177E+00 RMM: 3 -0.326094784317E+03 0.21473E-01 -0.14077E-02 5383 0.285E-01 0.309E-01 RMM: 4 -0.326094152376E+03 0.63194E-03 -0.15931E-03 4898 0.831E-02 0.105E-01 RMM: 5 -0.326094179760E+03 -0.27384E-04 -0.21877E-04 3887 0.361E-02 0.130E-01 RMM: 6 -0.326094062754E+03 0.11701E-03 -0.64015E-05 3394 0.236E-02 0.343E-02 RMM: 7 -0.326094061435E+03 0.13192E-05 -0.18015E-05 2522 0.131E-02 4420 T= 6250. E= 0.67544639E+03 F= 0.63017493E+03 E0= 0.65873971E+03 EK= 0.50900E+02 SP= -.58E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326495972993E+03 -0.40191E+00 -0.11803E-01 7632 0.237E+01 0.211E-01 RMM: 2 -0.326512338940E+03 -0.16366E-01 -0.91308E-02 4826 0.731E-01 0.113E+00 RMM: 3 -0.326503507100E+03 0.88318E-02 -0.11073E-02 5460 0.231E-01 0.212E-01 RMM: 4 -0.326503197651E+03 0.30945E-03 -0.91736E-04 4794 0.630E-02 0.830E-02 RMM: 5 -0.326503170195E+03 0.27456E-04 -0.12388E-04 3844 0.300E-02 0.790E-02 RMM: 6 -0.326503130525E+03 0.39670E-04 -0.29924E-05 2766 0.164E-02 0.399E-02 RMM: 7 -0.326503130368E+03 0.15711E-06 -0.15770E-05 2496 0.128E-02 4421 T= 6334. E= 0.67544382E+03 F= 0.62976586E+03 E0= 0.65836418E+03 EK= 0.51580E+02 SP= -.61E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326931424876E+03 -0.42829E+00 -0.12405E-01 7888 0.239E+01 0.193E-01 RMM: 2 -0.326945243926E+03 -0.13819E-01 -0.90820E-02 4834 0.723E-01 0.944E-01 RMM: 3 -0.326939014832E+03 0.62291E-02 -0.10643E-02 5638 0.212E-01 0.165E-01 RMM: 4 -0.326938779358E+03 0.23547E-03 -0.72375E-04 4740 0.589E-02 0.958E-02 RMM: 5 -0.326938731038E+03 0.48320E-04 -0.99367E-05 3720 0.276E-02 0.642E-02 RMM: 6 -0.326938708684E+03 0.22353E-04 -0.24879E-05 2571 0.150E-02 0.396E-02 RMM: 7 -0.326938711679E+03 -0.29944E-05 -0.17599E-05 2517 0.133E-02 4422 T= 6422. E= 0.67544121E+03 F= 0.62933028E+03 E0= 0.65796274E+03 EK= 0.52297E+02 SP= -.64E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327351926904E+03 -0.41322E+00 -0.13316E-01 7776 0.241E+01 0.176E-01 RMM: 2 -0.327365356857E+03 -0.13430E-01 -0.10833E-01 4823 0.776E-01 0.761E-01 RMM: 3 -0.327361273523E+03 0.40833E-02 -0.12779E-02 5928 0.212E-01 0.136E-01 RMM: 4 -0.327361042726E+03 0.23080E-03 -0.65215E-04 4731 0.589E-02 0.124E-01 RMM: 5 -0.327360945668E+03 0.97059E-04 -0.10359E-04 3658 0.288E-02 0.642E-02 RMM: 6 -0.327360923175E+03 0.22493E-04 -0.27005E-05 2614 0.157E-02 0.383E-02 RMM: 7 -0.327360922430E+03 0.74513E-06 -0.18399E-05 2511 0.136E-02 4423 T= 6509. E= 0.67543860E+03 F= 0.62890807E+03 E0= 0.65757440E+03 EK= 0.53008E+02 SP= -.66E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327720753550E+03 -0.35983E+00 -0.13649E-01 7944 0.243E+01 0.188E-01 RMM: 2 -0.327736318352E+03 -0.15565E-01 -0.11411E-01 4856 0.797E-01 0.910E-01 RMM: 3 -0.327730695326E+03 0.56230E-02 -0.13630E-02 5885 0.221E-01 0.178E-01 RMM: 4 -0.327730325201E+03 0.37012E-03 -0.75062E-04 4763 0.618E-02 0.937E-02 RMM: 5 -0.327730278059E+03 0.47142E-04 -0.11046E-04 3773 0.276E-02 0.717E-02 RMM: 6 -0.327730250776E+03 0.27283E-04 -0.27937E-05 2652 0.160E-02 0.421E-02 RMM: 7 -0.327730253202E+03 -0.24259E-05 -0.22221E-05 2549 0.143E-02 4424 T= 6590. E= 0.67543620E+03 F= 0.62853874E+03 E0= 0.65723820E+03 EK= 0.53669E+02 SP= -.69E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327997149075E+03 -0.26690E+00 -0.15113E-01 8024 0.244E+01 0.177E-01 RMM: 2 -0.328013598532E+03 -0.16449E-01 -0.13658E-01 4875 0.863E-01 0.788E-01 RMM: 3 -0.328009057878E+03 0.45407E-02 -0.15279E-02 6096 0.221E-01 0.148E-01 RMM: 4 -0.328008716114E+03 0.34176E-03 -0.69589E-04 4809 0.622E-02 0.113E-01 RMM: 5 -0.328008638208E+03 0.77906E-04 -0.10657E-04 3724 0.279E-02 0.646E-02 RMM: 6 -0.328008615720E+03 0.22488E-04 -0.26239E-05 2605 0.155E-02 0.360E-02 RMM: 7 -0.328008616806E+03 -0.10858E-05 -0.17325E-05 2514 0.128E-02 4425 T= 6660. E= 0.67543387E+03 F= 0.62826037E+03 E0= 0.65699189E+03 EK= 0.54239E+02 SP= -.72E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328148711744E+03 -0.14010E+00 -0.15045E-01 8048 0.246E+01 0.181E-01 RMM: 2 -0.328164984415E+03 -0.16273E-01 -0.13247E-01 4874 0.842E-01 0.810E-01 RMM: 3 -0.328160202270E+03 0.47821E-02 -0.14786E-02 6031 0.222E-01 0.166E-01 RMM: 4 -0.328159811302E+03 0.39097E-03 -0.71307E-04 4758 0.621E-02 0.103E-01 RMM: 5 -0.328159750088E+03 0.61214E-04 -0.10769E-04 3726 0.276E-02 0.734E-02 RMM: 6 -0.328159720701E+03 0.29387E-04 -0.28135E-05 2669 0.162E-02 0.388E-02 RMM: 7 -0.328159720035E+03 0.66546E-06 -0.21055E-05 2539 0.138E-02 4426 T= 6715. E= 0.67543217E+03 F= 0.62810927E+03 E0= 0.65687116E+03 EK= 0.54679E+02 SP= -.75E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328146344178E+03 0.13377E-01 -0.14170E-01 8144 0.247E+01 0.177E-01 RMM: 2 -0.328160903590E+03 -0.14559E-01 -0.11986E-01 4958 0.795E-01 0.778E-01 RMM: 3 -0.328156520263E+03 0.43833E-02 -0.12756E-02 6044 0.209E-01 0.156E-01 RMM: 4 -0.328156192440E+03 0.32782E-03 -0.62727E-04 4756 0.578E-02 0.100E-01 RMM: 5 -0.328156133617E+03 0.58823E-04 -0.95305E-05 3647 0.262E-02 0.682E-02 RMM: 6 -0.328156109401E+03 0.24216E-04 -0.25037E-05 2576 0.153E-02 0.384E-02 RMM: 7 -0.328156111025E+03 -0.16244E-05 -0.18275E-05 2512 0.130E-02 4427 T= 6749. E= 0.67543138E+03 F= 0.62811288E+03 E0= 0.65690259E+03 EK= 0.54959E+02 SP= -.78E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327975592489E+03 0.18052E+00 -0.13929E-01 8184 0.247E+01 0.177E-01 RMM: 2 -0.327990082961E+03 -0.14490E-01 -0.12117E-01 5091 0.779E-01 0.755E-01 RMM: 3 -0.327985708432E+03 0.43745E-02 -0.11870E-02 6077 0.201E-01 0.152E-01 RMM: 4 -0.327985427165E+03 0.28127E-03 -0.62389E-04 4702 0.570E-02 0.109E-01 RMM: 5 -0.327985353016E+03 0.74149E-04 -0.94903E-05 3645 0.255E-02 0.721E-02 RMM: 6 -0.327985325588E+03 0.27429E-04 -0.26622E-05 2630 0.160E-02 0.371E-02 RMM: 7 -0.327985326050E+03 -0.46230E-06 -0.19043E-05 2519 0.129E-02 4428 T= 6762. E= 0.67543169E+03 F= 0.62828366E+03 E0= 0.65709746E+03 EK= 0.55064E+02 SP= -.81E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327645986457E+03 0.33934E+00 -0.13664E-01 8200 0.247E+01 0.185E-01 RMM: 2 -0.327661416288E+03 -0.15430E-01 -0.12124E-01 5083 0.781E-01 0.849E-01 RMM: 3 -0.327655999095E+03 0.54172E-02 -0.11846E-02 6029 0.205E-01 0.172E-01 RMM: 4 -0.327655659183E+03 0.33991E-03 -0.64237E-04 4743 0.575E-02 0.963E-02 RMM: 5 -0.327655607572E+03 0.51610E-04 -0.96998E-05 3657 0.255E-02 0.734E-02 RMM: 6 -0.327655578534E+03 0.29038E-04 -0.26160E-05 2653 0.158E-02 0.404E-02 RMM: 7 -0.327655581054E+03 -0.25201E-05 -0.19663E-05 2515 0.132E-02 4429 T= 6754. E= 0.67543401E+03 F= 0.62861341E+03 E0= 0.65744565E+03 EK= 0.55001E+02 SP= -.83E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327192432424E+03 0.46315E+00 -0.13357E-01 8224 0.246E+01 0.188E-01 RMM: 2 -0.327207606546E+03 -0.15174E-01 -0.12360E-01 5052 0.791E-01 0.804E-01 RMM: 3 -0.327202609778E+03 0.49968E-02 -0.12203E-02 6026 0.213E-01 0.155E-01 RMM: 4 -0.327202342921E+03 0.26686E-03 -0.66374E-04 4815 0.569E-02 0.108E-01 RMM: 5 -0.327202272871E+03 0.70050E-04 -0.95849E-05 3673 0.253E-02 0.742E-02 RMM: 6 -0.327202243650E+03 0.29221E-04 -0.27218E-05 2640 0.161E-02 0.378E-02 RMM: 7 -0.327202245967E+03 -0.23168E-05 -0.18705E-05 2514 0.130E-02 4430 T= 6730. E= 0.67543825E+03 F= 0.62906674E+03 E0= 0.65791126E+03 EK= 0.54806E+02 SP= -.86E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326678898606E+03 0.52335E+00 -0.13075E-01 8392 0.245E+01 0.197E-01 RMM: 2 -0.326694211754E+03 -0.15313E-01 -0.11338E-01 5281 0.745E-01 0.904E-01 RMM: 3 -0.326687938379E+03 0.62734E-02 -0.97754E-03 6002 0.197E-01 0.185E-01 RMM: 4 -0.326687646263E+03 0.29212E-03 -0.64793E-04 4701 0.563E-02 0.999E-02 RMM: 5 -0.326687596969E+03 0.49294E-04 -0.10083E-04 3660 0.256E-02 0.797E-02 RMM: 6 -0.326687560082E+03 0.36887E-04 -0.27441E-05 2759 0.163E-02 0.405E-02 RMM: 7 -0.326687562830E+03 -0.27488E-05 -0.19175E-05 2513 0.130E-02 4431 T= 6698. E= 0.67544386E+03 F= 0.62958143E+03 E0= 0.65843139E+03 EK= 0.54541E+02 SP= -.88E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326183866219E+03 0.50369E+00 -0.12936E-01 8272 0.244E+01 0.214E-01 RMM: 2 -0.326201529582E+03 -0.17663E-01 -0.13448E-01 5044 0.826E-01 0.937E-01 RMM: 3 -0.326194868872E+03 0.66607E-02 -0.13559E-02 5909 0.230E-01 0.171E-01 RMM: 4 -0.326194562568E+03 0.30630E-03 -0.82401E-04 4877 0.613E-02 0.108E-01 RMM: 5 -0.326194508810E+03 0.53758E-04 -0.11388E-04 3742 0.276E-02 0.821E-02 RMM: 6 -0.326194470053E+03 0.38758E-04 -0.30457E-05 2813 0.168E-02 0.377E-02 RMM: 7 -0.326194472841E+03 -0.27888E-05 -0.16711E-05 2504 0.128E-02 4432 T= 6667. E= 0.67544996E+03 F= 0.63007452E+03 E0= 0.65892437E+03 EK= 0.54289E+02 SP= -.90E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325803726696E+03 0.39074E+00 -0.12514E-01 8344 0.242E+01 0.214E-01 RMM: 2 -0.325821328956E+03 -0.17602E-01 -0.11829E-01 5185 0.776E-01 0.104E+00 RMM: 3 -0.325813312090E+03 0.80169E-02 -0.11136E-02 5840 0.217E-01 0.210E-01 RMM: 4 -0.325812948858E+03 0.36323E-03 -0.79188E-04 4700 0.616E-02 0.986E-02 RMM: 5 -0.325812913332E+03 0.35526E-04 -0.12137E-04 3774 0.286E-02 0.855E-02 RMM: 6 -0.325812868127E+03 0.45206E-04 -0.30957E-05 2895 0.170E-02 0.390E-02 RMM: 7 -0.325812870449E+03 -0.23223E-05 -0.16457E-05 2504 0.125E-02 4433 T= 6648. E= 0.67545529E+03 F= 0.63045612E+03 E0= 0.65930166E+03 EK= 0.54140E+02 SP= -.92E+01 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325609463521E+03 0.20340E+00 -0.12549E-01 8272 0.241E+01 0.224E-01 RMM: 2 -0.325627127758E+03 -0.17664E-01 -0.12293E-01 5015 0.807E-01 0.103E+00 RMM: 3 -0.325619521004E+03 0.76068E-02 -0.12915E-02 5751 0.236E-01 0.196E-01 RMM: 4 -0.325619179231E+03 0.34177E-03 -0.88810E-04 4867 0.627E-02 0.951E-02 RMM: 5 -0.325619155337E+03 0.23894E-04 -0.12431E-04 3774 0.298E-02 0.888E-02 RMM: 6 -0.325619106701E+03 0.48636E-04 -0.34595E-05 2962 0.177E-02 0.358E-02 RMM: 7 -0.325619108598E+03 -0.18976E-05 -0.14662E-05 2498 0.122E-02 4434 T= 6652. E= 0.67545817E+03 F= 0.63064988E+03 E0= 0.65948934E+03 EK= 0.54171E+02 SP= -.95E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325644036636E+03 -0.24930E-01 -0.11980E-01 8000 0.241E+01 0.203E-01 RMM: 2 -0.325661966168E+03 -0.17930E-01 -0.12166E-01 5069 0.794E-01 0.104E+00 RMM: 3 -0.325654170398E+03 0.77958E-02 -0.12228E-02 5816 0.221E-01 0.199E-01 RMM: 4 -0.325653799355E+03 0.37104E-03 -0.77802E-04 4741 0.618E-02 0.957E-02 RMM: 5 -0.325653763064E+03 0.36291E-04 -0.11876E-04 3768 0.290E-02 0.803E-02 RMM: 6 -0.325653723365E+03 0.39699E-04 -0.30206E-05 2820 0.168E-02 0.374E-02 RMM: 7 -0.325653725503E+03 -0.21382E-05 -0.15550E-05 2504 0.122E-02 4435 T= 6683. E= 0.67545818E+03 F= 0.63061526E+03 E0= 0.65944861E+03 EK= 0.54422E+02 SP= -.97E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325901796501E+03 -0.24807E+00 -0.12063E-01 8000 0.242E+01 0.193E-01 RMM: 2 -0.325917455562E+03 -0.15659E-01 -0.12160E-01 4968 0.810E-01 0.863E-01 RMM: 3 -0.325911984558E+03 0.54710E-02 -0.12758E-02 5852 0.226E-01 0.170E-01 RMM: 4 -0.325911683511E+03 0.30105E-03 -0.74264E-04 4920 0.583E-02 0.947E-02 RMM: 5 -0.325911649360E+03 0.34152E-04 -0.10608E-04 3676 0.283E-02 0.797E-02 RMM: 6 -0.325911611387E+03 0.37973E-04 -0.29697E-05 2731 0.167E-02 0.365E-02 RMM: 7 -0.325911612724E+03 -0.13368E-05 -0.15945E-05 2503 0.125E-02 4436 T= 6740. E= 0.67545471E+03 F= 0.63035738E+03 E0= 0.65918620E+03 EK= 0.54887E+02 SP= -.99E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326331063835E+03 -0.41945E+00 -0.11823E-01 7960 0.244E+01 0.179E-01 RMM: 2 -0.326346648668E+03 -0.15585E-01 -0.11769E-01 5040 0.790E-01 0.890E-01 RMM: 3 -0.326340958885E+03 0.56898E-02 -0.11864E-02 5949 0.211E-01 0.168E-01 RMM: 4 -0.326340640957E+03 0.31793E-03 -0.63668E-04 4726 0.578E-02 0.988E-02 RMM: 5 -0.326340586881E+03 0.54076E-04 -0.97378E-05 3652 0.273E-02 0.715E-02 RMM: 6 -0.326340560854E+03 0.26027E-04 -0.25653E-05 2576 0.155E-02 0.436E-02 RMM: 7 -0.326340560876E+03 -0.22239E-07 -0.17492E-05 2512 0.126E-02 4437 T= 6817. E= 0.67544873E+03 F= 0.62992843E+03 E0= 0.65875459E+03 EK= 0.55513E+02 SP= -.10E+02 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326844491656E+03 -0.50393E+00 -0.11836E-01 7976 0.246E+01 0.169E-01 RMM: 2 -0.326857050046E+03 -0.12558E-01 -0.10683E-01 5098 0.754E-01 0.694E-01 RMM: 3 -0.326853408033E+03 0.36420E-02 -0.10565E-02 5968 0.199E-01 0.146E-01 RMM: 4 -0.326853176263E+03 0.23177E-03 -0.54966E-04 4729 0.521E-02 0.111E-01 RMM: 5 -0.326853102790E+03 0.73473E-04 -0.86811E-05 3585 0.262E-02 0.676E-02 RMM: 6 -0.326853080886E+03 0.21904E-04 -0.23819E-05 2563 0.150E-02 0.439E-02 RMM: 7 -0.326853076808E+03 0.40779E-05 -0.19412E-05 2518 0.133E-02 4438 T= 6903. E= 0.67544136E+03 F= 0.62941591E+03 E0= 0.65824113E+03 EK= 0.56210E+02 SP= -.10E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327334925093E+03 -0.48184E+00 -0.11871E-01 7784 0.249E+01 0.189E-01 RMM: 2 -0.327349061629E+03 -0.14137E-01 -0.10529E-01 5161 0.753E-01 0.891E-01 RMM: 3 -0.327343572610E+03 0.54890E-02 -0.10193E-02 5887 0.200E-01 0.178E-01 RMM: 4 -0.327343277383E+03 0.29523E-03 -0.64388E-04 4681 0.575E-02 0.107E-01 RMM: 5 -0.327343205011E+03 0.72372E-04 -0.99831E-05 3669 0.266E-02 0.743E-02 RMM: 6 -0.327343179224E+03 0.25787E-04 -0.24705E-05 2577 0.153E-02 0.483E-02 RMM: 7 -0.327343175770E+03 0.34534E-05 -0.19804E-05 2529 0.131E-02 4439 T= 6984. E= 0.67543411E+03 F= 0.62892581E+03 E0= 0.65775023E+03 EK= 0.56871E+02 SP= -.10E+02 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327696073469E+03 -0.35289E+00 -0.11840E-01 7912 0.251E+01 0.183E-01 RMM: 2 -0.327709347396E+03 -0.13274E-01 -0.10683E-01 5156 0.759E-01 0.782E-01 RMM: 3 -0.327704940743E+03 0.44067E-02 -0.10404E-02 5903 0.200E-01 0.164E-01 RMM: 4 -0.327704693277E+03 0.24747E-03 -0.58968E-04 4749 0.539E-02 0.114E-01 RMM: 5 -0.327704606582E+03 0.86695E-04 -0.92315E-05 3625 0.257E-02 0.692E-02 RMM: 6 -0.327704585107E+03 0.21475E-04 -0.24695E-05 2578 0.152E-02 0.470E-02 RMM: 7 -0.327704579876E+03 0.52311E-05 -0.21871E-05 2540 0.138E-02 4440 T= 7047. E= 0.67542780E+03 F= 0.62856441E+03 E0= 0.65738662E+03 EK= 0.57387E+02 SP= -.11E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327838542207E+03 -0.13396E+00 -0.11843E-01 7800 0.253E+01 0.204E-01 RMM: 2 -0.327852720110E+03 -0.14178E-01 -0.10472E-01 5194 0.763E-01 0.918E-01 RMM: 3 -0.327847101335E+03 0.56188E-02 -0.10328E-02 5858 0.203E-01 0.175E-01 RMM: 4 -0.327846838995E+03 0.26234E-03 -0.67988E-04 4676 0.587E-02 0.121E-01 RMM: 5 -0.327846744562E+03 0.94433E-04 -0.10951E-04 3718 0.272E-02 0.757E-02 RMM: 6 -0.327846715920E+03 0.28641E-04 -0.27310E-05 2676 0.161E-02 0.459E-02 RMM: 7 -0.327846712368E+03 0.35524E-05 -0.22600E-05 2536 0.140E-02 4441 T= 7081. E= 0.67542360E+03 F= 0.62842228E+03 E0= 0.65723892E+03 EK= 0.57663E+02 SP= -.11E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327699212859E+03 0.14750E+00 -0.12584E-01 7784 0.254E+01 0.199E-01 RMM: 2 -0.327714446143E+03 -0.15233E-01 -0.11720E-01 5027 0.816E-01 0.883E-01 RMM: 3 -0.327709164527E+03 0.52816E-02 -0.12625E-02 5871 0.219E-01 0.179E-01 RMM: 4 -0.327708853927E+03 0.31060E-03 -0.69816E-04 4752 0.601E-02 0.117E-01 RMM: 5 -0.327708759223E+03 0.94704E-04 -0.10836E-04 3745 0.272E-02 0.723E-02 RMM: 6 -0.327708733773E+03 0.25450E-04 -0.28011E-05 2646 0.160E-02 0.444E-02 RMM: 7 -0.327708730860E+03 0.29125E-05 -0.22987E-05 2537 0.145E-02 4442 T= 7078. E= 0.67542218E+03 F= 0.62856026E+03 E0= 0.65736623E+03 EK= 0.57639E+02 SP= -.11E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327260318886E+03 0.44841E+00 -0.12749E-01 7720 0.254E+01 0.201E-01 RMM: 2 -0.327274781874E+03 -0.14463E-01 -0.11149E-01 5099 0.802E-01 0.886E-01 RMM: 3 -0.327269666717E+03 0.51152E-02 -0.11701E-02 5880 0.212E-01 0.154E-01 RMM: 4 -0.327269442172E+03 0.22455E-03 -0.66917E-04 4741 0.592E-02 0.131E-01 RMM: 5 -0.327269333330E+03 0.10884E-03 -0.11063E-04 3713 0.275E-02 0.744E-02 RMM: 6 -0.327269303951E+03 0.29379E-04 -0.28570E-05 2702 0.164E-02 0.416E-02 RMM: 7 -0.327269303216E+03 0.73461E-06 -0.22574E-05 2519 0.143E-02 4443 T= 7035. E= 0.67542376E+03 F= 0.62899969E+03 E0= 0.65778955E+03 EK= 0.57291E+02 SP= -.11E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326542499713E+03 0.72680E+00 -0.12755E-01 7664 0.253E+01 0.207E-01 RMM: 2 -0.326557137220E+03 -0.14638E-01 -0.10884E-01 5135 0.798E-01 0.917E-01 RMM: 3 -0.326551536354E+03 0.56009E-02 -0.11178E-02 5848 0.210E-01 0.168E-01 RMM: 4 -0.326551307337E+03 0.22902E-03 -0.67695E-04 4698 0.597E-02 0.130E-01 RMM: 5 -0.326551199596E+03 0.10774E-03 -0.10978E-04 3727 0.273E-02 0.750E-02 RMM: 6 -0.326551168815E+03 0.30782E-04 -0.28835E-05 2726 0.165E-02 0.392E-02 RMM: 7 -0.326551168927E+03 -0.11204E-06 -0.20399E-05 2513 0.138E-02 4444 T= 6956. E= 0.67542854E+03 F= 0.62971782E+03 E0= 0.65848654E+03 EK= 0.56646E+02 SP= -.11E+02 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325612017260E+03 0.93915E+00 -0.13067E-01 7640 0.250E+01 0.202E-01 RMM: 2 -0.325626041493E+03 -0.14024E-01 -0.10749E-01 5097 0.797E-01 0.875E-01 RMM: 3 -0.325621011740E+03 0.50298E-02 -0.11278E-02 5862 0.211E-01 0.151E-01 RMM: 4 -0.325620823573E+03 0.18817E-03 -0.65282E-04 4701 0.596E-02 0.137E-01 RMM: 5 -0.325620706878E+03 0.11669E-03 -0.11220E-04 3724 0.284E-02 0.750E-02 RMM: 6 -0.325620674839E+03 0.32039E-04 -0.29041E-05 2753 0.167E-02 0.386E-02 RMM: 7 -0.325620674801E+03 0.38070E-07 -0.19334E-05 2509 0.134E-02 4445 T= 6849. E= 0.67543644E+03 F= 0.63064831E+03 E0= 0.65939326E+03 EK= 0.55771E+02 SP= -.11E+02 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324574441885E+03 0.10462E+01 -0.12976E-01 7656 0.247E+01 0.220E-01 RMM: 2 -0.324590697091E+03 -0.16255E-01 -0.11721E-01 4998 0.841E-01 0.983E-01 RMM: 3 -0.324584268858E+03 0.64282E-02 -0.13070E-02 5782 0.233E-01 0.176E-01 RMM: 4 -0.324583995450E+03 0.27341E-03 -0.79833E-04 4713 0.645E-02 0.127E-01 RMM: 5 -0.324583913383E+03 0.82067E-04 -0.12762E-04 3821 0.305E-02 0.863E-02 RMM: 6 -0.324583868490E+03 0.44893E-04 -0.35023E-05 2902 0.183E-02 0.393E-02 RMM: 7 -0.324583867660E+03 0.83045E-06 -0.16485E-05 2502 0.128E-02 4446 T= 6727. E= 0.67544613E+03 F= 0.63168512E+03 E0= 0.66040604E+03 EK= 0.54778E+02 SP= -.11E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323564098633E+03 0.10198E+01 -0.12910E-01 7688 0.244E+01 0.225E-01 RMM: 2 -0.323580890736E+03 -0.16792E-01 -0.11581E-01 4989 0.832E-01 0.102E+00 RMM: 3 -0.323573896049E+03 0.69947E-02 -0.13261E-02 5729 0.237E-01 0.199E-01 RMM: 4 -0.323573566148E+03 0.32990E-03 -0.85654E-04 4727 0.663E-02 0.116E-01 RMM: 5 -0.323573499293E+03 0.66855E-04 -0.13454E-04 3849 0.307E-02 0.893E-02 RMM: 6 -0.323573450875E+03 0.48419E-04 -0.35637E-05 2932 0.184E-02 0.404E-02 RMM: 7 -0.323573450522E+03 0.35221E-06 -0.17425E-05 2508 0.130E-02 4447 T= 6607. E= 0.67545694E+03 F= 0.63269554E+03 E0= 0.66139537E+03 EK= 0.53802E+02 SP= -.11E+02 SK= 0.91E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322725725244E+03 0.84773E+00 -0.12675E-01 7776 0.240E+01 0.245E-01 RMM: 2 -0.322744880991E+03 -0.19156E-01 -0.12015E-01 4942 0.848E-01 0.116E+00 RMM: 3 -0.322735724598E+03 0.91564E-02 -0.14419E-02 5614 0.258E-01 0.215E-01 RMM: 4 -0.322735359793E+03 0.36481E-03 -0.10299E-03 4726 0.703E-02 0.116E-01 RMM: 5 -0.322735311253E+03 0.48540E-04 -0.15492E-04 3913 0.331E-02 0.983E-02 RMM: 6 -0.322735249130E+03 0.62123E-04 -0.43357E-05 3058 0.199E-02 0.417E-02 RMM: 7 -0.322735248646E+03 0.48478E-06 -0.17159E-05 2508 0.132E-02 4448 T= 6508. E= 0.67546750E+03 F= 0.63353374E+03 E0= 0.66221673E+03 EK= 0.52994E+02 SP= -.11E+02 SK= 0.73E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322200960728E+03 0.53429E+00 -0.12005E-01 7744 0.237E+01 0.252E-01 RMM: 2 -0.322220253945E+03 -0.19293E-01 -0.11063E-01 4916 0.817E-01 0.122E+00 RMM: 3 -0.322210181181E+03 0.10073E-01 -0.13645E-02 5539 0.260E-01 0.261E-01 RMM: 4 -0.322209682050E+03 0.49913E-03 -0.10894E-03 4736 0.729E-02 0.102E-01 RMM: 5 -0.322209649795E+03 0.32256E-04 -0.16360E-04 3910 0.341E-02 0.999E-02 RMM: 6 -0.322209586236E+03 0.63559E-04 -0.42057E-05 3039 0.197E-02 0.445E-02 RMM: 7 -0.322209584273E+03 0.19630E-05 -0.17558E-05 2517 0.134E-02 4449 T= 6446. E= 0.67547532E+03 F= 0.63405941E+03 E0= 0.66273054E+03 EK= 0.52495E+02 SP= -.11E+02 SK= 0.80E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322094814958E+03 0.11477E+00 -0.11901E-01 8112 0.235E+01 0.248E-01 RMM: 2 -0.322114796871E+03 -0.19982E-01 -0.11200E-01 4902 0.815E-01 0.125E+00 RMM: 3 -0.322104035506E+03 0.10761E-01 -0.14014E-02 5471 0.267E-01 0.223E-01 RMM: 4 -0.322103668963E+03 0.36654E-03 -0.10777E-03 4756 0.697E-02 0.103E-01 RMM: 5 -0.322103631283E+03 0.37680E-04 -0.14606E-04 3907 0.328E-02 0.928E-02 RMM: 6 -0.322103575901E+03 0.55383E-04 -0.38178E-05 2979 0.186E-02 0.441E-02 RMM: 7 -0.322103577083E+03 -0.11817E-05 -0.18247E-05 2523 0.137E-02 4450 T= 6436. E= 0.67547970E+03 F= 0.63416541E+03 E0= 0.66282826E+03 EK= 0.52414E+02 SP= -.11E+02 SK= 0.99E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322466162009E+03 -0.36259E+00 -0.11617E-01 8168 0.235E+01 0.249E-01 RMM: 2 -0.322484483451E+03 -0.18321E-01 -0.10654E-01 5039 0.784E-01 0.118E+00 RMM: 3 -0.322474871506E+03 0.96119E-02 -0.12675E-02 5495 0.255E-01 0.281E-01 RMM: 4 -0.322474306880E+03 0.56463E-03 -0.10618E-03 4750 0.711E-02 0.932E-02 RMM: 5 -0.322474287411E+03 0.19469E-04 -0.16142E-04 3890 0.342E-02 4451 T= 6485. E= 0.67548003E+03 F= 0.63379470E+03 E0= 0.66245048E+03 EK= 0.52808E+02 SP= -.11E+02 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323305166584E+03 -0.83086E+00 -0.12549E-01 8328 0.237E+01 0.169E-01 RMM: 2 -0.323320949538E+03 -0.15783E-01 -0.12549E-01 5148 0.814E-01 0.793E-01 RMM: 3 -0.323315951296E+03 0.49982E-02 -0.12342E-02 5631 0.226E-01 0.181E-01 RMM: 4 -0.323315655676E+03 0.29562E-03 -0.67417E-04 4982 0.548E-02 0.998E-02 RMM: 5 -0.323315594165E+03 0.61511E-04 -0.76853E-05 3552 0.252E-02 0.853E-02 RMM: 6 -0.323315569259E+03 0.24905E-04 -0.31201E-05 2642 0.170E-02 0.783E-02 RMM: 7 -0.323315584195E+03 -0.14935E-04 -0.15548E-04 3897 0.262E-02 4452 T= 6590. E= 0.67547537E+03 F= 0.63295341E+03 E0= 0.66160178E+03 EK= 0.53669E+02 SP= -.11E+02 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324550392596E+03 -0.12348E+01 -0.12443E-01 8024 0.240E+01 0.261E-01 RMM: 2 -0.324567495256E+03 -0.17103E-01 -0.11891E-01 4977 0.823E-01 0.105E+00 RMM: 3 -0.324559726980E+03 0.77683E-02 -0.12831E-02 5668 0.244E-01 0.245E-01 RMM: 4 -0.324559396030E+03 0.33095E-03 -0.11665E-03 4809 0.798E-02 0.177E-01 RMM: 5 -0.324559252937E+03 0.14309E-03 -0.22965E-04 3895 0.384E-02 0.120E-01 RMM: 6 -0.324559163905E+03 0.89032E-04 -0.70569E-05 3470 0.254E-02 0.400E-02 RMM: 7 -0.324559168144E+03 -0.42396E-05 -0.22568E-05 2568 0.144E-02 4453 T= 6745. E= 0.67546668E+03 F= 0.63170982E+03 E0= 0.66034843E+03 EK= 0.54925E+02 SP= -.11E+02 SK= 0.51E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326076546598E+03 -0.15174E+01 -0.13034E-01 8288 0.245E+01 0.214E-01 RMM: 2 -0.326093238432E+03 -0.16692E-01 -0.12940E-01 5250 0.839E-01 0.913E-01 RMM: 3 -0.326087139676E+03 0.60988E-02 -0.12276E-02 5884 0.224E-01 0.182E-01 RMM: 4 -0.326086826818E+03 0.31286E-03 -0.72314E-04 4778 0.594E-02 0.118E-01 RMM: 5 -0.326086724745E+03 0.10207E-03 -0.11435E-04 3792 0.280E-02 0.858E-02 RMM: 6 -0.326086690736E+03 0.34009E-04 -0.32726E-05 2793 0.171E-02 0.626E-02 RMM: 7 -0.326086679216E+03 0.11520E-04 -0.60621E-05 3364 0.202E-02 4454 T= 6932. E= 0.67545572E+03 F= 0.63018231E+03 E0= 0.65880625E+03 EK= 0.56453E+02 SP= -.11E+02 SK= 0.17E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.327736308815E+03 -0.16496E+01 -0.13833E-01 7992 0.250E+01 0.254E-01 RMM: 2 -0.327757647492E+03 -0.21339E-01 -0.13145E-01 5241 0.843E-01 0.123E+00 RMM: 3 -0.327746794631E+03 0.10853E-01 -0.12718E-02 5732 0.238E-01 0.214E-01 RMM: 4 -0.327746422576E+03 0.37206E-03 -0.99363E-04 4705 0.697E-02 0.125E-01 RMM: 5 -0.327746344419E+03 0.78157E-04 -0.15734E-04 3886 0.327E-02 0.954E-02 RMM: 6 -0.327746295566E+03 0.48853E-04 -0.43178E-05 3073 0.199E-02 0.511E-02 RMM: 7 -0.327746298837E+03 -0.32712E-05 -0.22613E-05 2556 0.145E-02 4455 T= 7134. E= 0.67544384E+03 F= 0.62852269E+03 E0= 0.65712743E+03 EK= 0.58095E+02 SP= -.11E+02 SK= 0.62E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329364250988E+03 -0.16180E+01 -0.14450E-01 8200 0.254E+01 0.263E-01 RMM: 2 -0.329383866708E+03 -0.19616E-01 -0.14065E-01 5338 0.867E-01 0.109E+00 RMM: 3 -0.329375352522E+03 0.85142E-02 -0.13383E-02 5791 0.238E-01 0.188E-01 RMM: 4 -0.329375091265E+03 0.26126E-03 -0.10152E-03 4723 0.697E-02 0.166E-01 RMM: 5 -0.329374926440E+03 0.16483E-03 -0.17685E-04 3885 0.350E-02 0.963E-02 RMM: 6 -0.329374873913E+03 0.52527E-04 -0.50461E-05 3216 0.210E-02 0.484E-02 RMM: 7 -0.329374873065E+03 0.84827E-06 -0.26846E-05 2587 0.152E-02 4456 T= 7328. E= 0.67543216E+03 F= 0.62689412E+03 E0= 0.65547448E+03 EK= 0.59679E+02 SP= -.11E+02 SK= 0.42E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330804047216E+03 -0.14292E+01 -0.15315E-01 8008 0.258E+01 0.245E-01 RMM: 2 -0.330825540297E+03 -0.21493E-01 -0.15322E-01 5221 0.907E-01 0.111E+00 RMM: 3 -0.330816782555E+03 0.87577E-02 -0.14726E-02 5879 0.238E-01 0.185E-01 RMM: 4 -0.330816473797E+03 0.30876E-03 -0.96622E-04 4714 0.720E-02 0.163E-01 RMM: 5 -0.330816307837E+03 0.16596E-03 -0.17824E-04 3882 0.346E-02 0.926E-02 RMM: 6 -0.330816267304E+03 0.40533E-04 -0.49447E-05 3184 0.208E-02 0.558E-02 RMM: 7 -0.330816273599E+03 -0.62954E-05 -0.34308E-05 2689 0.171E-02 4457 T= 7496. E= 0.67542249E+03 F= 0.62545272E+03 E0= 0.65400403E+03 EK= 0.61040E+02 SP= -.11E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331932486908E+03 -0.11162E+01 -0.15785E-01 8008 0.262E+01 0.239E-01 RMM: 2 -0.331951768060E+03 -0.19281E-01 -0.15128E-01 5318 0.890E-01 0.964E-01 RMM: 3 -0.331944917462E+03 0.68506E-02 -0.13619E-02 5964 0.227E-01 0.190E-01 RMM: 4 -0.331944628837E+03 0.28862E-03 -0.91368E-04 4723 0.705E-02 0.169E-01 RMM: 5 -0.331944450708E+03 0.17813E-03 -0.17792E-04 3884 0.348E-02 0.903E-02 RMM: 6 -0.331944409980E+03 0.40728E-04 -0.45066E-05 3137 0.202E-02 0.493E-02 RMM: 7 -0.331944415442E+03 -0.54617E-05 -0.29558E-05 2595 0.159E-02 4458 T= 7619. E= 0.67541607E+03 F= 0.62432457E+03 E0= 0.65284201E+03 EK= 0.62046E+02 SP= -.11E+02 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332669008261E+03 -0.72460E+00 -0.16349E-01 7824 0.264E+01 0.214E-01 RMM: 2 -0.332688563189E+03 -0.19555E-01 -0.16220E-01 5258 0.914E-01 0.873E-01 RMM: 3 -0.332682728054E+03 0.58351E-02 -0.14716E-02 6097 0.227E-01 0.164E-01 RMM: 4 -0.332682451967E+03 0.27609E-03 -0.78791E-04 4693 0.677E-02 0.168E-01 RMM: 5 -0.332682262014E+03 0.18995E-03 -0.16097E-04 3901 0.341E-02 0.800E-02 RMM: 6 -0.332682238236E+03 0.23779E-04 -0.38867E-05 3015 0.186E-02 0.598E-02 RMM: 7 -0.332682236973E+03 0.12623E-05 -0.46488E-05 2910 0.188E-02 4459 T= 7689. E= 0.67541369E+03 F= 0.62358675E+03 E0= 0.65206717E+03 EK= 0.62614E+02 SP= -.11E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333002089533E+03 -0.31985E+00 -0.16152E-01 8048 0.264E+01 0.207E-01 RMM: 2 -0.333020597210E+03 -0.18508E-01 -0.15403E-01 5243 0.883E-01 0.831E-01 RMM: 3 -0.333014964812E+03 0.56324E-02 -0.13850E-02 6056 0.228E-01 0.171E-01 RMM: 4 -0.333014706608E+03 0.25820E-03 -0.73157E-04 4694 0.639E-02 0.149E-01 RMM: 5 -0.333014559032E+03 0.14758E-03 -0.13214E-04 3808 0.312E-02 0.806E-02 RMM: 6 -0.333014534716E+03 0.24317E-04 -0.36921E-05 2967 0.184E-02 0.579E-02 RMM: 7 -0.333014540708E+03 -0.59925E-05 -0.49299E-05 2914 0.186E-02 4460 T= 7703. E= 0.67541577E+03 F= 0.62325445E+03 E0= 0.65169550E+03 EK= 0.62726E+02 SP= -.11E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332976119772E+03 0.38415E-01 -0.16524E-01 8072 0.263E+01 0.215E-01 RMM: 2 -0.332995208187E+03 -0.19088E-01 -0.15297E-01 5121 0.891E-01 0.883E-01 RMM: 3 -0.332988988510E+03 0.62197E-02 -0.15006E-02 5904 0.247E-01 0.183E-01 RMM: 4 -0.332988710529E+03 0.27798E-03 -0.82066E-04 4733 0.655E-02 0.138E-01 RMM: 5 -0.332988591039E+03 0.11949E-03 -0.13130E-04 3793 0.315E-02 0.835E-02 RMM: 6 -0.332988559262E+03 0.31777E-04 -0.36669E-05 2945 0.183E-02 0.556E-02 RMM: 7 -0.332988572633E+03 -0.13370E-04 -0.45805E-05 3014 0.187E-02 4461 T= 7666. E= 0.67542190E+03 F= 0.62328042E+03 E0= 0.65168367E+03 EK= 0.62430E+02 SP= -.10E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332689372398E+03 0.29919E+00 -0.16175E-01 8104 0.261E+01 0.221E-01 RMM: 2 -0.332708322366E+03 -0.18950E-01 -0.14101E-01 5129 0.864E-01 0.951E-01 RMM: 3 -0.332701102749E+03 0.72196E-02 -0.13888E-02 5673 0.249E-01 0.217E-01 RMM: 4 -0.332700766081E+03 0.33667E-03 -0.87865E-04 4795 0.660E-02 0.109E-01 RMM: 5 -0.332700697482E+03 0.68600E-04 -0.12029E-04 3805 0.293E-02 0.858E-02 RMM: 6 -0.332700662956E+03 0.34526E-04 -0.35248E-05 2917 0.180E-02 0.547E-02 RMM: 7 -0.332700679766E+03 -0.16810E-04 -0.46457E-05 3041 0.192E-02 4462 T= 7592. E= 0.67543000E+03 F= 0.62356831E+03 E0= 0.65193686E+03 EK= 0.61823E+02 SP= -.10E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332258784191E+03 0.44188E+00 -0.15135E-01 7904 0.258E+01 0.241E-01 RMM: 2 -0.332277256018E+03 -0.18472E-01 -0.12761E-01 5091 0.836E-01 0.103E+00 RMM: 3 -0.332269237887E+03 0.80181E-02 -0.13678E-02 5603 0.254E-01 0.209E-01 RMM: 4 -0.332268924687E+03 0.31320E-03 -0.92351E-04 4783 0.666E-02 0.112E-01 RMM: 5 -0.332268871231E+03 0.53456E-04 -0.12798E-04 3811 0.307E-02 0.963E-02 RMM: 6 -0.332268817284E+03 0.53947E-04 -0.38278E-05 2993 0.187E-02 0.484E-02 RMM: 7 -0.332268829165E+03 -0.11880E-04 -0.33343E-05 2717 0.174E-02 4463 T= 7494. E= 0.67543758E+03 F= 0.62400016E+03 E0= 0.65234028E+03 EK= 0.61028E+02 SP= -.98E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331789404868E+03 0.47941E+00 -0.14279E-01 7744 0.256E+01 0.235E-01 RMM: 2 -0.331808869883E+03 -0.19465E-01 -0.12386E-01 4923 0.838E-01 0.111E+00 RMM: 3 -0.331799877602E+03 0.89923E-02 -0.13820E-02 5444 0.258E-01 0.245E-01 RMM: 4 -0.331799472867E+03 0.40474E-03 -0.10276E-03 4804 0.697E-02 0.934E-02 RMM: 5 -0.331799444560E+03 0.28307E-04 -0.13917E-04 3877 0.319E-02 0.923E-02 RMM: 6 -0.331799395062E+03 0.49498E-04 -0.39402E-05 3004 0.186E-02 0.487E-02 RMM: 7 -0.331799410497E+03 -0.15435E-04 -0.33568E-05 2717 0.176E-02 4464 T= 7387. E= 0.67544338E+03 F= 0.62446958E+03 E0= 0.65278798E+03 EK= 0.60154E+02 SP= -.95E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331358327841E+03 0.44107E+00 -0.13599E-01 7696 0.253E+01 0.230E-01 RMM: 2 -0.331375699133E+03 -0.17371E-01 -0.11167E-01 5046 0.785E-01 0.105E+00 RMM: 3 -0.331367395792E+03 0.83033E-02 -0.11645E-02 5404 0.240E-01 0.208E-01 RMM: 4 -0.331367137780E+03 0.25801E-03 -0.92595E-04 4745 0.655E-02 0.107E-01 RMM: 5 -0.331367098742E+03 0.39038E-04 -0.13189E-04 3849 0.309E-02 0.100E-01 RMM: 6 -0.331367036653E+03 0.62089E-04 -0.42868E-05 3075 0.198E-02 0.409E-02 RMM: 7 -0.331367045270E+03 -0.86173E-05 -0.23515E-05 2548 0.150E-02 4465 T= 7280. E= 0.67544679E+03 F= 0.62490194E+03 E0= 0.65320528E+03 EK= 0.59283E+02 SP= -.91E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330998499720E+03 0.36854E+00 -0.13536E-01 7800 0.251E+01 0.221E-01 RMM: 2 -0.331015461814E+03 -0.16962E-01 -0.11353E-01 4974 0.791E-01 0.101E+00 RMM: 3 -0.331007887574E+03 0.75742E-02 -0.11828E-02 5517 0.237E-01 0.210E-01 RMM: 4 -0.331007595265E+03 0.29231E-03 -0.89611E-04 4724 0.652E-02 0.100E-01 RMM: 5 -0.331007554152E+03 0.41113E-04 -0.12585E-04 3825 0.306E-02 0.872E-02 RMM: 6 -0.331007508584E+03 0.45568E-04 -0.34680E-05 2917 0.178E-02 0.450E-02 RMM: 7 -0.331007517405E+03 -0.88216E-05 -0.25589E-05 2577 0.155E-02 4466 T= 7178. E= 0.67544827E+03 F= 0.62526147E+03 E0= 0.65355465E+03 EK= 0.58456E+02 SP= -.86E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330717172846E+03 0.29034E+00 -0.13285E-01 7912 0.249E+01 0.211E-01 RMM: 2 -0.330733214126E+03 -0.16041E-01 -0.11506E-01 5042 0.777E-01 0.928E-01 RMM: 3 -0.330726529830E+03 0.66843E-02 -0.11438E-02 5516 0.230E-01 0.181E-01 RMM: 4 -0.330726325045E+03 0.20478E-03 -0.84913E-04 4750 0.624E-02 0.112E-01 RMM: 5 -0.330726266826E+03 0.58219E-04 -0.11459E-04 3778 0.283E-02 0.922E-02 RMM: 6 -0.330726217075E+03 0.49751E-04 -0.37264E-05 2962 0.186E-02 0.434E-02 RMM: 7 -0.330726223089E+03 -0.60138E-05 -0.25684E-05 2574 0.154E-02 4467 T= 7083. E= 0.67544858E+03 F= 0.62554277E+03 E0= 0.65382910E+03 EK= 0.57683E+02 SP= -.82E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330502527377E+03 0.22369E+00 -0.13511E-01 8144 0.247E+01 0.214E-01 RMM: 2 -0.330519666991E+03 -0.17140E-01 -0.12223E-01 5114 0.785E-01 0.961E-01 RMM: 3 -0.330512591366E+03 0.70756E-02 -0.11927E-02 5715 0.228E-01 0.196E-01 RMM: 4 -0.330512302144E+03 0.28922E-03 -0.85523E-04 4725 0.636E-02 0.111E-01 RMM: 5 -0.330512237464E+03 0.64679E-04 -0.12074E-04 3770 0.286E-02 0.827E-02 RMM: 6 -0.330512199485E+03 0.37979E-04 -0.29107E-05 2744 0.165E-02 0.478E-02 RMM: 7 -0.330512205463E+03 -0.59786E-05 -0.24693E-05 2588 0.147E-02 4468 T= 6995. E= 0.67544841E+03 F= 0.62575678E+03 E0= 0.65403750E+03 EK= 0.56960E+02 SP= -.77E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330337427137E+03 0.17477E+00 -0.13349E-01 8600 0.245E+01 0.198E-01 RMM: 2 -0.330353215962E+03 -0.15789E-01 -0.12347E-01 5237 0.770E-01 0.844E-01 RMM: 3 -0.330347450836E+03 0.57651E-02 -0.11215E-02 5726 0.217E-01 0.172E-01 RMM: 4 -0.330347224646E+03 0.22619E-03 -0.78253E-04 4849 0.585E-02 0.107E-01 RMM: 5 -0.330347163252E+03 0.61394E-04 -0.10297E-04 3698 0.256E-02 0.830E-02 RMM: 6 -0.330347128088E+03 0.35164E-04 -0.29338E-05 2768 0.168E-02 0.487E-02 RMM: 7 -0.330347130937E+03 -0.28488E-05 -0.29444E-05 2619 0.157E-02 4469 T= 6910. E= 0.67544796E+03 F= 0.62592186E+03 E0= 0.65419737E+03 EK= 0.56271E+02 SP= -.72E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330197796175E+03 0.14933E+00 -0.14039E-01 8808 0.243E+01 0.197E-01 RMM: 2 -0.330215599294E+03 -0.17803E-01 -0.13696E-01 5188 0.798E-01 0.887E-01 RMM: 3 -0.330209090777E+03 0.65085E-02 -0.12315E-02 5873 0.219E-01 0.181E-01 RMM: 4 -0.330208784702E+03 0.30608E-03 -0.78228E-04 4744 0.612E-02 0.111E-01 RMM: 5 -0.330208715090E+03 0.69612E-04 -0.10985E-04 3754 0.270E-02 0.765E-02 RMM: 6 -0.330208685218E+03 0.29872E-04 -0.25132E-05 2615 0.153E-02 0.477E-02 RMM: 7 -0.330208688831E+03 -0.36123E-05 -0.23386E-05 2599 0.140E-02 4470 T= 6827. E= 0.67544656E+03 F= 0.62606030E+03 E0= 0.65432983E+03 EK= 0.55598E+02 SP= -.67E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330059639208E+03 0.14905E+00 -0.15236E-01 8768 0.241E+01 0.183E-01 RMM: 2 -0.330076205432E+03 -0.16566E-01 -0.14049E-01 5321 0.796E-01 0.751E-01 RMM: 3 -0.330071091829E+03 0.51136E-02 -0.11237E-02 5917 0.211E-01 0.155E-01 RMM: 4 -0.330070858817E+03 0.23301E-03 -0.70087E-04 4950 0.547E-02 0.974E-02 RMM: 5 -0.330070803314E+03 0.55503E-04 -0.82258E-05 3623 0.235E-02 0.759E-02 RMM: 6 -0.330070776297E+03 0.27017E-04 -0.24775E-05 2596 0.154E-02 0.475E-02 RMM: 7 -0.330070773287E+03 0.30103E-05 -0.30880E-05 2654 0.159E-02 4471 T= 6744. E= 0.67544494E+03 F= 0.62619822E+03 E0= 0.65446156E+03 EK= 0.54918E+02 SP= -.62E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329892417071E+03 0.17836E+00 -0.16004E-01 8872 0.240E+01 0.154E-01 RMM: 2 -0.329908681491E+03 -0.16264E-01 -0.14074E-01 5357 0.784E-01 0.684E-01 RMM: 3 -0.329904104428E+03 0.45771E-02 -0.10392E-02 5933 0.197E-01 0.136E-01 RMM: 4 -0.329903902714E+03 0.20171E-03 -0.60988E-04 4567 0.546E-02 0.105E-01 RMM: 5 -0.329903832701E+03 0.70012E-04 -0.85731E-05 3574 0.256E-02 0.626E-02 RMM: 6 -0.329903816408E+03 0.16293E-04 -0.21387E-05 2551 0.139E-02 4472 T= 6656. E= 0.67544244E+03 F= 0.62636517E+03 E0= 0.65462258E+03 EK= 0.54206E+02 SP= -.57E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329659816864E+03 0.24402E+00 -0.16537E-01 8824 0.238E+01 0.215E-01 RMM: 2 -0.329682329538E+03 -0.22513E-01 -0.14043E-01 5458 0.770E-01 0.119E+00 RMM: 3 -0.329671181977E+03 0.11148E-01 -0.10901E-02 5494 0.221E-01 0.214E-01 RMM: 4 -0.329670814171E+03 0.36781E-03 -0.97602E-04 4938 0.624E-02 0.808E-02 RMM: 5 -0.329670779973E+03 0.34199E-04 -0.96166E-05 3872 0.243E-02 0.712E-02 RMM: 6 -0.329670762111E+03 0.17861E-04 -0.21165E-05 2562 0.136E-02 4473 T= 6561. E= 0.67544061E+03 F= 0.62659823E+03 E0= 0.65485064E+03 EK= 0.53429E+02 SP= -.52E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329331012600E+03 0.33977E+00 -0.16306E-01 8720 0.237E+01 0.298E-01 RMM: 2 -0.329363288385E+03 -0.32276E-01 -0.13446E-01 5484 0.765E-01 0.172E+00 RMM: 3 -0.329341406181E+03 0.21882E-01 -0.13130E-02 5380 0.267E-01 0.299E-01 RMM: 4 -0.329340752186E+03 0.65400E-03 -0.15165E-03 4803 0.788E-02 0.822E-02 RMM: 5 -0.329340724212E+03 0.27974E-04 -0.16549E-04 4455 0.278E-02 0.824E-02 RMM: 6 -0.329340692454E+03 0.31758E-04 -0.24292E-05 2594 0.151E-02 0.550E-02 RMM: 7 -0.329340715996E+03 -0.23543E-04 -0.35306E-05 2884 0.173E-02 0.859E-02 RMM: 8 -0.329340675372E+03 0.40624E-04 -0.89823E-05 3865 0.211E-02 0.408E-02 RMM: 9 -0.329340666978E+03 0.83945E-05 -0.14901E-05 2523 0.110E-02 4474 T= 6455. E= 0.67543925E+03 F= 0.62692832E+03 E0= 0.65517764E+03 EK= 0.52562E+02 SP= -.46E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328886483609E+03 0.45419E+00 -0.16262E-01 8768 0.236E+01 0.278E-01 RMM: 2 -0.328912875208E+03 -0.26392E-01 -0.13989E-01 5393 0.762E-01 0.141E+00 RMM: 3 -0.328897535943E+03 0.15339E-01 -0.12327E-02 5401 0.250E-01 0.264E-01 RMM: 4 -0.328897162816E+03 0.37313E-03 -0.15383E-03 4814 0.844E-02 0.157E-01 RMM: 5 -0.328897131387E+03 0.31429E-04 -0.24776E-04 3910 0.396E-02 0.146E-01 RMM: 6 -0.328896990240E+03 0.14115E-03 -0.81264E-05 3560 0.265E-02 0.392E-02 RMM: 7 -0.328897002224E+03 -0.11984E-04 -0.27297E-05 2653 0.154E-02 4475 T= 6336. E= 0.67543967E+03 F= 0.62737199E+03 E0= 0.65561968E+03 EK= 0.51594E+02 SP= -.41E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328336305511E+03 0.56068E+00 -0.15583E-01 8808 0.234E+01 0.177E-01 RMM: 2 -0.328353649747E+03 -0.17344E-01 -0.12511E-01 5802 0.728E-01 0.925E-01 RMM: 3 -0.328346654748E+03 0.69950E-02 -0.77151E-03 5447 0.191E-01 0.179E-01 RMM: 4 -0.328346421936E+03 0.23281E-03 -0.71036E-04 4873 0.540E-02 0.766E-02 RMM: 5 -0.328346386175E+03 0.35761E-04 -0.74212E-05 3619 0.218E-02 0.653E-02 RMM: 6 -0.328346365655E+03 0.20520E-04 -0.21588E-05 2552 0.143E-02 0.455E-02 RMM: 7 -0.328346374199E+03 -0.85438E-05 -0.33378E-05 2738 0.163E-02 4476 T= 6206. E= 0.67544257E+03 F= 0.62792262E+03 E0= 0.65617090E+03 EK= 0.50538E+02 SP= -.36E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327713194297E+03 0.63317E+00 -0.15022E-01 8944 0.232E+01 0.176E-01 RMM: 2 -0.327730249138E+03 -0.17055E-01 -0.13504E-01 5330 0.782E-01 0.813E-01 RMM: 3 -0.327724758093E+03 0.54910E-02 -0.11083E-02 5697 0.211E-01 0.164E-01 RMM: 4 -0.327724514685E+03 0.24341E-03 -0.71595E-04 4830 0.568E-02 0.935E-02 RMM: 5 -0.327724459162E+03 0.55523E-04 -0.90108E-05 3661 0.251E-02 0.670E-02 RMM: 6 -0.327724436696E+03 0.22466E-04 -0.23718E-05 2558 0.148E-02 0.426E-02 RMM: 7 -0.327724439054E+03 -0.23575E-05 -0.22387E-05 2545 0.143E-02 4477 T= 6070. E= 0.67544687E+03 F= 0.62854455E+03 E0= 0.65679543E+03 EK= 0.49433E+02 SP= -.30E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327080022343E+03 0.64441E+00 -0.14057E-01 8744 0.229E+01 0.167E-01 RMM: 2 -0.327096342277E+03 -0.16320E-01 -0.13365E-01 5376 0.793E-01 0.765E-01 RMM: 3 -0.327091596241E+03 0.47460E-02 -0.11057E-02 5727 0.206E-01 0.163E-01 RMM: 4 -0.327091313240E+03 0.28300E-03 -0.66010E-04 4754 0.558E-02 0.926E-02 RMM: 5 -0.327091266210E+03 0.47030E-04 -0.88631E-05 3599 0.260E-02 0.639E-02 RMM: 6 -0.327091248006E+03 0.18204E-04 -0.24527E-05 2568 0.151E-02 4478 T= 5937. E= 0.67545201E+03 F= 0.62917774E+03 E0= 0.65743309E+03 EK= 0.48344E+02 SP= -.25E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326508453963E+03 0.58281E+00 -0.12202E-01 8608 0.227E+01 0.225E-01 RMM: 2 -0.326529439570E+03 -0.20986E-01 -0.11452E-01 5309 0.739E-01 0.125E+00 RMM: 3 -0.326517954553E+03 0.11485E-01 -0.10860E-02 5465 0.222E-01 0.238E-01 RMM: 4 -0.326517518812E+03 0.43574E-03 -0.99128E-04 4821 0.646E-02 0.881E-02 RMM: 5 -0.326517481722E+03 0.37090E-04 -0.11146E-04 4017 0.260E-02 0.756E-02 RMM: 6 -0.326517463195E+03 0.18527E-04 -0.21782E-05 2557 0.135E-02 4479 T= 5814. E= 0.67545705E+03 F= 0.62975153E+03 E0= 0.65801318E+03 EK= 0.47343E+02 SP= -.21E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326061041866E+03 0.45644E+00 -0.10924E-01 8328 0.225E+01 0.359E-01 RMM: 2 -0.326097676560E+03 -0.36635E-01 -0.10018E-01 5241 0.738E-01 0.206E+00 RMM: 3 -0.326068625444E+03 0.29051E-01 -0.15570E-02 5360 0.303E-01 0.374E-01 RMM: 4 -0.326067558490E+03 0.10670E-02 -0.19301E-03 4862 0.912E-02 0.900E-02 RMM: 5 -0.326067535604E+03 0.22886E-04 -0.21713E-04 4133 0.314E-02 0.872E-02 RMM: 6 -0.326067493345E+03 0.42258E-04 -0.27796E-05 2660 0.159E-02 0.551E-02 RMM: 7 -0.326067505890E+03 -0.12545E-04 -0.25251E-05 2571 0.153E-02 4480 T= 5710. E= 0.67546024E+03 F= 0.63020148E+03 E0= 0.65847115E+03 EK= 0.46496E+02 SP= -.16E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325777763413E+03 0.28973E+00 -0.10234E-01 7968 0.224E+01 0.323E-01 RMM: 2 -0.325804970480E+03 -0.27207E-01 -0.83182E-02 5196 0.655E-01 0.174E+00 RMM: 3 -0.325783946240E+03 0.21024E-01 -0.12545E-02 5366 0.270E-01 0.342E-01 RMM: 4 -0.325783192107E+03 0.75413E-03 -0.16448E-03 4805 0.868E-02 0.124E-01 RMM: 5 -0.325783281748E+03 -0.89641E-04 -0.29434E-04 3904 0.426E-02 0.173E-01 RMM: 6 -0.325783087678E+03 0.19407E-03 -0.11191E-04 3795 0.314E-02 0.466E-02 RMM: 7 -0.325783079161E+03 0.85174E-05 -0.18838E-05 2552 0.129E-02 4481 T= 5630. E= 0.67546205E+03 F= 0.63048591E+03 E0= 0.65876638E+03 EK= 0.45846E+02 SP= -.12E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325674506377E+03 0.10858E+00 -0.10451E-01 7944 0.222E+01 0.285E-01 RMM: 2 -0.325700511419E+03 -0.26005E-01 -0.87613E-02 5171 0.682E-01 0.167E+00 RMM: 3 -0.325681231459E+03 0.19280E-01 -0.11463E-02 5381 0.250E-01 0.274E-01 RMM: 4 -0.325680677412E+03 0.55405E-03 -0.12464E-03 4729 0.709E-02 0.893E-02 RMM: 5 -0.325680638402E+03 0.39009E-04 -0.15042E-04 3877 0.317E-02 0.745E-02 RMM: 6 -0.325680596893E+03 0.41509E-04 -0.30429E-05 2794 0.166E-02 0.407E-02 RMM: 7 -0.325680596225E+03 0.66846E-06 -0.17259E-05 2505 0.130E-02 4482 T= 5576. E= 0.67546226E+03 F= 0.63058839E+03 E0= 0.65888238E+03 EK= 0.45409E+02 SP= -.81E+00 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325750037068E+03 -0.69440E-01 -0.10375E-01 8400 0.222E+01 0.183E-01 RMM: 2 -0.325761562776E+03 -0.11526E-01 -0.75156E-02 5200 0.619E-01 0.862E-01 RMM: 3 -0.325756021149E+03 0.55416E-02 -0.73277E-03 5477 0.185E-01 0.165E-01 RMM: 4 -0.325755835410E+03 0.18574E-03 -0.64436E-04 4720 0.519E-02 0.793E-02 RMM: 5 -0.325755807907E+03 0.27503E-04 -0.80265E-05 3632 0.238E-02 0.704E-02 RMM: 6 -0.325755779846E+03 0.28061E-04 -0.22910E-05 2586 0.150E-02 0.356E-02 RMM: 7 -0.325755784588E+03 -0.47417E-05 -0.14650E-05 2507 0.117E-02 4483 T= 5548. E= 0.67546135E+03 F= 0.63051320E+03 E0= 0.65882425E+03 EK= 0.45181E+02 SP= -.46E+00 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325984993429E+03 -0.22921E+00 -0.10233E-01 8224 0.221E+01 0.193E-01 RMM: 2 -0.325998413291E+03 -0.13420E-01 -0.90298E-02 5097 0.676E-01 0.928E-01 RMM: 3 -0.325992325005E+03 0.60883E-02 -0.91878E-03 5803 0.192E-01 0.181E-01 RMM: 4 -0.325992036751E+03 0.28825E-03 -0.67406E-04 4716 0.573E-02 0.102E-01 RMM: 5 -0.325991984508E+03 0.52243E-04 -0.10317E-04 3707 0.268E-02 0.743E-02 RMM: 6 -0.325991950834E+03 0.33673E-04 -0.27407E-05 2770 0.165E-02 0.383E-02 RMM: 7 -0.325991951798E+03 -0.96393E-06 -0.15805E-05 2505 0.120E-02 4484 T= 5544. E= 0.67545996E+03 F= 0.63027704E+03 E0= 0.65860966E+03 EK= 0.45146E+02 SP= -.14E+00 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326359171497E+03 -0.36722E+00 -0.10380E-01 8608 0.221E+01 0.168E-01 RMM: 2 -0.326370630042E+03 -0.11459E-01 -0.92169E-02 5246 0.666E-01 0.705E-01 RMM: 3 -0.326366655209E+03 0.39748E-02 -0.85403E-03 5802 0.184E-01 0.143E-01 RMM: 4 -0.326366475609E+03 0.17960E-03 -0.55555E-04 4670 0.493E-02 0.915E-02 RMM: 5 -0.326366423829E+03 0.51780E-04 -0.69692E-05 3487 0.228E-02 0.664E-02 RMM: 6 -0.326366403313E+03 0.20516E-04 -0.21372E-05 2549 0.143E-02 0.434E-02 RMM: 7 -0.326366401950E+03 0.13627E-05 -0.21630E-05 2577 0.135E-02 4485 T= 5560. E= 0.67545765E+03 F= 0.62990259E+03 E0= 0.65826186E+03 EK= 0.45280E+02 SP= 0.14E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326844095612E+03 -0.47769E+00 -0.11188E-01 8784 0.221E+01 0.167E-01 RMM: 2 -0.326856943748E+03 -0.12848E-01 -0.98526E-02 5146 0.690E-01 0.787E-01 RMM: 3 -0.326852304770E+03 0.46390E-02 -0.98794E-03 6023 0.189E-01 0.160E-01 RMM: 4 -0.326852048375E+03 0.25639E-03 -0.59758E-04 4578 0.546E-02 0.960E-02 RMM: 5 -0.326851997913E+03 0.50462E-04 -0.89992E-05 3569 0.252E-02 0.679E-02 RMM: 6 -0.326851973712E+03 0.24201E-04 -0.23911E-05 2588 0.149E-02 0.409E-02 RMM: 7 -0.326851974114E+03 -0.40270E-06 -0.16497E-05 2514 0.123E-02 4486 T= 5594. E= 0.67545505E+03 F= 0.62941702E+03 E0= 0.65780868E+03 EK= 0.45554E+02 SP= 0.38E+00 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327408871576E+03 -0.55690E+00 -0.12500E-01 8600 0.222E+01 0.157E-01 RMM: 2 -0.327422734245E+03 -0.13863E-01 -0.12115E-01 5124 0.767E-01 0.646E-01 RMM: 3 -0.327419246803E+03 0.34874E-02 -0.12164E-02 6023 0.203E-01 0.138E-01 RMM: 4 -0.327418990704E+03 0.25610E-03 -0.60093E-04 4702 0.533E-02 0.928E-02 RMM: 5 -0.327418935429E+03 0.55275E-04 -0.81835E-05 3553 0.248E-02 0.608E-02 RMM: 6 -0.327418918468E+03 0.16961E-04 -0.23717E-05 2555 0.143E-02 4487 T= 5641. E= 0.67545214E+03 F= 0.62885007E+03 E0= 0.65727895E+03 EK= 0.45937E+02 SP= 0.59E+00 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328024451474E+03 -0.60552E+00 -0.12235E-01 8968 0.222E+01 0.176E-01 RMM: 2 -0.328039844134E+03 -0.15393E-01 -0.10875E-01 5226 0.714E-01 0.908E-01 RMM: 3 -0.328033528247E+03 0.63159E-02 -0.10456E-02 5755 0.203E-01 0.178E-01 RMM: 4 -0.328033239160E+03 0.28909E-03 -0.71276E-04 4813 0.548E-02 0.775E-02 RMM: 5 -0.328033203019E+03 0.36142E-04 -0.77680E-05 3533 0.220E-02 0.638E-02 RMM: 6 -0.328033190620E+03 0.12399E-04 -0.20939E-05 2532 0.131E-02 4488 T= 5697. E= 0.67544930E+03 F= 0.62823580E+03 E0= 0.65670647E+03 EK= 0.46395E+02 SP= 0.77E+00 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328650400807E+03 -0.61720E+00 -0.12462E-01 8872 0.223E+01 0.297E-01 RMM: 2 -0.328679595537E+03 -0.29195E-01 -0.11290E-01 5198 0.749E-01 0.169E+00 RMM: 3 -0.328659117452E+03 0.20478E-01 -0.13645E-02 5410 0.270E-01 0.292E-01 RMM: 4 -0.328658476395E+03 0.64106E-03 -0.15187E-03 4778 0.797E-02 0.783E-02 RMM: 5 -0.328658449235E+03 0.27160E-04 -0.17192E-04 4375 0.284E-02 0.771E-02 RMM: 6 -0.328658417873E+03 0.31362E-04 -0.23494E-05 2579 0.144E-02 0.523E-02 RMM: 7 -0.328658430191E+03 -0.12318E-04 -0.25897E-05 2607 0.154E-02 4489 T= 5758. E= 0.67544619E+03 F= 0.62761056E+03 E0= 0.65612639E+03 EK= 0.46889E+02 SP= 0.91E+00 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329249084836E+03 -0.59067E+00 -0.12931E-01 8832 0.224E+01 0.286E-01 RMM: 2 -0.329275063174E+03 -0.25978E-01 -0.12062E-01 5158 0.756E-01 0.151E+00 RMM: 3 -0.329258527100E+03 0.16536E-01 -0.12830E-02 5425 0.256E-01 0.295E-01 RMM: 4 -0.329257967986E+03 0.55911E-03 -0.16001E-03 4798 0.855E-02 0.128E-01 RMM: 5 -0.329258026641E+03 -0.58655E-04 -0.26766E-04 3904 0.398E-02 0.159E-01 RMM: 6 -0.329257859783E+03 0.16686E-03 -0.88769E-05 3605 0.276E-02 0.396E-02 RMM: 7 -0.329257855478E+03 0.43053E-05 -0.18048E-05 2535 0.127E-02 4490 T= 5818. E= 0.67544375E+03 F= 0.62701113E+03 E0= 0.65557387E+03 EK= 0.47382E+02 SP= 0.10E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329790566210E+03 -0.53271E+00 -0.13365E-01 8872 0.225E+01 0.246E-01 RMM: 2 -0.329814318254E+03 -0.23752E-01 -0.12300E-01 5219 0.759E-01 0.139E+00 RMM: 3 -0.329800408589E+03 0.13910E-01 -0.11883E-02 5483 0.238E-01 0.238E-01 RMM: 4 -0.329799973723E+03 0.43487E-03 -0.11382E-03 4847 0.685E-02 0.915E-02 RMM: 5 -0.329799932961E+03 0.40761E-04 -0.14326E-04 3886 0.298E-02 0.814E-02 RMM: 6 -0.329799888688E+03 0.44273E-04 -0.29826E-05 2758 0.164E-02 0.438E-02 RMM: 7 -0.329799886726E+03 0.19622E-05 -0.17352E-05 2507 0.129E-02 4491 T= 5875. E= 0.67544213E+03 F= 0.62646910E+03 E0= 0.65507854E+03 EK= 0.47841E+02 SP= 0.11E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330254666919E+03 -0.45478E+00 -0.12852E-01 8880 0.225E+01 0.196E-01 RMM: 2 -0.330272215567E+03 -0.17549E-01 -0.11927E-01 5180 0.749E-01 0.998E-01 RMM: 3 -0.330264393860E+03 0.78217E-02 -0.10702E-02 5666 0.213E-01 0.186E-01 RMM: 4 -0.330264094584E+03 0.29928E-03 -0.83219E-04 4796 0.606E-02 0.823E-02 RMM: 5 -0.330264070586E+03 0.23997E-04 -0.10929E-04 3814 0.257E-02 0.762E-02 RMM: 6 -0.330264038172E+03 0.32414E-04 -0.23816E-05 2592 0.149E-02 0.382E-02 RMM: 7 -0.330264041117E+03 -0.29449E-05 -0.14483E-05 2502 0.119E-02 4492 T= 5924. E= 0.67544147E+03 F= 0.62600495E+03 E0= 0.65465957E+03 EK= 0.48244E+02 SP= 0.12E+01 SK= 0.63E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330634854130E+03 -0.37082E+00 -0.13344E-01 8568 0.226E+01 0.205E-01 RMM: 2 -0.330654180040E+03 -0.19326E-01 -0.14117E-01 4958 0.847E-01 0.995E-01 RMM: 3 -0.330646999289E+03 0.71808E-02 -0.14916E-02 5879 0.236E-01 0.201E-01 RMM: 4 -0.330646567234E+03 0.43206E-03 -0.91230E-04 4784 0.671E-02 0.108E-01 RMM: 5 -0.330646519720E+03 0.47515E-04 -0.14500E-04 3859 0.306E-02 0.855E-02 RMM: 6 -0.330646472145E+03 0.47575E-04 -0.33559E-05 2895 0.175E-02 0.375E-02 RMM: 7 -0.330646472371E+03 -0.22615E-06 -0.15956E-05 2498 0.126E-02 4493 T= 5966. E= 0.67544199E+03 F= 0.62562252E+03 E0= 0.65431896E+03 EK= 0.48586E+02 SP= 0.12E+01 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330947839006E+03 -0.30137E+00 -0.12864E-01 8608 0.226E+01 0.178E-01 RMM: 2 -0.330964000907E+03 -0.16162E-01 -0.12737E-01 5036 0.801E-01 0.830E-01 RMM: 3 -0.330958742394E+03 0.52585E-02 -0.13092E-02 5940 0.217E-01 0.162E-01 RMM: 4 -0.330958411058E+03 0.33134E-03 -0.69699E-04 4800 0.583E-02 0.102E-01 RMM: 5 -0.330958354932E+03 0.56126E-04 -0.98688E-05 3670 0.261E-02 0.696E-02 RMM: 6 -0.330958331637E+03 0.23294E-04 -0.25657E-05 2610 0.154E-02 0.454E-02 RMM: 7 -0.330958337617E+03 -0.59791E-05 -0.23843E-05 2563 0.145E-02 4494 T= 6002. E= 0.67544353E+03 F= 0.62531065E+03 E0= 0.65404452E+03 EK= 0.48877E+02 SP= 0.13E+01 SK= 0.45E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331213311856E+03 -0.25498E+00 -0.11838E-01 8304 0.226E+01 0.196E-01 RMM: 2 -0.331228857686E+03 -0.15546E-01 -0.11445E-01 4991 0.762E-01 0.902E-01 RMM: 3 -0.331222959150E+03 0.58985E-02 -0.12142E-02 5938 0.213E-01 0.193E-01 RMM: 4 -0.331222593727E+03 0.36542E-03 -0.74915E-04 4713 0.615E-02 0.105E-01 RMM: 5 -0.331222539779E+03 0.53948E-04 -0.11680E-04 3712 0.278E-02 0.761E-02 RMM: 6 -0.331222504913E+03 0.34866E-04 -0.29729E-05 2802 0.170E-02 0.368E-02 RMM: 7 -0.331222507633E+03 -0.27205E-05 -0.15875E-05 2499 0.124E-02 4495 T= 6034. E= 0.67544521E+03 F= 0.62504648E+03 E0= 0.65381237E+03 EK= 0.49137E+02 SP= 0.13E+01 SK= 0.25E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.331457009629E+03 -0.23450E+00 -0.12097E-01 8200 0.226E+01 0.171E-01 RMM: 2 -0.331471364735E+03 -0.14355E-01 -0.11436E-01 4987 0.766E-01 0.782E-01 RMM: 3 -0.331466714166E+03 0.46506E-02 -0.12180E-02 5999 0.209E-01 0.153E-01 RMM: 4 -0.331466418663E+03 0.29550E-03 -0.62485E-04 4735 0.566E-02 0.107E-01 RMM: 5 -0.331466347893E+03 0.70769E-04 -0.92745E-05 3590 0.266E-02 0.646E-02 RMM: 6 -0.331466327880E+03 0.20013E-04 -0.24994E-05 2583 0.152E-02 0.455E-02 RMM: 7 -0.331466325391E+03 0.24896E-05 -0.29172E-05 2626 0.158E-02 4496 T= 6066. E= 0.67544666E+03 F= 0.62480266E+03 E0= 0.65359518E+03 EK= 0.49394E+02 SP= 0.12E+01 SK= 0.87E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331702507945E+03 -0.23618E+00 -0.12312E-01 7920 0.226E+01 0.170E-01 RMM: 2 -0.331717082255E+03 -0.14574E-01 -0.11514E-01 4896 0.783E-01 0.797E-01 RMM: 3 -0.331712521224E+03 0.45610E-02 -0.13122E-02 5995 0.213E-01 0.169E-01 RMM: 4 -0.331712161647E+03 0.35958E-03 -0.66254E-04 4697 0.600E-02 0.962E-02 RMM: 5 -0.331712108874E+03 0.52773E-04 -0.97185E-05 3617 0.270E-02 0.681E-02 RMM: 6 -0.331712083603E+03 0.25271E-04 -0.26155E-05 2622 0.159E-02 0.401E-02 RMM: 7 -0.331712085563E+03 -0.19592E-05 -0.18591E-05 2517 0.132E-02 4497 T= 6099. E= 0.67544744E+03 F= 0.62455690E+03 E0= 0.65337007E+03 EK= 0.49668E+02 SP= 0.12E+01 SK= 0.27E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331961522878E+03 -0.24944E+00 -0.11802E-01 8208 0.226E+01 0.162E-01 RMM: 2 -0.331973656988E+03 -0.12134E-01 -0.95325E-02 5003 0.701E-01 0.741E-01 RMM: 3 -0.331969485765E+03 0.41712E-02 -0.98937E-03 5943 0.193E-01 0.149E-01 RMM: 4 -0.331969241886E+03 0.24388E-03 -0.54069E-04 4633 0.531E-02 0.980E-02 RMM: 5 -0.331969186307E+03 0.55579E-04 -0.83409E-05 3537 0.258E-02 0.627E-02 RMM: 6 -0.331969166112E+03 0.20195E-04 -0.23661E-05 2564 0.150E-02 0.407E-02 RMM: 7 -0.331969166970E+03 -0.85750E-06 -0.21475E-05 2550 0.138E-02 4498 T= 6136. E= 0.67544634E+03 F= 0.62429982E+03 E0= 0.65312852E+03 EK= 0.49966E+02 SP= 0.12E+01 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332219457533E+03 -0.25029E+00 -0.11594E-01 8120 0.226E+01 0.143E-01 RMM: 2 -0.332230744333E+03 -0.11287E-01 -0.95450E-02 4901 0.707E-01 0.641E-01 RMM: 3 -0.332227679607E+03 0.30647E-02 -0.10486E-02 6035 0.192E-01 0.132E-01 RMM: 4 -0.332227452824E+03 0.22678E-03 -0.47478E-04 4547 0.515E-02 0.978E-02 RMM: 5 -0.332227391310E+03 0.61514E-04 -0.73792E-05 3437 0.257E-02 0.574E-02 RMM: 6 -0.332227375612E+03 0.15698E-04 -0.22993E-05 2547 0.146E-02 4499 T= 6174. E= 0.67544412E+03 F= 0.62404161E+03 E0= 0.65288053E+03 EK= 0.50277E+02 SP= 0.11E+01 SK= 0.84E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332451867333E+03 -0.22448E+00 -0.11395E-01 8288 0.226E+01 0.175E-01 RMM: 2 -0.332465490415E+03 -0.13623E-01 -0.92136E-02 4942 0.690E-01 0.896E-01 RMM: 3 -0.332459616180E+03 0.58742E-02 -0.99915E-03 5550 0.209E-01 0.206E-01 RMM: 4 -0.332459263793E+03 0.35239E-03 -0.72903E-04 4776 0.578E-02 0.734E-02 RMM: 5 -0.332459233010E+03 0.30784E-04 -0.85464E-05 3707 0.247E-02 0.617E-02 RMM: 6 -0.332459217045E+03 0.15964E-04 -0.20651E-05 2532 0.136E-02 4500 T= 6210. E= 0.67544146E+03 F= 0.62380977E+03 E0= 0.65265401E+03 EK= 0.50574E+02 SP= 0.10E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332619791736E+03 -0.16056E+00 -0.11054E-01 7936 0.227E+01 0.289E-01 RMM: 2 -0.332651209840E+03 -0.31418E-01 -0.95962E-02 4858 0.739E-01 0.184E+00 RMM: 3 -0.332627141823E+03 0.24068E-01 -0.13929E-02 5404 0.277E-01 0.250E-01 RMM: 4 -0.332626677557E+03 0.46427E-03 -0.14610E-03 4922 0.752E-02 0.815E-02 RMM: 5 -0.332626641439E+03 0.36117E-04 -0.14533E-04 3954 0.305E-02 0.766E-02 RMM: 6 -0.332626610862E+03 0.30578E-04 -0.30425E-05 2653 0.166E-02 0.497E-02 RMM: 7 -0.332626619630E+03 -0.87685E-05 -0.26062E-05 2593 0.158E-02 4501 T= 6240. E= 0.67543835E+03 F= 0.62364237E+03 E0= 0.65248746E+03 EK= 0.50817E+02 SP= 0.96E+00 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332680762213E+03 -0.54151E-01 -0.11135E-01 8120 0.228E+01 0.258E-01 RMM: 2 -0.332704101738E+03 -0.23340E-01 -0.10169E-01 4802 0.741E-01 0.146E+00 RMM: 3 -0.332689066097E+03 0.15036E-01 -0.13338E-02 5418 0.261E-01 0.286E-01 RMM: 4 -0.332688522091E+03 0.54401E-03 -0.14824E-03 4853 0.821E-02 0.109E-01 RMM: 5 -0.332688545762E+03 -0.23671E-04 -0.23671E-04 3890 0.389E-02 0.125E-01 RMM: 6 -0.332688440521E+03 0.10524E-03 -0.68774E-05 3418 0.244E-02 0.336E-02 RMM: 7 -0.332688440021E+03 0.49984E-06 -0.16875E-05 2519 0.127E-02 4502 T= 6258. E= 0.67543597E+03 F= 0.62358055E+03 E0= 0.65242247E+03 EK= 0.50964E+02 SP= 0.87E+00 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332602318890E+03 0.86122E-01 -0.11231E-01 7792 0.229E+01 0.170E-01 RMM: 2 -0.332616675407E+03 -0.14357E-01 -0.10397E-01 4897 0.730E-01 0.867E-01 RMM: 3 -0.332611022304E+03 0.56531E-02 -0.11521E-02 5704 0.216E-01 0.147E-01 RMM: 4 -0.332610807728E+03 0.21458E-03 -0.70186E-04 5148 0.528E-02 0.852E-02 RMM: 5 -0.332610749250E+03 0.58478E-04 -0.77728E-05 3522 0.257E-02 0.597E-02 RMM: 6 -0.332610731784E+03 0.17467E-04 -0.25479E-05 2557 0.151E-02 4503 T= 6261. E= 0.67543510E+03 F= 0.62365826E+03 E0= 0.65249186E+03 EK= 0.50983E+02 SP= 0.77E+00 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332369967272E+03 0.24078E+00 -0.11135E-01 7864 0.229E+01 0.226E-01 RMM: 2 -0.332388939102E+03 -0.18972E-01 -0.10389E-01 4831 0.749E-01 0.120E+00 RMM: 3 -0.332378482292E+03 0.10457E-01 -0.12915E-02 5518 0.243E-01 0.198E-01 RMM: 4 -0.332378153398E+03 0.32889E-03 -0.10629E-03 5075 0.634E-02 0.753E-02 RMM: 5 -0.332378122384E+03 0.31015E-04 -0.10788E-04 3805 0.273E-02 0.722E-02 RMM: 6 -0.332378094583E+03 0.27800E-04 -0.27020E-05 2578 0.152E-02 0.503E-02 RMM: 7 -0.332378112299E+03 -0.17716E-04 -0.34440E-05 2893 0.171E-02 4504 T= 6245. E= 0.67543556E+03 F= 0.62389088E+03 E0= 0.65271280E+03 EK= 0.50857E+02 SP= 0.66E+00 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331992289106E+03 0.38581E+00 -0.10833E-01 7864 0.229E+01 0.245E-01 RMM: 2 -0.332011106856E+03 -0.18818E-01 -0.98972E-02 4877 0.741E-01 0.126E+00 RMM: 3 -0.332000097162E+03 0.11010E-01 -0.12072E-02 5531 0.238E-01 0.224E-01 RMM: 4 -0.331999756941E+03 0.34022E-03 -0.11547E-03 4710 0.730E-02 0.119E-01 RMM: 5 -0.331999763296E+03 -0.63547E-05 -0.19446E-04 3870 0.357E-02 4505 T= 6213. E= 0.67543921E+03 F= 0.62426923E+03 E0= 0.65307546E+03 EK= 0.50597E+02 SP= 0.54E+00 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331504839329E+03 0.49492E+00 -0.10554E-01 7904 0.229E+01 0.193E-01 RMM: 2 -0.331521835504E+03 -0.16996E-01 -0.10858E-01 5031 0.754E-01 0.105E+00 RMM: 3 -0.331514029234E+03 0.78063E-02 -0.12187E-02 5679 0.220E-01 0.173E-01 RMM: 4 -0.331513743781E+03 0.28545E-03 -0.84116E-04 5475 0.547E-02 0.861E-02 RMM: 5 -0.331513682125E+03 0.61657E-04 -0.77777E-05 3547 0.248E-02 0.709E-02 RMM: 6 -0.331513669935E+03 0.12189E-04 -0.33392E-05 2818 0.169E-02 4506 T= 6170. E= 0.67544420E+03 F= 0.62475532E+03 E0= 0.65354456E+03 EK= 0.50241E+02 SP= 0.41E+00 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330972426135E+03 0.54126E+00 -0.10955E-01 7736 0.228E+01 0.296E-01 RMM: 2 -0.331008415881E+03 -0.35990E-01 -0.12215E-01 4786 0.825E-01 0.192E+00 RMM: 3 -0.330982134952E+03 0.26281E-01 -0.17187E-02 5400 0.300E-01 0.204E-01 RMM: 4 -0.330981857637E+03 0.27731E-03 -0.19392E-03 5424 0.760E-02 0.927E-02 RMM: 5 -0.330981816701E+03 0.40936E-04 -0.14977E-04 3881 0.315E-02 0.905E-02 RMM: 6 -0.330981766724E+03 0.49977E-04 -0.33063E-05 2860 0.172E-02 0.414E-02 RMM: 7 -0.330981770666E+03 -0.39423E-05 -0.18747E-05 2516 0.141E-02 4507 T= 6122. E= 0.67544940E+03 F= 0.62528722E+03 E0= 0.65405767E+03 EK= 0.49850E+02 SP= 0.27E+00 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330470543367E+03 0.51122E+00 -0.10658E-01 7688 0.227E+01 0.381E-01 RMM: 2 -0.330512642520E+03 -0.42099E-01 -0.12950E-01 4920 0.867E-01 0.218E+00 RMM: 3 -0.330480182195E+03 0.32460E-01 -0.19985E-02 5376 0.337E-01 0.370E-01 RMM: 4 -0.330479201725E+03 0.98047E-03 -0.23254E-03 5117 0.972E-02 0.890E-02 RMM: 5 -0.330479267511E+03 -0.65786E-04 -0.29141E-04 3916 0.382E-02 0.143E-01 RMM: 6 -0.330479129203E+03 0.13831E-03 -0.73408E-05 3502 0.239E-02 0.392E-02 RMM: 7 -0.330479122982E+03 0.62212E-05 -0.17484E-05 2527 0.122E-02 4508 T= 6079. E= 0.67545498E+03 F= 0.62578987E+03 E0= 0.65454270E+03 EK= 0.49501E+02 SP= 0.11E+00 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330069392236E+03 0.40974E+00 -0.10775E-01 7768 0.226E+01 0.238E-01 RMM: 2 -0.330091094266E+03 -0.21702E-01 -0.10388E-01 4922 0.767E-01 0.139E+00 RMM: 3 -0.330077943374E+03 0.13151E-01 -0.12380E-02 5455 0.243E-01 0.225E-01 RMM: 4 -0.330077555171E+03 0.38820E-03 -0.11188E-03 4829 0.673E-02 0.820E-02 RMM: 5 -0.330077540560E+03 0.14611E-04 -0.14550E-04 3885 0.309E-02 4509 T= 6050. E= 0.67545996E+03 F= 0.62619145E+03 E0= 0.65492950E+03 EK= 0.49267E+02 SP= -.66E-01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329820739160E+03 0.25682E+00 -0.10581E-01 7776 0.226E+01 0.154E-01 RMM: 2 -0.329833116794E+03 -0.12378E-01 -0.10308E-01 4900 0.739E-01 0.664E-01 RMM: 3 -0.329829876177E+03 0.32406E-02 -0.11703E-02 5937 0.200E-01 0.153E-01 RMM: 4 -0.329829584166E+03 0.29201E-03 -0.54235E-04 4840 0.503E-02 0.847E-02 RMM: 5 -0.329829546960E+03 0.37206E-04 -0.73597E-05 3449 0.237E-02 0.753E-02 RMM: 6 -0.329829529589E+03 0.17371E-04 -0.32115E-05 2645 0.171E-02 4510 T= 6042. E= 0.67546304E+03 F= 0.62643946E+03 E0= 0.65516603E+03 EK= 0.49201E+02 SP= -.26E+00 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329750861296E+03 0.78686E-01 -0.11924E-01 7648 0.227E+01 0.370E-01 RMM: 2 -0.329796829845E+03 -0.45969E-01 -0.15089E-01 4744 0.918E-01 0.222E+00 RMM: 3 -0.329762858117E+03 0.33972E-01 -0.22354E-02 5385 0.348E-01 0.374E-01 RMM: 4 -0.329761873978E+03 0.98414E-03 -0.25654E-03 5316 0.977E-02 0.968E-02 RMM: 5 -0.329761924908E+03 -0.50929E-04 -0.31079E-04 3933 0.380E-02 0.141E-01 RMM: 6 -0.329761801524E+03 0.12338E-03 -0.75929E-05 3541 0.243E-02 0.516E-02 RMM: 7 -0.329761789835E+03 0.11690E-04 -0.22014E-05 2568 0.141E-02 4511 T= 6057. E= 0.67546428E+03 F= 0.62650720E+03 E0= 0.65522711E+03 EK= 0.49329E+02 SP= -.47E+00 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329869170014E+03 -0.10737E+00 -0.11921E-01 7848 0.227E+01 0.420E-01 RMM: 2 -0.329926350602E+03 -0.57181E-01 -0.14924E-01 4882 0.934E-01 0.259E+00 RMM: 3 -0.329880766991E+03 0.45584E-01 -0.23835E-02 5389 0.370E-01 0.411E-01 RMM: 4 -0.329879503858E+03 0.12631E-02 -0.30533E-03 5295 0.112E-01 0.143E-01 RMM: 5 -0.329879455628E+03 0.48231E-04 -0.39036E-04 3931 0.419E-02 0.125E-01 RMM: 6 -0.329879350622E+03 0.10501E-03 -0.82517E-05 3636 0.248E-02 0.594E-02 RMM: 7 -0.329879336896E+03 0.13726E-04 -0.22395E-05 2572 0.138E-02 4512 T= 6098. E= 0.67546407E+03 F= 0.62638965E+03 E0= 0.65510780E+03 EK= 0.49657E+02 SP= -.69E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330157686884E+03 -0.27834E+00 -0.12698E-01 7912 0.229E+01 0.299E-01 RMM: 2 -0.330188098842E+03 -0.30412E-01 -0.14948E-01 4944 0.891E-01 0.159E+00 RMM: 3 -0.330170073888E+03 0.18025E-01 -0.19067E-02 5457 0.301E-01 0.287E-01 RMM: 4 -0.330169464716E+03 0.60917E-03 -0.18970E-03 5220 0.828E-02 0.102E-01 RMM: 5 -0.330169419888E+03 0.44828E-04 -0.21159E-04 3981 0.350E-02 0.939E-02 RMM: 6 -0.330169367248E+03 0.52640E-04 -0.38064E-05 2957 0.185E-02 0.486E-02 RMM: 7 -0.330169364323E+03 0.29257E-05 -0.15828E-05 2508 0.128E-02 4513 T= 6161. E= 0.67546340E+03 F= 0.62609962E+03 E0= 0.65481973E+03 EK= 0.50174E+02 SP= -.93E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330598147950E+03 -0.42878E+00 -0.13241E-01 8120 0.230E+01 0.240E-01 RMM: 2 -0.330622576727E+03 -0.24429E-01 -0.16161E-01 4841 0.924E-01 0.121E+00 RMM: 3 -0.330612355512E+03 0.10221E-01 -0.19361E-02 5746 0.272E-01 0.255E-01 RMM: 4 -0.330611715186E+03 0.64033E-03 -0.13086E-03 4922 0.769E-02 0.112E-01 RMM: 5 -0.330611655778E+03 0.59408E-04 -0.18738E-04 3978 0.336E-02 0.806E-02 RMM: 6 -0.330611618843E+03 0.36935E-04 -0.33715E-05 2791 0.170E-02 0.544E-02 RMM: 7 -0.330611616349E+03 0.24933E-05 -0.18735E-05 2518 0.139E-02 4514 T= 6245. E= 0.67546179E+03 F= 0.62565737E+03 E0= 0.65438253E+03 EK= 0.50858E+02 SP= -.12E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331165297516E+03 -0.55368E+00 -0.13968E-01 8248 0.231E+01 0.253E-01 RMM: 2 -0.331190329422E+03 -0.25032E-01 -0.15897E-01 4882 0.913E-01 0.124E+00 RMM: 3 -0.331178912972E+03 0.11416E-01 -0.18597E-02 5605 0.280E-01 0.238E-01 RMM: 4 -0.331178414693E+03 0.49828E-03 -0.14018E-03 4945 0.772E-02 0.116E-01 RMM: 5 -0.331178358226E+03 0.56467E-04 -0.19582E-04 3982 0.351E-02 0.904E-02 RMM: 6 -0.331178308964E+03 0.49262E-04 -0.39954E-05 2975 0.189E-02 0.471E-02 RMM: 7 -0.331178310984E+03 -0.20204E-05 -0.16810E-05 2516 0.133E-02 4515 T= 6346. E= 0.67545962E+03 F= 0.62509068E+03 E0= 0.65382179E+03 EK= 0.51678E+02 SP= -.15E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331822131756E+03 -0.64382E+00 -0.13802E-01 8544 0.233E+01 0.230E-01 RMM: 2 -0.331844342036E+03 -0.22210E-01 -0.14525E-01 4951 0.865E-01 0.117E+00 RMM: 3 -0.331834500715E+03 0.98413E-02 -0.16110E-02 5767 0.260E-01 0.227E-01 RMM: 4 -0.331834063466E+03 0.43725E-03 -0.11272E-03 4804 0.719E-02 0.114E-01 RMM: 5 -0.331834007613E+03 0.55853E-04 -0.16490E-04 3890 0.332E-02 0.860E-02 RMM: 6 -0.331833967285E+03 0.40329E-04 -0.38828E-05 2963 0.185E-02 0.491E-02 RMM: 7 -0.331833969620E+03 -0.23357E-05 -0.20518E-05 2526 0.144E-02 4516 T= 6459. E= 0.67545613E+03 F= 0.62443502E+03 E0= 0.65317237E+03 EK= 0.52596E+02 SP= -.17E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332517562195E+03 -0.68359E+00 -0.14252E-01 8496 0.235E+01 0.227E-01 RMM: 2 -0.332540000415E+03 -0.22438E-01 -0.15430E-01 4954 0.882E-01 0.110E+00 RMM: 3 -0.332530746953E+03 0.92535E-02 -0.16637E-02 5679 0.264E-01 0.228E-01 RMM: 4 -0.332530295851E+03 0.45110E-03 -0.11677E-03 4804 0.736E-02 0.116E-01 RMM: 5 -0.332530242655E+03 0.53196E-04 -0.17796E-04 3922 0.347E-02 0.919E-02 RMM: 6 -0.332530190297E+03 0.52358E-04 -0.39624E-05 2968 0.190E-02 0.442E-02 RMM: 7 -0.332530191929E+03 -0.16319E-05 -0.16647E-05 2512 0.131E-02 4517 T= 6577. E= 0.67545180E+03 F= 0.62373880E+03 E0= 0.65248098E+03 EK= 0.53560E+02 SP= -.20E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333193597560E+03 -0.66341E+00 -0.14445E-01 8552 0.237E+01 0.209E-01 RMM: 2 -0.333214137214E+03 -0.20540E-01 -0.15602E-01 5020 0.886E-01 0.972E-01 RMM: 3 -0.333206854822E+03 0.72824E-02 -0.15965E-02 5854 0.256E-01 0.175E-01 RMM: 4 -0.333206540828E+03 0.31399E-03 -0.93981E-04 4906 0.655E-02 0.114E-01 RMM: 5 -0.333206477872E+03 0.62955E-04 -0.13592E-04 3827 0.319E-02 0.810E-02 RMM: 6 -0.333206442458E+03 0.35414E-04 -0.34474E-05 2858 0.175E-02 0.452E-02 RMM: 7 -0.333206445543E+03 -0.30845E-05 -0.20325E-05 2519 0.143E-02 4518 T= 6693. E= 0.67544692E+03 F= 0.62306254E+03 E0= 0.65180854E+03 EK= 0.54506E+02 SP= -.23E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333779975271E+03 -0.57353E+00 -0.15123E-01 8632 0.239E+01 0.196E-01 RMM: 2 -0.333800741002E+03 -0.20766E-01 -0.15848E-01 5079 0.876E-01 0.942E-01 RMM: 3 -0.333793422168E+03 0.73188E-02 -0.14764E-02 5760 0.249E-01 0.198E-01 RMM: 4 -0.333793075533E+03 0.34664E-03 -0.94166E-04 4745 0.681E-02 0.115E-01 RMM: 5 -0.333793015302E+03 0.60231E-04 -0.14716E-04 3863 0.331E-02 0.855E-02 RMM: 6 -0.333792971074E+03 0.44228E-04 -0.37011E-05 2914 0.183E-02 0.439E-02 RMM: 7 -0.333792973990E+03 -0.29160E-05 -0.18391E-05 2523 0.135E-02 4519 T= 6798. E= 0.67544182E+03 F= 0.62247602E+03 E0= 0.65122344E+03 EK= 0.55358E+02 SP= -.25E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334206469964E+03 -0.41350E+00 -0.15090E-01 8760 0.241E+01 0.199E-01 RMM: 2 -0.334224750235E+03 -0.18280E-01 -0.14605E-01 5228 0.824E-01 0.860E-01 RMM: 3 -0.334218260067E+03 0.64902E-02 -0.12180E-02 5816 0.235E-01 0.177E-01 RMM: 4 -0.334218016001E+03 0.24407E-03 -0.81563E-04 4827 0.610E-02 0.111E-01 RMM: 5 -0.334217953540E+03 0.62461E-04 -0.11722E-04 3775 0.298E-02 0.843E-02 RMM: 6 -0.334217913539E+03 0.40002E-04 -0.32969E-05 2862 0.174E-02 0.417E-02 RMM: 7 -0.334217916582E+03 -0.30431E-05 -0.21247E-05 2522 0.142E-02 4520 T= 6882. E= 0.67543722E+03 F= 0.62205107E+03 E0= 0.65079800E+03 EK= 0.56041E+02 SP= -.28E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334406326878E+03 -0.18841E+00 -0.15638E-01 8736 0.243E+01 0.193E-01 RMM: 2 -0.334426176925E+03 -0.19850E-01 -0.15364E-01 5109 0.853E-01 0.918E-01 RMM: 3 -0.334419072872E+03 0.71041E-02 -0.13506E-02 5879 0.239E-01 0.190E-01 RMM: 4 -0.334418744203E+03 0.32867E-03 -0.83764E-04 4743 0.653E-02 0.113E-01 RMM: 5 -0.334418680833E+03 0.63370E-04 -0.13564E-04 3840 0.322E-02 0.842E-02 RMM: 6 -0.334418638561E+03 0.42272E-04 -0.37182E-05 2955 0.184E-02 0.437E-02 RMM: 7 -0.334418641596E+03 -0.30350E-05 -0.20248E-05 2530 0.139E-02 4521 T= 6937. E= 0.67543399E+03 F= 0.62185035E+03 E0= 0.65059299E+03 EK= 0.56489E+02 SP= -.30E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334341686946E+03 0.76952E-01 -0.15582E-01 8600 0.244E+01 0.209E-01 RMM: 2 -0.334361494048E+03 -0.19807E-01 -0.15913E-01 5091 0.880E-01 0.892E-01 RMM: 3 -0.334354829135E+03 0.66649E-02 -0.14852E-02 5895 0.252E-01 0.173E-01 RMM: 4 -0.334354563413E+03 0.26572E-03 -0.87883E-04 4893 0.632E-02 0.116E-01 RMM: 5 -0.334354495723E+03 0.67689E-04 -0.12506E-04 3780 0.303E-02 0.871E-02 RMM: 6 -0.334354451769E+03 0.43954E-04 -0.35155E-05 2929 0.179E-02 0.403E-02 RMM: 7 -0.334354454596E+03 -0.28264E-05 -0.24286E-05 2537 0.151E-02 4522 T= 6957. E= 0.67543341E+03 F= 0.62191453E+03 E0= 0.65064900E+03 EK= 0.56657E+02 SP= -.32E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334006191877E+03 0.34826E+00 -0.15570E-01 8616 0.244E+01 0.195E-01 RMM: 2 -0.334025893392E+03 -0.19702E-01 -0.15556E-01 5124 0.866E-01 0.892E-01 RMM: 3 -0.334019012803E+03 0.68806E-02 -0.13494E-02 5999 0.235E-01 0.185E-01 RMM: 4 -0.334018691860E+03 0.32094E-03 -0.81470E-04 4762 0.662E-02 0.118E-01 RMM: 5 -0.334018614554E+03 0.77306E-04 -0.13290E-04 3823 0.309E-02 0.843E-02 RMM: 6 -0.334018573416E+03 0.41137E-04 -0.36137E-05 2963 0.183E-02 0.422E-02 RMM: 7 -0.334018575371E+03 -0.19551E-05 -0.20000E-05 2526 0.135E-02 4523 T= 6943. E= 0.67543549E+03 F= 0.62225041E+03 E0= 0.65097088E+03 EK= 0.56538E+02 SP= -.34E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333430188083E+03 0.58839E+00 -0.15422E-01 8576 0.243E+01 0.218E-01 RMM: 2 -0.333449303086E+03 -0.19115E-01 -0.15042E-01 5161 0.851E-01 0.924E-01 RMM: 3 -0.333442218419E+03 0.70847E-02 -0.13202E-02 5953 0.239E-01 0.163E-01 RMM: 4 -0.333442006846E+03 0.21157E-03 -0.82114E-04 4840 0.620E-02 0.131E-01 RMM: 5 -0.333441909300E+03 0.97546E-04 -0.12024E-04 3776 0.290E-02 0.849E-02 RMM: 6 -0.333441867369E+03 0.41931E-04 -0.34102E-05 2928 0.177E-02 0.399E-02 RMM: 7 -0.333441870343E+03 -0.29735E-05 -0.23152E-05 2534 0.147E-02 4524 T= 6897. E= 0.67544066E+03 F= 0.62282712E+03 E0= 0.65152765E+03 EK= 0.56163E+02 SP= -.36E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332681467659E+03 0.76040E+00 -0.14949E-01 8424 0.241E+01 0.205E-01 RMM: 2 -0.332700002455E+03 -0.18535E-01 -0.14514E-01 5214 0.831E-01 0.897E-01 RMM: 3 -0.332693302306E+03 0.67001E-02 -0.12665E-02 6033 0.220E-01 0.184E-01 RMM: 4 -0.332692994886E+03 0.30742E-03 -0.77506E-04 4700 0.647E-02 0.131E-01 RMM: 5 -0.332692895777E+03 0.99109E-04 -0.13087E-04 3805 0.300E-02 0.845E-02 RMM: 6 -0.332692854516E+03 0.41261E-04 -0.34587E-05 2956 0.181E-02 0.412E-02 RMM: 7 -0.332692856586E+03 -0.20708E-05 -0.19956E-05 2526 0.134E-02 4525 T= 6827. E= 0.67544774E+03 F= 0.62357613E+03 E0= 0.65225058E+03 EK= 0.55599E+02 SP= -.38E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331854858176E+03 0.83800E+00 -0.14371E-01 8504 0.240E+01 0.238E-01 RMM: 2 -0.331874956673E+03 -0.20098E-01 -0.13952E-01 5198 0.838E-01 0.109E+00 RMM: 3 -0.331866118359E+03 0.88383E-02 -0.13477E-02 5879 0.235E-01 0.200E-01 RMM: 4 -0.331865759932E+03 0.35843E-03 -0.91781E-04 4786 0.665E-02 0.120E-01 RMM: 5 -0.331865689060E+03 0.70872E-04 -0.13645E-04 3834 0.298E-02 0.893E-02 RMM: 6 -0.331865642282E+03 0.46778E-04 -0.36280E-05 2977 0.183E-02 0.411E-02 RMM: 7 -0.331865645466E+03 -0.31841E-05 -0.19847E-05 2518 0.136E-02 4526 T= 6747. E= 0.67545498E+03 F= 0.62440334E+03 E0= 0.65304617E+03 EK= 0.54942E+02 SP= -.39E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331051574509E+03 0.81407E+00 -0.13943E-01 8416 0.238E+01 0.217E-01 RMM: 2 -0.331070594456E+03 -0.19020E-01 -0.13448E-01 5117 0.834E-01 0.102E+00 RMM: 3 -0.331062802869E+03 0.77916E-02 -0.13520E-02 5861 0.230E-01 0.207E-01 RMM: 4 -0.331062406269E+03 0.39660E-03 -0.88891E-04 4746 0.667E-02 0.115E-01 RMM: 5 -0.331062332651E+03 0.73619E-04 -0.13421E-04 3832 0.299E-02 0.848E-02 RMM: 6 -0.331062290811E+03 0.41839E-04 -0.33905E-05 2923 0.178E-02 0.427E-02 RMM: 7 -0.331062292291E+03 -0.14790E-05 -0.20755E-05 2527 0.138E-02 4527 T= 6668. E= 0.67546179E+03 F= 0.62520670E+03 E0= 0.65381292E+03 EK= 0.54297E+02 SP= -.41E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330366953469E+03 0.69534E+00 -0.12790E-01 8296 0.236E+01 0.230E-01 RMM: 2 -0.330384802734E+03 -0.17849E-01 -0.11593E-01 5175 0.780E-01 0.110E+00 RMM: 3 -0.330376277808E+03 0.85249E-02 -0.11926E-02 5799 0.226E-01 0.200E-01 RMM: 4 -0.330375930343E+03 0.34746E-03 -0.87209E-04 4763 0.632E-02 0.106E-01 RMM: 5 -0.330375880301E+03 0.50042E-04 -0.12462E-04 3795 0.291E-02 0.886E-02 RMM: 6 -0.330375833016E+03 0.47285E-04 -0.34593E-05 2952 0.180E-02 0.411E-02 RMM: 7 -0.330375833677E+03 -0.66066E-06 -0.19274E-05 2523 0.135E-02 4528 T= 6601. E= 0.67546628E+03 F= 0.62589316E+03 E0= 0.65445927E+03 EK= 0.53759E+02 SP= -.42E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329861611711E+03 0.51422E+00 -0.12328E-01 8288 0.235E+01 0.198E-01 RMM: 2 -0.329876957657E+03 -0.15346E-01 -0.10352E-01 5103 0.740E-01 0.970E-01 RMM: 3 -0.329870156604E+03 0.68011E-02 -0.10494E-02 5769 0.210E-01 0.198E-01 RMM: 4 -0.329869828090E+03 0.32851E-03 -0.75539E-04 4720 0.600E-02 0.944E-02 RMM: 5 -0.329869776775E+03 0.51315E-04 -0.10521E-04 3721 0.267E-02 0.753E-02 RMM: 6 -0.329869744805E+03 0.31969E-04 -0.26277E-05 2687 0.159E-02 0.413E-02 RMM: 7 -0.329869743952E+03 0.85337E-06 -0.18957E-05 2523 0.132E-02 4529 T= 6557. E= 0.67546852E+03 F= 0.62639925E+03 E0= 0.65492392E+03 EK= 0.53393E+02 SP= -.44E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329564170537E+03 0.30557E+00 -0.11643E-01 8112 0.236E+01 0.197E-01 RMM: 2 -0.329577949025E+03 -0.13778E-01 -0.91503E-02 5150 0.699E-01 0.953E-01 RMM: 3 -0.329571488571E+03 0.64605E-02 -0.91400E-03 5737 0.201E-01 0.175E-01 RMM: 4 -0.329571253368E+03 0.23520E-03 -0.67681E-04 4737 0.553E-02 0.912E-02 RMM: 5 -0.329571212495E+03 0.40872E-04 -0.92408E-05 3643 0.255E-02 0.774E-02 RMM: 6 -0.329571177088E+03 0.35407E-04 -0.27233E-05 2759 0.162E-02 0.373E-02 RMM: 7 -0.329571176701E+03 0.38726E-06 -0.18088E-05 2515 0.130E-02 4530 T= 6537. E= 0.67546816E+03 F= 0.62669781E+03 E0= 0.65518166E+03 EK= 0.53230E+02 SP= -.45E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329463258325E+03 0.10792E+00 -0.11848E-01 7736 0.236E+01 0.189E-01 RMM: 2 -0.329476346316E+03 -0.13088E-01 -0.91062E-02 5091 0.708E-01 0.886E-01 RMM: 3 -0.329470798101E+03 0.55482E-02 -0.96039E-03 5788 0.197E-01 0.177E-01 RMM: 4 -0.329470524432E+03 0.27367E-03 -0.63556E-04 4679 0.560E-02 0.903E-02 RMM: 5 -0.329470475498E+03 0.48934E-04 -0.88315E-05 3625 0.249E-02 0.706E-02 RMM: 6 -0.329470448467E+03 0.27031E-04 -0.24263E-05 2601 0.154E-02 0.397E-02 RMM: 7 -0.329470447593E+03 0.87419E-06 -0.16381E-05 2502 0.122E-02 4531 T= 6540. E= 0.67546574E+03 F= 0.62679854E+03 E0= 0.65524413E+03 EK= 0.53260E+02 SP= -.46E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329523591707E+03 -0.53143E-01 -0.11798E-01 7584 0.238E+01 0.186E-01 RMM: 2 -0.329535195672E+03 -0.11604E-01 -0.83551E-02 5080 0.685E-01 0.829E-01 RMM: 3 -0.329530404635E+03 0.47910E-02 -0.89623E-03 5747 0.193E-01 0.149E-01 RMM: 4 -0.329530219821E+03 0.18481E-03 -0.57768E-04 4734 0.525E-02 0.986E-02 RMM: 5 -0.329530163008E+03 0.56813E-04 -0.80738E-05 3589 0.240E-02 0.717E-02 RMM: 6 -0.329530134574E+03 0.28434E-04 -0.25008E-05 2600 0.155E-02 0.378E-02 RMM: 7 -0.329530134102E+03 0.47260E-06 -0.21779E-05 2526 0.139E-02 4532 T= 6563. E= 0.67546237E+03 F= 0.62673886E+03 E0= 0.65515095E+03 EK= 0.53449E+02 SP= -.48E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329692980018E+03 -0.16285E+00 -0.12092E-01 7360 0.239E+01 0.198E-01 RMM: 2 -0.329706757426E+03 -0.13777E-01 -0.97730E-02 4969 0.751E-01 0.896E-01 RMM: 3 -0.329701219202E+03 0.55382E-02 -0.11257E-02 5764 0.209E-01 0.171E-01 RMM: 4 -0.329700934753E+03 0.28445E-03 -0.68914E-04 4676 0.597E-02 0.983E-02 RMM: 5 -0.329700878759E+03 0.55995E-04 -0.10258E-04 3722 0.266E-02 0.744E-02 RMM: 6 -0.329700847957E+03 0.30802E-04 -0.27931E-05 2669 0.163E-02 0.376E-02 RMM: 7 -0.329700848721E+03 -0.76485E-06 -0.17341E-05 2501 0.127E-02 4533 T= 6600. E= 0.67545943E+03 F= 0.62656814E+03 E0= 0.65495257E+03 EK= 0.53747E+02 SP= -.49E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329927710789E+03 -0.22686E+00 -0.12136E-01 7312 0.241E+01 0.178E-01 RMM: 2 -0.329937792237E+03 -0.10081E-01 -0.78790E-02 5159 0.675E-01 0.732E-01 RMM: 3 -0.329934112506E+03 0.36797E-02 -0.79924E-03 5818 0.179E-01 0.137E-01 RMM: 4 -0.329933958821E+03 0.15369E-03 -0.48454E-04 4621 0.499E-02 0.111E-01 RMM: 5 -0.329933881080E+03 0.77741E-04 -0.75650E-05 3509 0.241E-02 0.677E-02 RMM: 6 -0.329933857167E+03 0.23913E-04 -0.24223E-05 2577 0.152E-02 0.375E-02 RMM: 7 -0.329933854665E+03 0.25012E-05 -0.24138E-05 2546 0.143E-02 4534 T= 6644. E= 0.67545681E+03 F= 0.62633513E+03 E0= 0.65469953E+03 EK= 0.54105E+02 SP= -.50E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330178990266E+03 -0.24513E+00 -0.12089E-01 7360 0.242E+01 0.181E-01 RMM: 2 -0.330189694640E+03 -0.10704E-01 -0.81719E-02 5169 0.686E-01 0.763E-01 RMM: 3 -0.330185693704E+03 0.40009E-02 -0.82951E-03 5813 0.182E-01 0.154E-01 RMM: 4 -0.330185501339E+03 0.19236E-03 -0.53939E-04 4620 0.545E-02 0.110E-01 RMM: 5 -0.330185422437E+03 0.78903E-04 -0.87760E-05 3568 0.250E-02 0.709E-02 RMM: 6 -0.330185396094E+03 0.26342E-04 -0.24579E-05 2608 0.157E-02 0.382E-02 RMM: 7 -0.330185395356E+03 0.73806E-06 -0.18128E-05 2507 0.126E-02 4535 T= 6690. E= 0.67545527E+03 F= 0.62608359E+03 E0= 0.65443503E+03 EK= 0.54478E+02 SP= -.51E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330417199746E+03 -0.23180E+00 -0.11994E-01 7520 0.242E+01 0.160E-01 RMM: 2 -0.330427427863E+03 -0.10228E-01 -0.91074E-02 5137 0.713E-01 0.601E-01 RMM: 3 -0.330424828820E+03 0.25990E-02 -0.91773E-03 6026 0.185E-01 0.124E-01 RMM: 4 -0.330424672283E+03 0.15654E-03 -0.45135E-04 4518 0.503E-02 0.119E-01 RMM: 5 -0.330424574628E+03 0.97655E-04 -0.75414E-05 3444 0.255E-02 0.604E-02 RMM: 6 -0.330424559462E+03 0.15166E-04 -0.22299E-05 2542 0.143E-02 4536 T= 6733. E= 0.67545475E+03 F= 0.62584443E+03 E0= 0.65419058E+03 EK= 0.54833E+02 SP= -.52E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330626439052E+03 -0.20186E+00 -0.12063E-01 7760 0.243E+01 0.168E-01 RMM: 2 -0.330638761267E+03 -0.12322E-01 -0.96332E-02 5207 0.714E-01 0.761E-01 RMM: 3 -0.330634466293E+03 0.42950E-02 -0.92821E-03 5843 0.195E-01 0.148E-01 RMM: 4 -0.330634279281E+03 0.18701E-03 -0.53192E-04 4680 0.515E-02 0.100E-01 RMM: 5 -0.330634208916E+03 0.70364E-04 -0.71967E-05 3478 0.237E-02 0.614E-02 RMM: 6 -0.330634198110E+03 0.10806E-04 -0.21662E-05 2538 0.141E-02 4537 T= 6772. E= 0.67545503E+03 F= 0.62563479E+03 E0= 0.65398284E+03 EK= 0.55150E+02 SP= -.53E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330800179025E+03 -0.16597E+00 -0.11872E-01 7784 0.243E+01 0.241E-01 RMM: 2 -0.330821264553E+03 -0.21086E-01 -0.10555E-01 5166 0.756E-01 0.133E+00 RMM: 3 -0.330808642905E+03 0.12622E-01 -0.11574E-02 5471 0.243E-01 0.237E-01 RMM: 4 -0.330808253855E+03 0.38905E-03 -0.11003E-03 4724 0.714E-02 0.956E-02 RMM: 5 -0.330808205558E+03 0.48297E-04 -0.13313E-04 3907 0.288E-02 0.844E-02 RMM: 6 -0.330808169040E+03 0.36518E-04 -0.26927E-05 2654 0.160E-02 0.529E-02 RMM: 7 -0.330808170735E+03 -0.16955E-05 -0.24458E-05 2567 0.153E-02 4538 T= 6806. E= 0.67545556E+03 F= 0.62546082E+03 E0= 0.65381716E+03 EK= 0.55422E+02 SP= -.54E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330939525725E+03 -0.13136E+00 -0.12581E-01 8160 0.243E+01 0.251E-01 RMM: 2 -0.330960293356E+03 -0.20768E-01 -0.11874E-01 5094 0.790E-01 0.125E+00 RMM: 3 -0.330949014634E+03 0.11279E-01 -0.12434E-02 5511 0.247E-01 0.252E-01 RMM: 4 -0.330948594269E+03 0.42036E-03 -0.12447E-03 4756 0.774E-02 0.113E-01 RMM: 5 -0.330948552791E+03 0.41478E-04 -0.16361E-04 3881 0.322E-02 0.102E-01 RMM: 6 -0.330948485549E+03 0.67242E-04 -0.36782E-05 2963 0.188E-02 0.364E-02 RMM: 7 -0.330948486826E+03 -0.12774E-05 -0.18034E-05 2517 0.133E-02 4539 T= 6834. E= 0.67545653E+03 F= 0.62532050E+03 E0= 0.65368984E+03 EK= 0.55649E+02 SP= -.55E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331052967172E+03 -0.10448E+00 -0.13487E-01 8408 0.243E+01 0.203E-01 RMM: 2 -0.331072675288E+03 -0.19708E-01 -0.13586E-01 5066 0.830E-01 0.106E+00 RMM: 3 -0.331064327964E+03 0.83473E-02 -0.13680E-02 5857 0.236E-01 0.180E-01 RMM: 4 -0.331064022719E+03 0.30525E-03 -0.84106E-04 4747 0.649E-02 0.104E-01 RMM: 5 -0.331063953486E+03 0.69233E-04 -0.11704E-04 3775 0.277E-02 0.768E-02 RMM: 6 -0.331063924867E+03 0.28619E-04 -0.25376E-05 2579 0.153E-02 0.501E-02 RMM: 7 -0.331063920292E+03 0.45755E-05 -0.23750E-05 2564 0.148E-02 4540 T= 6857. E= 0.67545772E+03 F= 0.62520507E+03 E0= 0.65359086E+03 EK= 0.55837E+02 SP= -.56E+01 SK= 0.77E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331153689130E+03 -0.89764E-01 -0.13877E-01 8648 0.242E+01 0.188E-01 RMM: 2 -0.331171277096E+03 -0.17588E-01 -0.13884E-01 5053 0.827E-01 0.857E-01 RMM: 3 -0.331165403089E+03 0.58740E-02 -0.13841E-02 6029 0.231E-01 0.168E-01 RMM: 4 -0.331165094473E+03 0.30862E-03 -0.72493E-04 4740 0.609E-02 0.105E-01 RMM: 5 -0.331165029586E+03 0.64888E-04 -0.10512E-04 3668 0.272E-02 0.722E-02 RMM: 6 -0.331165004441E+03 0.25144E-04 -0.25095E-05 2587 0.153E-02 0.452E-02 RMM: 7 -0.331165004838E+03 -0.39655E-06 -0.20676E-05 2525 0.141E-02 4541 T= 6876. E= 0.67545813E+03 F= 0.62510398E+03 E0= 0.65350785E+03 EK= 0.55997E+02 SP= -.56E+01 SK= 0.46E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331243635852E+03 -0.78631E-01 -0.15730E-01 8656 0.242E+01 0.183E-01 RMM: 2 -0.331263366211E+03 -0.19730E-01 -0.16811E-01 5068 0.895E-01 0.794E-01 RMM: 3 -0.331257845810E+03 0.55204E-02 -0.15506E-02 6166 0.235E-01 0.162E-01 RMM: 4 -0.331257497591E+03 0.34822E-03 -0.75540E-04 4739 0.652E-02 0.126E-01 RMM: 5 -0.331257390843E+03 0.10675E-03 -0.11883E-04 3755 0.295E-02 0.715E-02 RMM: 6 -0.331257365828E+03 0.25014E-04 -0.26053E-05 2595 0.155E-02 0.417E-02 RMM: 7 -0.331257363134E+03 0.26941E-05 -0.18648E-05 2521 0.132E-02 4542 T= 6893. E= 0.67545787E+03 F= 0.62501163E+03 E0= 0.65343457E+03 EK= 0.56132E+02 SP= -.57E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331323580021E+03 -0.66214E-01 -0.16910E-01 8744 0.242E+01 0.175E-01 RMM: 2 -0.331343740715E+03 -0.20161E-01 -0.17956E-01 5032 0.926E-01 0.722E-01 RMM: 3 -0.331339065136E+03 0.46756E-02 -0.16982E-02 6291 0.241E-01 0.140E-01 RMM: 4 -0.331338670127E+03 0.39501E-03 -0.68595E-04 4776 0.622E-02 0.114E-01 RMM: 5 -0.331338587187E+03 0.82940E-04 -0.10265E-04 3722 0.289E-02 0.679E-02 RMM: 6 -0.331338568153E+03 0.19034E-04 -0.26445E-05 2573 0.155E-02 4543 T= 6906. E= 0.67545717E+03 F= 0.62493042E+03 E0= 0.65337079E+03 EK= 0.56239E+02 SP= -.57E+01 SK= 0.63E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331380309011E+03 -0.41722E-01 -0.17376E-01 8824 0.242E+01 0.204E-01 RMM: 2 -0.331405375134E+03 -0.25066E-01 -0.18661E-01 5073 0.933E-01 0.107E+00 RMM: 3 -0.331396120806E+03 0.92543E-02 -0.16998E-02 5895 0.258E-01 0.169E-01 RMM: 4 -0.331395746056E+03 0.37475E-03 -0.91012E-04 5121 0.637E-02 0.965E-02 RMM: 5 -0.331395681942E+03 0.64113E-04 -0.10695E-04 3964 0.284E-02 0.679E-02 RMM: 6 -0.331395669090E+03 0.12852E-04 -0.23753E-05 2543 0.142E-02 4544 T= 6914. E= 0.67545544E+03 F= 0.62487332E+03 E0= 0.65332848E+03 EK= 0.56305E+02 SP= -.57E+01 SK= 0.83E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.331389475058E+03 0.62069E-02 -0.16996E-01 8808 0.242E+01 0.324E-01 RMM: 2 -0.331427795623E+03 -0.38321E-01 -0.17131E-01 5097 0.897E-01 0.183E+00 RMM: 3 -0.331402977732E+03 0.24818E-01 -0.18204E-02 5440 0.306E-01 0.300E-01 RMM: 4 -0.331402263370E+03 0.71436E-03 -0.19005E-03 5029 0.898E-02 0.906E-02 RMM: 5 -0.331402243961E+03 0.19409E-04 -0.22430E-04 4240 0.326E-02 0.962E-02 RMM: 6 -0.331402188164E+03 0.55797E-04 -0.35467E-05 2858 0.183E-02 0.488E-02 RMM: 7 -0.331402197605E+03 -0.94412E-05 -0.24559E-05 2557 0.151E-02 4545 T= 6914. E= 0.67545311E+03 F= 0.62486679E+03 E0= 0.65333352E+03 EK= 0.56303E+02 SP= -.57E+01 SK= 0.38E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331309643566E+03 0.92545E-01 -0.17722E-01 8888 0.242E+01 0.244E-01 RMM: 2 -0.331335371557E+03 -0.25728E-01 -0.18022E-01 5052 0.915E-01 0.117E+00 RMM: 3 -0.331324660756E+03 0.10711E-01 -0.16690E-02 5567 0.274E-01 0.226E-01 RMM: 4 -0.331324284968E+03 0.37579E-03 -0.14343E-03 4930 0.816E-02 0.133E-01 RMM: 5 -0.331324211130E+03 0.73839E-04 -0.20093E-04 3906 0.347E-02 0.956E-02 RMM: 6 -0.331324151806E+03 0.59324E-04 -0.38887E-05 2998 0.185E-02 0.343E-02 RMM: 7 -0.331324157439E+03 -0.56332E-05 -0.21668E-05 2518 0.147E-02 4546 T= 6901. E= 0.67545081E+03 F= 0.62494483E+03 E0= 0.65341956E+03 EK= 0.56200E+02 SP= -.57E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331114164884E+03 0.20999E+00 -0.17259E-01 8920 0.243E+01 0.212E-01 RMM: 2 -0.331136268890E+03 -0.22104E-01 -0.16259E-01 5162 0.863E-01 0.103E+00 RMM: 3 -0.331127580278E+03 0.86886E-02 -0.13838E-02 5845 0.241E-01 0.220E-01 RMM: 4 -0.331127127464E+03 0.45281E-03 -0.93462E-04 4859 0.660E-02 0.814E-02 RMM: 5 -0.331127094448E+03 0.33016E-04 -0.12779E-04 3989 0.274E-02 0.845E-02 RMM: 6 -0.331127055287E+03 0.39161E-04 -0.28292E-05 2646 0.163E-02 0.453E-02 RMM: 7 -0.331127055599E+03 -0.31264E-06 -0.20401E-05 2524 0.139E-02 4547 T= 6872. E= 0.67544911E+03 F= 0.62514193E+03 E0= 0.65362058E+03 EK= 0.55962E+02 SP= -.57E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330772266616E+03 0.35479E+00 -0.16003E-01 8856 0.243E+01 0.162E-01 RMM: 2 -0.330789784119E+03 -0.17518E-01 -0.15151E-01 5249 0.830E-01 0.720E-01 RMM: 3 -0.330785220811E+03 0.45633E-02 -0.13250E-02 6084 0.218E-01 0.161E-01 RMM: 4 -0.330784882988E+03 0.33782E-03 -0.66369E-04 4785 0.564E-02 0.858E-02 RMM: 5 -0.330784831913E+03 0.51074E-04 -0.90295E-05 3603 0.253E-02 0.582E-02 RMM: 6 -0.330784819609E+03 0.12305E-04 -0.21917E-05 2549 0.140E-02 4548 T= 6823. E= 0.67544873E+03 F= 0.62548417E+03 E0= 0.65396459E+03 EK= 0.55565E+02 SP= -.56E+01 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330274307666E+03 0.51052E+00 -0.16945E-01 8456 0.242E+01 0.192E-01 RMM: 2 -0.330297254670E+03 -0.22947E-01 -0.17843E-01 4984 0.935E-01 0.956E-01 RMM: 3 -0.330289797819E+03 0.74569E-02 -0.17810E-02 5913 0.252E-01 0.182E-01 RMM: 4 -0.330289324901E+03 0.47292E-03 -0.89134E-04 5044 0.651E-02 0.896E-02 RMM: 5 -0.330289274246E+03 0.50655E-04 -0.10789E-04 4042 0.269E-02 0.686E-02 RMM: 6 -0.330289258870E+03 0.15376E-04 -0.22463E-05 2545 0.142E-02 4549 T= 6754. E= 0.67544982E+03 F= 0.62597973E+03 E0= 0.65446025E+03 EK= 0.55004E+02 SP= -.55E+01 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329643309768E+03 0.64596E+00 -0.14512E-01 8480 0.242E+01 0.284E-01 RMM: 2 -0.329672037872E+03 -0.28728E-01 -0.13336E-01 5009 0.824E-01 0.157E+00 RMM: 3 -0.329654040258E+03 0.17998E-01 -0.15531E-02 5450 0.279E-01 0.301E-01 RMM: 4 -0.329653345665E+03 0.69459E-03 -0.15371E-03 4916 0.800E-02 0.813E-02 RMM: 5 -0.329653318140E+03 0.27525E-04 -0.16759E-04 4467 0.286E-02 0.802E-02 RMM: 6 -0.329653288972E+03 0.29168E-04 -0.22102E-05 2563 0.138E-02 0.612E-02 RMM: 7 -0.329653304821E+03 -0.15849E-04 -0.38060E-05 2958 0.186E-02 4550 T= 6667. E= 0.67545167E+03 F= 0.62661568E+03 E0= 0.65509551E+03 EK= 0.54294E+02 SP= -.55E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328897275776E+03 0.75601E+00 -0.14141E-01 8080 0.241E+01 0.299E-01 RMM: 2 -0.328925289135E+03 -0.28013E-01 -0.14165E-01 4783 0.860E-01 0.151E+00 RMM: 3 -0.328908760865E+03 0.16528E-01 -0.17234E-02 5445 0.291E-01 0.313E-01 RMM: 4 -0.328908084774E+03 0.67609E-03 -0.18532E-03 5050 0.908E-02 0.120E-01 RMM: 5 -0.328908174276E+03 -0.89502E-04 -0.28814E-04 3916 0.390E-02 0.167E-01 RMM: 6 -0.328907990923E+03 0.18335E-03 -0.94753E-05 3641 0.281E-02 0.389E-02 RMM: 7 -0.328907989904E+03 0.10184E-05 -0.21357E-05 2580 0.137E-02 4551 T= 6566. E= 0.67545523E+03 F= 0.62736100E+03 E0= 0.65584194E+03 EK= 0.53471E+02 SP= -.54E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328087975388E+03 0.82002E+00 -0.13529E-01 7968 0.239E+01 0.244E-01 RMM: 2 -0.328111001841E+03 -0.23026E-01 -0.12427E-01 4876 0.807E-01 0.132E+00 RMM: 3 -0.328098355044E+03 0.12647E-01 -0.14459E-02 5522 0.255E-01 0.249E-01 RMM: 4 -0.328097840201E+03 0.51484E-03 -0.12196E-03 4853 0.721E-02 0.869E-02 RMM: 5 -0.328097799906E+03 0.40294E-04 -0.15338E-04 3960 0.306E-02 0.765E-02 RMM: 6 -0.328097761186E+03 0.38720E-04 -0.28957E-05 2683 0.157E-02 0.489E-02 RMM: 7 -0.328097762479E+03 -0.12932E-05 -0.23090E-05 2557 0.150E-02 4552 T= 6457. E= 0.67545959E+03 F= 0.62817123E+03 E0= 0.65665525E+03 EK= 0.52583E+02 SP= -.53E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327263859836E+03 0.83390E+00 -0.12939E-01 7888 0.237E+01 0.202E-01 RMM: 2 -0.327280451120E+03 -0.16591E-01 -0.11099E-01 4811 0.779E-01 0.998E-01 RMM: 3 -0.327273236794E+03 0.72143E-02 -0.12810E-02 5604 0.230E-01 0.169E-01 RMM: 4 -0.327272958574E+03 0.27822E-03 -0.89231E-04 5045 0.605E-02 0.800E-02 RMM: 5 -0.327272937231E+03 0.21343E-04 -0.10981E-04 3792 0.280E-02 0.746E-02 RMM: 6 -0.327272903078E+03 0.34152E-04 -0.26467E-05 2647 0.155E-02 0.341E-02 RMM: 7 -0.327272906920E+03 -0.38414E-05 -0.14458E-05 2501 0.122E-02 4553 T= 6347. E= 0.67546400E+03 F= 0.62899608E+03 E0= 0.65748672E+03 EK= 0.51683E+02 SP= -.52E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326476075013E+03 0.79683E+00 -0.12115E-01 7672 0.236E+01 0.174E-01 RMM: 2 -0.326489045465E+03 -0.12970E-01 -0.10058E-01 4853 0.734E-01 0.781E-01 RMM: 3 -0.326484673981E+03 0.43715E-02 -0.11503E-02 5870 0.202E-01 0.175E-01 RMM: 4 -0.326484338504E+03 0.33548E-03 -0.65578E-04 4690 0.584E-02 0.952E-02 RMM: 5 -0.326484288579E+03 0.49925E-04 -0.10521E-04 3709 0.276E-02 0.689E-02 RMM: 6 -0.326484257672E+03 0.30907E-04 -0.26780E-05 2666 0.157E-02 0.354E-02 RMM: 7 -0.326484257036E+03 0.63511E-06 -0.20820E-05 2514 0.139E-02 4554 T= 6241. E= 0.67546789E+03 F= 0.62978473E+03 E0= 0.65828701E+03 EK= 0.50826E+02 SP= -.52E+01 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325771080497E+03 0.71318E+00 -0.11293E-01 7720 0.234E+01 0.172E-01 RMM: 2 -0.325783083080E+03 -0.12003E-01 -0.84129E-02 4959 0.680E-01 0.835E-01 RMM: 3 -0.325778135098E+03 0.49480E-02 -0.94204E-03 5686 0.190E-01 0.148E-01 RMM: 4 -0.325777915332E+03 0.21977E-03 -0.59308E-04 4694 0.523E-02 0.832E-02 RMM: 5 -0.325777885473E+03 0.29858E-04 -0.84715E-05 3610 0.251E-02 0.643E-02 RMM: 6 -0.325777862190E+03 0.23284E-04 -0.24641E-05 2607 0.152E-02 0.352E-02 RMM: 7 -0.325777866796E+03 -0.46067E-05 -0.15586E-05 2493 0.123E-02 4555 T= 6147. E= 0.67547128E+03 F= 0.63049112E+03 E0= 0.65901011E+03 EK= 0.50061E+02 SP= -.51E+01 SK= 0.68E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325188098363E+03 0.58976E+00 -0.10907E-01 7664 0.233E+01 0.165E-01 RMM: 2 -0.325198414796E+03 -0.10316E-01 -0.80366E-02 4988 0.666E-01 0.721E-01 RMM: 3 -0.325194797578E+03 0.36172E-02 -0.87640E-03 5769 0.180E-01 0.157E-01 RMM: 4 -0.325194557885E+03 0.23969E-03 -0.54242E-04 4581 0.525E-02 0.885E-02 RMM: 5 -0.325194514727E+03 0.43158E-04 -0.83300E-05 3572 0.246E-02 0.630E-02 RMM: 6 -0.325194491424E+03 0.23303E-04 -0.22638E-05 2571 0.146E-02 0.326E-02 RMM: 7 -0.325194492307E+03 -0.88310E-06 -0.14204E-05 2483 0.117E-02 4556 T= 6070. E= 0.67547467E+03 F= 0.63107450E+03 E0= 0.65961570E+03 EK= 0.49432E+02 SP= -.50E+01 SK= 0.38E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324764101032E+03 0.43039E+00 -0.10914E-01 7656 0.232E+01 0.157E-01 RMM: 2 -0.324773855354E+03 -0.97543E-02 -0.72411E-02 5020 0.631E-01 0.731E-01 RMM: 3 -0.324770115865E+03 0.37395E-02 -0.78097E-03 5752 0.173E-01 0.139E-01 RMM: 4 -0.324769927925E+03 0.18794E-03 -0.47409E-04 4468 0.484E-02 0.861E-02 RMM: 5 -0.324769889039E+03 0.38886E-04 -0.71840E-05 3458 0.240E-02 0.607E-02 RMM: 6 -0.324769868566E+03 0.20473E-04 -0.22746E-05 2556 0.146E-02 0.345E-02 RMM: 7 -0.324769870563E+03 -0.19977E-05 -0.17311E-05 2497 0.127E-02 4557 T= 6014. E= 0.67547697E+03 F= 0.63149912E+03 E0= 0.66006792E+03 EK= 0.48977E+02 SP= -.50E+01 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324523201161E+03 0.24667E+00 -0.11140E-01 7560 0.231E+01 0.171E-01 RMM: 2 -0.324533298854E+03 -0.10098E-01 -0.77294E-02 4987 0.661E-01 0.738E-01 RMM: 3 -0.324529602828E+03 0.36960E-02 -0.87986E-03 5821 0.180E-01 0.150E-01 RMM: 4 -0.324529367966E+03 0.23486E-03 -0.53426E-04 4625 0.517E-02 0.928E-02 RMM: 5 -0.324529322366E+03 0.45600E-04 -0.82563E-05 3559 0.245E-02 0.645E-02 RMM: 6 -0.324529298591E+03 0.23775E-04 -0.22636E-05 2569 0.146E-02 0.335E-02 RMM: 7 -0.324529299578E+03 -0.98682E-06 -0.15074E-05 2488 0.121E-02 4558 T= 5983. E= 0.67547840E+03 F= 0.63173969E+03 E0= 0.66033992E+03 EK= 0.48723E+02 SP= -.50E+01 SK= 0.86E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.324480404761E+03 0.48894E-01 -0.11138E-01 7608 0.231E+01 0.160E-01 RMM: 2 -0.324490705021E+03 -0.10300E-01 -0.79693E-02 5000 0.665E-01 0.719E-01 RMM: 3 -0.324487107825E+03 0.35972E-02 -0.88629E-03 5900 0.177E-01 0.141E-01 RMM: 4 -0.324486880990E+03 0.22683E-03 -0.48916E-04 4492 0.504E-02 0.915E-02 RMM: 5 -0.324486834173E+03 0.46818E-04 -0.74560E-05 3482 0.244E-02 0.613E-02 RMM: 6 -0.324486813592E+03 0.20580E-04 -0.22208E-05 2552 0.144E-02 0.357E-02 RMM: 7 -0.324486815319E+03 -0.17264E-05 -0.17539E-05 2502 0.128E-02 4559 T= 5978. E= 0.67547851E+03 F= 0.63178217E+03 E0= 0.66041654E+03 EK= 0.48684E+02 SP= -.50E+01 SK= 0.36E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324634467745E+03 -0.14765E+00 -0.10855E-01 7584 0.231E+01 0.170E-01 RMM: 2 -0.324644896972E+03 -0.10429E-01 -0.82532E-02 4979 0.685E-01 0.724E-01 RMM: 3 -0.324641361390E+03 0.35356E-02 -0.93481E-03 5905 0.183E-01 0.141E-01 RMM: 4 -0.324641127904E+03 0.23349E-03 -0.52056E-04 4606 0.518E-02 0.997E-02 RMM: 5 -0.324641073906E+03 0.53999E-04 -0.82650E-05 3530 0.257E-02 0.633E-02 RMM: 6 -0.324641051826E+03 0.22080E-04 -0.23195E-05 2567 0.147E-02 0.350E-02 RMM: 7 -0.324641052616E+03 -0.79030E-06 -0.17965E-05 2500 0.132E-02 4560 T= 6000. E= 0.67547717E+03 F= 0.63162794E+03 E0= 0.66029648E+03 EK= 0.48858E+02 SP= -.50E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324966109873E+03 -0.32506E+00 -0.10715E-01 7624 0.232E+01 0.160E-01 RMM: 2 -0.324976383479E+03 -0.10274E-01 -0.82485E-02 4962 0.678E-01 0.696E-01 RMM: 3 -0.324973085023E+03 0.32985E-02 -0.92868E-03 5931 0.181E-01 0.131E-01 RMM: 4 -0.324972878168E+03 0.20686E-03 -0.49447E-04 4516 0.509E-02 0.102E-01 RMM: 5 -0.324972815729E+03 0.62440E-04 -0.77147E-05 3495 0.252E-02 0.583E-02 RMM: 6 -0.324972797832E+03 0.17896E-04 -0.21111E-05 2537 0.138E-02 4561 T= 6045. E= 0.67547488E+03 F= 0.63129619E+03 E0= 0.65999700E+03 EK= 0.49227E+02 SP= -.51E+01 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325438375832E+03 -0.46556E+00 -0.10726E-01 7608 0.233E+01 0.206E-01 RMM: 2 -0.325454673210E+03 -0.16297E-01 -0.84826E-02 5054 0.683E-01 0.116E+00 RMM: 3 -0.325445355947E+03 0.93173E-02 -0.96035E-03 5508 0.207E-01 0.211E-01 RMM: 4 -0.325444995839E+03 0.36011E-03 -0.79368E-04 4730 0.590E-02 0.751E-02 RMM: 5 -0.325444962626E+03 0.33213E-04 -0.97603E-05 3825 0.254E-02 0.655E-02 RMM: 6 -0.325444942741E+03 0.19885E-04 -0.21064E-05 2550 0.135E-02 4562 T= 6109. E= 0.67547163E+03 F= 0.63082405E+03 E0= 0.65955274E+03 EK= 0.49752E+02 SP= -.51E+01 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325997838135E+03 -0.55288E+00 -0.10665E-01 7528 0.234E+01 0.298E-01 RMM: 2 -0.326025537615E+03 -0.27699E-01 -0.87517E-02 5061 0.711E-01 0.176E+00 RMM: 3 -0.326004476459E+03 0.21061E-01 -0.12843E-02 5383 0.268E-01 0.273E-01 RMM: 4 -0.326003934178E+03 0.54228E-03 -0.14023E-03 4710 0.753E-02 0.787E-02 RMM: 5 -0.326003900336E+03 0.33842E-04 -0.14989E-04 4196 0.283E-02 0.765E-02 RMM: 6 -0.326003869272E+03 0.31065E-04 -0.27314E-05 2626 0.161E-02 0.471E-02 RMM: 7 -0.326003881961E+03 -0.12689E-04 -0.25718E-05 2587 0.154E-02 4563 T= 6186. E= 0.67546736E+03 F= 0.63026511E+03 E0= 0.65901614E+03 EK= 0.50377E+02 SP= -.52E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326576955140E+03 -0.57309E+00 -0.11094E-01 7528 0.236E+01 0.254E-01 RMM: 2 -0.326595369024E+03 -0.18414E-01 -0.94008E-02 4925 0.724E-01 0.125E+00 RMM: 3 -0.326584454926E+03 0.10914E-01 -0.11899E-02 5431 0.242E-01 0.267E-01 RMM: 4 -0.326583993165E+03 0.46176E-03 -0.12687E-03 4726 0.766E-02 0.111E-01 RMM: 5 -0.326584002297E+03 -0.91320E-05 -0.20070E-04 3883 0.358E-02 0.122E-01 RMM: 6 -0.326583904549E+03 0.97747E-04 -0.55874E-05 3283 0.222E-02 0.336E-02 RMM: 7 -0.326583902651E+03 0.18980E-05 -0.15468E-05 2507 0.121E-02 4564 T= 6267. E= 0.67546317E+03 F= 0.62968509E+03 E0= 0.65845149E+03 EK= 0.51036E+02 SP= -.53E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327110512640E+03 -0.52661E+00 -0.11089E-01 7752 0.237E+01 0.200E-01 RMM: 2 -0.327124327862E+03 -0.13815E-01 -0.86396E-02 5087 0.678E-01 0.986E-01 RMM: 3 -0.327117525358E+03 0.68025E-02 -0.95980E-03 5546 0.204E-01 0.151E-01 RMM: 4 -0.327117346334E+03 0.17902E-03 -0.71403E-04 4899 0.537E-02 0.912E-02 RMM: 5 -0.327117281051E+03 0.65283E-04 -0.82477E-05 3643 0.246E-02 0.656E-02 RMM: 6 -0.327117257386E+03 0.23665E-04 -0.22917E-05 2552 0.144E-02 0.405E-02 RMM: 7 -0.327117254460E+03 0.29260E-05 -0.18156E-05 2527 0.123E-02 4565 T= 6344. E= 0.67545905E+03 F= 0.62915173E+03 E0= 0.65792632E+03 EK= 0.51659E+02 SP= -.54E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327534711248E+03 -0.41745E+00 -0.11089E-01 7728 0.238E+01 0.180E-01 RMM: 2 -0.327547953393E+03 -0.13242E-01 -0.93174E-02 4911 0.705E-01 0.872E-01 RMM: 3 -0.327542655443E+03 0.52979E-02 -0.10710E-02 5735 0.200E-01 0.176E-01 RMM: 4 -0.327542333196E+03 0.32225E-03 -0.63720E-04 4799 0.544E-02 0.717E-02 RMM: 5 -0.327542312690E+03 0.20505E-04 -0.88872E-05 3629 0.255E-02 0.683E-02 RMM: 6 -0.327542286830E+03 0.25860E-04 -0.24088E-05 2578 0.150E-02 0.381E-02 RMM: 7 -0.327542290577E+03 -0.37465E-05 -0.15256E-05 2504 0.121E-02 4566 T= 6408. E= 0.67545545E+03 F= 0.62872670E+03 E0= 0.65750308E+03 EK= 0.52180E+02 SP= -.55E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327799485947E+03 -0.25720E+00 -0.12064E-01 7888 0.239E+01 0.170E-01 RMM: 2 -0.327812733850E+03 -0.13248E-01 -0.10850E-01 4886 0.759E-01 0.731E-01 RMM: 3 -0.327808773887E+03 0.39600E-02 -0.12269E-02 5876 0.205E-01 0.144E-01 RMM: 4 -0.327808523542E+03 0.25034E-03 -0.63444E-04 4726 0.565E-02 0.112E-01 RMM: 5 -0.327808442436E+03 0.81106E-04 -0.99333E-05 3649 0.271E-02 0.647E-02 RMM: 6 -0.327808418254E+03 0.24182E-04 -0.25597E-05 2570 0.152E-02 0.308E-02 RMM: 7 -0.327808417375E+03 0.87878E-06 -0.14162E-05 2491 0.118E-02 4567 T= 6453. E= 0.67545297E+03 F= 0.62846057E+03 E0= 0.65723322E+03 EK= 0.52548E+02 SP= -.56E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327872509989E+03 -0.64092E-01 -0.11893E-01 7752 0.239E+01 0.156E-01 RMM: 2 -0.327884066108E+03 -0.11556E-01 -0.94184E-02 4991 0.698E-01 0.694E-01 RMM: 3 -0.327880430101E+03 0.36360E-02 -0.10059E-02 5931 0.190E-01 0.121E-01 RMM: 4 -0.327880213033E+03 0.21707E-03 -0.48772E-04 4731 0.476E-02 0.834E-02 RMM: 5 -0.327880175605E+03 0.37428E-04 -0.67067E-05 3411 0.233E-02 0.654E-02 RMM: 6 -0.327880153471E+03 0.22134E-04 -0.24421E-05 2556 0.151E-02 0.411E-02 RMM: 7 -0.327880155499E+03 -0.20282E-05 -0.25866E-05 2601 0.145E-02 4568 T= 6475. E= 0.67545182E+03 F= 0.62838883E+03 E0= 0.65715330E+03 EK= 0.52725E+02 SP= -.57E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327736361187E+03 0.14379E+00 -0.11773E-01 7976 0.239E+01 0.167E-01 RMM: 2 -0.327748301602E+03 -0.11940E-01 -0.94703E-02 4936 0.702E-01 0.743E-01 RMM: 3 -0.327744265582E+03 0.40360E-02 -0.10125E-02 5917 0.193E-01 0.163E-01 RMM: 4 -0.327743981323E+03 0.28426E-03 -0.55659E-04 4674 0.526E-02 0.764E-02 RMM: 5 -0.327743948965E+03 0.32357E-04 -0.75686E-05 3571 0.235E-02 0.609E-02 RMM: 6 -0.327743929576E+03 0.19389E-04 -0.21317E-05 2547 0.141E-02 4569 T= 6471. E= 0.67545257E+03 F= 0.62852506E+03 E0= 0.65727859E+03 EK= 0.52697E+02 SP= -.58E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327403029711E+03 0.34092E+00 -0.12225E-01 7912 0.239E+01 0.144E-01 RMM: 2 -0.327415418474E+03 -0.12389E-01 -0.95068E-02 4989 0.694E-01 0.746E-01 RMM: 3 -0.327411124398E+03 0.42941E-02 -0.96742E-03 5820 0.190E-01 0.139E-01 RMM: 4 -0.327410904596E+03 0.21980E-03 -0.48191E-04 4601 0.481E-02 0.769E-02 RMM: 5 -0.327410859149E+03 0.45447E-04 -0.59166E-05 3282 0.224E-02 0.556E-02 RMM: 6 -0.327410852406E+03 0.67428E-05 -0.23299E-05 2532 0.145E-02 4570 T= 6444. E= 0.67545479E+03 F= 0.62885814E+03 E0= 0.65759825E+03 EK= 0.52474E+02 SP= -.59E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326908245128E+03 0.50261E+00 -0.11513E-01 7840 0.238E+01 0.284E-01 RMM: 2 -0.326933608962E+03 -0.25364E-01 -0.90146E-02 5082 0.708E-01 0.163E+00 RMM: 3 -0.326915197400E+03 0.18412E-01 -0.12121E-02 5391 0.259E-01 0.296E-01 RMM: 4 -0.326914552786E+03 0.64461E-03 -0.13511E-03 4763 0.750E-02 0.718E-02 RMM: 5 -0.326914542347E+03 0.10440E-04 -0.15139E-04 3962 0.294E-02 4571 T= 6397. E= 0.67545919E+03 F= 0.62935445E+03 E0= 0.65808024E+03 EK= 0.52092E+02 SP= -.60E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326304383423E+03 0.61017E+00 -0.11522E-01 7728 0.237E+01 0.218E-01 RMM: 2 -0.326323152329E+03 -0.18769E-01 -0.10615E-01 5026 0.745E-01 0.118E+00 RMM: 3 -0.326313366570E+03 0.97858E-02 -0.11926E-02 5472 0.234E-01 0.273E-01 RMM: 4 -0.326312819806E+03 0.54676E-03 -0.10819E-03 4799 0.683E-02 0.830E-02 RMM: 5 -0.326312786699E+03 0.33107E-04 -0.13636E-04 3930 0.289E-02 0.780E-02 RMM: 6 -0.326312752691E+03 0.34008E-04 -0.26051E-05 2589 0.150E-02 0.533E-02 RMM: 7 -0.326312760322E+03 -0.76313E-05 -0.26552E-05 2583 0.155E-02 4572 T= 6338. E= 0.67546492E+03 F= 0.62995623E+03 E0= 0.65866705E+03 EK= 0.51609E+02 SP= -.61E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325678640028E+03 0.63411E+00 -0.12360E-01 7712 0.236E+01 0.299E-01 RMM: 2 -0.325700929033E+03 -0.22289E-01 -0.11760E-01 4922 0.809E-01 0.139E+00 RMM: 3 -0.325687876532E+03 0.13053E-01 -0.14819E-02 5492 0.263E-01 0.273E-01 RMM: 4 -0.325687370382E+03 0.50615E-03 -0.14198E-03 4858 0.769E-02 0.123E-01 RMM: 5 -0.325687395932E+03 -0.25550E-04 -0.23320E-04 3907 0.369E-02 0.138E-01 RMM: 6 -0.325687268919E+03 0.12701E-03 -0.78567E-05 3498 0.255E-02 0.289E-02 RMM: 7 -0.325687269391E+03 -0.47187E-06 -0.15263E-05 2515 0.120E-02 4573 T= 6276. E= 0.67547169E+03 F= 0.63058172E+03 E0= 0.65927770E+03 EK= 0.51108E+02 SP= -.63E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325127824467E+03 0.55944E+00 -0.12113E-01 7816 0.234E+01 0.201E-01 RMM: 2 -0.325143595400E+03 -0.15771E-01 -0.11075E-01 5073 0.770E-01 0.949E-01 RMM: 3 -0.325137216378E+03 0.63790E-02 -0.12111E-02 5739 0.215E-01 0.182E-01 RMM: 4 -0.325136866186E+03 0.35019E-03 -0.77190E-04 4871 0.589E-02 0.987E-02 RMM: 5 -0.325136795902E+03 0.70283E-04 -0.10693E-04 3787 0.271E-02 0.672E-02 RMM: 6 -0.325136767123E+03 0.28780E-04 -0.24984E-05 2571 0.148E-02 0.467E-02 RMM: 7 -0.325136760489E+03 0.66339E-05 -0.24826E-05 2565 0.145E-02 4574 T= 6225. E= 0.67547900E+03 F= 0.63113223E+03 E0= 0.65981418E+03 EK= 0.50690E+02 SP= -.64E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324759120988E+03 0.37765E+00 -0.11712E-01 7880 0.233E+01 0.221E-01 RMM: 2 -0.324775047158E+03 -0.15926E-01 -0.10153E-01 4940 0.756E-01 0.105E+00 RMM: 3 -0.324767455243E+03 0.75919E-02 -0.11747E-02 5559 0.230E-01 0.206E-01 RMM: 4 -0.324767118170E+03 0.33707E-03 -0.93441E-04 5083 0.595E-02 0.730E-02 RMM: 5 -0.324767108022E+03 0.10149E-04 -0.11305E-04 3770 0.291E-02 4575 T= 6197. E= 0.67548628E+03 F= 0.63150188E+03 E0= 0.66017069E+03 EK= 0.50462E+02 SP= -.65E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324674188902E+03 0.92929E-01 -0.10849E-01 7672 0.232E+01 0.151E-01 RMM: 2 -0.324684413494E+03 -0.10225E-01 -0.81829E-02 5303 0.647E-01 0.678E-01 RMM: 3 -0.324681041831E+03 0.33717E-02 -0.73102E-03 5915 0.160E-01 0.143E-01 RMM: 4 -0.324680835973E+03 0.20586E-03 -0.40169E-04 4158 0.456E-02 0.103E-01 RMM: 5 -0.324680763663E+03 0.72310E-04 -0.63693E-05 3371 0.223E-02 0.696E-02 RMM: 6 -0.324680747085E+03 0.16578E-04 -0.24838E-05 2555 0.149E-02 4576 T= 6205. E= 0.67549200E+03 F= 0.63158824E+03 E0= 0.66024493E+03 EK= 0.50527E+02 SP= -.67E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324951393677E+03 -0.27063E+00 -0.11304E-01 7688 0.233E+01 0.331E-01 RMM: 2 -0.324984765771E+03 -0.33372E-01 -0.89650E-02 5047 0.723E-01 0.200E+00 RMM: 3 -0.324957908704E+03 0.26857E-01 -0.14252E-02 5374 0.289E-01 0.305E-01 RMM: 4 -0.324957260740E+03 0.64796E-03 -0.15605E-03 4752 0.784E-02 0.849E-02 RMM: 5 -0.324957287852E+03 -0.27112E-04 -0.20410E-04 3906 0.355E-02 0.112E-01 RMM: 6 -0.324957210061E+03 0.77792E-04 -0.46172E-05 3146 0.202E-02 0.441E-02 RMM: 7 -0.324957204875E+03 0.51860E-05 -0.17562E-05 2514 0.133E-02 4577 T= 6258. E= 0.67549437E+03 F= 0.63131178E+03 E0= 0.65995701E+03 EK= 0.50962E+02 SP= -.68E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325628166533E+03 -0.67096E+00 -0.11663E-01 7624 0.234E+01 0.353E-01 RMM: 2 -0.325664238944E+03 -0.36072E-01 -0.83742E-02 5221 0.710E-01 0.212E+00 RMM: 3 -0.325634027062E+03 0.30212E-01 -0.14095E-02 5365 0.293E-01 0.333E-01 RMM: 4 -0.325633257680E+03 0.76938E-03 -0.17701E-03 4759 0.885E-02 0.119E-01 RMM: 5 -0.325633282675E+03 -0.24995E-04 -0.25214E-04 3885 0.390E-02 0.139E-01 RMM: 6 -0.325633152925E+03 0.12975E-03 -0.72435E-05 3479 0.251E-02 0.429E-02 RMM: 7 -0.325633145003E+03 0.79218E-05 -0.17823E-05 2528 0.128E-02 4578 T= 6362. E= 0.67549335E+03 F= 0.63063584E+03 E0= 0.65927051E+03 EK= 0.51805E+02 SP= -.70E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326687207225E+03 -0.10541E+01 -0.12113E-01 7688 0.237E+01 0.258E-01 RMM: 2 -0.326705881889E+03 -0.18675E-01 -0.78242E-02 5133 0.673E-01 0.136E+00 RMM: 3 -0.326693193681E+03 0.12688E-01 -0.10205E-02 5398 0.235E-01 0.261E-01 RMM: 4 -0.326692717524E+03 0.47616E-03 -0.10220E-03 4754 0.643E-02 0.769E-02 RMM: 5 -0.326692700952E+03 0.16572E-04 -0.13492E-04 3858 0.307E-02 4579 T= 6513. E= 0.67548886E+03 F= 0.62957629E+03 E0= 0.65820040E+03 EK= 0.53036E+02 SP= -.72E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328056420300E+03 -0.13637E+01 -0.12843E-01 7856 0.241E+01 0.123E-01 RMM: 2 -0.328066237552E+03 -0.98173E-02 -0.83862E-02 5036 0.671E-01 0.563E-01 RMM: 3 -0.328063771931E+03 0.24656E-02 -0.85114E-03 5875 0.173E-01 0.131E-01 RMM: 4 -0.328063578938E+03 0.19299E-03 -0.39823E-04 4380 0.447E-02 0.833E-02 RMM: 5 -0.328063535250E+03 0.43688E-04 -0.51280E-05 3093 0.226E-02 0.631E-02 RMM: 6 -0.328063525262E+03 0.99877E-05 -0.23678E-05 2531 0.144E-02 4580 T= 6702. E= 0.67548076E+03 F= 0.62820546E+03 E0= 0.65681974E+03 EK= 0.54580E+02 SP= -.74E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329618013301E+03 -0.15545E+01 -0.13590E-01 7768 0.246E+01 0.308E-01 RMM: 2 -0.329646680510E+03 -0.28667E-01 -0.11391E-01 4936 0.805E-01 0.171E+00 RMM: 3 -0.329626999448E+03 0.19681E-01 -0.15493E-02 5401 0.284E-01 0.303E-01 RMM: 4 -0.329626333482E+03 0.66597E-03 -0.16007E-03 4902 0.815E-02 0.947E-02 RMM: 5 -0.329626342501E+03 -0.90184E-05 -0.22319E-04 3896 0.368E-02 0.111E-01 RMM: 6 -0.329626262982E+03 0.79519E-04 -0.54585E-05 3290 0.218E-02 0.417E-02 RMM: 7 -0.329626257578E+03 0.54038E-05 -0.16728E-05 2512 0.126E-02 4581 T= 6915. E= 0.67546988E+03 F= 0.62664273E+03 E0= 0.65524761E+03 EK= 0.56309E+02 SP= -.75E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331226421396E+03 -0.16002E+01 -0.13579E-01 7952 0.251E+01 0.329E-01 RMM: 2 -0.331257240509E+03 -0.30819E-01 -0.10423E-01 5097 0.789E-01 0.185E+00 RMM: 3 -0.331234407282E+03 0.22833E-01 -0.15242E-02 5387 0.292E-01 0.312E-01 RMM: 4 -0.331233762917E+03 0.64436E-03 -0.17094E-03 4841 0.843E-02 0.120E-01 RMM: 5 -0.331233707591E+03 0.55325E-04 -0.22894E-04 3885 0.382E-02 0.111E-01 RMM: 6 -0.331233624791E+03 0.82800E-04 -0.61770E-05 3371 0.233E-02 0.448E-02 RMM: 7 -0.331233621931E+03 0.28606E-05 -0.19307E-05 2524 0.133E-02 4582 T= 7131. E= 0.67545876E+03 F= 0.62503537E+03 E0= 0.65362924E+03 EK= 0.58072E+02 SP= -.77E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332722407441E+03 -0.14888E+01 -0.14616E-01 7848 0.256E+01 0.230E-01 RMM: 2 -0.332742754657E+03 -0.20347E-01 -0.13650E-01 4863 0.868E-01 0.112E+00 RMM: 3 -0.332733980156E+03 0.87745E-02 -0.15694E-02 5602 0.255E-01 0.238E-01 RMM: 4 -0.332733480065E+03 0.50009E-03 -0.11281E-03 5032 0.690E-02 0.881E-02 RMM: 5 -0.332733445911E+03 0.34155E-04 -0.14848E-04 3899 0.325E-02 0.789E-02 RMM: 6 -0.332733407339E+03 0.38571E-04 -0.32683E-05 2776 0.171E-02 0.450E-02 RMM: 7 -0.332733406199E+03 0.11406E-05 -0.25126E-05 2555 0.156E-02 4583 T= 7332. E= 0.67544860E+03 F= 0.62353558E+03 E0= 0.65211742E+03 EK= 0.59705E+02 SP= -.78E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333980547743E+03 -0.12471E+01 -0.14093E-01 7768 0.259E+01 0.210E-01 RMM: 2 -0.333995465368E+03 -0.14918E-01 -0.10269E-01 5097 0.752E-01 0.956E-01 RMM: 3 -0.333989028788E+03 0.64366E-02 -0.10926E-02 5723 0.210E-01 0.209E-01 RMM: 4 -0.333988690215E+03 0.33857E-03 -0.82785E-04 4666 0.645E-02 0.113E-01 RMM: 5 -0.333988603070E+03 0.87145E-04 -0.13493E-04 3871 0.307E-02 0.739E-02 RMM: 6 -0.333988573101E+03 0.29969E-04 -0.28831E-05 2742 0.164E-02 0.413E-02 RMM: 7 -0.333988567616E+03 0.54845E-05 -0.17958E-05 2505 0.131E-02 4584 T= 7499. E= 0.67544029E+03 F= 0.62228042E+03 E0= 0.65084599E+03 EK= 0.61064E+02 SP= -.79E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334882160416E+03 -0.89359E+00 -0.14241E-01 7920 0.262E+01 0.178E-01 RMM: 2 -0.334894765035E+03 -0.12605E-01 -0.96411E-02 5273 0.702E-01 0.803E-01 RMM: 3 -0.334890034491E+03 0.47305E-02 -0.86967E-03 5810 0.185E-01 0.194E-01 RMM: 4 -0.334889724710E+03 0.30978E-03 -0.58771E-04 4631 0.539E-02 0.898E-02 RMM: 5 -0.334889663102E+03 0.61608E-04 -0.91290E-05 3652 0.256E-02 0.643E-02 RMM: 6 -0.334889645562E+03 0.17541E-04 -0.22220E-05 2563 0.143E-02 4585 T= 7617. E= 0.67543515E+03 F= 0.62137934E+03 E0= 0.64992211E+03 EK= 0.62029E+02 SP= -.80E+01 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335355833902E+03 -0.46617E+00 -0.14475E-01 7960 0.263E+01 0.220E-01 RMM: 2 -0.335372814206E+03 -0.16980E-01 -0.94868E-02 5321 0.692E-01 0.116E+00 RMM: 3 -0.335363190004E+03 0.96242E-02 -0.87254E-03 5545 0.205E-01 0.223E-01 RMM: 4 -0.335362829124E+03 0.36088E-03 -0.82593E-04 4687 0.601E-02 0.845E-02 RMM: 5 -0.335362786897E+03 0.42227E-04 -0.97161E-05 3814 0.255E-02 0.707E-02 RMM: 6 -0.335362766315E+03 0.20582E-04 -0.22486E-05 2577 0.144E-02 0.565E-02 RMM: 7 -0.335362773472E+03 -0.71572E-05 -0.34686E-05 2782 0.174E-02 4586 T= 7677. E= 0.67543196E+03 F= 0.62090622E+03 E0= 0.64941829E+03 EK= 0.62519E+02 SP= -.80E+01 SK= 0.61E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.335358962017E+03 0.38043E-02 -0.14614E-01 7784 0.263E+01 0.243E-01 RMM: 2 -0.335375461005E+03 -0.16499E-01 -0.98169E-02 5259 0.717E-01 0.112E+00 RMM: 3 -0.335366507003E+03 0.89540E-02 -0.10010E-02 5510 0.222E-01 0.267E-01 RMM: 4 -0.335366066670E+03 0.44033E-03 -0.11230E-03 4671 0.739E-02 0.119E-01 RMM: 5 -0.335366062880E+03 0.37901E-05 -0.19944E-04 3879 0.362E-02 4587 T= 7674. E= 0.67543188E+03 F= 0.62090293E+03 E0= 0.64937319E+03 EK= 0.62489E+02 SP= -.80E+01 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334879690846E+03 0.48638E+00 -0.14695E-01 8056 0.262E+01 0.180E-01 RMM: 2 -0.334895870405E+03 -0.16180E-01 -0.10775E-01 5523 0.692E-01 0.979E-01 RMM: 3 -0.334888058434E+03 0.78120E-02 -0.80648E-03 5584 0.189E-01 0.171E-01 RMM: 4 -0.334887833666E+03 0.22477E-03 -0.63595E-04 4845 0.511E-02 0.929E-02 RMM: 5 -0.334887773746E+03 0.59920E-04 -0.71330E-05 3567 0.223E-02 0.684E-02 RMM: 6 -0.334887757909E+03 0.15837E-04 -0.25215E-05 2587 0.154E-02 4588 T= 7605. E= 0.67543444E+03 F= 0.62138123E+03 E0= 0.64980088E+03 EK= 0.61928E+02 SP= -.79E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333940338976E+03 0.94743E+00 -0.14833E-01 7792 0.259E+01 0.312E-01 RMM: 2 -0.333975393770E+03 -0.35055E-01 -0.10794E-01 5118 0.740E-01 0.195E+00 RMM: 3 -0.333948215159E+03 0.27179E-01 -0.14402E-02 5398 0.286E-01 0.265E-01 RMM: 4 -0.333947721633E+03 0.49353E-03 -0.15752E-03 4787 0.800E-02 0.958E-02 RMM: 5 -0.333947696079E+03 0.25554E-04 -0.17187E-04 3916 0.325E-02 0.878E-02 RMM: 6 -0.333947648522E+03 0.47557E-04 -0.34902E-05 2931 0.181E-02 0.395E-02 RMM: 7 -0.333947651534E+03 -0.30120E-05 -0.16252E-05 2509 0.130E-02 4589 T= 7473. E= 0.67543863E+03 F= 0.62232134E+03 E0= 0.65068195E+03 EK= 0.60858E+02 SP= -.78E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332588189590E+03 0.13595E+01 -0.14414E-01 8128 0.256E+01 0.329E-01 RMM: 2 -0.332623922411E+03 -0.35733E-01 -0.12023E-01 5101 0.781E-01 0.194E+00 RMM: 3 -0.332597227168E+03 0.26695E-01 -0.15820E-02 5409 0.296E-01 0.330E-01 RMM: 4 -0.332596459212E+03 0.76796E-03 -0.19160E-03 4971 0.931E-02 0.108E-01 RMM: 5 -0.332596471830E+03 -0.12618E-04 -0.24912E-04 3915 0.372E-02 0.127E-01 RMM: 6 -0.332596363493E+03 0.10834E-03 -0.64486E-05 3402 0.238E-02 0.388E-02 RMM: 7 -0.332596358250E+03 0.52427E-05 -0.15648E-05 2511 0.118E-02 4590 T= 7287. E= 0.67544565E+03 F= 0.62367263E+03 E0= 0.65196867E+03 EK= 0.59341E+02 SP= -.76E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330907390835E+03 0.16890E+01 -0.13580E-01 7976 0.251E+01 0.243E-01 RMM: 2 -0.330930241308E+03 -0.22850E-01 -0.11647E-01 5169 0.751E-01 0.136E+00 RMM: 3 -0.330916577515E+03 0.13664E-01 -0.12053E-02 5481 0.242E-01 0.222E-01 RMM: 4 -0.330916223724E+03 0.35379E-03 -0.11176E-03 4787 0.684E-02 0.107E-01 RMM: 5 -0.330916169257E+03 0.54467E-04 -0.13690E-04 3857 0.308E-02 0.799E-02 RMM: 6 -0.330916130134E+03 0.39123E-04 -0.29376E-05 2746 0.166E-02 0.437E-02 RMM: 7 -0.330916133009E+03 -0.28749E-05 -0.18843E-05 2518 0.134E-02 4591 T= 7057. E= 0.67545461E+03 F= 0.62535286E+03 E0= 0.65358326E+03 EK= 0.57469E+02 SP= -.74E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329009202989E+03 0.19069E+01 -0.12863E-01 8120 0.246E+01 0.220E-01 RMM: 2 -0.329027868956E+03 -0.18666E-01 -0.12138E-01 5080 0.780E-01 0.108E+00 RMM: 3 -0.329019076314E+03 0.87926E-02 -0.12494E-02 5747 0.232E-01 0.208E-01 RMM: 4 -0.329018704854E+03 0.37146E-03 -0.92275E-04 4744 0.654E-02 0.926E-02 RMM: 5 -0.329018666219E+03 0.38635E-04 -0.12161E-04 3802 0.287E-02 0.777E-02 RMM: 6 -0.329018631680E+03 0.34539E-04 -0.28484E-05 2733 0.165E-02 0.373E-02 RMM: 7 -0.329018632750E+03 -0.10703E-05 -0.14095E-05 2492 0.120E-02 4592 T= 6799. E= 0.67546542E+03 F= 0.62725036E+03 E0= 0.65541752E+03 EK= 0.55365E+02 SP= -.72E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327031223127E+03 0.19874E+01 -0.12261E-01 7944 0.241E+01 0.172E-01 RMM: 2 -0.327047532578E+03 -0.16309E-01 -0.13712E-01 5058 0.831E-01 0.748E-01 RMM: 3 -0.327042995033E+03 0.45375E-02 -0.13974E-02 6083 0.218E-01 0.142E-01 RMM: 4 -0.327042717907E+03 0.27713E-03 -0.64469E-04 4697 0.592E-02 0.131E-01 RMM: 5 -0.327042604767E+03 0.11314E-03 -0.99505E-05 3651 0.287E-02 0.647E-02 RMM: 6 -0.327042586383E+03 0.18384E-04 -0.23973E-05 2555 0.146E-02 4593 T= 6530. E= 0.67547781E+03 F= 0.62922640E+03 E0= 0.65733801E+03 EK= 0.53181E+02 SP= -.70E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325136578077E+03 0.19060E+01 -0.11867E-01 7752 0.236E+01 0.216E-01 RMM: 2 -0.325157341462E+03 -0.20763E-01 -0.14250E-01 5004 0.861E-01 0.108E+00 RMM: 3 -0.325148753211E+03 0.85883E-02 -0.15724E-02 5772 0.247E-01 0.210E-01 RMM: 4 -0.325148288916E+03 0.46429E-03 -0.95439E-04 4987 0.648E-02 0.909E-02 RMM: 5 -0.325148243186E+03 0.45730E-04 -0.10469E-04 3921 0.263E-02 0.791E-02 RMM: 6 -0.325148224442E+03 0.18744E-04 -0.21976E-05 2540 0.141E-02 4594 T= 6273. E= 0.67549056E+03 F= 0.63112076E+03 E0= 0.65918773E+03 EK= 0.51086E+02 SP= -.68E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323492276023E+03 0.16560E+01 -0.10536E-01 7632 0.231E+01 0.376E-01 RMM: 2 -0.323533685903E+03 -0.41410E-01 -0.13754E-01 4972 0.884E-01 0.210E+00 RMM: 3 -0.323503143096E+03 0.30543E-01 -0.20932E-02 5403 0.338E-01 0.343E-01 RMM: 4 -0.323502288232E+03 0.85486E-03 -0.22808E-03 5103 0.940E-02 0.105E-01 RMM: 5 -0.323502248593E+03 0.39639E-04 -0.22998E-04 4012 0.331E-02 0.102E-01 RMM: 6 -0.323502192178E+03 0.56415E-04 -0.36640E-05 2936 0.182E-02 0.602E-02 RMM: 7 -0.323502198531E+03 -0.63532E-05 -0.27683E-05 2608 0.160E-02 4595 T= 6048. E= 0.67550212E+03 F= 0.63276679E+03 E0= 0.66080265E+03 EK= 0.49254E+02 SP= -.66E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322248867148E+03 0.12533E+01 -0.94828E-02 7552 0.227E+01 0.355E-01 RMM: 2 -0.322283319686E+03 -0.34453E-01 -0.11747E-01 5038 0.811E-01 0.191E+00 RMM: 3 -0.322257896468E+03 0.25423E-01 -0.17325E-02 5379 0.313E-01 0.343E-01 RMM: 4 -0.322257139039E+03 0.75743E-03 -0.22068E-03 5023 0.977E-02 0.136E-01 RMM: 5 -0.322257207164E+03 -0.68125E-04 -0.32607E-04 3903 0.422E-02 0.174E-01 RMM: 6 -0.322257000381E+03 0.20678E-03 -0.11178E-04 3774 0.301E-02 0.381E-02 RMM: 7 -0.322256999165E+03 0.12160E-05 -0.21081E-05 2566 0.136E-02 4596 T= 5875. E= 0.67551169E+03 F= 0.63401199E+03 E0= 0.66203358E+03 EK= 0.47844E+02 SP= -.64E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321520653726E+03 0.73635E+00 -0.95736E-02 7552 0.224E+01 0.260E-01 RMM: 2 -0.321545855237E+03 -0.25202E-01 -0.12531E-01 4906 0.838E-01 0.145E+00 RMM: 3 -0.321531144992E+03 0.14710E-01 -0.15307E-02 5515 0.268E-01 0.235E-01 RMM: 4 -0.321530731106E+03 0.41389E-03 -0.13086E-03 4891 0.718E-02 0.914E-02 RMM: 5 -0.321530678315E+03 0.52791E-04 -0.15365E-04 3908 0.317E-02 0.817E-02 RMM: 6 -0.321530639370E+03 0.38945E-04 -0.32950E-05 2847 0.170E-02 0.490E-02 RMM: 7 -0.321530638416E+03 0.95357E-06 -0.20246E-05 2529 0.142E-02 4597 T= 5768. E= 0.67551695E+03 F= 0.63473835E+03 E0= 0.66276461E+03 EK= 0.46973E+02 SP= -.62E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321375572355E+03 0.15507E+00 -0.91190E-02 7608 0.222E+01 0.185E-01 RMM: 2 -0.321388872990E+03 -0.13301E-01 -0.95320E-02 4960 0.732E-01 0.857E-01 RMM: 3 -0.321383732150E+03 0.51408E-02 -0.10717E-02 5706 0.209E-01 0.158E-01 RMM: 4 -0.321383489525E+03 0.24263E-03 -0.66824E-04 4944 0.541E-02 0.815E-02 RMM: 5 -0.321383455137E+03 0.34388E-04 -0.84708E-05 3654 0.244E-02 0.666E-02 RMM: 6 -0.321383433457E+03 0.21680E-04 -0.22725E-05 2568 0.144E-02 0.418E-02 RMM: 7 -0.321383440789E+03 -0.73317E-05 -0.21398E-05 2538 0.143E-02 4598 T= 5735. E= 0.67551694E+03 F= 0.63488555E+03 E0= 0.66293281E+03 EK= 0.46703E+02 SP= -.61E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321795796687E+03 -0.41236E+00 -0.97165E-02 7632 0.223E+01 0.191E-01 RMM: 2 -0.321810642730E+03 -0.14846E-01 -0.11923E-01 4848 0.821E-01 0.800E-01 RMM: 3 -0.321806195925E+03 0.44468E-02 -0.14042E-02 5890 0.223E-01 0.139E-01 RMM: 4 -0.321805934038E+03 0.26189E-03 -0.73483E-04 4826 0.609E-02 0.122E-01 RMM: 5 -0.321805848554E+03 0.85484E-04 -0.10997E-04 3752 0.267E-02 0.754E-02 RMM: 6 -0.321805814334E+03 0.34220E-04 -0.29800E-05 2754 0.167E-02 0.339E-02 RMM: 7 -0.321805815288E+03 -0.95350E-06 -0.17134E-05 2507 0.130E-02 4599 T= 5774. E= 0.67551207E+03 F= 0.63446317E+03 E0= 0.66254840E+03 EK= 0.47024E+02 SP= -.60E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322711943413E+03 -0.90613E+00 -0.96486E-02 7920 0.224E+01 0.178E-01 RMM: 2 -0.322726080835E+03 -0.14137E-01 -0.11265E-01 5018 0.777E-01 0.784E-01 RMM: 3 -0.322721726583E+03 0.43543E-02 -0.12546E-02 5943 0.210E-01 0.149E-01 RMM: 4 -0.322721431208E+03 0.29537E-03 -0.64160E-04 4767 0.572E-02 0.104E-01 RMM: 5 -0.322721370299E+03 0.60909E-04 -0.95694E-05 3662 0.258E-02 0.704E-02 RMM: 6 -0.322721348101E+03 0.22198E-04 -0.23847E-05 2558 0.149E-02 0.465E-02 RMM: 7 -0.322721348348E+03 -0.24671E-06 -0.20751E-05 2545 0.137E-02 4600 T= 5877. E= 0.67550400E+03 F= 0.63354764E+03 E0= 0.66168280E+03 EK= 0.47859E+02 SP= -.59E+01 SK= 0.97E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323997440977E+03 -0.12761E+01 -0.10577E-01 8240 0.227E+01 0.174E-01 RMM: 2 -0.324012024859E+03 -0.14584E-01 -0.12346E-01 5012 0.795E-01 0.717E-01 RMM: 3 -0.324008209001E+03 0.38159E-02 -0.13640E-02 6051 0.216E-01 0.147E-01 RMM: 4 -0.324007910331E+03 0.29867E-03 -0.65680E-04 4772 0.585E-02 0.115E-01 RMM: 5 -0.324007830130E+03 0.80201E-04 -0.10057E-04 3645 0.265E-02 0.672E-02 RMM: 6 -0.324007812130E+03 0.18001E-04 -0.22742E-05 2548 0.145E-02 4601 T= 6027. E= 0.67549393E+03 F= 0.63226118E+03 E0= 0.66045472E+03 EK= 0.49082E+02 SP= -.59E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325507411657E+03 -0.14996E+01 -0.11542E-01 8592 0.231E+01 0.180E-01 RMM: 2 -0.325524150896E+03 -0.16739E-01 -0.13002E-01 5233 0.788E-01 0.851E-01 RMM: 3 -0.325518647237E+03 0.55037E-02 -0.12884E-02 5801 0.220E-01 0.190E-01 RMM: 4 -0.325518327155E+03 0.32008E-03 -0.78986E-04 4848 0.593E-02 0.104E-01 RMM: 5 -0.325518264817E+03 0.62338E-04 -0.10025E-04 3798 0.245E-02 0.800E-02 RMM: 6 -0.325518248873E+03 0.15944E-04 -0.20827E-05 2538 0.138E-02 4602 T= 6207. E= 0.67548339E+03 F= 0.63075074E+03 E0= 0.65900525E+03 EK= 0.50545E+02 SP= -.58E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327091551620E+03 -0.15733E+01 -0.13035E-01 8608 0.235E+01 0.320E-01 RMM: 2 -0.327129812068E+03 -0.38260E-01 -0.14862E-01 5112 0.870E-01 0.191E+00 RMM: 3 -0.327103683339E+03 0.26129E-01 -0.18996E-02 5439 0.308E-01 0.287E-01 RMM: 4 -0.327103054513E+03 0.62883E-03 -0.19827E-03 4987 0.878E-02 0.103E-01 RMM: 5 -0.327103000078E+03 0.54435E-04 -0.21640E-04 4561 0.313E-02 0.856E-02 RMM: 6 -0.327102974221E+03 0.25857E-04 -0.27093E-05 2585 0.158E-02 0.703E-02 RMM: 7 -0.327102989196E+03 -0.14975E-04 -0.38901E-05 2949 0.183E-02 4603 T= 6397. E= 0.67547342E+03 F= 0.62916600E+03 E0= 0.65748095E+03 EK= 0.52092E+02 SP= -.58E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328616521275E+03 -0.15135E+01 -0.14137E-01 8832 0.239E+01 0.264E-01 RMM: 2 -0.328640672684E+03 -0.24151E-01 -0.15437E-01 5064 0.855E-01 0.122E+00 RMM: 3 -0.328629370336E+03 0.11302E-01 -0.16908E-02 5492 0.276E-01 0.271E-01 RMM: 4 -0.328628963936E+03 0.40640E-03 -0.17918E-03 4949 0.922E-02 0.164E-01 RMM: 5 -0.328628858807E+03 0.10513E-03 -0.29802E-04 3917 0.425E-02 0.118E-01 RMM: 6 -0.328628770910E+03 0.87897E-04 -0.74128E-05 3476 0.245E-02 0.413E-02 RMM: 7 -0.328628779502E+03 -0.85915E-05 -0.22642E-05 2569 0.141E-02 4604 T= 6580. E= 0.67546569E+03 F= 0.62764021E+03 E0= 0.65601066E+03 EK= 0.53586E+02 SP= -.58E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329978830231E+03 -0.13501E+01 -0.15682E-01 8832 0.242E+01 0.211E-01 RMM: 2 -0.330002149659E+03 -0.23319E-01 -0.17183E-01 5152 0.884E-01 0.105E+00 RMM: 3 -0.329993415810E+03 0.87338E-02 -0.16357E-02 5770 0.253E-01 0.178E-01 RMM: 4 -0.329993101622E+03 0.31419E-03 -0.10480E-03 4910 0.675E-02 0.132E-01 RMM: 5 -0.329992987634E+03 0.11399E-03 -0.14795E-04 3874 0.320E-02 0.758E-02 RMM: 6 -0.329992962831E+03 0.24802E-04 -0.31294E-05 2629 0.164E-02 0.574E-02 RMM: 7 -0.329992956392E+03 0.64393E-05 -0.29138E-05 2644 0.152E-02 4605 T= 6744. E= 0.67546007E+03 F= 0.62627603E+03 E0= 0.65469279E+03 EK= 0.54916E+02 SP= -.57E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331110236491E+03 -0.11173E+01 -0.17375E-01 8704 0.244E+01 0.194E-01 RMM: 2 -0.331134039658E+03 -0.23803E-01 -0.18775E-01 5136 0.939E-01 0.955E-01 RMM: 3 -0.331126469156E+03 0.75705E-02 -0.17127E-02 5913 0.256E-01 0.167E-01 RMM: 4 -0.331126098538E+03 0.37062E-03 -0.91840E-04 4914 0.651E-02 0.102E-01 RMM: 5 -0.331126037609E+03 0.60930E-04 -0.12738E-04 3860 0.302E-02 0.716E-02 RMM: 6 -0.331126016692E+03 0.20917E-04 -0.28622E-05 2601 0.160E-02 0.523E-02 RMM: 7 -0.331126023603E+03 -0.69112E-05 -0.28031E-05 2634 0.152E-02 4606 T= 6878. E= 0.67545611E+03 F= 0.62514297E+03 E0= 0.65359824E+03 EK= 0.56007E+02 SP= -.57E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331978431475E+03 -0.85241E+00 -0.17440E-01 8944 0.246E+01 0.175E-01 RMM: 2 -0.331998188918E+03 -0.19757E-01 -0.17549E-01 5410 0.880E-01 0.704E-01 RMM: 3 -0.331993212644E+03 0.49763E-02 -0.12625E-02 5881 0.228E-01 0.157E-01 RMM: 4 -0.331993045886E+03 0.16676E-03 -0.78929E-04 4767 0.635E-02 0.153E-01 RMM: 5 -0.331992882837E+03 0.16305E-03 -0.14033E-04 3860 0.332E-02 0.639E-02 RMM: 6 -0.331992863434E+03 0.19403E-04 -0.31760E-05 2775 0.167E-02 4607 T= 6977. E= 0.67545436E+03 F= 0.62427613E+03 E0= 0.65275975E+03 EK= 0.56817E+02 SP= -.56E+01 SK= 0.73E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332573764426E+03 -0.58088E+00 -0.18052E-01 8880 0.247E+01 0.222E-01 RMM: 2 -0.332598806502E+03 -0.25042E-01 -0.18653E-01 5122 0.936E-01 0.108E+00 RMM: 3 -0.332589577687E+03 0.92288E-02 -0.16581E-02 5756 0.266E-01 0.211E-01 RMM: 4 -0.332589151561E+03 0.42613E-03 -0.10825E-03 4962 0.690E-02 0.941E-02 RMM: 5 -0.332589098030E+03 0.53531E-04 -0.13209E-04 4222 0.292E-02 0.808E-02 RMM: 6 -0.332589071744E+03 0.26286E-04 -0.32032E-05 2679 0.170E-02 0.642E-02 RMM: 7 -0.332589099143E+03 -0.27398E-04 -0.73776E-05 3693 0.223E-02 0.102E-01 RMM: 8 -0.332589030812E+03 0.68330E-04 -0.81260E-05 3831 0.190E-02 0.387E-02 RMM: 9 -0.332589025504E+03 0.53081E-05 -0.18080E-05 2545 0.120E-02 4608 T= 7041. E= 0.67545427E+03 F= 0.62367996E+03 E0= 0.65218355E+03 EK= 0.57338E+02 SP= -.56E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332913494812E+03 -0.32446E+00 -0.17438E-01 8688 0.248E+01 0.234E-01 RMM: 2 -0.332935858388E+03 -0.22364E-01 -0.17469E-01 5199 0.897E-01 0.976E-01 RMM: 3 -0.332927750730E+03 0.81077E-02 -0.14674E-02 5880 0.242E-01 0.178E-01 RMM: 4 -0.332927614596E+03 0.13613E-03 -0.12066E-03 4881 0.818E-02 0.200E-01 RMM: 5 -0.332927365645E+03 0.24895E-03 -0.24014E-04 3904 0.391E-02 0.859E-02 RMM: 6 -0.332927320942E+03 0.44703E-04 -0.40860E-05 3040 0.197E-02 0.297E-02 RMM: 7 -0.332927328177E+03 -0.72351E-05 -0.20448E-05 2517 0.134E-02 4609 T= 7071. E= 0.67545475E+03 F= 0.62334166E+03 E0= 0.65185684E+03 EK= 0.57579E+02 SP= -.55E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333013927508E+03 -0.86607E-01 -0.16855E-01 8680 0.249E+01 0.188E-01 RMM: 2 -0.333033680270E+03 -0.19753E-01 -0.16660E-01 5273 0.883E-01 0.826E-01 RMM: 3 -0.333027949261E+03 0.57310E-02 -0.13897E-02 6149 0.227E-01 0.187E-01 RMM: 4 -0.333027549658E+03 0.39960E-03 -0.70545E-04 4832 0.587E-02 0.868E-02 RMM: 5 -0.333027494310E+03 0.55348E-04 -0.91872E-05 3890 0.245E-02 0.690E-02 RMM: 6 -0.333027478555E+03 0.15755E-04 -0.26443E-05 2572 0.155E-02 4610 T= 7068. E= 0.67545566E+03 F= 0.62324151E+03 E0= 0.65176103E+03 EK= 0.57558E+02 SP= -.54E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332898825862E+03 0.12867E+00 -0.16188E-01 8632 0.249E+01 0.303E-01 RMM: 2 -0.332930219363E+03 -0.31394E-01 -0.16084E-01 5133 0.897E-01 0.161E+00 RMM: 3 -0.332911852538E+03 0.18367E-01 -0.17233E-02 5478 0.287E-01 0.271E-01 RMM: 4 -0.332911268321E+03 0.58422E-03 -0.15585E-03 4895 0.800E-02 0.992E-02 RMM: 5 -0.332911226831E+03 0.41490E-04 -0.17815E-04 4010 0.323E-02 0.909E-02 RMM: 6 -0.332911183735E+03 0.43096E-04 -0.35822E-05 2893 0.179E-02 0.577E-02 RMM: 7 -0.332911197988E+03 -0.14253E-04 -0.35740E-05 2927 0.180E-02 4611 T= 7036. E= 0.67545641E+03 F= 0.62335779E+03 E0= 0.65187622E+03 EK= 0.57297E+02 SP= -.52E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332588636227E+03 0.32255E+00 -0.15273E-01 8544 0.249E+01 0.306E-01 RMM: 2 -0.332615993265E+03 -0.27357E-01 -0.14921E-01 5184 0.855E-01 0.146E+00 RMM: 3 -0.332600631401E+03 0.15362E-01 -0.15960E-02 5450 0.282E-01 0.344E-01 RMM: 4 -0.332599807702E+03 0.82370E-03 -0.18038E-03 4900 0.909E-02 0.116E-01 RMM: 5 -0.332599852949E+03 -0.45248E-04 -0.26476E-04 3896 0.394E-02 0.147E-01 RMM: 6 -0.332599706248E+03 0.14670E-03 -0.74690E-05 3511 0.248E-02 0.368E-02 RMM: 7 -0.332599709350E+03 -0.31019E-05 -0.21052E-05 2549 0.139E-02 4612 T= 6978. E= 0.67545849E+03 F= 0.62366928E+03 E0= 0.65218169E+03 EK= 0.56821E+02 SP= -.51E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332111013186E+03 0.48869E+00 -0.14876E-01 8472 0.249E+01 0.311E-01 RMM: 2 -0.332141844461E+03 -0.30831E-01 -0.15274E-01 5124 0.887E-01 0.165E+00 RMM: 3 -0.332123225979E+03 0.18618E-01 -0.17324E-02 5536 0.288E-01 0.275E-01 RMM: 4 -0.332122638985E+03 0.58699E-03 -0.15703E-03 4923 0.791E-02 0.101E-01 RMM: 5 -0.332122602714E+03 0.36271E-04 -0.19077E-04 3892 0.354E-02 0.996E-02 RMM: 6 -0.332122542066E+03 0.60648E-04 -0.48956E-05 3129 0.205E-02 0.499E-02 RMM: 7 -0.332122551157E+03 -0.90904E-05 -0.27640E-05 2577 0.161E-02 4613 T= 6897. E= 0.67546145E+03 F= 0.62414644E+03 E0= 0.65264897E+03 EK= 0.56163E+02 SP= -.49E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331509401893E+03 0.61314E+00 -0.14484E-01 8344 0.247E+01 0.222E-01 RMM: 2 -0.331528891973E+03 -0.19490E-01 -0.14709E-01 5046 0.853E-01 0.959E-01 RMM: 3 -0.331521833173E+03 0.70588E-02 -0.15147E-02 5759 0.246E-01 0.193E-01 RMM: 4 -0.331521461821E+03 0.37135E-03 -0.97329E-04 4949 0.652E-02 0.105E-01 RMM: 5 -0.331521413430E+03 0.48391E-04 -0.13157E-04 3825 0.296E-02 0.820E-02 RMM: 6 -0.331521374101E+03 0.39329E-04 -0.30243E-05 2788 0.165E-02 0.402E-02 RMM: 7 -0.331521378941E+03 -0.48406E-05 -0.19048E-05 2516 0.137E-02 4614 T= 6799. E= 0.67546559E+03 F= 0.62474761E+03 E0= 0.65323830E+03 EK= 0.55368E+02 SP= -.47E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330843209619E+03 0.67816E+00 -0.14588E-01 8280 0.246E+01 0.238E-01 RMM: 2 -0.330865610131E+03 -0.22401E-01 -0.15374E-01 4941 0.889E-01 0.116E+00 RMM: 3 -0.330856212874E+03 0.93973E-02 -0.16644E-02 5844 0.254E-01 0.214E-01 RMM: 4 -0.330855723185E+03 0.48969E-03 -0.10706E-03 4868 0.702E-02 0.106E-01 RMM: 5 -0.330855678946E+03 0.44239E-04 -0.15355E-04 3882 0.312E-02 0.895E-02 RMM: 6 -0.330855629445E+03 0.49501E-04 -0.37332E-05 2971 0.182E-02 0.442E-02 RMM: 7 -0.330855634467E+03 -0.50216E-05 -0.21570E-05 2534 0.141E-02 4615 T= 6693. E= 0.67547103E+03 F= 0.62541335E+03 E0= 0.65389102E+03 EK= 0.54501E+02 SP= -.45E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330191304611E+03 0.66432E+00 -0.13518E-01 8304 0.243E+01 0.207E-01 RMM: 2 -0.330208396543E+03 -0.17092E-01 -0.12769E-01 5204 0.780E-01 0.911E-01 RMM: 3 -0.330201811992E+03 0.65846E-02 -0.11837E-02 5810 0.219E-01 0.166E-01 RMM: 4 -0.330201580566E+03 0.23143E-03 -0.77916E-04 4899 0.581E-02 0.112E-01 RMM: 5 -0.330201510478E+03 0.70088E-04 -0.10541E-04 3724 0.264E-02 0.753E-02 RMM: 6 -0.330201479857E+03 0.30621E-04 -0.27323E-05 2681 0.158E-02 0.411E-02 RMM: 7 -0.330201485341E+03 -0.54840E-05 -0.24799E-05 2564 0.147E-02 4616 T= 6587. E= 0.67547739E+03 F= 0.62606750E+03 E0= 0.65453209E+03 EK= 0.53642E+02 SP= -.43E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329636422375E+03 0.56506E+00 -0.13161E-01 8120 0.241E+01 0.197E-01 RMM: 2 -0.329654394665E+03 -0.17972E-01 -0.13501E-01 5041 0.819E-01 0.943E-01 RMM: 3 -0.329647918787E+03 0.64759E-02 -0.13831E-02 5970 0.222E-01 0.189E-01 RMM: 4 -0.329647516784E+03 0.40200E-03 -0.79089E-04 4745 0.637E-02 0.105E-01 RMM: 5 -0.329647462117E+03 0.54667E-04 -0.11781E-04 3723 0.282E-02 0.776E-02 RMM: 6 -0.329647428563E+03 0.33553E-04 -0.28924E-05 2750 0.166E-02 0.433E-02 RMM: 7 -0.329647432719E+03 -0.41556E-05 -0.21461E-05 2535 0.137E-02 4617 T= 6494. E= 0.67548368E+03 F= 0.62662156E+03 E0= 0.65507482E+03 EK= 0.52883E+02 SP= -.41E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329272995555E+03 0.37443E+00 -0.12333E-01 8168 0.238E+01 0.185E-01 RMM: 2 -0.329287864674E+03 -0.14869E-01 -0.11680E-01 5148 0.755E-01 0.805E-01 RMM: 3 -0.329282713918E+03 0.51508E-02 -0.11466E-02 5881 0.208E-01 0.141E-01 RMM: 4 -0.329282513430E+03 0.20049E-03 -0.64551E-04 4838 0.544E-02 0.112E-01 RMM: 5 -0.329282435086E+03 0.78344E-04 -0.88245E-05 3629 0.251E-02 0.666E-02 RMM: 6 -0.329282412759E+03 0.22327E-04 -0.24216E-05 2566 0.150E-02 0.400E-02 RMM: 7 -0.329282415151E+03 -0.23926E-05 -0.22188E-05 2557 0.138E-02 4618 T= 6424. E= 0.67548895E+03 F= 0.62698657E+03 E0= 0.65543059E+03 EK= 0.52315E+02 SP= -.39E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329173283706E+03 0.10913E+00 -0.11796E-01 8176 0.236E+01 0.169E-01 RMM: 2 -0.329187464584E+03 -0.14181E-01 -0.11194E-01 4971 0.754E-01 0.778E-01 RMM: 3 -0.329182833165E+03 0.46314E-02 -0.11724E-02 6005 0.204E-01 0.161E-01 RMM: 4 -0.329182522444E+03 0.31072E-03 -0.60698E-04 4653 0.570E-02 0.998E-02 RMM: 5 -0.329182466945E+03 0.55499E-04 -0.90395E-05 3568 0.260E-02 0.687E-02 RMM: 6 -0.329182443302E+03 0.23644E-04 -0.24094E-05 2570 0.151E-02 0.435E-02 RMM: 7 -0.329182446364E+03 -0.30622E-05 -0.23007E-05 2569 0.140E-02 4619 T= 6387. E= 0.67549246E+03 F= 0.62708654E+03 E0= 0.65552515E+03 EK= 0.52015E+02 SP= -.37E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329390822764E+03 -0.20838E+00 -0.11461E-01 8072 0.235E+01 0.179E-01 RMM: 2 -0.329403577532E+03 -0.12755E-01 -0.10088E-01 5038 0.723E-01 0.754E-01 RMM: 3 -0.329399306581E+03 0.42710E-02 -0.10840E-02 5833 0.201E-01 0.134E-01 RMM: 4 -0.329399110495E+03 0.19609E-03 -0.60762E-04 4807 0.529E-02 0.104E-01 RMM: 5 -0.329399045718E+03 0.64778E-04 -0.82925E-05 3563 0.248E-02 0.648E-02 RMM: 6 -0.329399024142E+03 0.21575E-04 -0.23737E-05 2560 0.148E-02 0.378E-02 RMM: 7 -0.329399024825E+03 -0.68240E-06 -0.23086E-05 2564 0.142E-02 4620 T= 6390. E= 0.67549352E+03 F= 0.62686996E+03 E0= 0.65530721E+03 EK= 0.52034E+02 SP= -.35E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329941999482E+03 -0.54298E+00 -0.11273E-01 7896 0.235E+01 0.157E-01 RMM: 2 -0.329954586772E+03 -0.12587E-01 -0.10255E-01 4931 0.731E-01 0.711E-01 RMM: 3 -0.329950785104E+03 0.38017E-02 -0.10944E-02 5953 0.195E-01 0.149E-01 RMM: 4 -0.329950513409E+03 0.27169E-03 -0.54307E-04 4597 0.544E-02 0.940E-02 RMM: 5 -0.329950456302E+03 0.57108E-04 -0.78316E-05 3476 0.251E-02 0.631E-02 RMM: 6 -0.329950438501E+03 0.17800E-04 -0.23127E-05 2544 0.146E-02 4621 T= 6433. E= 0.67549164E+03 F= 0.62631855E+03 E0= 0.65475986E+03 EK= 0.52387E+02 SP= -.33E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330808462003E+03 -0.85801E+00 -0.10804E-01 7776 0.236E+01 0.204E-01 RMM: 2 -0.330823971529E+03 -0.15510E-01 -0.90978E-02 5052 0.696E-01 0.106E+00 RMM: 3 -0.330815975868E+03 0.79957E-02 -0.98222E-03 5480 0.210E-01 0.198E-01 RMM: 4 -0.330815686702E+03 0.28917E-03 -0.78988E-04 4776 0.577E-02 0.792E-02 RMM: 5 -0.330815647075E+03 0.39626E-04 -0.89110E-05 3789 0.248E-02 0.663E-02 RMM: 6 -0.330815631930E+03 0.15145E-04 -0.22744E-05 2557 0.141E-02 4622 T= 6515. E= 0.67548735E+03 F= 0.62545336E+03 E0= 0.65390372E+03 EK= 0.53053E+02 SP= -.31E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331931273369E+03 -0.11156E+01 -0.10709E-01 7648 0.238E+01 0.330E-01 RMM: 2 -0.331963695192E+03 -0.32422E-01 -0.88384E-02 5095 0.728E-01 0.194E+00 RMM: 3 -0.331937827273E+03 0.25868E-01 -0.14073E-02 5367 0.289E-01 0.330E-01 RMM: 4 -0.331937039588E+03 0.78769E-03 -0.16584E-03 4795 0.850E-02 0.853E-02 RMM: 5 -0.331937028480E+03 0.11108E-04 -0.19075E-04 3916 0.323E-02 4623 T= 6628. E= 0.67548168E+03 F= 0.62433196E+03 E0= 0.65279577E+03 EK= 0.53971E+02 SP= -.29E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333218717939E+03 -0.12817E+01 -0.11199E-01 7880 0.241E+01 0.244E-01 RMM: 2 -0.333241550320E+03 -0.22832E-01 -0.91562E-02 5088 0.705E-01 0.147E+00 RMM: 3 -0.333226333098E+03 0.15217E-01 -0.11283E-02 5391 0.243E-01 0.279E-01 RMM: 4 -0.333225811180E+03 0.52192E-03 -0.12176E-03 4716 0.725E-02 0.932E-02 RMM: 5 -0.333225769392E+03 0.41789E-04 -0.14760E-04 3928 0.304E-02 0.821E-02 RMM: 6 -0.333225732054E+03 0.37337E-04 -0.30268E-05 2642 0.165E-02 0.547E-02 RMM: 7 -0.333225749688E+03 -0.17634E-04 -0.40339E-05 3011 0.178E-02 4624 T= 6760. E= 0.67547506E+03 F= 0.62304324E+03 E0= 0.65152358E+03 EK= 0.55046E+02 SP= -.27E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334570606144E+03 -0.13449E+01 -0.11200E-01 7904 0.244E+01 0.258E-01 RMM: 2 -0.334585676559E+03 -0.15070E-01 -0.80950E-02 5111 0.694E-01 0.116E+00 RMM: 3 -0.334576652626E+03 0.90239E-02 -0.93870E-03 5432 0.219E-01 0.224E-01 RMM: 4 -0.334576411899E+03 0.24073E-03 -0.10075E-03 4644 0.685E-02 0.145E-01 RMM: 5 -0.334576324577E+03 0.87322E-04 -0.19012E-04 3879 0.367E-02 0.103E-01 RMM: 6 -0.334576256436E+03 0.68141E-04 -0.60216E-05 3358 0.231E-02 0.300E-02 RMM: 7 -0.334576266955E+03 -0.10520E-04 -0.19131E-05 2532 0.137E-02 4625 T= 6897. E= 0.67546651E+03 F= 0.62169272E+03 E0= 0.65019107E+03 EK= 0.56166E+02 SP= -.25E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335870990104E+03 -0.12947E+01 -0.11737E-01 7864 0.247E+01 0.166E-01 RMM: 2 -0.335881984805E+03 -0.10995E-01 -0.91157E-02 5154 0.718E-01 0.693E-01 RMM: 3 -0.335878762432E+03 0.32224E-02 -0.93510E-03 5881 0.182E-01 0.139E-01 RMM: 4 -0.335878568032E+03 0.19440E-03 -0.50948E-04 4591 0.522E-02 0.123E-01 RMM: 5 -0.335878446214E+03 0.12182E-03 -0.96992E-05 3686 0.269E-02 0.590E-02 RMM: 6 -0.335878431442E+03 0.14772E-04 -0.23519E-05 2552 0.140E-02 4626 T= 7026. E= 0.67545909E+03 F= 0.62039056E+03 E0= 0.64890463E+03 EK= 0.57218E+02 SP= -.23E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337025703520E+03 -0.11473E+01 -0.12546E-01 7680 0.251E+01 0.195E-01 RMM: 2 -0.337041480823E+03 -0.15777E-01 -0.10624E-01 5039 0.772E-01 0.979E-01 RMM: 3 -0.337034802088E+03 0.66787E-02 -0.11835E-02 5685 0.213E-01 0.195E-01 RMM: 4 -0.337034437121E+03 0.36497E-03 -0.74889E-04 4791 0.591E-02 0.835E-02 RMM: 5 -0.337034392496E+03 0.44625E-04 -0.10337E-04 3843 0.265E-02 0.716E-02 RMM: 6 -0.337034368861E+03 0.23634E-04 -0.25960E-05 2572 0.153E-02 0.562E-02 RMM: 7 -0.337034381642E+03 -0.12781E-04 -0.52644E-05 3279 0.204E-02 4627 T= 7134. E= 0.67545290E+03 F= 0.61923461E+03 E0= 0.64776325E+03 EK= 0.58099E+02 SP= -.20E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337961894427E+03 -0.92753E+00 -0.12654E-01 7720 0.253E+01 0.260E-01 RMM: 2 -0.337978190169E+03 -0.16296E-01 -0.96179E-02 5115 0.770E-01 0.116E+00 RMM: 3 -0.337969333278E+03 0.88569E-02 -0.11248E-02 5583 0.226E-01 0.232E-01 RMM: 4 -0.337969022577E+03 0.31070E-03 -0.11792E-03 4683 0.778E-02 0.159E-01 RMM: 5 -0.337968899302E+03 0.12328E-03 -0.20181E-04 3878 0.365E-02 0.107E-01 RMM: 6 -0.337968825257E+03 0.74045E-04 -0.47294E-05 3165 0.209E-02 0.329E-02 RMM: 7 -0.337968825196E+03 0.60701E-07 -0.20220E-05 2511 0.138E-02 4628 T= 7212. E= 0.67544901E+03 F= 0.61830016E+03 E0= 0.64683796E+03 EK= 0.58731E+02 SP= -.17E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338629325250E+03 -0.66050E+00 -0.13987E-01 7688 0.255E+01 0.189E-01 RMM: 2 -0.338645980391E+03 -0.16655E-01 -0.12352E-01 4970 0.828E-01 0.917E-01 RMM: 3 -0.338640097671E+03 0.58827E-02 -0.13818E-02 5880 0.220E-01 0.183E-01 RMM: 4 -0.338639703527E+03 0.39414E-03 -0.72774E-04 4743 0.616E-02 0.963E-02 RMM: 5 -0.338639632505E+03 0.71022E-04 -0.10671E-04 3797 0.271E-02 0.696E-02 RMM: 6 -0.338639610345E+03 0.22160E-04 -0.26581E-05 2577 0.154E-02 0.517E-02 RMM: 7 -0.338639602221E+03 0.81241E-05 -0.46106E-05 2845 0.186E-02 4629 T= 7254. E= 0.67544789E+03 F= 0.61762939E+03 E0= 0.64617224E+03 EK= 0.59069E+02 SP= -.14E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339035105942E+03 -0.39550E+00 -0.13370E-01 7816 0.256E+01 0.222E-01 RMM: 2 -0.339049152877E+03 -0.14047E-01 -0.92831E-02 5045 0.737E-01 0.966E-01 RMM: 3 -0.339042553138E+03 0.65997E-02 -0.10513E-02 5720 0.216E-01 0.207E-01 RMM: 4 -0.339042220451E+03 0.33269E-03 -0.82392E-04 4705 0.625E-02 0.106E-01 RMM: 5 -0.339042165102E+03 0.55349E-04 -0.12202E-04 3785 0.284E-02 0.784E-02 RMM: 6 -0.339042128957E+03 0.36145E-04 -0.27514E-05 2717 0.163E-02 0.355E-02 RMM: 7 -0.339042128938E+03 0.18628E-07 -0.13891E-05 2490 0.115E-02 4630 T= 7258. E= 0.67544937E+03 F= 0.61722686E+03 E0= 0.64576968E+03 EK= 0.59108E+02 SP= -.11E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339193669713E+03 -0.15154E+00 -0.13962E-01 7920 0.257E+01 0.202E-01 RMM: 2 -0.339209953205E+03 -0.16283E-01 -0.11692E-01 4908 0.811E-01 0.925E-01 RMM: 3 -0.339203691715E+03 0.62615E-02 -0.13254E-02 5816 0.226E-01 0.217E-01 RMM: 4 -0.339203240961E+03 0.45075E-03 -0.86546E-04 4714 0.676E-02 0.902E-02 RMM: 5 -0.339203191630E+03 0.49331E-04 -0.12207E-04 3871 0.275E-02 0.752E-02 RMM: 6 -0.339203159552E+03 0.32078E-04 -0.25899E-05 2601 0.157E-02 0.390E-02 RMM: 7 -0.339203157355E+03 0.21979E-05 -0.16103E-05 2484 0.125E-02 4631 T= 7230. E= 0.67545219E+03 F= 0.61706583E+03 E0= 0.64560405E+03 EK= 0.58875E+02 SP= -.76E+00 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339154889146E+03 0.48270E-01 -0.13078E-01 7872 0.256E+01 0.199E-01 RMM: 2 -0.339167863952E+03 -0.12975E-01 -0.90423E-02 5014 0.717E-01 0.876E-01 RMM: 3 -0.339162309822E+03 0.55541E-02 -0.10122E-02 5758 0.208E-01 0.203E-01 RMM: 4 -0.339161975370E+03 0.33445E-03 -0.72138E-04 4678 0.593E-02 0.935E-02 RMM: 5 -0.339161932131E+03 0.43240E-04 -0.10731E-04 3701 0.273E-02 0.760E-02 RMM: 6 -0.339161898554E+03 0.33577E-04 -0.26498E-05 2661 0.160E-02 0.374E-02 RMM: 7 -0.339161900617E+03 -0.20635E-05 -0.17588E-05 2507 0.127E-02 4632 T= 7173. E= 0.67545491E+03 F= 0.61710709E+03 E0= 0.64563647E+03 EK= 0.58412E+02 SP= -.38E+00 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338943582906E+03 0.21832E+00 -0.13290E-01 7800 0.255E+01 0.185E-01 RMM: 2 -0.338957029640E+03 -0.13447E-01 -0.95618E-02 4910 0.732E-01 0.880E-01 RMM: 3 -0.338951541987E+03 0.54877E-02 -0.10848E-02 5760 0.208E-01 0.170E-01 RMM: 4 -0.338951287519E+03 0.25447E-03 -0.68075E-04 4707 0.588E-02 0.998E-02 RMM: 5 -0.338951236717E+03 0.50802E-04 -0.10121E-04 3661 0.272E-02 0.723E-02 RMM: 6 -0.338951205514E+03 0.31203E-04 -0.26899E-05 2632 0.161E-02 0.342E-02 RMM: 7 -0.338951206250E+03 -0.73633E-06 -0.15246E-05 2484 0.123E-02 4633 T= 7092. E= 0.67545598E+03 F= 0.61731778E+03 E0= 0.64583450E+03 EK= 0.57753E+02 SP= 0.29E-01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338575169815E+03 0.37604E+00 -0.12557E-01 7680 0.253E+01 0.149E-01 RMM: 2 -0.338584836056E+03 -0.96662E-02 -0.78993E-02 4912 0.664E-01 0.659E-01 RMM: 3 -0.338581746630E+03 0.30894E-02 -0.88376E-03 5826 0.186E-01 0.119E-01 RMM: 4 -0.338581623452E+03 0.12318E-03 -0.44114E-04 4561 0.477E-02 0.107E-01 RMM: 5 -0.338581544180E+03 0.79272E-04 -0.67316E-05 3400 0.248E-02 0.538E-02 RMM: 6 -0.338581531253E+03 0.12927E-04 -0.22220E-05 2535 0.141E-02 4634 T= 6989. E= 0.67545596E+03 F= 0.61768746E+03 E0= 0.64618874E+03 EK= 0.56915E+02 SP= 0.46E+00 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338033555519E+03 0.54799E+00 -0.11958E-01 7520 0.251E+01 0.164E-01 RMM: 2 -0.338045533838E+03 -0.11978E-01 -0.76366E-02 4912 0.649E-01 0.882E-01 RMM: 3 -0.338039868966E+03 0.56649E-02 -0.86084E-03 5524 0.196E-01 0.133E-01 RMM: 4 -0.338039746326E+03 0.12264E-03 -0.58390E-04 4782 0.501E-02 0.868E-02 RMM: 5 -0.338039697783E+03 0.48543E-04 -0.64196E-05 3386 0.236E-02 0.522E-02 RMM: 6 -0.338039686966E+03 0.10817E-04 -0.19815E-05 2516 0.133E-02 4635 T= 6863. E= 0.67545522E+03 F= 0.61822930E+03 E0= 0.64671276E+03 EK= 0.55892E+02 SP= 0.91E+00 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337292907355E+03 0.74679E+00 -0.11370E-01 7520 0.247E+01 0.243E-01 RMM: 2 -0.337311013018E+03 -0.18106E-01 -0.71344E-02 4934 0.663E-01 0.136E+00 RMM: 3 -0.337298447804E+03 0.12565E-01 -0.10063E-02 5417 0.231E-01 0.227E-01 RMM: 4 -0.337298074340E+03 0.37346E-03 -0.95357E-04 4666 0.643E-02 0.782E-02 RMM: 5 -0.337298058446E+03 0.15894E-04 -0.11319E-04 3858 0.279E-02 4636 T= 6713. E= 0.67545606E+03 F= 0.61897093E+03 E0= 0.64743562E+03 EK= 0.54666E+02 SP= 0.14E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336329829274E+03 0.96825E+00 -0.10856E-01 7392 0.244E+01 0.238E-01 RMM: 2 -0.336347059178E+03 -0.17230E-01 -0.79678E-02 4871 0.680E-01 0.122E+00 RMM: 3 -0.336336537768E+03 0.10521E-01 -0.10854E-02 5390 0.234E-01 0.290E-01 RMM: 4 -0.336335972682E+03 0.56509E-03 -0.11059E-03 4679 0.694E-02 0.807E-02 RMM: 5 -0.336335945352E+03 0.27329E-04 -0.13636E-04 4096 0.280E-02 0.727E-02 RMM: 6 -0.336335917595E+03 0.27758E-04 -0.24266E-05 2555 0.144E-02 0.502E-02 RMM: 7 -0.336335935873E+03 -0.18278E-04 -0.32581E-05 2798 0.171E-02 4637 T= 6536. E= 0.67545804E+03 F= 0.61993305E+03 E0= 0.64838023E+03 EK= 0.53224E+02 SP= 0.19E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335147730871E+03 0.11882E+01 -0.11373E-01 7504 0.239E+01 0.257E-01 RMM: 2 -0.335165690381E+03 -0.17960E-01 -0.99839E-02 4687 0.773E-01 0.120E+00 RMM: 3 -0.335155721246E+03 0.99691E-02 -0.13010E-02 5466 0.244E-01 0.217E-01 RMM: 4 -0.335155411072E+03 0.31017E-03 -0.11458E-03 4749 0.701E-02 0.115E-01 RMM: 5 -0.335155411770E+03 -0.69811E-06 -0.17428E-04 3893 0.331E-02 4638 T= 6334. E= 0.67546256E+03 F= 0.62111358E+03 E0= 0.64954486E+03 EK= 0.51578E+02 SP= 0.23E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333782315238E+03 0.13731E+01 -0.10388E-01 7752 0.234E+01 0.173E-01 RMM: 2 -0.333795027821E+03 -0.12713E-01 -0.88028E-02 4837 0.710E-01 0.851E-01 RMM: 3 -0.333789932407E+03 0.50954E-02 -0.10646E-02 5660 0.204E-01 0.182E-01 RMM: 4 -0.333789634485E+03 0.29792E-03 -0.63760E-04 4737 0.548E-02 0.753E-02 RMM: 5 -0.333789594567E+03 0.39918E-04 -0.91008E-05 3680 0.259E-02 0.653E-02 RMM: 6 -0.333789570622E+03 0.23945E-04 -0.25600E-05 2566 0.150E-02 0.429E-02 RMM: 7 -0.333789570524E+03 0.98136E-07 -0.47019E-05 2859 0.185E-02 4639 T= 6112. E= 0.67546908E+03 F= 0.62247942E+03 E0= 0.65089767E+03 EK= 0.49771E+02 SP= 0.28E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332295370955E+03 0.14942E+01 -0.10302E-01 7624 0.229E+01 0.158E-01 RMM: 2 -0.332306377408E+03 -0.11006E-01 -0.88361E-02 4711 0.717E-01 0.695E-01 RMM: 3 -0.332303034124E+03 0.33433E-02 -0.10929E-02 5873 0.196E-01 0.137E-01 RMM: 4 -0.332302799955E+03 0.23417E-03 -0.55473E-04 4744 0.529E-02 0.845E-02 RMM: 5 -0.332302760484E+03 0.39471E-04 -0.75126E-05 3538 0.244E-02 0.551E-02 RMM: 6 -0.332302744504E+03 0.15980E-04 -0.21163E-05 2538 0.141E-02 4640 T= 5879. E= 0.67547582E+03 F= 0.62396624E+03 E0= 0.65237389E+03 EK= 0.47873E+02 SP= 0.32E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330772875919E+03 0.15299E+01 -0.94393E-02 7384 0.223E+01 0.156E-01 RMM: 2 -0.330785685573E+03 -0.12810E-01 -0.88377E-02 4825 0.697E-01 0.838E-01 RMM: 3 -0.330780540436E+03 0.51451E-02 -0.10345E-02 5692 0.197E-01 0.138E-01 RMM: 4 -0.330780336972E+03 0.20346E-03 -0.57829E-04 4663 0.528E-02 0.854E-02 RMM: 5 -0.330780278232E+03 0.58740E-04 -0.75186E-05 3537 0.239E-02 0.507E-02 RMM: 6 -0.330780268467E+03 0.97654E-05 -0.20725E-05 2523 0.135E-02 4641 T= 5646. E= 0.67548417E+03 F= 0.62548872E+03 E0= 0.65388943E+03 EK= 0.45978E+02 SP= 0.37E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329315922509E+03 0.14644E+01 -0.85470E-02 7560 0.218E+01 0.226E-01 RMM: 2 -0.329331802798E+03 -0.15880E-01 -0.67839E-02 5079 0.627E-01 0.124E+00 RMM: 3 -0.329321304388E+03 0.10498E-01 -0.87426E-03 5404 0.213E-01 0.237E-01 RMM: 4 -0.329320904281E+03 0.40011E-03 -0.92948E-04 4662 0.629E-02 0.660E-02 RMM: 5 -0.329320889246E+03 0.15034E-04 -0.11159E-04 3938 0.250E-02 4642 T= 5426. E= 0.67549289E+03 F= 0.62694810E+03 E0= 0.65534475E+03 EK= 0.44189E+02 SP= 0.41E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328017884172E+03 0.13030E+01 -0.80426E-02 7688 0.213E+01 0.164E-01 RMM: 2 -0.328029905950E+03 -0.12022E-01 -0.71704E-02 5100 0.617E-01 0.913E-01 RMM: 3 -0.328024046820E+03 0.58591E-02 -0.77501E-03 5550 0.178E-01 0.184E-01 RMM: 4 -0.328023781711E+03 0.26511E-03 -0.63107E-04 4600 0.544E-02 0.813E-02 RMM: 5 -0.328023746470E+03 0.35241E-04 -0.79909E-05 3652 0.222E-02 0.652E-02 RMM: 6 -0.328023731065E+03 0.15405E-04 -0.19645E-05 2536 0.136E-02 4643 T= 5232. E= 0.67550095E+03 F= 0.62824526E+03 E0= 0.65664020E+03 EK= 0.42608E+02 SP= 0.44E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326973179343E+03 0.10506E+01 -0.82031E-02 7536 0.210E+01 0.281E-01 RMM: 2 -0.326991446829E+03 -0.18267E-01 -0.79010E-02 5032 0.681E-01 0.135E+00 RMM: 3 -0.326979012201E+03 0.12435E-01 -0.11291E-02 5378 0.250E-01 0.254E-01 RMM: 4 -0.326978567437E+03 0.44476E-03 -0.11817E-03 4733 0.668E-02 0.799E-02 RMM: 5 -0.326978559769E+03 0.76682E-05 -0.15132E-04 3867 0.312E-02 4644 T= 5075. E= 0.67550745E+03 F= 0.62929043E+03 E0= 0.65768574E+03 EK= 0.41326E+02 SP= 0.47E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326249976563E+03 0.72859E+00 -0.79035E-02 7616 0.207E+01 0.186E-01 RMM: 2 -0.326263071573E+03 -0.13095E-01 -0.67888E-02 5120 0.596E-01 0.101E+00 RMM: 3 -0.326255833726E+03 0.72378E-02 -0.77642E-03 5443 0.190E-01 0.195E-01 RMM: 4 -0.326255576388E+03 0.25734E-03 -0.75943E-04 4663 0.564E-02 0.900E-02 RMM: 5 -0.326255529914E+03 0.46473E-04 -0.93362E-05 3746 0.238E-02 0.655E-02 RMM: 6 -0.326255505293E+03 0.24621E-04 -0.20990E-05 2554 0.142E-02 0.372E-02 RMM: 7 -0.326255507774E+03 -0.24816E-05 -0.14988E-05 2501 0.115E-02 4645 T= 4963. E= 0.67551205E+03 F= 0.63001348E+03 E0= 0.65841117E+03 EK= 0.40412E+02 SP= 0.50E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325891879995E+03 0.36363E+00 -0.82762E-02 7776 0.206E+01 0.185E-01 RMM: 2 -0.325903212659E+03 -0.11333E-01 -0.76226E-02 4886 0.655E-01 0.847E-01 RMM: 3 -0.325898218530E+03 0.49941E-02 -0.90402E-03 5661 0.188E-01 0.147E-01 RMM: 4 -0.325898030955E+03 0.18757E-03 -0.62665E-04 4697 0.532E-02 0.984E-02 RMM: 5 -0.325897994346E+03 0.36609E-04 -0.95283E-05 3674 0.252E-02 0.731E-02 RMM: 6 -0.325897959064E+03 0.35282E-04 -0.25200E-05 2695 0.156E-02 0.182E-02 RMM: 7 -0.325897959458E+03 -0.39397E-06 -0.82149E-06 2468 0.911E-03 4646 T= 4901. E= 0.67551410E+03 F= 0.63037103E+03 E0= 0.65877310E+03 EK= 0.39910E+02 SP= 0.52E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325913894142E+03 -0.15935E-01 -0.82922E-02 7656 0.206E+01 0.165E-01 RMM: 2 -0.325924595388E+03 -0.10701E-01 -0.79114E-02 5001 0.665E-01 0.769E-01 RMM: 3 -0.325920622639E+03 0.39727E-02 -0.91917E-03 5788 0.182E-01 0.138E-01 RMM: 4 -0.325920389866E+03 0.23277E-03 -0.53923E-04 4722 0.481E-02 0.763E-02 RMM: 5 -0.325920345962E+03 0.43904E-04 -0.64483E-05 3399 0.221E-02 0.532E-02 RMM: 6 -0.325920331115E+03 0.14847E-04 -0.19379E-05 2526 0.134E-02 4647 T= 4891. E= 0.67551359E+03 F= 0.63034866E+03 E0= 0.65875644E+03 EK= 0.39832E+02 SP= 0.53E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326299520258E+03 -0.37917E+00 -0.80702E-02 7616 0.208E+01 0.157E-01 RMM: 2 -0.326310885176E+03 -0.11365E-01 -0.81451E-02 4971 0.656E-01 0.771E-01 RMM: 3 -0.326306633893E+03 0.42513E-02 -0.92868E-03 5715 0.178E-01 0.156E-01 RMM: 4 -0.326306352324E+03 0.28157E-03 -0.52629E-04 4595 0.489E-02 0.641E-02 RMM: 5 -0.326306327731E+03 0.24593E-04 -0.62960E-05 3271 0.219E-02 0.541E-02 RMM: 6 -0.326306313167E+03 0.14564E-04 -0.21395E-05 2514 0.141E-02 4648 T= 4932. E= 0.67551112E+03 F= 0.62996268E+03 E0= 0.65837767E+03 EK= 0.40162E+02 SP= 0.54E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327006909010E+03 -0.70058E+00 -0.77025E-02 7664 0.210E+01 0.291E-01 RMM: 2 -0.327029909797E+03 -0.23001E-01 -0.64430E-02 5153 0.629E-01 0.164E+00 RMM: 3 -0.327011481866E+03 0.18428E-01 -0.10215E-02 5366 0.248E-01 0.279E-01 RMM: 4 -0.327010914221E+03 0.56764E-03 -0.12281E-03 4657 0.727E-02 0.779E-02 RMM: 5 -0.327010913735E+03 0.48664E-06 -0.15324E-04 3891 0.292E-02 4649 T= 5017. E= 0.67550767E+03 F= 0.62925808E+03 E0= 0.65768179E+03 EK= 0.40855E+02 SP= 0.54E+01 SK= 0.62E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327956009183E+03 -0.94509E+00 -0.86927E-02 7624 0.214E+01 0.181E-01 RMM: 2 -0.327972457210E+03 -0.16448E-01 -0.79607E-02 5058 0.638E-01 0.115E+00 RMM: 3 -0.327962870829E+03 0.95864E-02 -0.91919E-03 5482 0.199E-01 0.169E-01 RMM: 4 -0.327962648559E+03 0.22227E-03 -0.80018E-04 4767 0.566E-02 0.943E-02 RMM: 5 -0.327962603812E+03 0.44747E-04 -0.99945E-05 3739 0.261E-02 0.649E-02 RMM: 6 -0.327962577484E+03 0.26328E-04 -0.22283E-05 2549 0.141E-02 0.379E-02 RMM: 7 -0.327962578354E+03 -0.87043E-06 -0.17731E-05 2509 0.127E-02 4650 T= 5138. E= 0.67550226E+03 F= 0.62830641E+03 E0= 0.65674109E+03 EK= 0.41837E+02 SP= 0.53E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329063721699E+03 -0.11011E+01 -0.89685E-02 7688 0.218E+01 0.210E-01 RMM: 2 -0.329076491492E+03 -0.12770E-01 -0.72823E-02 4994 0.653E-01 0.102E+00 RMM: 3 -0.329069501014E+03 0.69905E-02 -0.85096E-03 5519 0.194E-01 0.174E-01 RMM: 4 -0.329069313514E+03 0.18750E-03 -0.73699E-04 4690 0.576E-02 0.110E-01 RMM: 5 -0.329069257385E+03 0.56129E-04 -0.12099E-04 3803 0.276E-02 0.804E-02 RMM: 6 -0.329069216651E+03 0.40734E-04 -0.32698E-05 2921 0.178E-02 0.232E-02 RMM: 7 -0.329069220402E+03 -0.37514E-05 -0.12172E-05 2488 0.107E-02 4651 T= 5282. E= 0.67549519E+03 F= 0.62719977E+03 E0= 0.65564722E+03 EK= 0.43016E+02 SP= 0.53E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330223271603E+03 -0.11541E+01 -0.88587E-02 7816 0.222E+01 0.143E-01 RMM: 2 -0.330231934565E+03 -0.86630E-02 -0.67627E-02 5084 0.621E-01 0.657E-01 RMM: 3 -0.330229050428E+03 0.28841E-02 -0.73368E-03 5896 0.157E-01 0.115E-01 RMM: 4 -0.330228903123E+03 0.14731E-03 -0.39358E-04 4240 0.472E-02 0.109E-01 RMM: 5 -0.330228812652E+03 0.90471E-04 -0.74376E-05 3470 0.255E-02 0.470E-02 RMM: 6 -0.330228802730E+03 0.99220E-05 -0.17416E-05 2518 0.116E-02 4652 T= 5438. E= 0.67548776E+03 F= 0.62604019E+03 E0= 0.65450163E+03 EK= 0.44288E+02 SP= 0.51E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331330069557E+03 -0.11013E+01 -0.97829E-02 7768 0.225E+01 0.127E-01 RMM: 2 -0.331339569188E+03 -0.94996E-02 -0.80270E-02 4878 0.674E-01 0.589E-01 RMM: 3 -0.331337194577E+03 0.23746E-02 -0.93767E-03 6002 0.172E-01 0.104E-01 RMM: 4 -0.331336980203E+03 0.21437E-03 -0.37318E-04 4686 0.446E-02 0.777E-02 RMM: 5 -0.331336934875E+03 0.45327E-04 -0.48933E-05 2946 0.224E-02 0.483E-02 RMM: 6 -0.331336928428E+03 0.64469E-05 -0.21174E-05 2518 0.136E-02 4653 T= 5593. E= 0.67548072E+03 F= 0.62493206E+03 E0= 0.65340916E+03 EK= 0.45546E+02 SP= 0.49E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332293660272E+03 -0.95673E+00 -0.97817E-02 7672 0.229E+01 0.237E-01 RMM: 2 -0.332309669460E+03 -0.16009E-01 -0.64196E-02 5113 0.629E-01 0.128E+00 RMM: 3 -0.332298439304E+03 0.11230E-01 -0.82800E-03 5418 0.210E-01 0.195E-01 RMM: 4 -0.332298185078E+03 0.25423E-03 -0.89461E-04 4642 0.628E-02 0.963E-02 RMM: 5 -0.332298143692E+03 0.41386E-04 -0.12095E-04 3842 0.282E-02 0.806E-02 RMM: 6 -0.332298101619E+03 0.42073E-04 -0.27686E-05 2694 0.165E-02 0.340E-02 RMM: 7 -0.332298100192E+03 0.14274E-05 -0.13409E-05 2486 0.116E-02 4654 T= 5734. E= 0.67547502E+03 F= 0.62397089E+03 E0= 0.65246456E+03 EK= 0.46694E+02 SP= 0.47E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333029167711E+03 -0.73107E+00 -0.10913E-01 7688 0.232E+01 0.195E-01 RMM: 2 -0.333043984567E+03 -0.14817E-01 -0.83761E-02 4925 0.699E-01 0.106E+00 RMM: 3 -0.333036192940E+03 0.77916E-02 -0.99559E-03 5513 0.209E-01 0.200E-01 RMM: 4 -0.333035898326E+03 0.29461E-03 -0.84942E-04 4691 0.629E-02 0.972E-02 RMM: 5 -0.333035857015E+03 0.41312E-04 -0.12698E-04 3814 0.294E-02 0.820E-02 RMM: 6 -0.333035809991E+03 0.47024E-04 -0.29511E-05 2697 0.165E-02 0.329E-02 RMM: 7 -0.333035805666E+03 0.43243E-05 -0.19455E-05 2498 0.138E-02 4655 T= 5851. E= 0.67547114E+03 F= 0.62323318E+03 E0= 0.65174292E+03 EK= 0.47650E+02 SP= 0.45E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333495091910E+03 -0.45928E+00 -0.10467E-01 7616 0.234E+01 0.163E-01 RMM: 2 -0.333505732077E+03 -0.10640E-01 -0.69043E-02 5036 0.627E-01 0.849E-01 RMM: 3 -0.333500813662E+03 0.49184E-02 -0.76521E-03 5695 0.173E-01 0.142E-01 RMM: 4 -0.333500626913E+03 0.18675E-03 -0.48977E-04 4503 0.484E-02 0.782E-02 RMM: 5 -0.333500590467E+03 0.36446E-04 -0.68789E-05 3475 0.226E-02 0.620E-02 RMM: 6 -0.333500569153E+03 0.21314E-04 -0.21265E-05 2535 0.141E-02 0.357E-02 RMM: 7 -0.333500568397E+03 0.75687E-06 -0.15661E-05 2484 0.122E-02 4656 T= 5939. E= 0.67546967E+03 F= 0.62276842E+03 E0= 0.65129297E+03 EK= 0.48362E+02 SP= 0.42E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333673378563E+03 -0.17281E+00 -0.10773E-01 7496 0.236E+01 0.156E-01 RMM: 2 -0.333681734146E+03 -0.83556E-02 -0.63467E-02 5096 0.602E-01 0.682E-01 RMM: 3 -0.333678567060E+03 0.31671E-02 -0.67535E-03 5817 0.159E-01 0.145E-01 RMM: 4 -0.333678384993E+03 0.18207E-03 -0.42588E-04 4341 0.477E-02 0.913E-02 RMM: 5 -0.333678327660E+03 0.57333E-04 -0.63941E-05 3381 0.227E-02 0.520E-02 RMM: 6 -0.333678313902E+03 0.13758E-04 -0.17822E-05 2521 0.128E-02 4657 T= 5994. E= 0.67547098E+03 F= 0.62259068E+03 E0= 0.65112729E+03 EK= 0.48812E+02 SP= 0.39E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333584141957E+03 0.94186E-01 -0.10661E-01 7368 0.236E+01 0.150E-01 RMM: 2 -0.333593953896E+03 -0.98119E-02 -0.71632E-02 4983 0.634E-01 0.737E-01 RMM: 3 -0.333590240694E+03 0.37132E-02 -0.80503E-03 5800 0.172E-01 0.128E-01 RMM: 4 -0.333590059435E+03 0.18126E-03 -0.42211E-04 4494 0.454E-02 0.808E-02 RMM: 5 -0.333590009529E+03 0.49907E-04 -0.53788E-05 3236 0.213E-02 0.549E-02 RMM: 6 -0.333589998761E+03 0.10767E-04 -0.20793E-05 2515 0.137E-02 4658 T= 6019. E= 0.67547484E+03 F= 0.62267899E+03 E0= 0.65122402E+03 EK= 0.49019E+02 SP= 0.36E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333281613694E+03 0.30840E+00 -0.10665E-01 7296 0.236E+01 0.252E-01 RMM: 2 -0.333301427151E+03 -0.19813E-01 -0.73745E-02 4975 0.670E-01 0.143E+00 RMM: 3 -0.333287393189E+03 0.14034E-01 -0.10187E-02 5400 0.236E-01 0.265E-01 RMM: 4 -0.333286886108E+03 0.50708E-03 -0.10837E-03 4634 0.684E-02 0.683E-02 RMM: 5 -0.333286880986E+03 0.51219E-05 -0.13036E-04 3988 0.277E-02 4659 T= 6021. E= 0.67548063E+03 F= 0.62298211E+03 E0= 0.65153120E+03 EK= 0.49031E+02 SP= 0.32E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332833889266E+03 0.45300E+00 -0.10346E-01 7312 0.235E+01 0.180E-01 RMM: 2 -0.332846466460E+03 -0.12577E-01 -0.72233E-02 5034 0.638E-01 0.952E-01 RMM: 3 -0.332840072163E+03 0.63943E-02 -0.82682E-03 5441 0.196E-01 0.213E-01 RMM: 4 -0.332839767385E+03 0.30478E-03 -0.72354E-04 4638 0.572E-02 0.799E-02 RMM: 5 -0.332839737673E+03 0.29712E-04 -0.87724E-05 3774 0.236E-02 0.745E-02 RMM: 6 -0.332839710680E+03 0.26993E-04 -0.21428E-05 2546 0.142E-02 0.486E-02 RMM: 7 -0.332839722644E+03 -0.11964E-04 -0.30181E-05 2661 0.159E-02 4660 T= 6007. E= 0.67548673E+03 F= 0.62342927E+03 E0= 0.65197886E+03 EK= 0.48915E+02 SP= 0.29E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332319945145E+03 0.51977E+00 -0.10352E-01 7408 0.234E+01 0.237E-01 RMM: 2 -0.332333024754E+03 -0.13080E-01 -0.77297E-02 4757 0.688E-01 0.102E+00 RMM: 3 -0.332325986815E+03 0.70379E-02 -0.97040E-03 5481 0.214E-01 0.205E-01 RMM: 4 -0.332325759441E+03 0.22737E-03 -0.90185E-04 4639 0.660E-02 0.133E-01 RMM: 5 -0.332325759952E+03 -0.51111E-06 -0.18139E-04 3874 0.347E-02 4661 T= 5986. E= 0.67549283E+03 F= 0.62394323E+03 E0= 0.65248875E+03 EK= 0.48749E+02 SP= 0.25E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331806888666E+03 0.51887E+00 -0.10418E-01 7760 0.233E+01 0.123E-01 RMM: 2 -0.331816883985E+03 -0.99953E-02 -0.91696E-02 4872 0.714E-01 0.495E-01 RMM: 3 -0.331815117257E+03 0.17667E-02 -0.10314E-02 6008 0.182E-01 0.104E-01 RMM: 4 -0.331814925171E+03 0.19209E-03 -0.42678E-04 4451 0.510E-02 0.911E-02 RMM: 5 -0.331814861470E+03 0.63701E-04 -0.62241E-05 3284 0.247E-02 0.538E-02 RMM: 6 -0.331814853531E+03 0.79392E-05 -0.26072E-05 2538 0.146E-02 4662 T= 5968. E= 0.67549793E+03 F= 0.62445414E+03 E0= 0.65299474E+03 EK= 0.48602E+02 SP= 0.21E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331351693390E+03 0.46317E+00 -0.11871E-01 7504 0.232E+01 0.196E-01 RMM: 2 -0.331368931529E+03 -0.17238E-01 -0.10114E-01 4694 0.764E-01 0.110E+00 RMM: 3 -0.331360287109E+03 0.86444E-02 -0.12237E-02 5531 0.230E-01 0.182E-01 RMM: 4 -0.331360002499E+03 0.28461E-03 -0.88334E-04 4945 0.599E-02 0.606E-02 RMM: 5 -0.331359996252E+03 0.62468E-05 -0.10214E-04 3799 0.273E-02 4663 T= 5959. E= 0.67550141E+03 F= 0.62490899E+03 E0= 0.65344332E+03 EK= 0.48528E+02 SP= 0.17E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330987316847E+03 0.37269E+00 -0.10799E-01 7608 0.232E+01 0.220E-01 RMM: 2 -0.331006817443E+03 -0.19501E-01 -0.92518E-02 4928 0.722E-01 0.131E+00 RMM: 3 -0.330994904642E+03 0.11913E-01 -0.11036E-02 5479 0.228E-01 0.204E-01 RMM: 4 -0.330994593184E+03 0.31146E-03 -0.96827E-04 4693 0.658E-02 0.947E-02 RMM: 5 -0.330994549569E+03 0.43615E-04 -0.12316E-04 3947 0.277E-02 0.812E-02 RMM: 6 -0.330994512817E+03 0.36752E-04 -0.26919E-05 2610 0.156E-02 0.492E-02 RMM: 7 -0.330994522472E+03 -0.96552E-05 -0.39781E-05 2959 0.179E-02 4664 T= 5963. E= 0.67550374E+03 F= 0.62527447E+03 E0= 0.65380436E+03 EK= 0.48560E+02 SP= 0.13E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330728907483E+03 0.26561E+00 -0.10679E-01 7736 0.232E+01 0.208E-01 RMM: 2 -0.330741843843E+03 -0.12936E-01 -0.92279E-02 4755 0.720E-01 0.866E-01 RMM: 3 -0.330736737023E+03 0.51068E-02 -0.11228E-02 5701 0.212E-01 0.185E-01 RMM: 4 -0.330736497134E+03 0.23989E-03 -0.79177E-04 4665 0.634E-02 0.128E-01 RMM: 5 -0.330736428842E+03 0.68293E-04 -0.12972E-04 3765 0.290E-02 0.861E-02 RMM: 6 -0.330736384219E+03 0.44623E-04 -0.39528E-05 3038 0.194E-02 0.303E-02 RMM: 7 -0.330736398610E+03 -0.14390E-04 -0.18512E-05 2527 0.135E-02 4665 T= 5983. E= 0.67550481E+03 F= 0.62553259E+03 E0= 0.65406040E+03 EK= 0.48718E+02 SP= 0.83E+00 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330585778379E+03 0.15061E+00 -0.10449E-01 7936 0.231E+01 0.158E-01 RMM: 2 -0.330596308708E+03 -0.10530E-01 -0.83908E-02 5184 0.661E-01 0.694E-01 RMM: 3 -0.330592759049E+03 0.35497E-02 -0.80867E-03 5926 0.171E-01 0.138E-01 RMM: 4 -0.330592554419E+03 0.20463E-03 -0.43576E-04 4430 0.484E-02 0.101E-01 RMM: 5 -0.330592474443E+03 0.79976E-04 -0.68534E-05 3420 0.230E-02 0.589E-02 RMM: 6 -0.330592460873E+03 0.13569E-04 -0.20830E-05 2533 0.136E-02 4666 T= 6018. E= 0.67550591E+03 F= 0.62567653E+03 E0= 0.65420527E+03 EK= 0.49011E+02 SP= 0.35E+00 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330557438751E+03 0.35036E-01 -0.10950E-01 7728 0.232E+01 0.206E-01 RMM: 2 -0.330574015347E+03 -0.16577E-01 -0.95090E-02 5072 0.704E-01 0.111E+00 RMM: 3 -0.330565276256E+03 0.87391E-02 -0.10230E-02 5554 0.214E-01 0.205E-01 RMM: 4 -0.330564938247E+03 0.33801E-03 -0.81529E-04 4841 0.587E-02 0.784E-02 RMM: 5 -0.330564904014E+03 0.34233E-04 -0.92373E-05 3780 0.245E-02 0.718E-02 RMM: 6 -0.330564883633E+03 0.20381E-04 -0.22758E-05 2564 0.142E-02 0.589E-02 RMM: 7 -0.330564909022E+03 -0.25389E-04 -0.47343E-05 3155 0.195E-02 0.925E-02 RMM: 8 -0.330564849669E+03 0.59352E-04 -0.74342E-05 3754 0.200E-02 0.300E-02 RMM: 9 -0.330564847082E+03 0.25874E-05 -0.13136E-05 2497 0.105E-02 4667 T= 6071. E= 0.67550628E+03 F= 0.62570414E+03 E0= 0.65423872E+03 EK= 0.49440E+02 SP= -.14E+00 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330645356682E+03 -0.80507E-01 -0.11137E-01 7864 0.232E+01 0.260E-01 RMM: 2 -0.330664037413E+03 -0.18681E-01 -0.99943E-02 5143 0.725E-01 0.125E+00 RMM: 3 -0.330653046497E+03 0.10991E-01 -0.10878E-02 5582 0.221E-01 0.208E-01 RMM: 4 -0.330652873053E+03 0.17344E-03 -0.12715E-03 4710 0.815E-02 0.185E-01 RMM: 5 -0.330652701613E+03 0.17144E-03 -0.22588E-04 3887 0.378E-02 0.116E-01 RMM: 6 -0.330652612594E+03 0.89019E-04 -0.51393E-05 3239 0.217E-02 0.285E-02 RMM: 7 -0.330652623104E+03 -0.10509E-04 -0.24224E-05 2569 0.147E-02 4668 T= 6140. E= 0.67550557E+03 F= 0.62561637E+03 E0= 0.65415988E+03 EK= 0.50003E+02 SP= -.64E+00 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330839579557E+03 -0.18697E+00 -0.11583E-01 8040 0.233E+01 0.178E-01 RMM: 2 -0.330853248408E+03 -0.13669E-01 -0.10164E-01 5255 0.711E-01 0.839E-01 RMM: 3 -0.330848048793E+03 0.51996E-02 -0.96496E-03 5909 0.190E-01 0.170E-01 RMM: 4 -0.330847750858E+03 0.29793E-03 -0.57697E-04 4717 0.521E-02 0.765E-02 RMM: 5 -0.330847708684E+03 0.42174E-04 -0.71756E-05 3602 0.214E-02 0.633E-02 RMM: 6 -0.330847694024E+03 0.14659E-04 -0.18671E-05 2531 0.131E-02 4669 T= 6225. E= 0.67550454E+03 F= 0.62542130E+03 E0= 0.65397770E+03 EK= 0.50692E+02 SP= -.12E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331127263403E+03 -0.27955E+00 -0.11740E-01 8456 0.235E+01 0.232E-01 RMM: 2 -0.331145872041E+03 -0.18609E-01 -0.97671E-02 5353 0.684E-01 0.123E+00 RMM: 3 -0.331134902699E+03 0.10969E-01 -0.95314E-03 5423 0.218E-01 0.188E-01 RMM: 4 -0.331134656766E+03 0.24593E-03 -0.97258E-04 5057 0.580E-02 0.879E-02 RMM: 5 -0.331134598685E+03 0.58081E-04 -0.78211E-05 3654 0.236E-02 0.694E-02 RMM: 6 -0.331134580549E+03 0.18136E-04 -0.22867E-05 2556 0.144E-02 4670 T= 6323. E= 0.67550289E+03 F= 0.62513441E+03 E0= 0.65370643E+03 EK= 0.51489E+02 SP= -.17E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331479578533E+03 -0.34498E+00 -0.12114E-01 8320 0.237E+01 0.356E-01 RMM: 2 -0.331511870861E+03 -0.32292E-01 -0.11736E-01 5215 0.799E-01 0.185E+00 RMM: 3 -0.331488430751E+03 0.23440E-01 -0.16350E-02 5378 0.308E-01 0.383E-01 RMM: 4 -0.331487351984E+03 0.10788E-02 -0.19473E-03 4812 0.919E-02 0.773E-02 RMM: 5 -0.331487336351E+03 0.15633E-04 -0.22597E-04 4452 0.317E-02 0.933E-02 RMM: 6 -0.331487281787E+03 0.54564E-04 -0.28337E-05 2604 0.164E-02 0.475E-02 RMM: 7 -0.331487288023E+03 -0.62365E-05 -0.28645E-05 2653 0.163E-02 4671 T= 6431. E= 0.67549986E+03 F= 0.62478170E+03 E0= 0.65337209E+03 EK= 0.52367E+02 SP= -.22E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331861882013E+03 -0.37460E+00 -0.12545E-01 8408 0.239E+01 0.297E-01 RMM: 2 -0.331890642290E+03 -0.28760E-01 -0.11732E-01 5179 0.766E-01 0.165E+00 RMM: 3 -0.331871221869E+03 0.19420E-01 -0.13918E-02 5416 0.268E-01 0.301E-01 RMM: 4 -0.331870609452E+03 0.61242E-03 -0.16786E-03 4742 0.866E-02 0.130E-01 RMM: 5 -0.331870601958E+03 0.74941E-05 -0.24030E-04 3898 0.388E-02 0.128E-01 RMM: 6 -0.331870487885E+03 0.11407E-03 -0.64296E-05 3387 0.233E-02 0.384E-02 RMM: 7 -0.331870492526E+03 -0.46410E-05 -0.22628E-05 2561 0.145E-02 4672 T= 6543. E= 0.67549685E+03 F= 0.62439850E+03 E0= 0.65300925E+03 EK= 0.53286E+02 SP= -.28E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332236816316E+03 -0.36633E+00 -0.13067E-01 8456 0.242E+01 0.232E-01 RMM: 2 -0.332256279415E+03 -0.19463E-01 -0.12814E-01 5106 0.807E-01 0.111E+00 RMM: 3 -0.332247208461E+03 0.90710E-02 -0.13000E-02 5636 0.239E-01 0.207E-01 RMM: 4 -0.332246856204E+03 0.35226E-03 -0.10001E-03 4875 0.647E-02 0.955E-02 RMM: 5 -0.332246807282E+03 0.48922E-04 -0.12663E-04 3831 0.286E-02 0.828E-02 RMM: 6 -0.332246767425E+03 0.39857E-04 -0.30481E-05 2772 0.167E-02 0.446E-02 RMM: 7 -0.332246766568E+03 0.85705E-06 -0.19811E-05 2533 0.135E-02 4673 T= 6657. E= 0.67549467E+03 F= 0.62402222E+03 E0= 0.65265452E+03 EK= 0.54207E+02 SP= -.33E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332576202227E+03 -0.32943E+00 -0.13154E-01 8224 0.244E+01 0.178E-01 RMM: 2 -0.332592173586E+03 -0.15971E-01 -0.12469E-01 5094 0.792E-01 0.838E-01 RMM: 3 -0.332586903289E+03 0.52703E-02 -0.12301E-02 5989 0.209E-01 0.174E-01 RMM: 4 -0.332586548942E+03 0.35435E-03 -0.65807E-04 4702 0.587E-02 0.101E-01 RMM: 5 -0.332586481978E+03 0.66964E-04 -0.98002E-05 3665 0.271E-02 0.608E-02 RMM: 6 -0.332586466159E+03 0.15820E-04 -0.23585E-05 2566 0.144E-02 4674 T= 6766. E= 0.67549340E+03 F= 0.62368252E+03 E0= 0.65233850E+03 EK= 0.55095E+02 SP= -.38E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332859269053E+03 -0.27279E+00 -0.13720E-01 7800 0.247E+01 0.230E-01 RMM: 2 -0.332883556846E+03 -0.24288E-01 -0.16062E-01 4923 0.930E-01 0.121E+00 RMM: 3 -0.332873330913E+03 0.10226E-01 -0.17885E-02 5690 0.262E-01 0.247E-01 RMM: 4 -0.332872727452E+03 0.60346E-03 -0.11745E-03 4884 0.744E-02 0.926E-02 RMM: 5 -0.332872677188E+03 0.50264E-04 -0.15906E-04 4245 0.293E-02 0.770E-02 RMM: 6 -0.332872650681E+03 0.26507E-04 -0.27214E-05 2609 0.155E-02 0.619E-02 RMM: 7 -0.332872652622E+03 -0.19406E-05 -0.33613E-05 2709 0.177E-02 4675 T= 6868. E= 0.67549251E+03 F= 0.62339634E+03 E0= 0.65207750E+03 EK= 0.55929E+02 SP= -.44E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333088192199E+03 -0.21554E+00 -0.12388E-01 7784 0.249E+01 0.267E-01 RMM: 2 -0.333107983246E+03 -0.19791E-01 -0.11131E-01 5024 0.802E-01 0.125E+00 RMM: 3 -0.333097205236E+03 0.10778E-01 -0.12724E-02 5569 0.243E-01 0.253E-01 RMM: 4 -0.333096776420E+03 0.42882E-03 -0.12966E-03 4750 0.805E-02 0.136E-01 RMM: 5 -0.333096701209E+03 0.75211E-04 -0.19997E-04 3887 0.353E-02 0.980E-02 RMM: 6 -0.333096642765E+03 0.58445E-04 -0.45930E-05 3132 0.206E-02 0.351E-02 RMM: 7 -0.333096645466E+03 -0.27013E-05 -0.17431E-05 2513 0.128E-02 4676 T= 6962. E= 0.67549191E+03 F= 0.62317234E+03 E0= 0.65187924E+03 EK= 0.56693E+02 SP= -.49E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333239954981E+03 -0.14331E+00 -0.13681E-01 7776 0.250E+01 0.251E-01 RMM: 2 -0.333264410513E+03 -0.24456E-01 -0.14466E-01 4915 0.913E-01 0.135E+00 RMM: 3 -0.333252197824E+03 0.12213E-01 -0.16339E-02 5601 0.265E-01 0.231E-01 RMM: 4 -0.333251720534E+03 0.47729E-03 -0.12125E-03 4864 0.745E-02 0.112E-01 RMM: 5 -0.333251645413E+03 0.75121E-04 -0.17049E-04 3931 0.339E-02 0.797E-02 RMM: 6 -0.333251609010E+03 0.36403E-04 -0.40696E-05 2976 0.187E-02 0.495E-02 RMM: 7 -0.333251608712E+03 0.29808E-06 -0.25561E-05 2545 0.153E-02 4677 T= 7046. E= 0.67549147E+03 F= 0.62301738E+03 E0= 0.65174943E+03 EK= 0.57376E+02 SP= -.54E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333320375352E+03 -0.68766E-01 -0.12068E-01 7776 0.251E+01 0.206E-01 RMM: 2 -0.333334037728E+03 -0.13662E-01 -0.93946E-02 5092 0.743E-01 0.939E-01 RMM: 3 -0.333328039726E+03 0.59980E-02 -0.99771E-03 5615 0.211E-01 0.155E-01 RMM: 4 -0.333327859378E+03 0.18035E-03 -0.71431E-04 4744 0.569E-02 0.112E-01 RMM: 5 -0.333327780045E+03 0.79332E-04 -0.10499E-04 3765 0.285E-02 0.668E-02 RMM: 6 -0.333327756454E+03 0.23592E-04 -0.25825E-05 2601 0.152E-02 0.411E-02 RMM: 7 -0.333327754332E+03 0.21220E-05 -0.20571E-05 2519 0.141E-02 4678 T= 7118. E= 0.67549052E+03 F= 0.62294123E+03 E0= 0.65169599E+03 EK= 0.57963E+02 SP= -.58E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333301225792E+03 0.26531E-01 -0.12693E-01 7792 0.253E+01 0.206E-01 RMM: 2 -0.333316959787E+03 -0.15734E-01 -0.10891E-01 4987 0.806E-01 0.992E-01 RMM: 3 -0.333310427593E+03 0.65322E-02 -0.12041E-02 5750 0.218E-01 0.184E-01 RMM: 4 -0.333310131987E+03 0.29561E-03 -0.80727E-04 4672 0.665E-02 0.132E-01 RMM: 5 -0.333310026008E+03 0.10598E-03 -0.14582E-04 3861 0.330E-02 0.804E-02 RMM: 6 -0.333309987949E+03 0.38059E-04 -0.35652E-05 2904 0.180E-02 0.446E-02 RMM: 7 -0.333309983359E+03 0.45907E-05 -0.19810E-05 2507 0.138E-02 4679 T= 7176. E= 0.67548911E+03 F= 0.62295901E+03 E0= 0.65173285E+03 EK= 0.58434E+02 SP= -.63E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333168584367E+03 0.14140E+00 -0.12775E-01 7624 0.253E+01 0.192E-01 RMM: 2 -0.333181842226E+03 -0.13258E-01 -0.10224E-01 5036 0.780E-01 0.833E-01 RMM: 3 -0.333177196978E+03 0.46452E-02 -0.11206E-02 5815 0.209E-01 0.146E-01 RMM: 4 -0.333176977980E+03 0.21900E-03 -0.63189E-04 4751 0.566E-02 0.121E-01 RMM: 5 -0.333176884585E+03 0.93395E-04 -0.10485E-04 3735 0.293E-02 0.666E-02 RMM: 6 -0.333176864539E+03 0.20045E-04 -0.26755E-05 2593 0.154E-02 0.480E-02 RMM: 7 -0.333176853488E+03 0.11051E-04 -0.31571E-05 2579 0.170E-02 4680 T= 7216. E= 0.67548803E+03 F= 0.62309214E+03 E0= 0.65188040E+03 EK= 0.58766E+02 SP= -.67E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332899557343E+03 0.27731E+00 -0.12765E-01 7752 0.254E+01 0.183E-01 RMM: 2 -0.332913275464E+03 -0.13718E-01 -0.10956E-01 4947 0.809E-01 0.801E-01 RMM: 3 -0.332908960591E+03 0.43149E-02 -0.12203E-02 5935 0.210E-01 0.164E-01 RMM: 4 -0.332908678359E+03 0.28223E-03 -0.66950E-04 4653 0.636E-02 0.129E-01 RMM: 5 -0.332908572861E+03 0.10550E-03 -0.12120E-04 3771 0.312E-02 0.734E-02 RMM: 6 -0.332908546478E+03 0.26382E-04 -0.27552E-05 2640 0.158E-02 0.474E-02 RMM: 7 -0.332908541421E+03 0.50577E-05 -0.21741E-05 2511 0.145E-02 4681 T= 7237. E= 0.67548755E+03 F= 0.62336045E+03 E0= 0.65215782E+03 EK= 0.58934E+02 SP= -.71E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332482743412E+03 0.42580E+00 -0.12584E-01 7864 0.254E+01 0.174E-01 RMM: 2 -0.332495961469E+03 -0.13218E-01 -0.11083E-01 4968 0.797E-01 0.727E-01 RMM: 3 -0.332492227980E+03 0.37335E-02 -0.12136E-02 5961 0.210E-01 0.140E-01 RMM: 4 -0.332491974167E+03 0.25381E-03 -0.55985E-04 4761 0.553E-02 0.112E-01 RMM: 5 -0.332491894291E+03 0.79876E-04 -0.90931E-05 3623 0.279E-02 0.670E-02 RMM: 6 -0.332491875175E+03 0.19116E-04 -0.26036E-05 2570 0.154E-02 4682 T= 7236. E= 0.67548852E+03 F= 0.62377711E+03 E0= 0.65257882E+03 EK= 0.58924E+02 SP= -.75E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331913184024E+03 0.57871E+00 -0.12361E-01 7424 0.253E+01 0.185E-01 RMM: 2 -0.331928778284E+03 -0.15594E-01 -0.11604E-01 4956 0.802E-01 0.882E-01 RMM: 3 -0.331923080421E+03 0.56979E-02 -0.12736E-02 5780 0.224E-01 0.151E-01 RMM: 4 -0.331922830769E+03 0.24965E-03 -0.65282E-04 4833 0.560E-02 0.983E-02 RMM: 5 -0.331922764225E+03 0.66544E-04 -0.85479E-05 3698 0.265E-02 0.645E-02 RMM: 6 -0.331922750692E+03 0.13533E-04 -0.23977E-05 2549 0.147E-02 4683 T= 7212. E= 0.67549065E+03 F= 0.62434624E+03 E0= 0.65314806E+03 EK= 0.58731E+02 SP= -.78E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331198168066E+03 0.72460E+00 -0.11862E-01 7328 0.252E+01 0.269E-01 RMM: 2 -0.331221104455E+03 -0.22936E-01 -0.10635E-01 4968 0.791E-01 0.144E+00 RMM: 3 -0.331206824292E+03 0.14280E-01 -0.13507E-02 5443 0.268E-01 0.273E-01 RMM: 4 -0.331206288954E+03 0.53534E-03 -0.12569E-03 4770 0.752E-02 0.868E-02 RMM: 5 -0.331206259325E+03 0.29629E-04 -0.14561E-04 4006 0.297E-02 0.883E-02 RMM: 6 -0.331206214940E+03 0.44385E-04 -0.27188E-05 2596 0.157E-02 0.533E-02 RMM: 7 -0.331206220732E+03 -0.57919E-05 -0.24082E-05 2570 0.152E-02 4684 T= 7166. E= 0.67549265E+03 F= 0.62506277E+03 E0= 0.65386168E+03 EK= 0.58359E+02 SP= -.81E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330346564428E+03 0.85965E+00 -0.12341E-01 7288 0.251E+01 0.284E-01 RMM: 2 -0.330371180704E+03 -0.24616E-01 -0.11214E-01 4906 0.812E-01 0.151E+00 RMM: 3 -0.330355647581E+03 0.15533E-01 -0.14669E-02 5431 0.278E-01 0.303E-01 RMM: 4 -0.330355040279E+03 0.60730E-03 -0.15297E-03 4980 0.846E-02 0.106E-01 RMM: 5 -0.330355090697E+03 -0.50419E-04 -0.21097E-04 3899 0.340E-02 0.142E-01 RMM: 6 -0.330354952402E+03 0.13830E-03 -0.64725E-05 3400 0.237E-02 0.337E-02 RMM: 7 -0.330354951503E+03 0.89869E-06 -0.17217E-05 2519 0.128E-02 4685 T= 7100. E= 0.67549567E+03 F= 0.62591404E+03 E0= 0.65470893E+03 EK= 0.57822E+02 SP= -.84E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329382572426E+03 0.97238E+00 -0.12493E-01 7360 0.250E+01 0.231E-01 RMM: 2 -0.329402948769E+03 -0.20376E-01 -0.10856E-01 4924 0.789E-01 0.127E+00 RMM: 3 -0.329391676893E+03 0.11272E-01 -0.12636E-02 5540 0.244E-01 0.233E-01 RMM: 4 -0.329391269861E+03 0.40703E-03 -0.98235E-04 4752 0.689E-02 0.890E-02 RMM: 5 -0.329391235304E+03 0.34557E-04 -0.13424E-04 3896 0.293E-02 0.886E-02 RMM: 6 -0.329391185195E+03 0.50109E-04 -0.30367E-05 2732 0.167E-02 0.458E-02 RMM: 7 -0.329391183175E+03 0.20197E-05 -0.19712E-05 2515 0.138E-02 4686 T= 7017. E= 0.67549949E+03 F= 0.62687781E+03 E0= 0.65566674E+03 EK= 0.57146E+02 SP= -.87E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328334245593E+03 0.10569E+01 -0.12550E-01 7456 0.248E+01 0.184E-01 RMM: 2 -0.328349395131E+03 -0.15150E-01 -0.11554E-01 4868 0.807E-01 0.839E-01 RMM: 3 -0.328344300457E+03 0.50947E-02 -0.13335E-02 5722 0.228E-01 0.187E-01 RMM: 4 -0.328343967594E+03 0.33286E-03 -0.74658E-04 4772 0.613E-02 0.830E-02 RMM: 5 -0.328343940644E+03 0.26949E-04 -0.10009E-04 3751 0.274E-02 0.761E-02 RMM: 6 -0.328343907784E+03 0.32861E-04 -0.26857E-05 2584 0.161E-02 0.377E-02 RMM: 7 -0.328343909491E+03 -0.17071E-05 -0.15388E-05 2492 0.125E-02 4687 T= 6921. E= 0.67550337E+03 F= 0.62792508E+03 E0= 0.65670764E+03 EK= 0.56361E+02 SP= -.89E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327236398193E+03 0.11075E+01 -0.13132E-01 7536 0.246E+01 0.195E-01 RMM: 2 -0.327254410176E+03 -0.18012E-01 -0.13943E-01 4818 0.874E-01 0.891E-01 RMM: 3 -0.327248581328E+03 0.58288E-02 -0.16147E-02 5850 0.237E-01 0.189E-01 RMM: 4 -0.327248156996E+03 0.42433E-03 -0.84829E-04 4777 0.679E-02 0.108E-01 RMM: 5 -0.327248109231E+03 0.47765E-04 -0.13078E-04 3831 0.309E-02 0.857E-02 RMM: 6 -0.327248061121E+03 0.48109E-04 -0.33188E-05 2832 0.177E-02 0.360E-02 RMM: 7 -0.327248061110E+03 0.11305E-07 -0.15994E-05 2496 0.124E-02 4688 T= 6816. E= 0.67550775E+03 F= 0.62902093E+03 E0= 0.65779504E+03 EK= 0.55507E+02 SP= -.91E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326135834707E+03 0.11122E+01 -0.12655E-01 7560 0.244E+01 0.186E-01 RMM: 2 -0.326151302723E+03 -0.15468E-01 -0.12136E-01 4850 0.820E-01 0.823E-01 RMM: 3 -0.326146339614E+03 0.49631E-02 -0.13822E-02 5798 0.228E-01 0.165E-01 RMM: 4 -0.326146039213E+03 0.30040E-03 -0.72163E-04 4820 0.600E-02 0.995E-02 RMM: 5 -0.326145991565E+03 0.47648E-04 -0.10500E-04 3736 0.289E-02 0.750E-02 RMM: 6 -0.326145957648E+03 0.33918E-04 -0.29897E-05 2690 0.167E-02 0.388E-02 RMM: 7 -0.326145960438E+03 -0.27900E-05 -0.19014E-05 2513 0.137E-02 4689 T= 6709. E= 0.67551296E+03 F= 0.63012303E+03 E0= 0.65888725E+03 EK= 0.54632E+02 SP= -.93E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325078778327E+03 0.10672E+01 -0.12581E-01 7528 0.242E+01 0.194E-01 RMM: 2 -0.325094577577E+03 -0.15799E-01 -0.11511E-01 4830 0.806E-01 0.906E-01 RMM: 3 -0.325088784209E+03 0.57934E-02 -0.13489E-02 5829 0.223E-01 0.190E-01 RMM: 4 -0.325088412183E+03 0.37203E-03 -0.76306E-04 4704 0.648E-02 0.106E-01 RMM: 5 -0.325088366169E+03 0.46015E-04 -0.12359E-04 3748 0.302E-02 0.825E-02 RMM: 6 -0.325088323700E+03 0.42469E-04 -0.32658E-05 2860 0.177E-02 0.340E-02 RMM: 7 -0.325088324242E+03 -0.54202E-06 -0.14759E-05 2489 0.120E-02 4690 T= 6605. E= 0.67551819E+03 F= 0.63118067E+03 E0= 0.65993097E+03 EK= 0.53789E+02 SP= -.95E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324121470299E+03 0.96685E+00 -0.12377E-01 7608 0.240E+01 0.198E-01 RMM: 2 -0.324137534652E+03 -0.16064E-01 -0.11964E-01 4860 0.815E-01 0.903E-01 RMM: 3 -0.324131779357E+03 0.57553E-02 -0.13756E-02 5752 0.228E-01 0.178E-01 RMM: 4 -0.324131453224E+03 0.32613E-03 -0.79083E-04 4790 0.620E-02 0.104E-01 RMM: 5 -0.324131403042E+03 0.50183E-04 -0.11976E-04 3793 0.294E-02 0.806E-02 RMM: 6 -0.324131361680E+03 0.41362E-04 -0.32798E-05 2857 0.175E-02 0.358E-02 RMM: 7 -0.324131361989E+03 -0.30937E-06 -0.15645E-05 2495 0.124E-02 4691 T= 6513. E= 0.67552415E+03 F= 0.63213763E+03 E0= 0.66087033E+03 EK= 0.53041E+02 SP= -.97E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323330929860E+03 0.80043E+00 -0.11955E-01 7528 0.238E+01 0.211E-01 RMM: 2 -0.323346488096E+03 -0.15558E-01 -0.10110E-01 4982 0.768E-01 0.101E+00 RMM: 3 -0.323339399277E+03 0.70888E-02 -0.11406E-02 5666 0.216E-01 0.205E-01 RMM: 4 -0.323339037024E+03 0.36225E-03 -0.81586E-04 4711 0.640E-02 0.102E-01 RMM: 5 -0.323339001193E+03 0.35830E-04 -0.13037E-04 3835 0.295E-02 0.869E-02 RMM: 6 -0.323338953949E+03 0.47245E-04 -0.33009E-05 2910 0.177E-02 0.362E-02 RMM: 7 -0.323338953249E+03 0.69991E-06 -0.14451E-05 2491 0.117E-02 4692 T= 6441. E= 0.67552939E+03 F= 0.63293004E+03 E0= 0.66164087E+03 EK= 0.52453E+02 SP= -.99E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322761067245E+03 0.57789E+00 -0.12660E-01 7680 0.236E+01 0.219E-01 RMM: 2 -0.322778709869E+03 -0.17643E-01 -0.12383E-01 4883 0.832E-01 0.101E+00 RMM: 3 -0.322771653088E+03 0.70568E-02 -0.14480E-02 5684 0.237E-01 0.200E-01 RMM: 4 -0.322771261770E+03 0.39132E-03 -0.93985E-04 4833 0.656E-02 0.102E-01 RMM: 5 -0.322771224415E+03 0.37355E-04 -0.13727E-04 3887 0.300E-02 0.883E-02 RMM: 6 -0.322771173686E+03 0.50729E-04 -0.35539E-05 2945 0.180E-02 0.348E-02 RMM: 7 -0.322771172896E+03 0.79044E-06 -0.13861E-05 2487 0.118E-02 4693 T= 6397. E= 0.67553355E+03 F= 0.63349782E+03 E0= 0.66218405E+03 EK= 0.52090E+02 SP= -.10E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322467823496E+03 0.30335E+00 -0.12109E-01 7696 0.235E+01 0.227E-01 RMM: 2 -0.322484508793E+03 -0.16685E-01 -0.99177E-02 4993 0.770E-01 0.111E+00 RMM: 3 -0.322476056668E+03 0.84521E-02 -0.11599E-02 5567 0.226E-01 0.221E-01 RMM: 4 -0.322475661311E+03 0.39536E-03 -0.91820E-04 4761 0.653E-02 0.952E-02 RMM: 5 -0.322475637622E+03 0.23688E-04 -0.14174E-04 3881 0.302E-02 0.921E-02 RMM: 6 -0.322475583348E+03 0.54274E-04 -0.35851E-05 2972 0.183E-02 0.369E-02 RMM: 7 -0.322475581518E+03 0.18304E-05 -0.13970E-05 2496 0.116E-02 4694 T= 6385. E= 0.67553616E+03 F= 0.63379341E+03 E0= 0.66245384E+03 EK= 0.52000E+02 SP= -.10E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322469857856E+03 0.57255E-02 -0.12322E-01 7672 0.234E+01 0.226E-01 RMM: 2 -0.322487554122E+03 -0.17696E-01 -0.11786E-01 4869 0.825E-01 0.107E+00 RMM: 3 -0.322479913123E+03 0.76410E-02 -0.14215E-02 5624 0.241E-01 0.220E-01 RMM: 4 -0.322479479526E+03 0.43360E-03 -0.99600E-04 4867 0.660E-02 0.875E-02 RMM: 5 -0.322479460371E+03 0.19156E-04 -0.14150E-04 3904 0.299E-02 4695 T= 6412. E= 0.67553777E+03 F= 0.63378953E+03 E0= 0.66242590E+03 EK= 0.52213E+02 SP= -.11E+02 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322773020628E+03 -0.29354E+00 -0.11412E-01 7704 0.235E+01 0.138E-01 RMM: 2 -0.322784230234E+03 -0.11210E-01 -0.91027E-02 5012 0.720E-01 0.678E-01 RMM: 3 -0.322781150728E+03 0.30795E-02 -0.98995E-03 5909 0.184E-01 0.137E-01 RMM: 4 -0.322780907157E+03 0.24357E-03 -0.42659E-04 4541 0.470E-02 0.849E-02 RMM: 5 -0.322780860811E+03 0.46346E-04 -0.60357E-05 3316 0.225E-02 0.683E-02 RMM: 6 -0.322780844387E+03 0.16424E-04 -0.24342E-05 2536 0.151E-02 4696 T= 6475. E= 0.67553666E+03 F= 0.63348814E+03 E0= 0.66210383E+03 EK= 0.52726E+02 SP= -.11E+02 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323333712842E+03 -0.55285E+00 -0.11669E-01 7544 0.236E+01 0.323E-01 RMM: 2 -0.323364783322E+03 -0.31070E-01 -0.11186E-01 4902 0.828E-01 0.182E+00 RMM: 3 -0.323342300886E+03 0.22482E-01 -0.16171E-02 5395 0.300E-01 0.295E-01 RMM: 4 -0.323341671942E+03 0.62894E-03 -0.16694E-03 4941 0.809E-02 0.844E-02 RMM: 5 -0.323341680844E+03 -0.89014E-05 -0.21037E-04 3930 0.347E-02 0.106E-01 RMM: 6 -0.323341608865E+03 0.71979E-04 -0.45759E-05 3141 0.198E-02 0.411E-02 RMM: 7 -0.323341603940E+03 0.49247E-05 -0.15506E-05 2507 0.123E-02 4697 T= 6569. E= 0.67553229E+03 F= 0.63292739E+03 E0= 0.66152818E+03 EK= 0.53498E+02 SP= -.11E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324084154608E+03 -0.74255E+00 -0.11674E-01 7536 0.239E+01 0.319E-01 RMM: 2 -0.324115669886E+03 -0.31515E-01 -0.10944E-01 4991 0.820E-01 0.184E+00 RMM: 3 -0.324092765853E+03 0.22904E-01 -0.15630E-02 5407 0.293E-01 0.291E-01 RMM: 4 -0.324092193563E+03 0.57229E-03 -0.17391E-03 4912 0.864E-02 0.121E-01 RMM: 5 -0.324092178117E+03 0.15446E-04 -0.23580E-04 3893 0.364E-02 0.125E-01 RMM: 6 -0.324092069047E+03 0.10907E-03 -0.69181E-05 3458 0.239E-02 0.416E-02 RMM: 7 -0.324092062721E+03 0.63255E-05 -0.17478E-05 2520 0.125E-02 4698 T= 6687. E= 0.67552603E+03 F= 0.63217693E+03 E0= 0.66076854E+03 EK= 0.54459E+02 SP= -.11E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324932629732E+03 -0.84056E+00 -0.11727E-01 7752 0.242E+01 0.254E-01 RMM: 2 -0.324953225327E+03 -0.20596E-01 -0.96850E-02 5064 0.758E-01 0.138E+00 RMM: 3 -0.324940423028E+03 0.12802E-01 -0.11698E-02 5430 0.245E-01 0.275E-01 RMM: 4 -0.324939878511E+03 0.54452E-03 -0.11468E-03 4730 0.709E-02 0.823E-02 RMM: 5 -0.324939870463E+03 0.80473E-05 -0.16312E-04 3877 0.319E-02 4699 T= 6817. E= 0.67552005E+03 F= 0.63132912E+03 E0= 0.65991652E+03 EK= 0.55514E+02 SP= -.11E+02 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325778445001E+03 -0.83857E+00 -0.12054E-01 7936 0.245E+01 0.164E-01 RMM: 2 -0.325792257222E+03 -0.13812E-01 -0.99754E-02 5107 0.751E-01 0.838E-01 RMM: 3 -0.325787256382E+03 0.50008E-02 -0.10639E-02 5815 0.195E-01 0.165E-01 RMM: 4 -0.325786966000E+03 0.29038E-03 -0.55490E-04 4518 0.529E-02 0.887E-02 RMM: 5 -0.325786912013E+03 0.53987E-04 -0.78971E-05 3654 0.234E-02 0.727E-02 RMM: 6 -0.325786894993E+03 0.17020E-04 -0.23882E-05 2551 0.146E-02 4700 T= 6945. E= 0.67551439E+03 F= 0.63048209E+03 E0= 0.65906896E+03 EK= 0.56560E+02 SP= -.12E+02 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326533992817E+03 -0.74708E+00 -0.12872E-01 7704 0.248E+01 0.309E-01 RMM: 2 -0.326562029808E+03 -0.28037E-01 -0.12330E-01 5026 0.859E-01 0.164E+00 RMM: 3 -0.326543872991E+03 0.18157E-01 -0.16274E-02 5442 0.290E-01 0.301E-01 RMM: 4 -0.326543210685E+03 0.66231E-03 -0.15694E-03 4919 0.804E-02 0.947E-02 RMM: 5 -0.326543196147E+03 0.14538E-04 -0.21046E-04 3923 0.352E-02 0.105E-01 RMM: 6 -0.326543127072E+03 0.69075E-04 -0.51658E-05 3236 0.212E-02 0.451E-02 RMM: 7 -0.326543122736E+03 0.43355E-05 -0.16588E-05 2510 0.126E-02 4701 T= 7061. E= 0.67550921E+03 F= 0.62972587E+03 E0= 0.65831579E+03 EK= 0.57501E+02 SP= -.12E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327129808721E+03 -0.58668E+00 -0.13438E-01 7592 0.251E+01 0.370E-01 RMM: 2 -0.327167601648E+03 -0.37793E-01 -0.14602E-01 5003 0.956E-01 0.198E+00 RMM: 3 -0.327141383974E+03 0.26218E-01 -0.20074E-02 5405 0.331E-01 0.381E-01 RMM: 4 -0.327140384598E+03 0.99938E-03 -0.23408E-03 5155 0.103E-01 0.133E-01 RMM: 5 -0.327140401456E+03 -0.16858E-04 -0.34768E-04 3933 0.443E-02 0.154E-01 RMM: 6 -0.327140241893E+03 0.15956E-03 -0.10572E-04 3737 0.292E-02 0.422E-02 RMM: 7 -0.327140237588E+03 0.43047E-05 -0.19483E-05 2548 0.123E-02 4702 T= 7155. E= 0.67550669E+03 F= 0.62912875E+03 E0= 0.65772318E+03 EK= 0.58265E+02 SP= -.12E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327533168909E+03 -0.39293E+00 -0.13506E-01 7920 0.253E+01 0.297E-01 RMM: 2 -0.327558225563E+03 -0.25057E-01 -0.12724E-01 4934 0.890E-01 0.147E+00 RMM: 3 -0.327543510328E+03 0.14715E-01 -0.16414E-02 5461 0.290E-01 0.261E-01 RMM: 4 -0.327543017091E+03 0.49324E-03 -0.14195E-03 4924 0.775E-02 0.106E-01 RMM: 5 -0.327542981597E+03 0.35494E-04 -0.19501E-04 3899 0.360E-02 0.105E-01 RMM: 6 -0.327542908979E+03 0.72618E-04 -0.57391E-05 3289 0.221E-02 0.415E-02 RMM: 7 -0.327542910501E+03 -0.15223E-05 -0.20850E-05 2533 0.140E-02 4703 T= 7222. E= 0.67550661E+03 F= 0.62872608E+03 E0= 0.65732769E+03 EK= 0.58811E+02 SP= -.12E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327737878946E+03 -0.19497E+00 -0.14347E-01 7808 0.254E+01 0.238E-01 RMM: 2 -0.327757559055E+03 -0.19680E-01 -0.13818E-01 4800 0.935E-01 0.107E+00 RMM: 3 -0.327749888010E+03 0.76710E-02 -0.17383E-02 5685 0.272E-01 0.230E-01 RMM: 4 -0.327749435421E+03 0.45259E-03 -0.11163E-03 4909 0.749E-02 0.115E-01 RMM: 5 -0.327749365977E+03 0.69444E-04 -0.15701E-04 3911 0.322E-02 0.874E-02 RMM: 6 -0.327749318931E+03 0.47046E-04 -0.37259E-05 2970 0.184E-02 0.392E-02 RMM: 7 -0.327749317673E+03 0.12585E-05 -0.18424E-05 2505 0.133E-02 4704 T= 7261. E= 0.67550868E+03 F= 0.62851967E+03 E0= 0.65713042E+03 EK= 0.59133E+02 SP= -.12E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327778258019E+03 -0.28939E-01 -0.14310E-01 7904 0.254E+01 0.222E-01 RMM: 2 -0.327796250122E+03 -0.17992E-01 -0.13151E-01 4761 0.908E-01 0.984E-01 RMM: 3 -0.327789721122E+03 0.65290E-02 -0.16907E-02 5729 0.267E-01 0.192E-01 RMM: 4 -0.327789391402E+03 0.32972E-03 -0.94589E-04 4845 0.698E-02 0.123E-01 RMM: 5 -0.327789318970E+03 0.72432E-04 -0.14401E-04 3876 0.323E-02 0.943E-02 RMM: 6 -0.327789263558E+03 0.55412E-04 -0.42355E-05 3065 0.195E-02 0.396E-02 RMM: 7 -0.327789262179E+03 0.13789E-05 -0.23120E-05 2528 0.148E-02 4705 T= 7277. E= 0.67551205E+03 F= 0.62847973E+03 E0= 0.65710212E+03 EK= 0.59258E+02 SP= -.12E+02 SK= 0.68E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327703524761E+03 0.85739E-01 -0.14114E-01 7976 0.254E+01 0.208E-01 RMM: 2 -0.327719610888E+03 -0.16086E-01 -0.11926E-01 4816 0.861E-01 0.918E-01 RMM: 3 -0.327713936686E+03 0.56742E-02 -0.15186E-02 5764 0.249E-01 0.194E-01 RMM: 4 -0.327713618882E+03 0.31780E-03 -0.80784E-04 4773 0.668E-02 0.117E-01 RMM: 5 -0.327713538395E+03 0.80488E-04 -0.12010E-04 3799 0.303E-02 0.802E-02 RMM: 6 -0.327713502944E+03 0.35451E-04 -0.32357E-05 2847 0.175E-02 0.418E-02 RMM: 7 -0.327713504364E+03 -0.14193E-05 -0.23482E-05 2534 0.148E-02 4706 T= 7274. E= 0.67551591E+03 F= 0.62855548E+03 E0= 0.65719032E+03 EK= 0.59234E+02 SP= -.12E+02 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327569803384E+03 0.14370E+00 -0.14416E-01 7968 0.254E+01 0.179E-01 RMM: 2 -0.327584810511E+03 -0.15007E-01 -0.12809E-01 4798 0.877E-01 0.720E-01 RMM: 3 -0.327581081631E+03 0.37289E-02 -0.15735E-02 5832 0.246E-01 0.150E-01 RMM: 4 -0.327580878170E+03 0.20346E-03 -0.70143E-04 4744 0.632E-02 0.129E-01 RMM: 5 -0.327580779880E+03 0.98290E-04 -0.11235E-04 3717 0.310E-02 0.759E-02 RMM: 6 -0.327580747676E+03 0.32205E-04 -0.32057E-05 2755 0.173E-02 0.394E-02 RMM: 7 -0.327580745879E+03 0.17974E-05 -0.25760E-05 2531 0.156E-02 4707 T= 7260. E= 0.67551942E+03 F= 0.62868824E+03 E0= 0.65733613E+03 EK= 0.59120E+02 SP= -.12E+02 SK= 0.17E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.327437524353E+03 0.14322E+00 -0.13589E-01 7944 0.253E+01 0.169E-01 RMM: 2 -0.327450128954E+03 -0.12605E-01 -0.10636E-01 5055 0.783E-01 0.686E-01 RMM: 3 -0.327446628561E+03 0.35004E-02 -0.12117E-02 5859 0.215E-01 0.151E-01 RMM: 4 -0.327446449294E+03 0.17927E-03 -0.54529E-04 4675 0.563E-02 0.117E-01 RMM: 5 -0.327446357662E+03 0.91632E-04 -0.88646E-05 3586 0.279E-02 0.650E-02 RMM: 6 -0.327446337685E+03 0.19977E-04 -0.25455E-05 2579 0.154E-02 4708 T= 7242. E= 0.67552306E+03 F= 0.62882265E+03 E0= 0.65748209E+03 EK= 0.58972E+02 SP= -.12E+02 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327346903973E+03 0.99454E-01 -0.13622E-01 7640 0.253E+01 0.206E-01 RMM: 2 -0.327366132388E+03 -0.19228E-01 -0.11899E-01 5101 0.818E-01 0.110E+00 RMM: 3 -0.327357147638E+03 0.89847E-02 -0.13919E-02 5481 0.243E-01 0.198E-01 RMM: 4 -0.327356842019E+03 0.30562E-03 -0.84402E-04 4736 0.629E-02 0.861E-02 RMM: 5 -0.327356789251E+03 0.52767E-04 -0.10160E-04 3860 0.278E-02 0.665E-02 RMM: 6 -0.327356772399E+03 0.16852E-04 -0.26325E-05 2564 0.154E-02 4709 T= 7225. E= 0.67552565E+03 F= 0.62891222E+03 E0= 0.65758203E+03 EK= 0.58837E+02 SP= -.12E+02 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327334729064E+03 0.22060E-01 -0.13136E-01 7672 0.253E+01 0.298E-01 RMM: 2 -0.327363464081E+03 -0.28735E-01 -0.10733E-01 5048 0.808E-01 0.171E+00 RMM: 3 -0.327343323802E+03 0.20140E-01 -0.14880E-02 5362 0.283E-01 0.308E-01 RMM: 4 -0.327342631287E+03 0.69251E-03 -0.14498E-03 4810 0.815E-02 0.847E-02 RMM: 5 -0.327342609638E+03 0.21649E-04 -0.16211E-04 3932 0.309E-02 0.926E-02 RMM: 6 -0.327342559013E+03 0.50625E-04 -0.32284E-05 2785 0.175E-02 0.499E-02 RMM: 7 -0.327342563618E+03 -0.46042E-05 -0.23976E-05 2551 0.151E-02 4710 T= 7214. E= 0.67552710E+03 F= 0.62892643E+03 E0= 0.65760403E+03 EK= 0.58744E+02 SP= -.12E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327412531130E+03 -0.69972E-01 -0.12912E-01 7584 0.253E+01 0.319E-01 RMM: 2 -0.327442126422E+03 -0.29595E-01 -0.11204E-01 5013 0.825E-01 0.174E+00 RMM: 3 -0.327421440691E+03 0.20686E-01 -0.15763E-02 5369 0.293E-01 0.349E-01 RMM: 4 -0.327420623904E+03 0.81679E-03 -0.17853E-03 4937 0.911E-02 0.103E-01 RMM: 5 -0.327420671458E+03 -0.47554E-04 -0.24937E-04 3908 0.383E-02 0.144E-01 RMM: 6 -0.327420532866E+03 0.13859E-03 -0.75046E-05 3488 0.255E-02 0.350E-02 RMM: 7 -0.327420531605E+03 0.12609E-05 -0.18117E-05 2522 0.127E-02 4711 T= 7210. E= 0.67552740E+03 F= 0.62884846E+03 E0= 0.65753211E+03 EK= 0.58713E+02 SP= -.12E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327582709355E+03 -0.16218E+00 -0.13100E-01 7704 0.253E+01 0.265E-01 RMM: 2 -0.327604827927E+03 -0.22119E-01 -0.11310E-01 5087 0.826E-01 0.137E+00 RMM: 3 -0.327591840797E+03 0.12987E-01 -0.13240E-02 5433 0.256E-01 0.258E-01 RMM: 4 -0.327591354311E+03 0.48649E-03 -0.11378E-03 4733 0.720E-02 0.921E-02 RMM: 5 -0.327591322340E+03 0.31971E-04 -0.16018E-04 3890 0.329E-02 0.961E-02 RMM: 6 -0.327591259942E+03 0.62399E-04 -0.41492E-05 3040 0.189E-02 0.464E-02 RMM: 7 -0.327591257480E+03 0.24613E-05 -0.22630E-05 2524 0.147E-02 4712 T= 7214. E= 0.67552722E+03 F= 0.62867773E+03 E0= 0.65736475E+03 EK= 0.58744E+02 SP= -.12E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327834773399E+03 -0.24351E+00 -0.12779E-01 7552 0.253E+01 0.244E-01 RMM: 2 -0.327853997580E+03 -0.19224E-01 -0.11736E-01 4989 0.851E-01 0.119E+00 RMM: 3 -0.327844566209E+03 0.94314E-02 -0.13774E-02 5546 0.249E-01 0.236E-01 RMM: 4 -0.327844109373E+03 0.45684E-03 -0.10306E-03 4798 0.687E-02 0.882E-02 RMM: 5 -0.327844084982E+03 0.24391E-04 -0.14712E-04 3885 0.320E-02 0.897E-02 RMM: 6 -0.327844036487E+03 0.48495E-04 -0.37273E-05 2973 0.182E-02 0.418E-02 RMM: 7 -0.327844036580E+03 -0.93351E-07 -0.18843E-05 2513 0.135E-02 4713 T= 7224. E= 0.67552567E+03 F= 0.62842495E+03 E0= 0.65711324E+03 EK= 0.58824E+02 SP= -.12E+02 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328145929373E+03 -0.30189E+00 -0.12769E-01 7624 0.254E+01 0.233E-01 RMM: 2 -0.328164551278E+03 -0.18622E-01 -0.13215E-01 4939 0.899E-01 0.106E+00 RMM: 3 -0.328157068151E+03 0.74831E-02 -0.14904E-02 5685 0.245E-01 0.215E-01 RMM: 4 -0.328156635198E+03 0.43295E-03 -0.98617E-04 4797 0.700E-02 0.114E-01 RMM: 5 -0.328156573721E+03 0.61476E-04 -0.15976E-04 3881 0.329E-02 0.904E-02 RMM: 6 -0.328156521858E+03 0.51863E-04 -0.42824E-05 3078 0.192E-02 0.407E-02 RMM: 7 -0.328156518949E+03 0.29088E-05 -0.19940E-05 2505 0.139E-02 4714 T= 7237. E= 0.67552361E+03 F= 0.62811247E+03 E0= 0.65679986E+03 EK= 0.58933E+02 SP= -.12E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328486288939E+03 -0.32977E+00 -0.11638E-01 7640 0.254E+01 0.235E-01 RMM: 2 -0.328504608858E+03 -0.18320E-01 -0.12397E-01 5016 0.876E-01 0.110E+00 RMM: 3 -0.328496735644E+03 0.78732E-02 -0.14032E-02 5612 0.241E-01 0.224E-01 RMM: 4 -0.328496291965E+03 0.44368E-03 -0.98203E-04 4847 0.682E-02 0.973E-02 RMM: 5 -0.328496247385E+03 0.44580E-04 -0.14675E-04 3901 0.313E-02 0.892E-02 RMM: 6 -0.328496200501E+03 0.46884E-04 -0.40539E-05 3039 0.189E-02 0.439E-02 RMM: 7 -0.328496197911E+03 0.25898E-05 -0.25946E-05 2541 0.154E-02 4715 T= 7250. E= 0.67552056E+03 F= 0.62777279E+03 E0= 0.65645751E+03 EK= 0.59037E+02 SP= -.11E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328809737148E+03 -0.31354E+00 -0.12407E-01 7736 0.254E+01 0.226E-01 RMM: 2 -0.328827504955E+03 -0.17768E-01 -0.12309E-01 4950 0.872E-01 0.105E+00 RMM: 3 -0.328820181681E+03 0.73233E-02 -0.14215E-02 5723 0.236E-01 0.215E-01 RMM: 4 -0.328819735650E+03 0.44603E-03 -0.92440E-04 4737 0.693E-02 0.104E-01 RMM: 5 -0.328819683506E+03 0.52144E-04 -0.14369E-04 3882 0.310E-02 0.820E-02 RMM: 6 -0.328819643527E+03 0.39979E-04 -0.34255E-05 2906 0.177E-02 0.378E-02 RMM: 7 -0.328819642544E+03 0.98224E-06 -0.17679E-05 2494 0.132E-02 4716 T= 7256. E= 0.67551694E+03 F= 0.62744935E+03 E0= 0.65612992E+03 EK= 0.59091E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329066337098E+03 -0.24669E+00 -0.12483E-01 7672 0.255E+01 0.194E-01 RMM: 2 -0.329080295009E+03 -0.13958E-01 -0.11068E-01 5037 0.814E-01 0.835E-01 RMM: 3 -0.329075771805E+03 0.45232E-02 -0.12278E-02 5813 0.211E-01 0.171E-01 RMM: 4 -0.329075458441E+03 0.31336E-03 -0.69309E-04 4755 0.609E-02 0.112E-01 RMM: 5 -0.329075382076E+03 0.76366E-04 -0.11337E-04 3806 0.285E-02 0.773E-02 RMM: 6 -0.329075348239E+03 0.33837E-04 -0.30084E-05 2758 0.167E-02 0.404E-02 RMM: 7 -0.329075342904E+03 0.53350E-05 -0.22987E-05 2515 0.144E-02 4717 T= 7251. E= 0.67551296E+03 F= 0.62719365E+03 E0= 0.65586952E+03 EK= 0.59045E+02 SP= -.11E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329196390694E+03 -0.12104E+00 -0.12636E-01 7648 0.255E+01 0.191E-01 RMM: 2 -0.329211231724E+03 -0.14841E-01 -0.11199E-01 4869 0.825E-01 0.873E-01 RMM: 3 -0.329206118881E+03 0.51128E-02 -0.13356E-02 5868 0.221E-01 0.176E-01 RMM: 4 -0.329205760653E+03 0.35823E-03 -0.70911E-04 4722 0.633E-02 0.100E-01 RMM: 5 -0.329205700805E+03 0.59848E-04 -0.11122E-04 3760 0.290E-02 0.692E-02 RMM: 6 -0.329205674750E+03 0.26055E-04 -0.27399E-05 2591 0.158E-02 0.378E-02 RMM: 7 -0.329205674367E+03 0.38337E-06 -0.19152E-05 2505 0.135E-02 4718 T= 7226. E= 0.67550882E+03 F= 0.62706331E+03 E0= 0.65573408E+03 EK= 0.58842E+02 SP= -.11E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329142928453E+03 0.62746E-01 -0.12509E-01 7568 0.255E+01 0.174E-01 RMM: 2 -0.329155040097E+03 -0.12112E-01 -0.10279E-01 4926 0.792E-01 0.694E-01 RMM: 3 -0.329151850651E+03 0.31894E-02 -0.12091E-02 5923 0.206E-01 0.140E-01 RMM: 4 -0.329151618528E+03 0.23212E-03 -0.58976E-04 4688 0.582E-02 0.121E-01 RMM: 5 -0.329151531336E+03 0.87192E-04 -0.98807E-05 3670 0.291E-02 0.682E-02 RMM: 6 -0.329151504710E+03 0.26626E-04 -0.27016E-05 2608 0.161E-02 0.353E-02 RMM: 7 -0.329151502233E+03 0.24779E-05 -0.21332E-05 2514 0.136E-02 4719 T= 7175. E= 0.67550521E+03 F= 0.62711749E+03 E0= 0.65578414E+03 EK= 0.58426E+02 SP= -.10E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328852877264E+03 0.29863E+00 -0.12552E-01 7384 0.255E+01 0.165E-01 RMM: 2 -0.328865347967E+03 -0.12471E-01 -0.98080E-02 4801 0.767E-01 0.744E-01 RMM: 3 -0.328861424297E+03 0.39237E-02 -0.11769E-02 5810 0.210E-01 0.150E-01 RMM: 4 -0.328861191849E+03 0.23245E-03 -0.58742E-04 4644 0.597E-02 0.105E-01 RMM: 5 -0.328861119100E+03 0.72749E-04 -0.90661E-05 3562 0.280E-02 0.604E-02 RMM: 6 -0.328861101598E+03 0.17502E-04 -0.24845E-05 2548 0.151E-02 4720 T= 7092. E= 0.67550376E+03 F= 0.62740789E+03 E0= 0.65607107E+03 EK= 0.57751E+02 SP= -.99E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328294776688E+03 0.56634E+00 -0.12345E-01 7344 0.254E+01 0.180E-01 RMM: 2 -0.328307857232E+03 -0.13081E-01 -0.86522E-02 4926 0.713E-01 0.892E-01 RMM: 3 -0.328302155394E+03 0.57018E-02 -0.99893E-03 5505 0.211E-01 0.189E-01 RMM: 4 -0.328301898037E+03 0.25736E-03 -0.62721E-04 4661 0.557E-02 0.820E-02 RMM: 5 -0.328301851046E+03 0.46991E-04 -0.80799E-05 3589 0.254E-02 0.661E-02 RMM: 6 -0.328301831772E+03 0.19274E-04 -0.25491E-05 2557 0.153E-02 4721 T= 6974. E= 0.67550389E+03 F= 0.62796716E+03 E0= 0.65662744E+03 EK= 0.56790E+02 SP= -.95E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327457660961E+03 0.84419E+00 -0.12337E-01 7320 0.253E+01 0.307E-01 RMM: 2 -0.327487015577E+03 -0.29355E-01 -0.83814E-02 4889 0.746E-01 0.180E+00 RMM: 3 -0.327464095942E+03 0.22920E-01 -0.13453E-02 5350 0.285E-01 0.296E-01 RMM: 4 -0.327463451704E+03 0.64424E-03 -0.14190E-03 4883 0.809E-02 0.811E-02 RMM: 5 -0.327463427221E+03 0.24483E-04 -0.14869E-04 3964 0.284E-02 0.869E-02 RMM: 6 -0.327463383553E+03 0.43668E-04 -0.30018E-05 2752 0.170E-02 0.455E-02 RMM: 7 -0.327463393113E+03 -0.95594E-05 -0.24154E-05 2547 0.148E-02 4722 T= 6820. E= 0.67550575E+03 F= 0.62880560E+03 E0= 0.65746261E+03 EK= 0.55539E+02 SP= -.92E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326361902767E+03 0.11015E+01 -0.12296E-01 7224 0.251E+01 0.288E-01 RMM: 2 -0.326384458921E+03 -0.22556E-01 -0.82943E-02 4856 0.725E-01 0.153E+00 RMM: 3 -0.326368264920E+03 0.16194E-01 -0.12550E-02 5342 0.270E-01 0.304E-01 RMM: 4 -0.326367705348E+03 0.55957E-03 -0.14527E-03 4960 0.841E-02 0.126E-01 RMM: 5 -0.326367736846E+03 -0.31498E-04 -0.22356E-04 3894 0.377E-02 0.150E-01 RMM: 6 -0.326367585924E+03 0.15092E-03 -0.73794E-05 3474 0.260E-02 0.361E-02 RMM: 7 -0.326367581242E+03 0.46819E-05 -0.15266E-05 2514 0.117E-02 4723 T= 6635. E= 0.67551025E+03 F= 0.62990141E+03 E0= 0.65855441E+03 EK= 0.54032E+02 SP= -.88E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325064416924E+03 0.13032E+01 -0.12130E-01 7336 0.248E+01 0.247E-01 RMM: 2 -0.325083115974E+03 -0.18699E-01 -0.92941E-02 4931 0.752E-01 0.128E+00 RMM: 3 -0.325071973376E+03 0.11143E-01 -0.11801E-02 5402 0.244E-01 0.254E-01 RMM: 4 -0.325071530645E+03 0.44273E-03 -0.10069E-03 4689 0.680E-02 0.893E-02 RMM: 5 -0.325071485904E+03 0.44741E-04 -0.13648E-04 3885 0.311E-02 0.850E-02 RMM: 6 -0.325071435984E+03 0.49919E-04 -0.37378E-05 2957 0.182E-02 0.424E-02 RMM: 7 -0.325071437420E+03 -0.14358E-05 -0.25250E-05 2544 0.151E-02 4724 T= 6427. E= 0.67551766E+03 F= 0.63119755E+03 E0= 0.65984302E+03 EK= 0.52334E+02 SP= -.83E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323661416165E+03 0.14100E+01 -0.11190E-01 7352 0.245E+01 0.214E-01 RMM: 2 -0.323675073364E+03 -0.13657E-01 -0.89180E-02 4938 0.737E-01 0.970E-01 RMM: 3 -0.323668683704E+03 0.63897E-02 -0.10564E-02 5526 0.219E-01 0.188E-01 RMM: 4 -0.323668431636E+03 0.25207E-03 -0.76898E-04 4687 0.601E-02 0.958E-02 RMM: 5 -0.323668400791E+03 0.30845E-04 -0.10866E-04 3741 0.276E-02 0.850E-02 RMM: 6 -0.323668356582E+03 0.44209E-04 -0.30356E-05 2829 0.170E-02 0.351E-02 RMM: 7 -0.323668358735E+03 -0.21530E-05 -0.14622E-05 2497 0.121E-02 4725 T= 6207. E= 0.67552671E+03 F= 0.63260063E+03 E0= 0.66123643E+03 EK= 0.50547E+02 SP= -.79E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322272280528E+03 0.13961E+01 -0.11185E-01 7504 0.241E+01 0.217E-01 RMM: 2 -0.322286833265E+03 -0.14553E-01 -0.10843E-01 4834 0.808E-01 0.884E-01 RMM: 3 -0.322281352063E+03 0.54812E-02 -0.12938E-02 5684 0.229E-01 0.197E-01 RMM: 4 -0.322281022555E+03 0.32951E-03 -0.85521E-04 4724 0.658E-02 0.118E-01 RMM: 5 -0.322280957533E+03 0.65023E-04 -0.13976E-04 3819 0.305E-02 0.934E-02 RMM: 6 -0.322280901405E+03 0.56128E-04 -0.40450E-05 3049 0.189E-02 0.365E-02 RMM: 7 -0.322280899648E+03 0.17568E-05 -0.16721E-05 2493 0.127E-02 4726 T= 5993. E= 0.67553704E+03 F= 0.63398809E+03 E0= 0.66261063E+03 EK= 0.48800E+02 SP= -.75E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321042570598E+03 0.12383E+01 -0.10837E-01 7400 0.236E+01 0.243E-01 RMM: 2 -0.321058482523E+03 -0.15912E-01 -0.89452E-02 5123 0.745E-01 0.114E+00 RMM: 3 -0.321049600129E+03 0.88824E-02 -0.10121E-02 5465 0.222E-01 0.233E-01 RMM: 4 -0.321049214106E+03 0.38602E-03 -0.92389E-04 4701 0.645E-02 0.839E-02 RMM: 5 -0.321049198147E+03 0.15959E-04 -0.13135E-04 3874 0.283E-02 4727 T= 5801. E= 0.67554855E+03 F= 0.63521979E+03 E0= 0.66382687E+03 EK= 0.47241E+02 SP= -.72E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320105040590E+03 0.94417E+00 -0.10704E-01 7464 0.232E+01 0.174E-01 RMM: 2 -0.320117318953E+03 -0.12278E-01 -0.92552E-02 5074 0.736E-01 0.784E-01 RMM: 3 -0.320113046935E+03 0.42720E-02 -0.10029E-02 5782 0.191E-01 0.205E-01 RMM: 4 -0.320112638849E+03 0.40809E-03 -0.58282E-04 4527 0.545E-02 0.812E-02 RMM: 5 -0.320112600227E+03 0.38621E-04 -0.84658E-05 3688 0.232E-02 0.796E-02 RMM: 6 -0.320112572348E+03 0.27880E-04 -0.25620E-05 2567 0.154E-02 0.598E-02 RMM: 7 -0.320112595126E+03 -0.22778E-04 -0.80977E-05 3866 0.225E-02 0.101E-01 RMM: 8 -0.320112525431E+03 0.69695E-04 -0.10104E-04 3904 0.244E-02 0.324E-02 RMM: 9 -0.320112521532E+03 0.38995E-05 -0.14469E-05 2493 0.114E-02 4728 T= 5650. E= 0.67555809E+03 F= 0.63615647E+03 E0= 0.66474660E+03 EK= 0.46007E+02 SP= -.68E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319579105503E+03 0.53342E+00 -0.10179E-01 7544 0.229E+01 0.264E-01 RMM: 2 -0.319592248215E+03 -0.13143E-01 -0.90617E-02 4977 0.752E-01 0.970E-01 RMM: 3 -0.319585909639E+03 0.63386E-02 -0.10424E-02 5545 0.214E-01 0.203E-01 RMM: 4 -0.319585826141E+03 0.83499E-04 -0.10529E-03 4661 0.734E-02 0.205E-01 RMM: 5 -0.319585634296E+03 0.19184E-03 -0.23458E-04 3880 0.378E-02 0.129E-01 RMM: 6 -0.319585523573E+03 0.11072E-03 -0.85486E-05 3586 0.275E-02 0.297E-02 RMM: 7 -0.319585527339E+03 -0.37663E-05 -0.18025E-05 2534 0.126E-02 4729 T= 5552. E= 0.67556355E+03 F= 0.63668346E+03 E0= 0.66525544E+03 EK= 0.45215E+02 SP= -.65E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319533378530E+03 0.52145E-01 -0.98335E-02 7496 0.227E+01 0.174E-01 RMM: 2 -0.319544423767E+03 -0.11045E-01 -0.74382E-02 5118 0.663E-01 0.859E-01 RMM: 3 -0.319539547649E+03 0.48761E-02 -0.79520E-03 5638 0.182E-01 0.185E-01 RMM: 4 -0.319539254910E+03 0.29274E-03 -0.56885E-04 4712 0.508E-02 0.622E-02 RMM: 5 -0.319539232503E+03 0.22407E-04 -0.75286E-05 3562 0.224E-02 0.644E-02 RMM: 6 -0.319539210762E+03 0.21741E-04 -0.21431E-05 2556 0.141E-02 0.406E-02 RMM: 7 -0.319539213190E+03 -0.24281E-05 -0.20982E-05 2530 0.135E-02 4730 T= 5518. E= 0.67556517E+03 F= 0.63672978E+03 E0= 0.66528231E+03 EK= 0.44933E+02 SP= -.62E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319983831604E+03 -0.44462E+00 -0.10421E-01 7672 0.227E+01 0.180E-01 RMM: 2 -0.319995657239E+03 -0.11826E-01 -0.82458E-02 4962 0.695E-01 0.841E-01 RMM: 3 -0.319990819041E+03 0.48382E-02 -0.93329E-03 5624 0.193E-01 0.179E-01 RMM: 4 -0.319990550202E+03 0.26884E-03 -0.63939E-04 4714 0.546E-02 0.781E-02 RMM: 5 -0.319990529581E+03 0.20621E-04 -0.99526E-05 3699 0.254E-02 0.742E-02 RMM: 6 -0.319990494216E+03 0.35364E-04 -0.27468E-05 2726 0.162E-02 0.302E-02 RMM: 7 -0.319990496017E+03 -0.18012E-05 -0.16550E-05 2496 0.125E-02 4731 T= 5548. E= 0.67556248E+03 F= 0.63627849E+03 E0= 0.66481037E+03 EK= 0.45176E+02 SP= -.60E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320894816683E+03 -0.90432E+00 -0.10183E-01 7760 0.227E+01 0.184E-01 RMM: 2 -0.320906662827E+03 -0.11846E-01 -0.82149E-02 4931 0.695E-01 0.860E-01 RMM: 3 -0.320901681433E+03 0.49814E-02 -0.94506E-03 5699 0.193E-01 0.170E-01 RMM: 4 -0.320901425328E+03 0.25610E-03 -0.63156E-04 4700 0.554E-02 0.825E-02 RMM: 5 -0.320901399775E+03 0.25553E-04 -0.98070E-05 3655 0.252E-02 0.776E-02 RMM: 6 -0.320901361113E+03 0.38662E-04 -0.28713E-05 2735 0.168E-02 0.300E-02 RMM: 7 -0.320901361355E+03 -0.24157E-06 -0.14070E-05 2486 0.115E-02 4732 T= 5637. E= 0.67555689E+03 F= 0.63536763E+03 E0= 0.66387797E+03 EK= 0.45906E+02 SP= -.58E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322185603399E+03 -0.12842E+01 -0.10488E-01 7616 0.229E+01 0.149E-01 RMM: 2 -0.322195392406E+03 -0.97890E-02 -0.81354E-02 4923 0.682E-01 0.630E-01 RMM: 3 -0.322192622819E+03 0.27696E-02 -0.92615E-03 5924 0.177E-01 0.132E-01 RMM: 4 -0.322192425939E+03 0.19688E-03 -0.44342E-04 4467 0.494E-02 0.959E-02 RMM: 5 -0.322192358437E+03 0.67502E-04 -0.70905E-05 3451 0.236E-02 0.549E-02 RMM: 6 -0.322192344457E+03 0.13980E-04 -0.22296E-05 2535 0.142E-02 4733 T= 5776. E= 0.67554943E+03 F= 0.63407664E+03 E0= 0.66256442E+03 EK= 0.47039E+02 SP= -.56E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323751725151E+03 -0.15594E+01 -0.10475E-01 7416 0.232E+01 0.198E-01 RMM: 2 -0.323765603912E+03 -0.13879E-01 -0.82491E-02 4958 0.686E-01 0.100E+00 RMM: 3 -0.323758601399E+03 0.70025E-02 -0.95952E-03 5528 0.205E-01 0.179E-01 RMM: 4 -0.323758345990E+03 0.25541E-03 -0.73829E-04 4723 0.570E-02 0.832E-02 RMM: 5 -0.323758306925E+03 0.39065E-04 -0.10159E-04 3770 0.254E-02 0.686E-02 RMM: 6 -0.323758280613E+03 0.26312E-04 -0.25699E-05 2617 0.155E-02 0.413E-02 RMM: 7 -0.323758285362E+03 -0.47491E-05 -0.19304E-05 2520 0.134E-02 4734 T= 5952. E= 0.67554103E+03 F= 0.63251070E+03 E0= 0.66097700E+03 EK= 0.48467E+02 SP= -.55E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325478711817E+03 -0.17204E+01 -0.10557E-01 7384 0.235E+01 0.227E-01 RMM: 2 -0.325494856496E+03 -0.16145E-01 -0.94647E-02 4893 0.754E-01 0.110E+00 RMM: 3 -0.325486629020E+03 0.82275E-02 -0.11639E-02 5558 0.223E-01 0.218E-01 RMM: 4 -0.325486275061E+03 0.35396E-03 -0.10092E-03 4680 0.705E-02 0.111E-01 RMM: 5 -0.325486226883E+03 0.48177E-04 -0.15968E-04 3852 0.324E-02 0.888E-02 RMM: 6 -0.325486174402E+03 0.52482E-04 -0.36331E-05 2963 0.183E-02 0.299E-02 RMM: 7 -0.325486175148E+03 -0.74656E-06 -0.16019E-05 2492 0.126E-02 4735 T= 6149. E= 0.67553308E+03 F= 0.63078281E+03 E0= 0.65923033E+03 EK= 0.50073E+02 SP= -.54E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327263931983E+03 -0.17778E+01 -0.10644E-01 7400 0.238E+01 0.178E-01 RMM: 2 -0.327276581309E+03 -0.12649E-01 -0.91836E-02 4940 0.727E-01 0.828E-01 RMM: 3 -0.327271876750E+03 0.47046E-02 -0.10660E-02 5685 0.199E-01 0.154E-01 RMM: 4 -0.327271644894E+03 0.23186E-03 -0.61611E-04 4663 0.557E-02 0.997E-02 RMM: 5 -0.327271572853E+03 0.72041E-04 -0.96668E-05 3656 0.268E-02 0.664E-02 RMM: 6 -0.327271546712E+03 0.26140E-04 -0.26667E-05 2604 0.155E-02 0.382E-02 RMM: 7 -0.327271540621E+03 0.60913E-05 -0.23774E-05 2516 0.147E-02 4736 T= 6354. E= 0.67552595E+03 F= 0.62899745E+03 E0= 0.65743057E+03 EK= 0.51747E+02 SP= -.52E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329017913833E+03 -0.17464E+01 -0.10641E-01 7472 0.242E+01 0.177E-01 RMM: 2 -0.329030572386E+03 -0.12659E-01 -0.98706E-02 4900 0.753E-01 0.776E-01 RMM: 3 -0.329026523818E+03 0.40486E-02 -0.11631E-02 5829 0.199E-01 0.155E-01 RMM: 4 -0.329026243364E+03 0.28045E-03 -0.61586E-04 4683 0.573E-02 0.988E-02 RMM: 5 -0.329026179744E+03 0.63620E-04 -0.98103E-05 3655 0.277E-02 0.619E-02 RMM: 6 -0.329026158306E+03 0.21438E-04 -0.25383E-05 2574 0.152E-02 0.356E-02 RMM: 7 -0.329026154064E+03 0.42425E-05 -0.20435E-05 2499 0.140E-02 4737 T= 6557. E= 0.67552023E+03 F= 0.62724284E+03 E0= 0.65566794E+03 EK= 0.53393E+02 SP= -.51E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330674933313E+03 -0.16488E+01 -0.11264E-01 7560 0.244E+01 0.150E-01 RMM: 2 -0.330685604568E+03 -0.10671E-01 -0.97470E-02 4934 0.751E-01 0.555E-01 RMM: 3 -0.330683446972E+03 0.21576E-02 -0.10591E-02 5948 0.184E-01 0.117E-01 RMM: 4 -0.330683277962E+03 0.16901E-03 -0.51066E-04 4467 0.563E-02 0.122E-01 RMM: 5 -0.330683167276E+03 0.11069E-03 -0.87553E-05 3556 0.280E-02 0.517E-02 RMM: 6 -0.330683155148E+03 0.12127E-04 -0.21630E-05 2528 0.134E-02 4738 T= 6746. E= 0.67551646E+03 F= 0.62558583E+03 E0= 0.65400937E+03 EK= 0.54938E+02 SP= -.50E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332188229360E+03 -0.15051E+01 -0.10983E-01 7360 0.247E+01 0.165E-01 RMM: 2 -0.332201399617E+03 -0.13170E-01 -0.99714E-02 4896 0.757E-01 0.798E-01 RMM: 3 -0.332197009291E+03 0.43903E-02 -0.11621E-02 5748 0.202E-01 0.147E-01 RMM: 4 -0.332196741714E+03 0.26758E-03 -0.56904E-04 4750 0.535E-02 0.781E-02 RMM: 5 -0.332196689071E+03 0.52643E-04 -0.78579E-05 3570 0.257E-02 0.550E-02 RMM: 6 -0.332196677759E+03 0.11312E-04 -0.23562E-05 2530 0.144E-02 4739 T= 6917. E= 0.67551436E+03 F= 0.62407231E+03 E0= 0.65250010E+03 EK= 0.56328E+02 SP= -.49E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333530644335E+03 -0.13340E+01 -0.10449E-01 7232 0.249E+01 0.251E-01 RMM: 2 -0.333553234383E+03 -0.22590E-01 -0.98482E-02 4941 0.775E-01 0.145E+00 RMM: 3 -0.333538768306E+03 0.14466E-01 -0.12650E-02 5414 0.248E-01 0.208E-01 RMM: 4 -0.333538456447E+03 0.31186E-03 -0.11355E-03 4719 0.695E-02 0.918E-02 RMM: 5 -0.333538409028E+03 0.47419E-04 -0.14431E-04 3979 0.300E-02 0.778E-02 RMM: 6 -0.333538372149E+03 0.36879E-04 -0.28976E-05 2613 0.162E-02 0.409E-02 RMM: 7 -0.333538372917E+03 -0.76792E-06 -0.21487E-05 2516 0.146E-02 4740 T= 7064. E= 0.67551265E+03 F= 0.62273062E+03 E0= 0.65116740E+03 EK= 0.57527E+02 SP= -.48E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334683563370E+03 -0.11452E+01 -0.10747E-01 7432 0.251E+01 0.218E-01 RMM: 2 -0.334699849194E+03 -0.16286E-01 -0.10600E-01 4903 0.799E-01 0.104E+00 RMM: 3 -0.334692579931E+03 0.72693E-02 -0.12669E-02 5546 0.231E-01 0.234E-01 RMM: 4 -0.334692155972E+03 0.42396E-03 -0.10123E-03 4759 0.701E-02 0.898E-02 RMM: 5 -0.334692114410E+03 0.41563E-04 -0.14787E-04 3915 0.302E-02 0.792E-02 RMM: 6 -0.334692075082E+03 0.39328E-04 -0.30686E-05 2767 0.168E-02 0.327E-02 RMM: 7 -0.334692074773E+03 0.30921E-06 -0.17341E-05 2494 0.132E-02 4741 T= 7185. E= 0.67551130E+03 F= 0.62157691E+03 E0= 0.65002512E+03 EK= 0.58511E+02 SP= -.46E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335638461107E+03 -0.94639E+00 -0.10900E-01 7392 0.252E+01 0.175E-01 RMM: 2 -0.335654258899E+03 -0.15798E-01 -0.12204E-01 4912 0.829E-01 0.845E-01 RMM: 3 -0.335649278847E+03 0.49801E-02 -0.14275E-02 5925 0.211E-01 0.144E-01 RMM: 4 -0.335648959887E+03 0.31896E-03 -0.70171E-04 4756 0.622E-02 0.995E-02 RMM: 5 -0.335648890062E+03 0.69825E-04 -0.10250E-04 3761 0.263E-02 0.646E-02 RMM: 6 -0.335648868121E+03 0.21941E-04 -0.23905E-05 2548 0.145E-02 0.399E-02 RMM: 7 -0.335648863079E+03 0.50423E-05 -0.23642E-05 2516 0.147E-02 4742 T= 7278. E= 0.67551027E+03 F= 0.62062013E+03 E0= 0.64908114E+03 EK= 0.59268E+02 SP= -.45E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336393308772E+03 -0.74444E+00 -0.10781E-01 7536 0.253E+01 0.171E-01 RMM: 2 -0.336406144010E+03 -0.12835E-01 -0.10538E-01 4867 0.789E-01 0.734E-01 RMM: 3 -0.336402569920E+03 0.35741E-02 -0.12599E-02 5924 0.205E-01 0.136E-01 RMM: 4 -0.336402293587E+03 0.27633E-03 -0.59655E-04 4709 0.577E-02 0.983E-02 RMM: 5 -0.336402229014E+03 0.64573E-04 -0.90098E-05 3660 0.264E-02 0.608E-02 RMM: 6 -0.336402211678E+03 0.17336E-04 -0.23967E-05 2546 0.148E-02 4743 T= 7342. E= 0.67550953E+03 F= 0.61986678E+03 E0= 0.64834198E+03 EK= 0.59786E+02 SP= -.42E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336935091293E+03 -0.53286E+00 -0.11358E-01 7552 0.254E+01 0.180E-01 RMM: 2 -0.336950847976E+03 -0.15757E-01 -0.11450E-01 4774 0.828E-01 0.911E-01 RMM: 3 -0.336945319570E+03 0.55284E-02 -0.14184E-02 5853 0.226E-01 0.167E-01 RMM: 4 -0.336944973194E+03 0.34638E-03 -0.70717E-04 4809 0.598E-02 0.837E-02 RMM: 5 -0.336944917644E+03 0.55551E-04 -0.97864E-05 3887 0.270E-02 0.574E-02 RMM: 6 -0.336944905514E+03 0.12130E-04 -0.23622E-05 2539 0.144E-02 4744 T= 7375. E= 0.67550884E+03 F= 0.61932408E+03 E0= 0.64781487E+03 EK= 0.60055E+02 SP= -.40E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337257561342E+03 -0.31264E+00 -0.11301E-01 7488 0.254E+01 0.249E-01 RMM: 2 -0.337280419523E+03 -0.22858E-01 -0.10334E-01 4812 0.805E-01 0.143E+00 RMM: 3 -0.337266299392E+03 0.14120E-01 -0.13688E-02 5437 0.262E-01 0.240E-01 RMM: 4 -0.337265877214E+03 0.42218E-03 -0.12453E-03 4740 0.733E-02 0.703E-02 RMM: 5 -0.337265854288E+03 0.22926E-04 -0.15505E-04 4408 0.286E-02 0.744E-02 RMM: 6 -0.337265824656E+03 0.29631E-04 -0.26915E-05 2600 0.158E-02 0.400E-02 RMM: 7 -0.337265830934E+03 -0.62778E-05 -0.21052E-05 2526 0.144E-02 4745 T= 7376. E= 0.67550832E+03 F= 0.61900316E+03 E0= 0.64751212E+03 EK= 0.60064E+02 SP= -.37E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337347750047E+03 -0.81925E-01 -0.11736E-01 7392 0.254E+01 0.232E-01 RMM: 2 -0.337366425665E+03 -0.18676E-01 -0.11229E-01 4775 0.825E-01 0.116E+00 RMM: 3 -0.337357286927E+03 0.91387E-02 -0.13893E-02 5600 0.246E-01 0.227E-01 RMM: 4 -0.337356885628E+03 0.40130E-03 -0.11591E-03 4738 0.752E-02 0.103E-01 RMM: 5 -0.337356830730E+03 0.54898E-04 -0.15955E-04 3913 0.302E-02 0.683E-02 RMM: 6 -0.337356802334E+03 0.28396E-04 -0.26863E-05 2661 0.156E-02 0.271E-02 RMM: 7 -0.337356803530E+03 -0.11959E-05 -0.14367E-05 2489 0.123E-02 4746 T= 7344. E= 0.67550855E+03 F= 0.61891219E+03 E0= 0.64744172E+03 EK= 0.59806E+02 SP= -.34E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337208258594E+03 0.14854E+00 -0.11771E-01 7752 0.253E+01 0.147E-01 RMM: 2 -0.337219243941E+03 -0.10985E-01 -0.91391E-02 4911 0.716E-01 0.648E-01 RMM: 3 -0.337216293263E+03 0.29507E-02 -0.10256E-02 5950 0.190E-01 0.121E-01 RMM: 4 -0.337216099749E+03 0.19351E-03 -0.46949E-04 4506 0.513E-02 0.961E-02 RMM: 5 -0.337216035110E+03 0.64639E-04 -0.70784E-05 3431 0.252E-02 0.548E-02 RMM: 6 -0.337216020907E+03 0.14203E-04 -0.22720E-05 2532 0.144E-02 4747 T= 7280. E= 0.67551016E+03 F= 0.61905297E+03 E0= 0.64760564E+03 EK= 0.59285E+02 SP= -.31E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336845035186E+03 0.37100E+00 -0.12562E-01 7352 0.251E+01 0.202E-01 RMM: 2 -0.336861597010E+03 -0.16562E-01 -0.10160E-01 4915 0.761E-01 0.107E+00 RMM: 3 -0.336853621928E+03 0.79751E-02 -0.11833E-02 5643 0.224E-01 0.185E-01 RMM: 4 -0.336853292604E+03 0.32932E-03 -0.79212E-04 4831 0.592E-02 0.737E-02 RMM: 5 -0.336853265995E+03 0.26609E-04 -0.93520E-05 3756 0.261E-02 0.642E-02 RMM: 6 -0.336853244247E+03 0.21749E-04 -0.20892E-05 2544 0.135E-02 0.460E-02 RMM: 7 -0.336853249478E+03 -0.52317E-05 -0.26799E-05 2633 0.156E-02 4748 T= 7185. E= 0.67551236E+03 F= 0.61941574E+03 E0= 0.64799406E+03 EK= 0.58512E+02 SP= -.27E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336285615720E+03 0.56763E+00 -0.12155E-01 7496 0.249E+01 0.212E-01 RMM: 2 -0.336300358276E+03 -0.14743E-01 -0.93912E-02 4840 0.743E-01 0.991E-01 RMM: 3 -0.336293419181E+03 0.69391E-02 -0.11591E-02 5602 0.227E-01 0.190E-01 RMM: 4 -0.336293178367E+03 0.24081E-03 -0.92144E-04 4691 0.671E-02 0.120E-01 RMM: 5 -0.336293132790E+03 0.45576E-04 -0.13655E-04 3809 0.304E-02 0.948E-02 RMM: 6 -0.336293072247E+03 0.60543E-04 -0.34853E-05 2922 0.182E-02 0.269E-02 RMM: 7 -0.336293071671E+03 0.57592E-06 -0.12663E-05 2486 0.115E-02 4749 T= 7064. E= 0.67551648E+03 F= 0.61997592E+03 E0= 0.64858093E+03 EK= 0.57522E+02 SP= -.23E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335573193324E+03 0.71988E+00 -0.12298E-01 7648 0.247E+01 0.177E-01 RMM: 2 -0.335586887062E+03 -0.13694E-01 -0.95207E-02 4881 0.732E-01 0.886E-01 RMM: 3 -0.335581301779E+03 0.55853E-02 -0.10684E-02 5757 0.212E-01 0.175E-01 RMM: 4 -0.335581018743E+03 0.28304E-03 -0.63933E-04 4736 0.562E-02 0.863E-02 RMM: 5 -0.335580972029E+03 0.46714E-04 -0.88395E-05 3633 0.266E-02 0.624E-02 RMM: 6 -0.335580949903E+03 0.22126E-04 -0.24505E-05 2562 0.150E-02 0.431E-02 RMM: 7 -0.335580949529E+03 0.37350E-06 -0.25841E-05 2586 0.148E-02 4750 T= 6922. E= 0.67552159E+03 F= 0.62068804E+03 E0= 0.64931861E+03 EK= 0.56366E+02 SP= -.19E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334770318024E+03 0.81063E+00 -0.12551E-01 7712 0.243E+01 0.166E-01 RMM: 2 -0.334783202668E+03 -0.12885E-01 -0.10402E-01 4758 0.784E-01 0.731E-01 RMM: 3 -0.334779415851E+03 0.37868E-02 -0.12501E-02 5926 0.217E-01 0.151E-01 RMM: 4 -0.334779146852E+03 0.26900E-03 -0.60904E-04 4790 0.569E-02 0.966E-02 RMM: 5 -0.334779097255E+03 0.49597E-04 -0.89648E-05 3589 0.284E-02 0.610E-02 RMM: 6 -0.334779077073E+03 0.20182E-04 -0.24793E-05 2559 0.153E-02 0.334E-02 RMM: 7 -0.334779079259E+03 -0.21864E-05 -0.15189E-05 2495 0.122E-02 4751 T= 6768. E= 0.67552724E+03 F= 0.62148991E+03 E0= 0.65014317E+03 EK= 0.55112E+02 SP= -.15E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333948391078E+03 0.83069E+00 -0.11823E-01 7688 0.240E+01 0.150E-01 RMM: 2 -0.333960384667E+03 -0.11994E-01 -0.10024E-01 4829 0.751E-01 0.665E-01 RMM: 3 -0.333957210619E+03 0.31740E-02 -0.11534E-02 5962 0.203E-01 0.136E-01 RMM: 4 -0.333956978484E+03 0.23214E-03 -0.53394E-04 4591 0.553E-02 0.105E-01 RMM: 5 -0.333956905739E+03 0.72745E-04 -0.87004E-05 3547 0.282E-02 0.579E-02 RMM: 6 -0.333956889197E+03 0.16543E-04 -0.23673E-05 2541 0.146E-02 4752 T= 6611. E= 0.67553392E+03 F= 0.62231210E+03 E0= 0.65098251E+03 EK= 0.53840E+02 SP= -.10E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333175724121E+03 0.78118E+00 -0.11298E-01 7488 0.236E+01 0.176E-01 RMM: 2 -0.333189412342E+03 -0.13688E-01 -0.84050E-02 4916 0.698E-01 0.958E-01 RMM: 3 -0.333182956255E+03 0.64561E-02 -0.97741E-03 5586 0.205E-01 0.182E-01 RMM: 4 -0.333182684403E+03 0.27185E-03 -0.64160E-04 4762 0.541E-02 0.771E-02 RMM: 5 -0.333182646921E+03 0.37482E-04 -0.78359E-05 3611 0.255E-02 0.632E-02 RMM: 6 -0.333182633775E+03 0.13147E-04 -0.23098E-05 2545 0.142E-02 4753 T= 6462. E= 0.67553963E+03 F= 0.62308636E+03 E0= 0.65176705E+03 EK= 0.52620E+02 SP= -.57E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332504067152E+03 0.67858E+00 -0.11121E-01 7496 0.232E+01 0.334E-01 RMM: 2 -0.332538118046E+03 -0.34051E-01 -0.82049E-02 4961 0.725E-01 0.203E+00 RMM: 3 -0.332510109609E+03 0.28008E-01 -0.14563E-02 5371 0.299E-01 0.315E-01 RMM: 4 -0.332509381509E+03 0.72810E-03 -0.16381E-03 4849 0.825E-02 0.815E-02 RMM: 5 -0.332509381624E+03 -0.11465E-06 -0.18183E-04 3899 0.324E-02 4754 T= 6326. E= 0.67554446E+03 F= 0.62375961E+03 E0= 0.65244216E+03 EK= 0.51512E+02 SP= -.12E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331958068081E+03 0.55131E+00 -0.10752E-01 7568 0.229E+01 0.221E-01 RMM: 2 -0.331976664534E+03 -0.18596E-01 -0.78883E-02 4977 0.662E-01 0.130E+00 RMM: 3 -0.331964782956E+03 0.11882E-01 -0.10371E-02 5375 0.234E-01 0.267E-01 RMM: 4 -0.331964316834E+03 0.46612E-03 -0.10719E-03 4749 0.679E-02 0.864E-02 RMM: 5 -0.331964285309E+03 0.31525E-04 -0.13233E-04 3888 0.308E-02 0.782E-02 RMM: 6 -0.331964250385E+03 0.34923E-04 -0.28938E-05 2642 0.161E-02 0.441E-02 RMM: 7 -0.331964255667E+03 -0.52816E-05 -0.18981E-05 2531 0.135E-02 4755 T= 6207. E= 0.67554717E+03 F= 0.62430473E+03 E0= 0.65298224E+03 EK= 0.50545E+02 SP= 0.32E+00 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331539039639E+03 0.42521E+00 -0.10606E-01 7528 0.226E+01 0.224E-01 RMM: 2 -0.331554751876E+03 -0.15712E-01 -0.86706E-02 4787 0.707E-01 0.112E+00 RMM: 3 -0.331546134548E+03 0.86173E-02 -0.10747E-02 5545 0.220E-01 0.205E-01 RMM: 4 -0.331545842746E+03 0.29180E-03 -0.90165E-04 4726 0.645E-02 0.105E-01 RMM: 5 -0.331545822493E+03 0.20253E-04 -0.14175E-04 3845 0.301E-02 0.912E-02 RMM: 6 -0.331545769167E+03 0.53326E-04 -0.43136E-05 3111 0.196E-02 0.231E-02 RMM: 7 -0.331545778527E+03 -0.93604E-05 -0.13798E-05 2504 0.119E-02 4756 T= 6105. E= 0.67554659E+03 F= 0.62472321E+03 E0= 0.65338961E+03 EK= 0.49719E+02 SP= 0.75E+00 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331220956170E+03 0.32481E+00 -0.10182E-01 7920 0.223E+01 0.159E-01 RMM: 2 -0.331232433322E+03 -0.11477E-01 -0.83487E-02 4941 0.674E-01 0.791E-01 RMM: 3 -0.331228130449E+03 0.43029E-02 -0.95995E-03 5918 0.188E-01 0.145E-01 RMM: 4 -0.331227896560E+03 0.23389E-03 -0.52279E-04 4614 0.517E-02 0.904E-02 RMM: 5 -0.331227834486E+03 0.62074E-04 -0.74605E-05 3529 0.239E-02 0.543E-02 RMM: 6 -0.331227823215E+03 0.11270E-04 -0.20043E-05 2528 0.132E-02 4757 T= 6019. E= 0.67554487E+03 F= 0.62504117E+03 E0= 0.65369228E+03 EK= 0.49013E+02 SP= 0.12E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330961838235E+03 0.26600E+00 -0.10585E-01 7768 0.221E+01 0.152E-01 RMM: 2 -0.330974401402E+03 -0.12563E-01 -0.98153E-02 4901 0.715E-01 0.731E-01 RMM: 3 -0.330970373585E+03 0.40278E-02 -0.11284E-02 5876 0.200E-01 0.145E-01 RMM: 4 -0.330970100933E+03 0.27265E-03 -0.56350E-04 5015 0.496E-02 0.744E-02 RMM: 5 -0.330970072561E+03 0.28371E-04 -0.58718E-05 3013 0.228E-02 0.632E-02 RMM: 6 -0.330970064308E+03 0.82531E-05 -0.22512E-05 2546 0.147E-02 4758 T= 5942. E= 0.67554277E+03 F= 0.62529892E+03 E0= 0.65393259E+03 EK= 0.48389E+02 SP= 0.16E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330722938470E+03 0.24713E+00 -0.99041E-02 8064 0.219E+01 0.372E-01 RMM: 2 -0.330763868329E+03 -0.40930E-01 -0.94916E-02 5027 0.744E-01 0.224E+00 RMM: 3 -0.330729612122E+03 0.34256E-01 -0.17134E-02 5367 0.322E-01 0.350E-01 RMM: 4 -0.330728738368E+03 0.87375E-03 -0.20677E-03 4940 0.905E-02 0.897E-02 RMM: 5 -0.330728752375E+03 -0.14007E-04 -0.22755E-04 3932 0.352E-02 0.115E-01 RMM: 6 -0.330728667790E+03 0.84585E-04 -0.44683E-05 3093 0.197E-02 0.441E-02 RMM: 7 -0.330728667078E+03 0.71196E-06 -0.19793E-05 2532 0.140E-02 4759 T= 5870. E= 0.67554014E+03 F= 0.62554032E+03 E0= 0.65415633E+03 EK= 0.47805E+02 SP= 0.19E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330452891021E+03 0.27578E+00 -0.10207E-01 8096 0.218E+01 0.290E-01 RMM: 2 -0.330486538685E+03 -0.33648E-01 -0.10561E-01 4981 0.735E-01 0.190E+00 RMM: 3 -0.330461206115E+03 0.25333E-01 -0.15108E-02 5384 0.287E-01 0.274E-01 RMM: 4 -0.330460713395E+03 0.49272E-03 -0.17836E-03 5035 0.816E-02 0.106E-01 RMM: 5 -0.330460707122E+03 0.62727E-05 -0.20333E-04 3904 0.351E-02 0.117E-01 RMM: 6 -0.330460612946E+03 0.94176E-04 -0.57169E-05 3300 0.218E-02 0.347E-02 RMM: 7 -0.330460614622E+03 -0.16757E-05 -0.18382E-05 2527 0.131E-02 4760 T= 5799. E= 0.67553870E+03 F= 0.62580837E+03 E0= 0.65440793E+03 EK= 0.47221E+02 SP= 0.23E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330127148771E+03 0.33346E+00 -0.93412E-02 8336 0.216E+01 0.220E-01 RMM: 2 -0.330147033735E+03 -0.19885E-01 -0.92377E-02 5107 0.674E-01 0.133E+00 RMM: 3 -0.330134583164E+03 0.12451E-01 -0.10829E-02 5490 0.222E-01 0.213E-01 RMM: 4 -0.330134226676E+03 0.35649E-03 -0.10103E-03 4856 0.630E-02 0.688E-02 RMM: 5 -0.330134214148E+03 0.12527E-04 -0.11812E-04 3858 0.269E-02 4761 T= 5723. E= 0.67553778E+03 F= 0.62613478E+03 E0= 0.65472056E+03 EK= 0.46607E+02 SP= 0.26E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329721592738E+03 0.41263E+00 -0.98299E-02 8504 0.215E+01 0.126E-01 RMM: 2 -0.329733121804E+03 -0.11529E-01 -0.94698E-02 5282 0.657E-01 0.652E-01 RMM: 3 -0.329729558026E+03 0.35638E-02 -0.85482E-03 5942 0.170E-01 0.134E-01 RMM: 4 -0.329729337031E+03 0.22099E-03 -0.43231E-04 4642 0.429E-02 0.779E-02 RMM: 5 -0.329729300184E+03 0.36847E-04 -0.42548E-05 2831 0.197E-02 0.673E-02 RMM: 6 -0.329729295195E+03 0.49898E-05 -0.30637E-05 2805 0.160E-02 4762 T= 5642. E= 0.67553722E+03 F= 0.62653969E+03 E0= 0.65511366E+03 EK= 0.45945E+02 SP= 0.29E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329232226312E+03 0.49707E+00 -0.99681E-02 8112 0.214E+01 0.324E-01 RMM: 2 -0.329268005622E+03 -0.35779E-01 -0.10968E-01 4812 0.747E-01 0.198E+00 RMM: 3 -0.329240599406E+03 0.27406E-01 -0.16278E-02 5384 0.297E-01 0.299E-01 RMM: 4 -0.329239969765E+03 0.62964E-03 -0.18350E-03 4991 0.819E-02 0.893E-02 RMM: 5 -0.329239980910E+03 -0.11145E-04 -0.20961E-04 3885 0.358E-02 0.109E-01 RMM: 6 -0.329239905927E+03 0.74983E-04 -0.51422E-05 3223 0.212E-02 0.411E-02 RMM: 7 -0.329239899843E+03 0.60840E-05 -0.15547E-05 2509 0.126E-02 4763 T= 5554. E= 0.67553797E+03 F= 0.62702909E+03 E0= 0.65559445E+03 EK= 0.45232E+02 SP= 0.32E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328673842348E+03 0.56606E+00 -0.95568E-02 8392 0.213E+01 0.372E-01 RMM: 2 -0.328714263849E+03 -0.40422E-01 -0.99962E-02 5099 0.738E-01 0.221E+00 RMM: 3 -0.328680912240E+03 0.33352E-01 -0.16671E-02 5387 0.314E-01 0.376E-01 RMM: 4 -0.328679884253E+03 0.10280E-02 -0.20387E-03 4870 0.925E-02 0.101E-01 RMM: 5 -0.328679878184E+03 0.60685E-05 -0.26029E-04 3886 0.384E-02 0.114E-01 RMM: 6 -0.328679788807E+03 0.89377E-04 -0.57721E-05 3294 0.222E-02 0.462E-02 RMM: 7 -0.328679782880E+03 0.59271E-05 -0.18823E-05 2528 0.131E-02 4764 T= 5462. E= 0.67554006E+03 F= 0.62758921E+03 E0= 0.65614833E+03 EK= 0.44483E+02 SP= 0.34E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328074582664E+03 0.60521E+00 -0.98775E-02 8128 0.212E+01 0.244E-01 RMM: 2 -0.328095898507E+03 -0.21316E-01 -0.10231E-01 4886 0.721E-01 0.135E+00 RMM: 3 -0.328082873774E+03 0.13025E-01 -0.12690E-02 5473 0.245E-01 0.227E-01 RMM: 4 -0.328082486805E+03 0.38697E-03 -0.12202E-03 5073 0.662E-02 0.768E-02 RMM: 5 -0.328082461915E+03 0.24891E-04 -0.12491E-04 3795 0.291E-02 0.763E-02 RMM: 6 -0.328082425542E+03 0.36373E-04 -0.26900E-05 2645 0.158E-02 0.347E-02 RMM: 7 -0.328082425359E+03 0.18240E-06 -0.12381E-05 2494 0.115E-02 4765 T= 5371. E= 0.67554383E+03 F= 0.62818656E+03 E0= 0.65674107E+03 EK= 0.43735E+02 SP= 0.36E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327496513642E+03 0.58591E+00 -0.91142E-02 8080 0.211E+01 0.193E-01 RMM: 2 -0.327510220139E+03 -0.13706E-01 -0.82310E-02 5051 0.641E-01 0.984E-01 RMM: 3 -0.327503110222E+03 0.71099E-02 -0.88610E-03 5652 0.196E-01 0.180E-01 RMM: 4 -0.327502854463E+03 0.25576E-03 -0.71087E-04 4743 0.556E-02 0.887E-02 RMM: 5 -0.327502810047E+03 0.44416E-04 -0.92775E-05 3679 0.252E-02 0.664E-02 RMM: 6 -0.327502782637E+03 0.27410E-04 -0.22740E-05 2594 0.146E-02 0.378E-02 RMM: 7 -0.327502781644E+03 0.99343E-06 -0.13937E-05 2495 0.116E-02 4766 T= 5286. E= 0.67554940E+03 F= 0.62876621E+03 E0= 0.65731824E+03 EK= 0.43045E+02 SP= 0.37E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327011138565E+03 0.49164E+00 -0.90208E-02 8016 0.211E+01 0.158E-01 RMM: 2 -0.327021216967E+03 -0.10078E-01 -0.75595E-02 5060 0.615E-01 0.719E-01 RMM: 3 -0.327017366123E+03 0.38508E-02 -0.79543E-03 5841 0.175E-01 0.135E-01 RMM: 4 -0.327017193469E+03 0.17265E-03 -0.49642E-04 4534 0.479E-02 0.915E-02 RMM: 5 -0.327017141146E+03 0.52322E-04 -0.65183E-05 3424 0.223E-02 0.607E-02 RMM: 6 -0.327017122671E+03 0.18475E-04 -0.20005E-05 2529 0.138E-02 4767 T= 5217. E= 0.67555496E+03 F= 0.62925187E+03 E0= 0.65780326E+03 EK= 0.42488E+02 SP= 0.38E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326701718212E+03 0.31542E+00 -0.87774E-02 7848 0.211E+01 0.164E-01 RMM: 2 -0.326712189445E+03 -0.10471E-01 -0.71444E-02 5093 0.601E-01 0.795E-01 RMM: 3 -0.326707634477E+03 0.45550E-02 -0.75572E-03 5797 0.172E-01 0.153E-01 RMM: 4 -0.326707410674E+03 0.22380E-03 -0.48533E-04 4645 0.453E-02 0.761E-02 RMM: 5 -0.326707374176E+03 0.36498E-04 -0.46203E-05 2908 0.201E-02 0.610E-02 RMM: 6 -0.326707365488E+03 0.86887E-05 -0.23396E-05 2550 0.146E-02 4768 T= 5176. E= 0.67556037E+03 F= 0.62956162E+03 E0= 0.65811459E+03 EK= 0.42147E+02 SP= 0.39E+01 SK= 0.87E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326647178259E+03 0.60196E-01 -0.83828E-02 7744 0.211E+01 0.355E-01 RMM: 2 -0.326679986271E+03 -0.32808E-01 -0.68611E-02 5118 0.639E-01 0.202E+00 RMM: 3 -0.326651630631E+03 0.28356E-01 -0.13911E-02 5361 0.296E-01 0.308E-01 RMM: 4 -0.326650938576E+03 0.69206E-03 -0.16033E-03 4719 0.809E-02 0.901E-02 RMM: 5 -0.326650931137E+03 0.74384E-05 -0.17981E-04 3895 0.321E-02 4769 T= 5170. E= 0.67556501E+03 F= 0.62961806E+03 E0= 0.65817476E+03 EK= 0.42098E+02 SP= 0.38E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326900127800E+03 -0.24919E+00 -0.81835E-02 7624 0.212E+01 0.232E-01 RMM: 2 -0.326917320802E+03 -0.17193E-01 -0.64067E-02 5140 0.567E-01 0.131E+00 RMM: 3 -0.326905178034E+03 0.12143E-01 -0.87398E-03 5358 0.221E-01 0.248E-01 RMM: 4 -0.326904760235E+03 0.41780E-03 -0.10075E-03 4756 0.633E-02 0.866E-02 RMM: 5 -0.326904728290E+03 0.31945E-04 -0.11306E-04 3808 0.276E-02 0.766E-02 RMM: 6 -0.326904692378E+03 0.35912E-04 -0.24902E-05 2591 0.150E-02 0.456E-02 RMM: 7 -0.326904697296E+03 -0.49183E-05 -0.21060E-05 2557 0.139E-02 4770 T= 5207. E= 0.67556727E+03 F= 0.62936429E+03 E0= 0.65792917E+03 EK= 0.42399E+02 SP= 0.38E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327487276653E+03 -0.58258E+00 -0.85530E-02 7624 0.214E+01 0.217E-01 RMM: 2 -0.327499883364E+03 -0.12607E-01 -0.61910E-02 4859 0.597E-01 0.106E+00 RMM: 3 -0.327492075616E+03 0.78077E-02 -0.76954E-03 5409 0.194E-01 0.176E-01 RMM: 4 -0.327491907229E+03 0.16839E-03 -0.76773E-04 4673 0.573E-02 0.109E-01 RMM: 5 -0.327491865428E+03 0.41801E-04 -0.11859E-04 3817 0.277E-02 0.787E-02 RMM: 6 -0.327491824713E+03 0.40715E-04 -0.32270E-05 2949 0.174E-02 0.218E-02 RMM: 7 -0.327491829754E+03 -0.50409E-05 -0.12526E-05 2488 0.110E-02 4771 T= 5289. E= 0.67556621E+03 F= 0.62877716E+03 E0= 0.65735357E+03 EK= 0.43070E+02 SP= 0.37E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328392316547E+03 -0.90049E+00 -0.89150E-02 7792 0.216E+01 0.134E-01 RMM: 2 -0.328401012183E+03 -0.86956E-02 -0.73075E-02 4916 0.638E-01 0.586E-01 RMM: 3 -0.328398753770E+03 0.22584E-02 -0.85554E-03 5997 0.165E-01 0.120E-01 RMM: 4 -0.328398539397E+03 0.21437E-03 -0.41431E-04 4468 0.473E-02 0.907E-02 RMM: 5 -0.328398480070E+03 0.59328E-04 -0.65274E-05 3395 0.237E-02 0.493E-02 RMM: 6 -0.328398467747E+03 0.12323E-04 -0.19400E-05 2524 0.129E-02 4772 T= 5415. E= 0.67556251E+03 F= 0.62787052E+03 E0= 0.65646303E+03 EK= 0.44098E+02 SP= 0.35E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329565303321E+03 -0.11668E+01 -0.99623E-02 7568 0.220E+01 0.162E-01 RMM: 2 -0.329579407180E+03 -0.14104E-01 -0.10710E-01 4798 0.757E-01 0.794E-01 RMM: 3 -0.329574855199E+03 0.45520E-02 -0.12638E-02 5873 0.199E-01 0.181E-01 RMM: 4 -0.329574412554E+03 0.44265E-03 -0.64926E-04 4737 0.574E-02 0.683E-02 RMM: 5 -0.329574389648E+03 0.22906E-04 -0.90217E-05 3694 0.252E-02 0.625E-02 RMM: 6 -0.329574369576E+03 0.20072E-04 -0.22906E-05 2556 0.140E-02 0.475E-02 RMM: 7 -0.329574384450E+03 -0.14873E-04 -0.38703E-05 2980 0.184E-02 4773 T= 5579. E= 0.67555681E+03 F= 0.62669460E+03 E0= 0.65530834E+03 EK= 0.45431E+02 SP= 0.33E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330937480977E+03 -0.13631E+01 -0.98912E-02 7736 0.224E+01 0.202E-01 RMM: 2 -0.330949831141E+03 -0.12350E-01 -0.85638E-02 4876 0.699E-01 0.883E-01 RMM: 3 -0.330944573511E+03 0.52576E-02 -0.10303E-02 5715 0.200E-01 0.190E-01 RMM: 4 -0.330944297886E+03 0.27563E-03 -0.85412E-04 4665 0.667E-02 0.133E-01 RMM: 5 -0.330944200728E+03 0.97158E-04 -0.15815E-04 3869 0.329E-02 0.770E-02 RMM: 6 -0.330944163857E+03 0.36871E-04 -0.29496E-05 2809 0.167E-02 0.297E-02 RMM: 7 -0.330944166239E+03 -0.23823E-05 -0.16539E-05 2506 0.125E-02 4774 T= 5771. E= 0.67555039E+03 F= 0.62532482E+03 E0= 0.65396441E+03 EK= 0.46994E+02 SP= 0.31E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332412540509E+03 -0.14684E+01 -0.10637E-01 8088 0.227E+01 0.188E-01 RMM: 2 -0.332427612823E+03 -0.15072E-01 -0.10093E-01 4963 0.729E-01 0.955E-01 RMM: 3 -0.332421188713E+03 0.64241E-02 -0.11132E-02 5724 0.203E-01 0.175E-01 RMM: 4 -0.332420852511E+03 0.33620E-03 -0.71408E-04 4710 0.578E-02 0.907E-02 RMM: 5 -0.332420808191E+03 0.44320E-04 -0.10446E-04 3744 0.271E-02 0.698E-02 RMM: 6 -0.332420780026E+03 0.28165E-04 -0.24329E-05 2570 0.147E-02 0.433E-02 RMM: 7 -0.332420779358E+03 0.66725E-06 -0.18093E-05 2527 0.130E-02 4775 T= 5980. E= 0.67554368E+03 F= 0.62384821E+03 E0= 0.65251702E+03 EK= 0.48696E+02 SP= 0.29E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333905908452E+03 -0.14851E+01 -0.11513E-01 8232 0.231E+01 0.172E-01 RMM: 2 -0.333918578343E+03 -0.12670E-01 -0.10042E-01 4900 0.728E-01 0.754E-01 RMM: 3 -0.333914622507E+03 0.39558E-02 -0.11604E-02 5922 0.200E-01 0.156E-01 RMM: 4 -0.333914295973E+03 0.32653E-03 -0.61331E-04 4739 0.549E-02 0.930E-02 RMM: 5 -0.333914246092E+03 0.49881E-04 -0.92636E-05 3665 0.268E-02 0.617E-02 RMM: 6 -0.333914227767E+03 0.18325E-04 -0.22231E-05 2557 0.140E-02 4776 T= 6194. E= 0.67553729E+03 F= 0.62235476E+03 E0= 0.65105544E+03 EK= 0.50441E+02 SP= 0.26E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335330748898E+03 -0.14165E+01 -0.12565E-01 8248 0.234E+01 0.176E-01 RMM: 2 -0.335346851245E+03 -0.16102E-01 -0.11376E-01 4971 0.752E-01 0.926E-01 RMM: 3 -0.335340660386E+03 0.61909E-02 -0.12452E-02 5830 0.207E-01 0.151E-01 RMM: 4 -0.335340364970E+03 0.29542E-03 -0.67296E-04 4671 0.564E-02 0.106E-01 RMM: 5 -0.335340289620E+03 0.75350E-04 -0.95633E-05 3735 0.264E-02 0.631E-02 RMM: 6 -0.335340275314E+03 0.14305E-04 -0.22535E-05 2547 0.137E-02 4777 T= 6403. E= 0.67553185E+03 F= 0.62092871E+03 E0= 0.64966205E+03 EK= 0.52141E+02 SP= 0.23E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336614782294E+03 -0.12745E+01 -0.13546E-01 8224 0.237E+01 0.285E-01 RMM: 2 -0.336643944591E+03 -0.29162E-01 -0.12979E-01 4943 0.814E-01 0.162E+00 RMM: 3 -0.336625369132E+03 0.18575E-01 -0.15864E-02 5456 0.273E-01 0.260E-01 RMM: 4 -0.336624793641E+03 0.57549E-03 -0.15668E-03 4872 0.801E-02 0.899E-02 RMM: 5 -0.336624767593E+03 0.26048E-04 -0.19233E-04 4031 0.321E-02 0.872E-02 RMM: 6 -0.336624720358E+03 0.47235E-04 -0.32541E-05 2774 0.172E-02 0.470E-02 RMM: 7 -0.336624727762E+03 -0.74038E-05 -0.22351E-05 2558 0.144E-02 4778 T= 6596. E= 0.67552635E+03 F= 0.61964426E+03 E0= 0.64841072E+03 EK= 0.53711E+02 SP= 0.20E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337689010714E+03 -0.10643E+01 -0.14838E-01 8320 0.240E+01 0.241E-01 RMM: 2 -0.337711080050E+03 -0.22069E-01 -0.14603E-01 4931 0.839E-01 0.114E+00 RMM: 3 -0.337701380578E+03 0.96995E-02 -0.16109E-02 5579 0.254E-01 0.246E-01 RMM: 4 -0.337700887167E+03 0.49341E-03 -0.13495E-03 4842 0.790E-02 0.115E-01 RMM: 5 -0.337700844797E+03 0.42369E-04 -0.19657E-04 3936 0.331E-02 0.104E-01 RMM: 6 -0.337700775500E+03 0.69297E-04 -0.42571E-05 3070 0.194E-02 0.337E-02 RMM: 7 -0.337700776755E+03 -0.12542E-05 -0.18027E-05 2515 0.131E-02 4779 T= 6764. E= 0.67552184E+03 F= 0.61856821E+03 E0= 0.64736585E+03 EK= 0.55078E+02 SP= 0.17E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338499406140E+03 -0.79863E+00 -0.15714E-01 8464 0.242E+01 0.194E-01 RMM: 2 -0.338520317068E+03 -0.20911E-01 -0.15315E-01 4863 0.861E-01 0.102E+00 RMM: 3 -0.338512820424E+03 0.74966E-02 -0.16482E-02 5860 0.241E-01 0.179E-01 RMM: 4 -0.338512381457E+03 0.43897E-03 -0.89604E-04 4991 0.635E-02 0.900E-02 RMM: 5 -0.338512341515E+03 0.39942E-04 -0.12332E-04 3829 0.296E-02 0.708E-02 RMM: 6 -0.338512310874E+03 0.30641E-04 -0.29589E-05 2700 0.161E-02 0.438E-02 RMM: 7 -0.338512315117E+03 -0.42425E-05 -0.25023E-05 2589 0.151E-02 4780 T= 6898. E= 0.67551773E+03 F= 0.61775667E+03 E0= 0.64658219E+03 EK= 0.56177E+02 SP= 0.14E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339000013063E+03 -0.48770E+00 -0.16399E-01 8568 0.244E+01 0.166E-01 RMM: 2 -0.339018439769E+03 -0.18427E-01 -0.15561E-01 4920 0.856E-01 0.763E-01 RMM: 3 -0.339013773392E+03 0.46664E-02 -0.16243E-02 6083 0.230E-01 0.165E-01 RMM: 4 -0.339013330411E+03 0.44298E-03 -0.74839E-04 4740 0.620E-02 0.908E-02 RMM: 5 -0.339013290857E+03 0.39555E-04 -0.11258E-04 3747 0.290E-02 0.666E-02 RMM: 6 -0.339013265595E+03 0.25261E-04 -0.27151E-05 2630 0.156E-02 0.359E-02 RMM: 7 -0.339013268090E+03 -0.24949E-05 -0.17004E-05 2513 0.131E-02 4781 T= 6994. E= 0.67551393E+03 F= 0.61725572E+03 E0= 0.64610580E+03 EK= 0.56955E+02 SP= 0.12E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339151228383E+03 -0.13796E+00 -0.17859E-01 8264 0.245E+01 0.158E-01 RMM: 2 -0.339171792307E+03 -0.20564E-01 -0.18040E-01 4938 0.934E-01 0.726E-01 RMM: 3 -0.339167391754E+03 0.44006E-02 -0.18588E-02 6197 0.239E-01 0.141E-01 RMM: 4 -0.339166933373E+03 0.45838E-03 -0.72490E-04 4807 0.626E-02 0.955E-02 RMM: 5 -0.339166884952E+03 0.48421E-04 -0.10810E-04 3707 0.294E-02 0.655E-02 RMM: 6 -0.339166860775E+03 0.24177E-04 -0.28056E-05 2635 0.159E-02 0.386E-02 RMM: 7 -0.339166863914E+03 -0.31384E-05 -0.20105E-05 2533 0.137E-02 4782 T= 7045. E= 0.67551150E+03 F= 0.61710213E+03 E0= 0.64597159E+03 EK= 0.57369E+02 SP= 0.93E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338933464228E+03 0.23340E+00 -0.17084E-01 8144 0.245E+01 0.155E-01 RMM: 2 -0.338952707605E+03 -0.19243E-01 -0.17190E-01 4989 0.897E-01 0.672E-01 RMM: 3 -0.338948707423E+03 0.40002E-02 -0.17108E-02 6189 0.231E-01 0.148E-01 RMM: 4 -0.338948269446E+03 0.43798E-03 -0.70543E-04 4806 0.607E-02 0.834E-02 RMM: 5 -0.338948238039E+03 0.31408E-04 -0.94506E-05 3610 0.277E-02 0.639E-02 RMM: 6 -0.338948216577E+03 0.21462E-04 -0.26231E-05 2598 0.158E-02 0.388E-02 RMM: 7 -0.338948223177E+03 -0.65998E-05 -0.23692E-05 2560 0.148E-02 4783 T= 7047. E= 0.67551011E+03 F= 0.61732077E+03 E0= 0.64620376E+03 EK= 0.57390E+02 SP= 0.71E+00 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338333735100E+03 0.61448E+00 -0.16127E-01 8264 0.244E+01 0.145E-01 RMM: 2 -0.338350366326E+03 -0.16631E-01 -0.14349E-01 5207 0.807E-01 0.691E-01 RMM: 3 -0.338346206066E+03 0.41603E-02 -0.13403E-02 6049 0.214E-01 0.128E-01 RMM: 4 -0.338345919430E+03 0.28664E-03 -0.59790E-04 4716 0.558E-02 0.989E-02 RMM: 5 -0.338345859794E+03 0.59636E-04 -0.84547E-05 3465 0.267E-02 0.569E-02 RMM: 6 -0.338345844487E+03 0.15307E-04 -0.23976E-05 2557 0.149E-02 4784 T= 7000. E= 0.67551061E+03 F= 0.61792314E+03 E0= 0.64681309E+03 EK= 0.57006E+02 SP= 0.51E+00 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337352383163E+03 0.99348E+00 -0.16348E-01 8064 0.243E+01 0.198E-01 RMM: 2 -0.337375840268E+03 -0.23457E-01 -0.16161E-01 4914 0.881E-01 0.111E+00 RMM: 3 -0.337366495505E+03 0.93448E-02 -0.17205E-02 5808 0.249E-01 0.224E-01 RMM: 4 -0.337365913210E+03 0.58229E-03 -0.10074E-03 4887 0.688E-02 0.746E-02 RMM: 5 -0.337365888464E+03 0.24747E-04 -0.12457E-04 4239 0.267E-02 0.694E-02 RMM: 6 -0.337365868918E+03 0.19545E-04 -0.24131E-05 2568 0.146E-02 4785 T= 6904. E= 0.67551328E+03 F= 0.61890312E+03 E0= 0.64779369E+03 EK= 0.56224E+02 SP= 0.32E+00 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336026998321E+03 0.13389E+01 -0.14679E-01 8040 0.241E+01 0.310E-01 RMM: 2 -0.336062696970E+03 -0.35699E-01 -0.13365E-01 4862 0.831E-01 0.187E+00 RMM: 3 -0.336037948179E+03 0.24749E-01 -0.17594E-02 5403 0.299E-01 0.301E-01 RMM: 4 -0.336037267308E+03 0.68087E-03 -0.18960E-03 5022 0.857E-02 0.917E-02 RMM: 5 -0.336037228639E+03 0.38669E-04 -0.19858E-04 4184 0.314E-02 0.843E-02 RMM: 6 -0.336037190672E+03 0.37968E-04 -0.30603E-05 2763 0.167E-02 0.544E-02 RMM: 7 -0.336037208245E+03 -0.17573E-04 -0.31798E-05 2796 0.170E-02 4786 T= 6763. E= 0.67551818E+03 F= 0.62023178E+03 E0= 0.64911713E+03 EK= 0.55076E+02 SP= 0.16E+00 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334401556681E+03 0.16356E+01 -0.13319E-01 8144 0.238E+01 0.293E-01 RMM: 2 -0.334427801479E+03 -0.26245E-01 -0.12902E-01 4796 0.808E-01 0.149E+00 RMM: 3 -0.334412245837E+03 0.15556E-01 -0.16657E-02 5445 0.284E-01 0.343E-01 RMM: 4 -0.334411395068E+03 0.85077E-03 -0.18107E-03 5028 0.895E-02 0.107E-01 RMM: 5 -0.334411469019E+03 -0.73952E-04 -0.30216E-04 3891 0.416E-02 0.151E-01 RMM: 6 -0.334411321440E+03 0.14758E-03 -0.95211E-05 3655 0.281E-02 0.412E-02 RMM: 7 -0.334411317717E+03 0.37236E-05 -0.18422E-05 2548 0.127E-02 4787 T= 6584. E= 0.67552489E+03 F= 0.62185767E+03 E0= 0.65073291E+03 EK= 0.53618E+02 SP= 0.21E-03 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332547492085E+03 0.18638E+01 -0.13546E-01 7848 0.234E+01 0.245E-01 RMM: 2 -0.332574955434E+03 -0.27463E-01 -0.14447E-01 4764 0.863E-01 0.146E+00 RMM: 3 -0.332559864877E+03 0.15091E-01 -0.17477E-02 5555 0.272E-01 0.222E-01 RMM: 4 -0.332559414813E+03 0.45006E-03 -0.14240E-03 5301 0.718E-02 0.953E-02 RMM: 5 -0.332559352695E+03 0.62118E-04 -0.14425E-04 3888 0.317E-02 0.717E-02 RMM: 6 -0.332559323418E+03 0.29277E-04 -0.28071E-05 2624 0.157E-02 0.453E-02 RMM: 7 -0.332559326330E+03 -0.29113E-05 -0.19698E-05 2547 0.138E-02 4788 T= 6377. E= 0.67553272E+03 F= 0.62370966E+03 E0= 0.65257236E+03 EK= 0.51928E+02 SP= -.15E+00 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330562281577E+03 0.19970E+01 -0.11664E-01 7904 0.231E+01 0.193E-01 RMM: 2 -0.330578125279E+03 -0.15844E-01 -0.11040E-01 4850 0.755E-01 0.946E-01 RMM: 3 -0.330571756231E+03 0.63690E-02 -0.12853E-02 5721 0.224E-01 0.206E-01 RMM: 4 -0.330571347131E+03 0.40910E-03 -0.83968E-04 4957 0.609E-02 0.728E-02 RMM: 5 -0.330571336816E+03 0.10315E-04 -0.11825E-04 3816 0.286E-02 4789 T= 6152. E= 0.67554192E+03 F= 0.62569765E+03 E0= 0.65454507E+03 EK= 0.50102E+02 SP= -.31E+00 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328542637504E+03 0.20287E+01 -0.11110E-01 7928 0.226E+01 0.140E-01 RMM: 2 -0.328554810728E+03 -0.12173E-01 -0.96986E-02 5023 0.697E-01 0.716E-01 RMM: 3 -0.328551005725E+03 0.38050E-02 -0.10151E-02 6005 0.184E-01 0.136E-01 RMM: 4 -0.328550736472E+03 0.26925E-03 -0.44974E-04 4485 0.485E-02 0.909E-02 RMM: 5 -0.328550690411E+03 0.46060E-04 -0.64134E-05 3387 0.237E-02 0.682E-02 RMM: 6 -0.328550679065E+03 0.11346E-04 -0.25665E-05 2563 0.150E-02 4790 T= 5925. E= 0.67555157E+03 F= 0.62771831E+03 E0= 0.65654851E+03 EK= 0.48250E+02 SP= -.48E+00 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326599613718E+03 0.19511E+01 -0.10930E-01 7872 0.223E+01 0.280E-01 RMM: 2 -0.326630116087E+03 -0.30502E-01 -0.10168E-01 4806 0.737E-01 0.180E+00 RMM: 3 -0.326607771609E+03 0.22344E-01 -0.14689E-02 5390 0.278E-01 0.238E-01 RMM: 4 -0.326607380374E+03 0.39123E-03 -0.15852E-03 5132 0.725E-02 0.967E-02 RMM: 5 -0.326607348687E+03 0.31688E-04 -0.16016E-04 3890 0.328E-02 0.891E-02 RMM: 6 -0.326607300733E+03 0.47954E-04 -0.36137E-05 2977 0.180E-02 0.423E-02 RMM: 7 -0.326607299662E+03 0.10708E-05 -0.15997E-05 2505 0.128E-02 4791 T= 5709. E= 0.67556054E+03 F= 0.62966169E+03 E0= 0.65847356E+03 EK= 0.46489E+02 SP= -.68E+00 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324845915924E+03 0.17614E+01 -0.10055E-01 7856 0.219E+01 0.365E-01 RMM: 2 -0.324882043776E+03 -0.36128E-01 -0.92722E-02 5021 0.746E-01 0.209E+00 RMM: 3 -0.324852538761E+03 0.29505E-01 -0.16137E-02 5386 0.311E-01 0.377E-01 RMM: 4 -0.324851525846E+03 0.10129E-02 -0.19347E-03 4937 0.917E-02 0.104E-01 RMM: 5 -0.324851567342E+03 -0.41496E-04 -0.28621E-04 3905 0.405E-02 0.139E-01 RMM: 6 -0.324851447336E+03 0.12001E-03 -0.80593E-05 3546 0.262E-02 0.506E-02 RMM: 7 -0.324851435241E+03 0.12095E-04 -0.18501E-05 2539 0.128E-02 4792 T= 5518. E= 0.67556882E+03 F= 0.63141755E+03 E0= 0.66021056E+03 EK= 0.44935E+02 SP= -.90E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323380897538E+03 0.14705E+01 -0.10338E-01 7592 0.216E+01 0.208E-01 RMM: 2 -0.323398307120E+03 -0.17410E-01 -0.97990E-02 4894 0.726E-01 0.115E+00 RMM: 3 -0.323389111854E+03 0.91953E-02 -0.11589E-02 5502 0.226E-01 0.209E-01 RMM: 4 -0.323388771350E+03 0.34050E-03 -0.97111E-04 5029 0.604E-02 0.785E-02 RMM: 5 -0.323388741999E+03 0.29351E-04 -0.11780E-04 3791 0.289E-02 0.658E-02 RMM: 6 -0.323388713563E+03 0.28436E-04 -0.25292E-05 2631 0.148E-02 0.379E-02 RMM: 7 -0.323388713864E+03 -0.30067E-06 -0.13893E-05 2489 0.120E-02 4793 T= 5366. E= 0.67557630E+03 F= 0.63288028E+03 E0= 0.66165414E+03 EK= 0.43698E+02 SP= -.12E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322310330298E+03 0.10784E+01 -0.10004E-01 7872 0.215E+01 0.212E-01 RMM: 2 -0.322325243487E+03 -0.14913E-01 -0.86272E-02 4974 0.693E-01 0.106E+00 RMM: 3 -0.322317394709E+03 0.78488E-02 -0.10513E-02 5524 0.217E-01 0.204E-01 RMM: 4 -0.322317057511E+03 0.33720E-03 -0.87771E-04 5053 0.576E-02 0.711E-02 RMM: 5 -0.322317039710E+03 0.17801E-04 -0.10619E-04 3817 0.280E-02 4794 T= 5266. E= 0.67558240E+03 F= 0.63395195E+03 E0= 0.66270668E+03 EK= 0.42882E+02 SP= -.15E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321709036091E+03 0.60802E+00 -0.99458E-02 7848 0.214E+01 0.145E-01 RMM: 2 -0.321719849466E+03 -0.10813E-01 -0.88150E-02 5026 0.674E-01 0.642E-01 RMM: 3 -0.321716712423E+03 0.31370E-02 -0.95532E-03 5896 0.181E-01 0.197E-01 RMM: 4 -0.321716330151E+03 0.38227E-03 -0.51068E-04 4495 0.501E-02 0.740E-02 RMM: 5 -0.321716300698E+03 0.29453E-04 -0.64304E-05 3367 0.205E-02 0.690E-02 RMM: 6 -0.321716286161E+03 0.14537E-04 -0.18383E-05 2514 0.130E-02 4795 T= 5227. E= 0.67558631E+03 F= 0.63455270E+03 E0= 0.66328842E+03 EK= 0.42570E+02 SP= -.18E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321630525534E+03 0.85775E-01 -0.10730E-01 7984 0.215E+01 0.355E-01 RMM: 2 -0.321668167735E+03 -0.37642E-01 -0.10698E-01 4827 0.790E-01 0.209E+00 RMM: 3 -0.321638600983E+03 0.29567E-01 -0.16876E-02 5378 0.312E-01 0.360E-01 RMM: 4 -0.321637644027E+03 0.95696E-03 -0.19547E-03 4938 0.866E-02 0.763E-02 RMM: 5 -0.321637651039E+03 -0.70119E-05 -0.22033E-04 3917 0.341E-02 0.972E-02 RMM: 6 -0.321637595912E+03 0.55128E-04 -0.40213E-05 3031 0.189E-02 0.453E-02 RMM: 7 -0.321637591578E+03 0.43334E-05 -0.17512E-05 2510 0.132E-02 4796 T= 5258. E= 0.67558636E+03 F= 0.63463140E+03 E0= 0.66334786E+03 EK= 0.42814E+02 SP= -.22E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322080626907E+03 -0.44303E+00 -0.10796E-01 7864 0.218E+01 0.352E-01 RMM: 2 -0.322120803755E+03 -0.40177E-01 -0.99437E-02 5038 0.735E-01 0.219E+00 RMM: 3 -0.322088241360E+03 0.32562E-01 -0.16675E-02 5376 0.308E-01 0.340E-01 RMM: 4 -0.322087412297E+03 0.82906E-03 -0.20405E-03 4891 0.926E-02 0.135E-01 RMM: 5 -0.322087395364E+03 0.16933E-04 -0.31384E-04 3908 0.425E-02 0.128E-01 RMM: 6 -0.322087281874E+03 0.11349E-03 -0.76918E-05 3508 0.252E-02 0.495E-02 RMM: 7 -0.322087269214E+03 0.12660E-04 -0.19332E-05 2543 0.133E-02 4797 T= 5357. E= 0.67558283E+03 F= 0.63418172E+03 E0= 0.66287859E+03 EK= 0.43627E+02 SP= -.27E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323009104534E+03 -0.92182E+00 -0.11779E-01 7816 0.221E+01 0.274E-01 RMM: 2 -0.323034848026E+03 -0.25743E-01 -0.11335E-01 4836 0.791E-01 0.156E+00 RMM: 3 -0.323018343827E+03 0.16504E-01 -0.15053E-02 5441 0.275E-01 0.285E-01 RMM: 4 -0.323017773451E+03 0.57038E-03 -0.15086E-03 5080 0.742E-02 0.790E-02 RMM: 5 -0.323017739841E+03 0.33609E-04 -0.16301E-04 3876 0.326E-02 0.795E-02 RMM: 6 -0.323017700530E+03 0.39311E-04 -0.33782E-05 2843 0.173E-02 0.451E-02 RMM: 7 -0.323017700664E+03 -0.13367E-06 -0.17257E-05 2517 0.133E-02 4798 T= 5521. E= 0.67557540E+03 F= 0.63325129E+03 E0= 0.66192761E+03 EK= 0.44962E+02 SP= -.32E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324319507405E+03 -0.13018E+01 -0.12091E-01 8176 0.226E+01 0.212E-01 RMM: 2 -0.324336376569E+03 -0.16869E-01 -0.10150E-01 5017 0.730E-01 0.109E+00 RMM: 3 -0.324328051406E+03 0.83252E-02 -0.11797E-02 5594 0.224E-01 0.195E-01 RMM: 4 -0.324327722830E+03 0.32858E-03 -0.92144E-04 4801 0.637E-02 0.971E-02 RMM: 5 -0.324327683988E+03 0.38842E-04 -0.13456E-04 3837 0.300E-02 0.763E-02 RMM: 6 -0.324327646339E+03 0.37649E-04 -0.27258E-05 2689 0.158E-02 0.373E-02 RMM: 7 -0.324327644804E+03 0.15350E-05 -0.12517E-05 2487 0.113E-02 4799 T= 5737. E= 0.67556517E+03 F= 0.63194134E+03 E0= 0.66059622E+03 EK= 0.46721E+02 SP= -.37E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325866581556E+03 -0.15389E+01 -0.12512E-01 8232 0.231E+01 0.240E-01 RMM: 2 -0.325883975277E+03 -0.17394E-01 -0.11352E-01 5018 0.778E-01 0.107E+00 RMM: 3 -0.325876046561E+03 0.79287E-02 -0.13168E-02 5662 0.238E-01 0.255E-01 RMM: 4 -0.325875496696E+03 0.54986E-03 -0.11148E-03 4800 0.710E-02 0.100E-01 RMM: 5 -0.325875453650E+03 0.43046E-04 -0.16470E-04 3885 0.321E-02 0.874E-02 RMM: 6 -0.325875404049E+03 0.49601E-04 -0.35302E-05 2871 0.180E-02 0.428E-02 RMM: 7 -0.325875400985E+03 0.30638E-05 -0.15985E-05 2497 0.125E-02 4800 T= 5988. E= 0.67555384E+03 F= 0.63039359E+03 E0= 0.65902706E+03 EK= 0.48762E+02 SP= -.43E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327489051567E+03 -0.16136E+01 -0.13255E-01 8320 0.236E+01 0.196E-01 RMM: 2 -0.327507198371E+03 -0.18147E-01 -0.12692E-01 4922 0.810E-01 0.998E-01 RMM: 3 -0.327500091720E+03 0.71067E-02 -0.14558E-02 5776 0.236E-01 0.196E-01 RMM: 4 -0.327499706227E+03 0.38549E-03 -0.89571E-04 4820 0.644E-02 0.101E-01 RMM: 5 -0.327499651353E+03 0.54874E-04 -0.13562E-04 3831 0.308E-02 0.746E-02 RMM: 6 -0.327499621172E+03 0.30181E-04 -0.31003E-05 2743 0.164E-02 0.470E-02 RMM: 7 -0.327499621671E+03 -0.49938E-06 -0.21035E-05 2546 0.141E-02 4801 T= 6253. E= 0.67554300E+03 F= 0.62876937E+03 E0= 0.65738271E+03 EK= 0.50920E+02 SP= -.48E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329031926630E+03 -0.15323E+01 -0.13638E-01 8256 0.241E+01 0.213E-01 RMM: 2 -0.329049266453E+03 -0.17340E-01 -0.13514E-01 4961 0.832E-01 0.885E-01 RMM: 3 -0.329043485622E+03 0.57808E-02 -0.14472E-02 5861 0.236E-01 0.224E-01 RMM: 4 -0.329043012597E+03 0.47302E-03 -0.94606E-04 4779 0.680E-02 0.115E-01 RMM: 5 -0.329042946839E+03 0.65759E-04 -0.16164E-04 3889 0.335E-02 0.917E-02 RMM: 6 -0.329042893799E+03 0.53039E-04 -0.38856E-05 2979 0.189E-02 0.412E-02 RMM: 7 -0.329042892153E+03 0.16461E-05 -0.17515E-05 2504 0.131E-02 4802 T= 6512. E= 0.67553379E+03 F= 0.62722610E+03 E0= 0.65582282E+03 EK= 0.53032E+02 SP= -.54E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330359764568E+03 -0.13169E+01 -0.14082E-01 8544 0.244E+01 0.202E-01 RMM: 2 -0.330377296558E+03 -0.17532E-01 -0.13571E-01 5019 0.826E-01 0.878E-01 RMM: 3 -0.330371398625E+03 0.58979E-02 -0.13873E-02 5948 0.228E-01 0.211E-01 RMM: 4 -0.330370918310E+03 0.48031E-03 -0.81953E-04 4747 0.644E-02 0.992E-02 RMM: 5 -0.330370864520E+03 0.53790E-04 -0.13129E-04 3840 0.307E-02 0.783E-02 RMM: 6 -0.330370831202E+03 0.33318E-04 -0.28743E-05 2654 0.161E-02 0.487E-02 RMM: 7 -0.330370828533E+03 0.26694E-05 -0.19910E-05 2509 0.138E-02 4803 T= 6748. E= 0.67552699E+03 F= 0.62589816E+03 E0= 0.65448350E+03 EK= 0.54952E+02 SP= -.60E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331374842922E+03 -0.10040E+01 -0.14216E-01 8592 0.247E+01 0.183E-01 RMM: 2 -0.331390612712E+03 -0.15770E-01 -0.12768E-01 5167 0.780E-01 0.800E-01 RMM: 3 -0.331385404282E+03 0.52084E-02 -0.11145E-02 5879 0.212E-01 0.171E-01 RMM: 4 -0.331385150342E+03 0.25394E-03 -0.68554E-04 4819 0.567E-02 0.110E-01 RMM: 5 -0.331385073056E+03 0.77286E-04 -0.11002E-04 3757 0.292E-02 0.741E-02 RMM: 6 -0.331385041895E+03 0.31160E-04 -0.29239E-05 2728 0.163E-02 0.454E-02 RMM: 7 -0.331385036833E+03 0.50626E-05 -0.25222E-05 2562 0.152E-02 4804 T= 6947. E= 0.67552276E+03 F= 0.62488395E+03 E0= 0.65346560E+03 EK= 0.56571E+02 SP= -.66E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332017478727E+03 -0.63244E+00 -0.14001E-01 8600 0.249E+01 0.189E-01 RMM: 2 -0.332034648532E+03 -0.17170E-01 -0.13466E-01 5172 0.800E-01 0.861E-01 RMM: 3 -0.332028686718E+03 0.59618E-02 -0.11881E-02 5926 0.215E-01 0.173E-01 RMM: 4 -0.332028407394E+03 0.27932E-03 -0.71981E-04 4713 0.597E-02 0.116E-01 RMM: 5 -0.332028322542E+03 0.84852E-04 -0.12168E-04 3807 0.299E-02 0.747E-02 RMM: 6 -0.332028292653E+03 0.29889E-04 -0.31807E-05 2841 0.172E-02 0.448E-02 RMM: 7 -0.332028292706E+03 -0.53558E-07 -0.20331E-05 2529 0.137E-02 4805 T= 7100. E= 0.67552070E+03 F= 0.62424070E+03 E0= 0.65282707E+03 EK= 0.57818E+02 SP= -.71E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332267189887E+03 -0.23890E+00 -0.14629E-01 8496 0.250E+01 0.183E-01 RMM: 2 -0.332284691216E+03 -0.17501E-01 -0.14345E-01 5057 0.838E-01 0.810E-01 RMM: 3 -0.332279403529E+03 0.52877E-02 -0.13087E-02 5979 0.226E-01 0.168E-01 RMM: 4 -0.332279104801E+03 0.29873E-03 -0.68845E-04 4783 0.591E-02 0.105E-01 RMM: 5 -0.332279027283E+03 0.77518E-04 -0.10513E-04 3705 0.283E-02 0.675E-02 RMM: 6 -0.332279006236E+03 0.21047E-04 -0.27257E-05 2580 0.155E-02 0.457E-02 RMM: 7 -0.332279007648E+03 -0.14122E-05 -0.27938E-05 2601 0.156E-02 4806 T= 7204. E= 0.67552182E+03 F= 0.62398998E+03 E0= 0.65258992E+03 EK= 0.58662E+02 SP= -.77E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332145231035E+03 0.13378E+00 -0.14696E-01 8608 0.250E+01 0.174E-01 RMM: 2 -0.332161153654E+03 -0.15923E-01 -0.13733E-01 5283 0.797E-01 0.703E-01 RMM: 3 -0.332156681701E+03 0.44720E-02 -0.10900E-02 6012 0.203E-01 0.129E-01 RMM: 4 -0.332156547566E+03 0.13414E-03 -0.60325E-04 4699 0.558E-02 0.141E-01 RMM: 5 -0.332156410120E+03 0.13745E-03 -0.10447E-04 3663 0.276E-02 0.592E-02 RMM: 6 -0.332156395509E+03 0.14611E-04 -0.25389E-05 2601 0.151E-02 4807 T= 7259. E= 0.67552518E+03 F= 0.62411259E+03 E0= 0.65273359E+03 EK= 0.59111E+02 SP= -.82E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331699368111E+03 0.45704E+00 -0.15065E-01 8608 0.250E+01 0.201E-01 RMM: 2 -0.331720393754E+03 -0.21026E-01 -0.14928E-01 5141 0.847E-01 0.104E+00 RMM: 3 -0.331712075000E+03 0.83188E-02 -0.13589E-02 5769 0.234E-01 0.179E-01 RMM: 4 -0.331711780066E+03 0.29493E-03 -0.83916E-04 4850 0.624E-02 0.109E-01 RMM: 5 -0.331711691881E+03 0.88185E-04 -0.11766E-04 3871 0.278E-02 0.687E-02 RMM: 6 -0.331711672285E+03 0.19596E-04 -0.30383E-05 2751 0.163E-02 4808 T= 7271. E= 0.67553095E+03 F= 0.62455732E+03 E0= 0.65320501E+03 EK= 0.59211E+02 SP= -.87E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331010776786E+03 0.70092E+00 -0.14428E-01 8600 0.249E+01 0.350E-01 RMM: 2 -0.331055017562E+03 -0.44241E-01 -0.14532E-01 5222 0.867E-01 0.216E+00 RMM: 3 -0.331021938875E+03 0.33079E-01 -0.18027E-02 5395 0.313E-01 0.280E-01 RMM: 4 -0.331021345011E+03 0.59386E-03 -0.19419E-03 4987 0.872E-02 0.916E-02 RMM: 5 -0.331021319209E+03 0.25802E-04 -0.19905E-04 4076 0.325E-02 0.104E-01 RMM: 6 -0.331021256274E+03 0.62935E-04 -0.41929E-05 3025 0.194E-02 0.506E-02 RMM: 7 -0.331021266688E+03 -0.10414E-04 -0.29598E-05 2629 0.167E-02 4809 T= 7249. E= 0.67553734E+03 F= 0.62524772E+03 E0= 0.65392498E+03 EK= 0.59032E+02 SP= -.91E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330165679737E+03 0.85558E+00 -0.14707E-01 8456 0.247E+01 0.327E-01 RMM: 2 -0.330193916297E+03 -0.28237E-01 -0.15469E-01 5130 0.890E-01 0.149E+00 RMM: 3 -0.330178139543E+03 0.15777E-01 -0.17419E-02 5425 0.299E-01 0.368E-01 RMM: 4 -0.330177191686E+03 0.94786E-03 -0.19226E-03 4944 0.922E-02 0.102E-01 RMM: 5 -0.330177200797E+03 -0.91116E-05 -0.25370E-04 3937 0.378E-02 0.121E-01 RMM: 6 -0.330177104918E+03 0.95879E-04 -0.56948E-05 3292 0.218E-02 0.367E-02 RMM: 7 -0.330177104120E+03 0.79803E-06 -0.18894E-05 2515 0.133E-02 4810 T= 7204. E= 0.67554412E+03 F= 0.62609189E+03 E0= 0.65479838E+03 EK= 0.58666E+02 SP= -.96E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329257464027E+03 0.91964E+00 -0.14992E-01 8720 0.246E+01 0.257E-01 RMM: 2 -0.329281902688E+03 -0.24439E-01 -0.15574E-01 5172 0.882E-01 0.128E+00 RMM: 3 -0.329270203815E+03 0.11699E-01 -0.15773E-02 5744 0.259E-01 0.172E-01 RMM: 4 -0.329269883661E+03 0.32015E-03 -0.11490E-03 4979 0.680E-02 0.121E-01 RMM: 5 -0.329269805821E+03 0.77840E-04 -0.14379E-04 3893 0.322E-02 0.839E-02 RMM: 6 -0.329269763159E+03 0.42662E-04 -0.40117E-05 3024 0.187E-02 0.451E-02 RMM: 7 -0.329269773465E+03 -0.10305E-04 -0.28653E-05 2587 0.157E-02 4811 T= 7147. E= 0.67554970E+03 F= 0.62699922E+03 E0= 0.65573124E+03 EK= 0.58203E+02 SP= -.99E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328356750662E+03 0.91301E+00 -0.15811E-01 8480 0.245E+01 0.220E-01 RMM: 2 -0.328379255127E+03 -0.22504E-01 -0.16944E-01 5076 0.922E-01 0.104E+00 RMM: 3 -0.328371162065E+03 0.80931E-02 -0.16481E-02 5877 0.250E-01 0.211E-01 RMM: 4 -0.328370669746E+03 0.49232E-03 -0.97210E-04 4886 0.688E-02 0.919E-02 RMM: 5 -0.328370644315E+03 0.25431E-04 -0.13765E-04 3885 0.302E-02 0.883E-02 RMM: 6 -0.328370599249E+03 0.45066E-04 -0.33498E-05 2911 0.176E-02 0.411E-02 RMM: 7 -0.328370603904E+03 -0.46550E-05 -0.17367E-05 2513 0.129E-02 4812 T= 7087. E= 0.67555281E+03 F= 0.62789839E+03 E0= 0.65665007E+03 EK= 0.57714E+02 SP= -.10E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327509890812E+03 0.86071E+00 -0.15528E-01 8504 0.245E+01 0.204E-01 RMM: 2 -0.327531469143E+03 -0.21578E-01 -0.17400E-01 4918 0.946E-01 0.931E-01 RMM: 3 -0.327524875013E+03 0.65941E-02 -0.17778E-02 5978 0.257E-01 0.180E-01 RMM: 4 -0.327524450605E+03 0.42441E-03 -0.90754E-04 4900 0.674E-02 0.108E-01 RMM: 5 -0.327524396057E+03 0.54549E-04 -0.13647E-04 3876 0.311E-02 0.840E-02 RMM: 6 -0.327524355620E+03 0.40437E-04 -0.35967E-05 2932 0.180E-02 0.415E-02 RMM: 7 -0.327524359668E+03 -0.40480E-05 -0.23060E-05 2538 0.148E-02 4813 T= 7030. E= 0.67555378E+03 F= 0.62874463E+03 E0= 0.65750773E+03 EK= 0.57249E+02 SP= -.11E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326734197059E+03 0.79016E+00 -0.14134E-01 8512 0.244E+01 0.201E-01 RMM: 2 -0.326752257909E+03 -0.18061E-01 -0.13903E-01 4910 0.862E-01 0.923E-01 RMM: 3 -0.326746057753E+03 0.62002E-02 -0.14687E-02 5965 0.244E-01 0.198E-01 RMM: 4 -0.326745631927E+03 0.42583E-03 -0.79448E-04 4846 0.633E-02 0.913E-02 RMM: 5 -0.326745595672E+03 0.36255E-04 -0.11447E-04 3755 0.292E-02 0.795E-02 RMM: 6 -0.326745564139E+03 0.31533E-04 -0.30163E-05 2691 0.167E-02 0.485E-02 RMM: 7 -0.326745571274E+03 -0.71352E-05 -0.26730E-05 2577 0.157E-02 4814 T= 6978. E= 0.67555301E+03 F= 0.62952342E+03 E0= 0.65828899E+03 EK= 0.56824E+02 SP= -.11E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326011077021E+03 0.73449E+00 -0.14493E-01 8400 0.244E+01 0.206E-01 RMM: 2 -0.326031493436E+03 -0.20416E-01 -0.15316E-01 4862 0.906E-01 0.991E-01 RMM: 3 -0.326024303127E+03 0.71903E-02 -0.16602E-02 5803 0.259E-01 0.218E-01 RMM: 4 -0.326023813393E+03 0.48973E-03 -0.95345E-04 4867 0.684E-02 0.853E-02 RMM: 5 -0.326023788039E+03 0.25353E-04 -0.13576E-04 3910 0.310E-02 0.813E-02 RMM: 6 -0.326023751011E+03 0.37028E-04 -0.32264E-05 2835 0.170E-02 0.423E-02 RMM: 7 -0.326023755348E+03 -0.43366E-05 -0.21464E-05 2526 0.147E-02 4815 T= 6930. E= 0.67555142E+03 F= 0.63024523E+03 E0= 0.65900360E+03 EK= 0.56434E+02 SP= -.11E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325322380391E+03 0.70137E+00 -0.13436E-01 8472 0.245E+01 0.205E-01 RMM: 2 -0.325339849908E+03 -0.17470E-01 -0.12385E-01 4906 0.823E-01 0.977E-01 RMM: 3 -0.325332868882E+03 0.69810E-02 -0.13395E-02 5739 0.244E-01 0.208E-01 RMM: 4 -0.325332482636E+03 0.38625E-03 -0.84442E-04 4791 0.641E-02 0.892E-02 RMM: 5 -0.325332451192E+03 0.31444E-04 -0.11812E-04 3740 0.299E-02 0.783E-02 RMM: 6 -0.325332417347E+03 0.33845E-04 -0.29664E-05 2695 0.165E-02 0.458E-02 RMM: 7 -0.325332420849E+03 -0.35017E-05 -0.21547E-05 2528 0.147E-02 4816 T= 6883. E= 0.67554981E+03 F= 0.63093657E+03 E0= 0.65967797E+03 EK= 0.56054E+02 SP= -.12E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324625510038E+03 0.70691E+00 -0.13004E-01 8040 0.245E+01 0.211E-01 RMM: 2 -0.324644227227E+03 -0.18717E-01 -0.12831E-01 4817 0.846E-01 0.105E+00 RMM: 3 -0.324636430289E+03 0.77969E-02 -0.14523E-02 5631 0.254E-01 0.229E-01 RMM: 4 -0.324635987721E+03 0.44257E-03 -0.97243E-04 4853 0.677E-02 0.794E-02 RMM: 5 -0.324635971466E+03 0.16256E-04 -0.13554E-04 3901 0.310E-02 4817 T= 6834. E= 0.67554853E+03 F= 0.63163302E+03 E0= 0.66034848E+03 EK= 0.55652E+02 SP= -.12E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323881025205E+03 0.75496E+00 -0.13095E-01 7992 0.245E+01 0.142E-01 RMM: 2 -0.323895142722E+03 -0.14118E-01 -0.12542E-01 4913 0.816E-01 0.611E-01 RMM: 3 -0.323892069422E+03 0.30733E-02 -0.13394E-02 5933 0.223E-01 0.144E-01 RMM: 4 -0.323891789225E+03 0.28020E-03 -0.52737E-04 4789 0.524E-02 0.922E-02 RMM: 5 -0.323891745969E+03 0.43256E-04 -0.69727E-05 3392 0.255E-02 0.781E-02 RMM: 6 -0.323891732451E+03 0.13518E-04 -0.31015E-05 2591 0.170E-02 4818 T= 6777. E= 0.67554753E+03 F= 0.63237726E+03 E0= 0.66105863E+03 EK= 0.55186E+02 SP= -.12E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323048657752E+03 0.84309E+00 -0.12922E-01 7784 0.244E+01 0.352E-01 RMM: 2 -0.323090043935E+03 -0.41386E-01 -0.14403E-01 4683 0.910E-01 0.206E+00 RMM: 3 -0.323060150666E+03 0.29893E-01 -0.21399E-02 5371 0.343E-01 0.312E-01 RMM: 4 -0.323059490622E+03 0.66004E-03 -0.22558E-03 5308 0.927E-02 0.107E-01 RMM: 5 -0.323059518368E+03 -0.27746E-04 -0.26542E-04 3939 0.377E-02 0.131E-01 RMM: 6 -0.323059407962E+03 0.11041E-03 -0.67143E-05 3426 0.235E-02 0.462E-02 RMM: 7 -0.323059400434E+03 0.75282E-05 -0.18787E-05 2528 0.131E-02 4819 T= 6707. E= 0.67554633E+03 F= 0.63320959E+03 E0= 0.66185180E+03 EK= 0.54619E+02 SP= -.12E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322100144542E+03 0.95926E+00 -0.12913E-01 8056 0.244E+01 0.378E-01 RMM: 2 -0.322149347230E+03 -0.49203E-01 -0.14671E-01 4837 0.900E-01 0.234E+00 RMM: 3 -0.322111349132E+03 0.37998E-01 -0.21767E-02 5369 0.351E-01 0.316E-01 RMM: 4 -0.322110640762E+03 0.70837E-03 -0.23752E-03 5251 0.965E-02 0.133E-01 RMM: 5 -0.322110584966E+03 0.55796E-04 -0.26970E-04 3936 0.370E-02 0.123E-01 RMM: 6 -0.322110480944E+03 0.10402E-03 -0.74203E-05 3519 0.246E-02 0.491E-02 RMM: 7 -0.322110476444E+03 0.45007E-05 -0.22423E-05 2556 0.137E-02 4820 T= 6622. E= 0.67554765E+03 F= 0.63415851E+03 E0= 0.66275791E+03 EK= 0.53927E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321036193441E+03 0.10743E+01 -0.13073E-01 8216 0.243E+01 0.289E-01 RMM: 2 -0.321066789359E+03 -0.30596E-01 -0.15088E-01 4849 0.893E-01 0.161E+00 RMM: 3 -0.321048701737E+03 0.18088E-01 -0.18826E-02 5468 0.299E-01 0.261E-01 RMM: 4 -0.321048165997E+03 0.53574E-03 -0.16858E-03 5060 0.803E-02 0.961E-02 RMM: 5 -0.321048138075E+03 0.27922E-04 -0.19019E-04 3970 0.352E-02 0.911E-02 RMM: 6 -0.321048087711E+03 0.50364E-04 -0.38923E-05 2983 0.182E-02 0.459E-02 RMM: 7 -0.321048089649E+03 -0.19383E-05 -0.17054E-05 2516 0.136E-02 4821 T= 6522. E= 0.67555136E+03 F= 0.63522090E+03 E0= 0.66377615E+03 EK= 0.53115E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319902613121E+03 0.11455E+01 -0.12984E-01 8296 0.241E+01 0.234E-01 RMM: 2 -0.319924417913E+03 -0.21805E-01 -0.15278E-01 4961 0.872E-01 0.111E+00 RMM: 3 -0.319915433563E+03 0.89843E-02 -0.16473E-02 5661 0.260E-01 0.222E-01 RMM: 4 -0.319914997186E+03 0.43638E-03 -0.11530E-03 4828 0.721E-02 0.113E-01 RMM: 5 -0.319914928719E+03 0.68467E-04 -0.15734E-04 4043 0.303E-02 0.861E-02 RMM: 6 -0.319914887469E+03 0.41251E-04 -0.31918E-05 2795 0.171E-02 0.482E-02 RMM: 7 -0.319914887346E+03 0.12263E-06 -0.20023E-05 2524 0.142E-02 4822 T= 6414. E= 0.67555725E+03 F= 0.63635410E+03 E0= 0.66486646E+03 EK= 0.52229E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318779784878E+03 0.11351E+01 -0.13297E-01 8728 0.239E+01 0.225E-01 RMM: 2 -0.318800638622E+03 -0.20854E-01 -0.14394E-01 5096 0.835E-01 0.110E+00 RMM: 3 -0.318791754064E+03 0.88846E-02 -0.14113E-02 5700 0.243E-01 0.216E-01 RMM: 4 -0.318791344086E+03 0.40998E-03 -0.10124E-03 4786 0.675E-02 0.980E-02 RMM: 5 -0.318791302106E+03 0.41980E-04 -0.13498E-04 3970 0.287E-02 0.813E-02 RMM: 6 -0.318791269685E+03 0.32421E-04 -0.29420E-05 2758 0.163E-02 0.525E-02 RMM: 7 -0.318791278481E+03 -0.87958E-05 -0.23865E-05 2575 0.149E-02 4823 T= 6306. E= 0.67556484E+03 F= 0.63747771E+03 E0= 0.66594953E+03 EK= 0.51354E+02 SP= -.13E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317776575056E+03 0.10147E+01 -0.13818E-01 8824 0.238E+01 0.254E-01 RMM: 2 -0.317799214760E+03 -0.22640E-01 -0.14650E-01 5142 0.844E-01 0.120E+00 RMM: 3 -0.317788525457E+03 0.10689E-01 -0.14956E-02 5639 0.253E-01 0.217E-01 RMM: 4 -0.317788102945E+03 0.42251E-03 -0.11577E-03 4867 0.699E-02 0.106E-01 RMM: 5 -0.317788064265E+03 0.38680E-04 -0.15543E-04 3915 0.309E-02 0.920E-02 RMM: 6 -0.317788016126E+03 0.48139E-04 -0.37682E-05 2996 0.184E-02 0.459E-02 RMM: 7 -0.317788019600E+03 -0.34739E-05 -0.19109E-05 2530 0.136E-02 4824 T= 6214. E= 0.67557298E+03 F= 0.63848097E+03 E0= 0.66691682E+03 EK= 0.50604E+02 SP= -.14E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317014555989E+03 0.77346E+00 -0.15031E-01 8712 0.236E+01 0.244E-01 RMM: 2 -0.317040115741E+03 -0.25560E-01 -0.16424E-01 5109 0.899E-01 0.127E+00 RMM: 3 -0.317028495757E+03 0.11620E-01 -0.16584E-02 5693 0.260E-01 0.245E-01 RMM: 4 -0.317027926456E+03 0.56930E-03 -0.11902E-03 4802 0.730E-02 0.942E-02 RMM: 5 -0.317027897807E+03 0.28649E-04 -0.16507E-04 4002 0.311E-02 0.888E-02 RMM: 6 -0.317027855023E+03 0.42785E-04 -0.33526E-05 2874 0.172E-02 0.513E-02 RMM: 7 -0.317027861606E+03 -0.65835E-05 -0.22379E-05 2558 0.144E-02 4825 T= 6153. E= 0.67558030E+03 F= 0.63924113E+03 E0= 0.66764613E+03 EK= 0.50103E+02 SP= -.14E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316609837487E+03 0.41802E+00 -0.15052E-01 8920 0.236E+01 0.269E-01 RMM: 2 -0.316634384690E+03 -0.24547E-01 -0.16079E-01 5077 0.908E-01 0.124E+00 RMM: 3 -0.316623148274E+03 0.11236E-01 -0.16878E-02 5660 0.271E-01 0.238E-01 RMM: 4 -0.316622617780E+03 0.53049E-03 -0.13143E-03 5044 0.721E-02 0.928E-02 RMM: 5 -0.316622608504E+03 0.92763E-05 -0.17225E-04 3913 0.336E-02 4826 T= 6136. E= 0.67558544E+03 F= 0.63964638E+03 E0= 0.66802784E+03 EK= 0.49966E+02 SP= -.14E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316638360115E+03 -0.15742E-01 -0.14732E-01 8992 0.236E+01 0.169E-01 RMM: 2 -0.316655893257E+03 -0.17533E-01 -0.14858E-01 5279 0.844E-01 0.746E-01 RMM: 3 -0.316651521603E+03 0.43717E-02 -0.13634E-02 6045 0.213E-01 0.192E-01 RMM: 4 -0.316651059060E+03 0.46254E-03 -0.64706E-04 4672 0.557E-02 0.102E-01 RMM: 5 -0.316651005186E+03 0.53874E-04 -0.91197E-05 3763 0.241E-02 0.899E-02 RMM: 6 -0.316650993979E+03 0.11208E-04 -0.40150E-05 2925 0.185E-02 4827 T= 6173. E= 0.67558698E+03 F= 0.63961800E+03 E0= 0.66798383E+03 EK= 0.50272E+02 SP= -.14E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317132559592E+03 -0.48155E+00 -0.14510E-01 8776 0.238E+01 0.429E-01 RMM: 2 -0.317190843586E+03 -0.58284E-01 -0.16305E-01 4955 0.941E-01 0.258E+00 RMM: 3 -0.317145093728E+03 0.45750E-01 -0.24857E-02 5373 0.377E-01 0.402E-01 RMM: 4 -0.317143886725E+03 0.12070E-02 -0.29729E-03 5316 0.107E-01 0.105E-01 RMM: 5 -0.317143906663E+03 -0.19938E-04 -0.32778E-04 3959 0.384E-02 0.132E-01 RMM: 6 -0.317143802715E+03 0.10395E-03 -0.66518E-05 3405 0.224E-02 0.548E-02 RMM: 7 -0.317143794951E+03 0.77639E-05 -0.22129E-05 2561 0.140E-02 4828 T= 6269. E= 0.67558419E+03 F= 0.63912519E+03 E0= 0.66748552E+03 EK= 0.51054E+02 SP= -.15E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318061637274E+03 -0.91783E+00 -0.13140E-01 8624 0.241E+01 0.447E-01 RMM: 2 -0.318121007241E+03 -0.59370E-01 -0.15469E-01 5127 0.929E-01 0.264E+00 RMM: 3 -0.318073324854E+03 0.47682E-01 -0.25396E-02 5379 0.387E-01 0.447E-01 RMM: 4 -0.318071872311E+03 0.14525E-02 -0.30927E-03 5298 0.112E-01 0.124E-01 RMM: 5 -0.318071857168E+03 0.15142E-04 -0.36766E-04 3950 0.412E-02 0.138E-01 RMM: 6 -0.318071737723E+03 0.11945E-03 -0.82756E-05 3584 0.252E-02 0.578E-02 RMM: 7 -0.318071732956E+03 0.47666E-05 -0.24315E-05 2601 0.140E-02 4829 T= 6420. E= 0.67557750E+03 F= 0.63819726E+03 E0= 0.66656326E+03 EK= 0.52281E+02 SP= -.15E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319336870118E+03 -0.12651E+01 -0.12008E-01 8088 0.244E+01 0.319E-01 RMM: 2 -0.319367991581E+03 -0.31121E-01 -0.12785E-01 5159 0.833E-01 0.175E+00 RMM: 3 -0.319347005989E+03 0.20986E-01 -0.16423E-02 5437 0.293E-01 0.311E-01 RMM: 4 -0.319346299737E+03 0.70625E-03 -0.17537E-03 4862 0.828E-02 0.107E-01 RMM: 5 -0.319346255453E+03 0.44284E-04 -0.21454E-04 3910 0.361E-02 0.971E-02 RMM: 6 -0.319346195931E+03 0.59522E-04 -0.46682E-05 3144 0.201E-02 0.493E-02 RMM: 7 -0.319346197358E+03 -0.14271E-05 -0.19096E-05 2546 0.137E-02 4830 T= 6614. E= 0.67556749E+03 F= 0.63692279E+03 E0= 0.66530503E+03 EK= 0.53863E+02 SP= -.15E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320818205653E+03 -0.14720E+01 -0.11400E-01 7960 0.248E+01 0.298E-01 RMM: 2 -0.320843657777E+03 -0.25452E-01 -0.11576E-01 5177 0.819E-01 0.156E+00 RMM: 3 -0.320827248865E+03 0.16409E-01 -0.14324E-02 5437 0.271E-01 0.265E-01 RMM: 4 -0.320826736588E+03 0.51228E-03 -0.14685E-03 4784 0.768E-02 0.105E-01 RMM: 5 -0.320826676447E+03 0.60141E-04 -0.17720E-04 3915 0.329E-02 0.893E-02 RMM: 6 -0.320826630366E+03 0.46082E-04 -0.38896E-05 2995 0.186E-02 0.471E-02 RMM: 7 -0.320826629332E+03 0.10335E-05 -0.20739E-05 2535 0.141E-02 4831 T= 6834. E= 0.67555538E+03 F= 0.63544236E+03 E0= 0.66385130E+03 EK= 0.55654E+02 SP= -.16E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322327338368E+03 -0.15007E+01 -0.11549E-01 7568 0.253E+01 0.223E-01 RMM: 2 -0.322343350401E+03 -0.16012E-01 -0.10921E-01 5123 0.805E-01 0.102E+00 RMM: 3 -0.322336493565E+03 0.68568E-02 -0.12095E-02 5651 0.221E-01 0.199E-01 RMM: 4 -0.322336161945E+03 0.33162E-03 -0.91040E-04 4728 0.656E-02 0.125E-01 RMM: 5 -0.322336071588E+03 0.90357E-04 -0.14632E-04 3871 0.308E-02 0.822E-02 RMM: 6 -0.322336031516E+03 0.40072E-04 -0.35721E-05 2952 0.182E-02 0.423E-02 RMM: 7 -0.322336030316E+03 0.11996E-05 -0.20534E-05 2526 0.136E-02 4832 T= 7057. E= 0.67554277E+03 F= 0.63393296E+03 E0= 0.66237605E+03 EK= 0.57470E+02 SP= -.16E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323677566876E+03 -0.13415E+01 -0.11951E-01 7696 0.256E+01 0.236E-01 RMM: 2 -0.323694684534E+03 -0.17118E-01 -0.11268E-01 5090 0.831E-01 0.110E+00 RMM: 3 -0.323686830022E+03 0.78545E-02 -0.12355E-02 5612 0.228E-01 0.194E-01 RMM: 4 -0.323686531309E+03 0.29871E-03 -0.94698E-04 4695 0.680E-02 0.132E-01 RMM: 5 -0.323686425975E+03 0.10533E-03 -0.16615E-04 3870 0.338E-02 0.821E-02 RMM: 6 -0.323686390104E+03 0.35871E-04 -0.40709E-05 3028 0.191E-02 0.440E-02 RMM: 7 -0.323686386181E+03 0.39232E-05 -0.22417E-05 2517 0.145E-02 4833 T= 7259. E= 0.67553181E+03 F= 0.63258260E+03 E0= 0.66106487E+03 EK= 0.59116E+02 SP= -.16E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324699674356E+03 -0.10133E+01 -0.12119E-01 7704 0.260E+01 0.216E-01 RMM: 2 -0.324715261124E+03 -0.15587E-01 -0.11758E-01 5090 0.842E-01 0.932E-01 RMM: 3 -0.324709667327E+03 0.55938E-02 -0.12996E-02 5842 0.217E-01 0.173E-01 RMM: 4 -0.324709381873E+03 0.28545E-03 -0.80846E-04 4682 0.659E-02 0.151E-01 RMM: 5 -0.324709229660E+03 0.15221E-03 -0.15658E-04 3864 0.333E-02 0.737E-02 RMM: 6 -0.324709204496E+03 0.25164E-04 -0.32527E-05 2825 0.171E-02 0.494E-02 RMM: 7 -0.324709196005E+03 0.84908E-05 -0.24458E-05 2531 0.149E-02 4834 T= 7418. E= 0.67552420E+03 F= 0.63155979E+03 E0= 0.66008297E+03 EK= 0.60412E+02 SP= -.17E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325272035397E+03 -0.56283E+00 -0.13184E-01 7864 0.261E+01 0.200E-01 RMM: 2 -0.325288698126E+03 -0.16663E-01 -0.13834E-01 4973 0.897E-01 0.834E-01 RMM: 3 -0.325284129993E+03 0.45681E-02 -0.15766E-02 6003 0.228E-01 0.165E-01 RMM: 4 -0.325283756639E+03 0.37335E-03 -0.79780E-04 4723 0.682E-02 0.146E-01 RMM: 5 -0.325283611584E+03 0.14506E-03 -0.14748E-04 3864 0.335E-02 0.711E-02 RMM: 6 -0.325283592627E+03 0.18957E-04 -0.30374E-05 2711 0.164E-02 4835 T= 7519. E= 0.67552154E+03 F= 0.63098540E+03 E0= 0.65954881E+03 EK= 0.61229E+02 SP= -.17E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325342716874E+03 -0.59105E-01 -0.13717E-01 7632 0.262E+01 0.211E-01 RMM: 2 -0.325364644043E+03 -0.21927E-01 -0.15590E-01 4834 0.936E-01 0.108E+00 RMM: 3 -0.325356619759E+03 0.80243E-02 -0.18503E-02 5830 0.260E-01 0.208E-01 RMM: 4 -0.325356109261E+03 0.51050E-03 -0.98008E-04 4816 0.705E-02 0.108E-01 RMM: 5 -0.325356027327E+03 0.81934E-04 -0.13905E-04 4051 0.311E-02 0.765E-02 RMM: 6 -0.325356007278E+03 0.20049E-04 -0.28921E-05 2577 0.158E-02 0.674E-02 RMM: 7 -0.325355995866E+03 0.11412E-04 -0.51106E-05 3153 0.204E-02 4836 T= 7553. E= 0.67552261E+03 F= 0.63091299E+03 E0= 0.65951573E+03 EK= 0.61505E+02 SP= -.17E+02 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324930796174E+03 0.42521E+00 -0.13080E-01 7704 0.261E+01 0.224E-01 RMM: 2 -0.324948475114E+03 -0.17679E-01 -0.12641E-01 4859 0.859E-01 0.992E-01 RMM: 3 -0.324941642839E+03 0.68323E-02 -0.14949E-02 5769 0.248E-01 0.213E-01 RMM: 4 -0.324941278855E+03 0.36398E-03 -0.10738E-03 4756 0.763E-02 0.143E-01 RMM: 5 -0.324941148936E+03 0.12992E-03 -0.17973E-04 3888 0.351E-02 0.816E-02 RMM: 6 -0.324941112485E+03 0.36451E-04 -0.33655E-05 2875 0.177E-02 0.411E-02 RMM: 7 -0.324941112189E+03 0.29639E-06 -0.21697E-05 2545 0.142E-02 4837 T= 7522. E= 0.67552880E+03 F= 0.63132788E+03 E0= 0.65996798E+03 EK= 0.61252E+02 SP= -.17E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324108933060E+03 0.83218E+00 -0.13842E-01 7600 0.259E+01 0.178E-01 RMM: 2 -0.324128530095E+03 -0.19597E-01 -0.16370E-01 4781 0.938E-01 0.826E-01 RMM: 3 -0.324123418310E+03 0.51118E-02 -0.18589E-02 6021 0.253E-01 0.151E-01 RMM: 4 -0.324123023298E+03 0.39501E-03 -0.78104E-04 4800 0.658E-02 0.119E-01 RMM: 5 -0.324122926486E+03 0.96812E-04 -0.11475E-04 3798 0.315E-02 0.680E-02 RMM: 6 -0.324122909157E+03 0.17329E-04 -0.30285E-05 2608 0.165E-02 4838 T= 7436. E= 0.67553940E+03 F= 0.63214608E+03 E0= 0.66082178E+03 EK= 0.60555E+02 SP= -.17E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323029061962E+03 0.10939E+01 -0.13166E-01 7576 0.255E+01 0.236E-01 RMM: 2 -0.323054208866E+03 -0.25147E-01 -0.13962E-01 4884 0.871E-01 0.134E+00 RMM: 3 -0.323041004150E+03 0.13205E-01 -0.16341E-02 5483 0.278E-01 0.227E-01 RMM: 4 -0.323040631386E+03 0.37276E-03 -0.12759E-03 4987 0.729E-02 0.931E-02 RMM: 5 -0.323040576244E+03 0.55143E-04 -0.13971E-04 4116 0.303E-02 0.808E-02 RMM: 6 -0.323040548569E+03 0.27675E-04 -0.30622E-05 2663 0.165E-02 0.627E-02 RMM: 7 -0.323040564818E+03 -0.16248E-04 -0.49759E-05 3198 0.199E-02 4839 T= 7313. E= 0.67555231E+03 F= 0.63322842E+03 E0= 0.66193917E+03 EK= 0.59553E+02 SP= -.17E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321858959913E+03 0.11816E+01 -0.13761E-01 7592 0.252E+01 0.330E-01 RMM: 2 -0.321890775605E+03 -0.31816E-01 -0.15238E-01 4792 0.948E-01 0.166E+00 RMM: 3 -0.321871564933E+03 0.19211E-01 -0.19828E-02 5483 0.315E-01 0.329E-01 RMM: 4 -0.321870784294E+03 0.78064E-03 -0.20482E-03 5159 0.996E-02 0.131E-01 RMM: 5 -0.321870822181E+03 -0.37886E-04 -0.29691E-04 3956 0.383E-02 0.158E-01 RMM: 6 -0.321870658910E+03 0.16327E-03 -0.83777E-05 3545 0.261E-02 0.385E-02 RMM: 7 -0.321870657012E+03 0.18978E-05 -0.20230E-05 2546 0.133E-02 4840 T= 7175. E= 0.67556649E+03 F= 0.63439833E+03 E0= 0.66314265E+03 EK= 0.58429E+02 SP= -.17E+02 SK= 0.49E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.320789347054E+03 0.10813E+01 -0.14534E-01 7728 0.248E+01 0.240E-01 RMM: 2 -0.320813418484E+03 -0.24071E-01 -0.16839E-01 4842 0.968E-01 0.116E+00 RMM: 3 -0.320803940781E+03 0.94777E-02 -0.19665E-02 5763 0.283E-01 0.207E-01 RMM: 4 -0.320803478463E+03 0.46232E-03 -0.11423E-03 4887 0.745E-02 0.118E-01 RMM: 5 -0.320803406251E+03 0.72213E-04 -0.16241E-04 3975 0.329E-02 0.938E-02 RMM: 6 -0.320803356990E+03 0.49261E-04 -0.43962E-05 3055 0.196E-02 0.503E-02 RMM: 7 -0.320803363752E+03 -0.67617E-05 -0.28712E-05 2592 0.159E-02 4841 T= 7046. E= 0.67557938E+03 F= 0.63546563E+03 E0= 0.66424151E+03 EK= 0.57378E+02 SP= -.17E+02 SK= 0.12E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319993034417E+03 0.81032E+00 -0.14600E-01 7840 0.245E+01 0.247E-01 RMM: 2 -0.320017760231E+03 -0.24726E-01 -0.17576E-01 4809 0.100E+00 0.114E+00 RMM: 3 -0.320008476396E+03 0.92838E-02 -0.20844E-02 5779 0.289E-01 0.236E-01 RMM: 4 -0.320007886985E+03 0.58941E-03 -0.12161E-03 4915 0.788E-02 0.108E-01 RMM: 5 -0.320007866949E+03 0.20036E-04 -0.18029E-04 3960 0.334E-02 0.105E-01 RMM: 6 -0.320007799713E+03 0.67236E-04 -0.44300E-05 3088 0.199E-02 0.398E-02 RMM: 7 -0.320007801553E+03 -0.18400E-05 -0.17609E-05 2513 0.133E-02 4842 T= 6947. E= 0.67558886E+03 F= 0.63626119E+03 E0= 0.66506577E+03 EK= 0.56572E+02 SP= -.17E+02 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319591250383E+03 0.41655E+00 -0.14021E-01 7848 0.243E+01 0.224E-01 RMM: 2 -0.319612867052E+03 -0.21617E-01 -0.16767E-01 4865 0.961E-01 0.987E-01 RMM: 3 -0.319605751596E+03 0.71155E-02 -0.18722E-02 5866 0.270E-01 0.187E-01 RMM: 4 -0.319605355024E+03 0.39657E-03 -0.10073E-03 4846 0.724E-02 0.127E-01 RMM: 5 -0.319605285821E+03 0.69203E-04 -0.15634E-04 3920 0.327E-02 0.101E-01 RMM: 6 -0.319605224089E+03 0.61732E-04 -0.47395E-05 3130 0.204E-02 0.410E-02 RMM: 7 -0.319605227620E+03 -0.35314E-05 -0.25154E-05 2551 0.153E-02 4843 T= 6893. E= 0.67559357E+03 F= 0.63666376E+03 E0= 0.66549263E+03 EK= 0.56137E+02 SP= -.17E+02 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319636170948E+03 -0.30947E-01 -0.13644E-01 7936 0.242E+01 0.227E-01 RMM: 2 -0.319658369659E+03 -0.22199E-01 -0.16649E-01 4823 0.968E-01 0.104E+00 RMM: 3 -0.319650918214E+03 0.74514E-02 -0.19603E-02 5897 0.272E-01 0.204E-01 RMM: 4 -0.319650425068E+03 0.49315E-03 -0.10029E-03 4928 0.716E-02 0.108E-01 RMM: 5 -0.319650384923E+03 0.40146E-04 -0.15756E-04 3980 0.319E-02 0.956E-02 RMM: 6 -0.319650331814E+03 0.53109E-04 -0.41217E-05 3027 0.191E-02 0.402E-02 RMM: 7 -0.319650337995E+03 -0.61803E-05 -0.19866E-05 2527 0.139E-02 4844 T= 6892. E= 0.67559255E+03 F= 0.63661865E+03 E0= 0.66546684E+03 EK= 0.56127E+02 SP= -.17E+02 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320106740351E+03 -0.45641E+00 -0.14531E-01 7680 0.243E+01 0.215E-01 RMM: 2 -0.320129067960E+03 -0.22328E-01 -0.18364E-01 4761 0.102E+00 0.913E-01 RMM: 3 -0.320123034111E+03 0.60338E-02 -0.21397E-02 5981 0.278E-01 0.185E-01 RMM: 4 -0.320122532935E+03 0.50118E-03 -0.10083E-03 4933 0.729E-02 0.117E-01 RMM: 5 -0.320122476623E+03 0.56312E-04 -0.15518E-04 3992 0.327E-02 0.944E-02 RMM: 6 -0.320122424189E+03 0.52434E-04 -0.40806E-05 2994 0.193E-02 0.380E-02 RMM: 7 -0.320122428526E+03 -0.43369E-05 -0.21245E-05 2529 0.143E-02 4845 T= 6941. E= 0.67558698E+03 F= 0.63614656E+03 E0= 0.66500813E+03 EK= 0.56524E+02 SP= -.17E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320921722147E+03 -0.79930E+00 -0.14359E-01 7928 0.245E+01 0.212E-01 RMM: 2 -0.320942587153E+03 -0.20865E-01 -0.16786E-01 4810 0.967E-01 0.922E-01 RMM: 3 -0.320936477016E+03 0.61101E-02 -0.19283E-02 5965 0.270E-01 0.176E-01 RMM: 4 -0.320936050139E+03 0.42688E-03 -0.92697E-04 4881 0.687E-02 0.114E-01 RMM: 5 -0.320935978454E+03 0.71684E-04 -0.14277E-04 3965 0.316E-02 0.837E-02 RMM: 6 -0.320935941236E+03 0.37218E-04 -0.34908E-05 2819 0.176E-02 0.438E-02 RMM: 7 -0.320935945366E+03 -0.41299E-05 -0.22645E-05 2540 0.148E-02 4846 T= 7029. E= 0.67557784E+03 F= 0.63533304E+03 E0= 0.66420255E+03 EK= 0.57240E+02 SP= -.17E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321944216534E+03 -0.10083E+01 -0.14585E-01 7936 0.248E+01 0.216E-01 RMM: 2 -0.321966932445E+03 -0.22716E-01 -0.18211E-01 4829 0.995E-01 0.954E-01 RMM: 3 -0.321960382960E+03 0.65495E-02 -0.20762E-02 5949 0.275E-01 0.212E-01 RMM: 4 -0.321959822156E+03 0.56080E-03 -0.10173E-03 4856 0.728E-02 0.110E-01 RMM: 5 -0.321959764608E+03 0.57548E-04 -0.16352E-04 3950 0.334E-02 0.895E-02 RMM: 6 -0.321959719842E+03 0.44767E-04 -0.40203E-05 3000 0.190E-02 0.432E-02 RMM: 7 -0.321959723022E+03 -0.31797E-05 -0.26383E-05 2566 0.158E-02 4847 T= 7140. E= 0.67556753E+03 F= 0.63430927E+03 E0= 0.66318115E+03 EK= 0.58141E+02 SP= -.17E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323030430894E+03 -0.10707E+01 -0.14718E-01 8160 0.250E+01 0.222E-01 RMM: 2 -0.323052424284E+03 -0.21993E-01 -0.17500E-01 4915 0.972E-01 0.964E-01 RMM: 3 -0.323045652383E+03 0.67719E-02 -0.19004E-02 5951 0.266E-01 0.194E-01 RMM: 4 -0.323045180239E+03 0.47214E-03 -0.99240E-04 4848 0.715E-02 0.121E-01 RMM: 5 -0.323045099437E+03 0.80802E-04 -0.15887E-04 3898 0.331E-02 0.862E-02 RMM: 6 -0.323045059921E+03 0.39516E-04 -0.39109E-05 2986 0.186E-02 0.442E-02 RMM: 7 -0.323045059625E+03 0.29631E-06 -0.25726E-05 2557 0.156E-02 4848 T= 7255. E= 0.67555806E+03 F= 0.63322393E+03 E0= 0.66209350E+03 EK= 0.59077E+02 SP= -.17E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324034803733E+03 -0.98974E+00 -0.15570E-01 8256 0.252E+01 0.202E-01 RMM: 2 -0.324058187778E+03 -0.23384E-01 -0.18937E-01 4889 0.995E-01 0.936E-01 RMM: 3 -0.324051686655E+03 0.65011E-02 -0.20770E-02 6076 0.266E-01 0.207E-01 RMM: 4 -0.324051118168E+03 0.56849E-03 -0.10046E-03 4790 0.749E-02 0.116E-01 RMM: 5 -0.324051040049E+03 0.78119E-04 -0.15992E-04 3929 0.328E-02 0.814E-02 RMM: 6 -0.324051007010E+03 0.33039E-04 -0.36177E-05 2930 0.179E-02 0.472E-02 RMM: 7 -0.324051008564E+03 -0.15536E-05 -0.24233E-05 2549 0.153E-02 4849 T= 7356. E= 0.67554987E+03 F= 0.63221798E+03 E0= 0.66108062E+03 EK= 0.59899E+02 SP= -.17E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324846419048E+03 -0.79541E+00 -0.16622E-01 8344 0.253E+01 0.191E-01 RMM: 2 -0.324867528074E+03 -0.21109E-01 -0.18897E-01 5004 0.977E-01 0.742E-01 RMM: 3 -0.324863010433E+03 0.45176E-02 -0.19876E-02 6221 0.257E-01 0.161E-01 RMM: 4 -0.324862609136E+03 0.40130E-03 -0.85714E-04 4836 0.674E-02 0.130E-01 RMM: 5 -0.324862508437E+03 0.10070E-03 -0.14184E-04 3832 0.314E-02 0.777E-02 RMM: 6 -0.324862479015E+03 0.29421E-04 -0.32535E-05 2772 0.173E-02 0.457E-02 RMM: 7 -0.324862480562E+03 -0.15471E-05 -0.24571E-05 2555 0.151E-02 4850 T= 7428. E= 0.67554374E+03 F= 0.63140651E+03 E0= 0.66025797E+03 EK= 0.60490E+02 SP= -.16E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325386089688E+03 -0.52361E+00 -0.16769E-01 8264 0.254E+01 0.185E-01 RMM: 2 -0.325408137936E+03 -0.22048E-01 -0.18860E-01 5036 0.965E-01 0.820E-01 RMM: 3 -0.325402701129E+03 0.54368E-02 -0.18841E-02 6251 0.251E-01 0.164E-01 RMM: 4 -0.325402296013E+03 0.40512E-03 -0.84610E-04 4753 0.692E-02 0.132E-01 RMM: 5 -0.325402192116E+03 0.10390E-03 -0.14036E-04 3788 0.321E-02 0.739E-02 RMM: 6 -0.325402167318E+03 0.24798E-04 -0.32871E-05 2828 0.173E-02 0.461E-02 RMM: 7 -0.325402170752E+03 -0.34345E-05 -0.22409E-05 2547 0.146E-02 4851 T= 7462. E= 0.67554061E+03 F= 0.63086682E+03 E0= 0.65970219E+03 EK= 0.60769E+02 SP= -.16E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325621117339E+03 -0.21895E+00 -0.16677E-01 8624 0.253E+01 0.179E-01 RMM: 2 -0.325639047429E+03 -0.17930E-01 -0.15997E-01 5453 0.863E-01 0.689E-01 RMM: 3 -0.325634668949E+03 0.43785E-02 -0.13213E-02 6154 0.213E-01 0.155E-01 RMM: 4 -0.325634423967E+03 0.24498E-03 -0.70469E-04 4722 0.593E-02 0.128E-01 RMM: 5 -0.325634331803E+03 0.92164E-04 -0.12122E-04 3716 0.284E-02 0.752E-02 RMM: 6 -0.325634302358E+03 0.29445E-04 -0.30053E-05 2810 0.170E-02 0.431E-02 RMM: 7 -0.325634308732E+03 -0.63734E-05 -0.23987E-05 2547 0.143E-02 4852 T= 7454. E= 0.67554055E+03 F= 0.63063468E+03 E0= 0.65944804E+03 EK= 0.60702E+02 SP= -.16E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325548326731E+03 0.85976E-01 -0.16457E-01 8568 0.252E+01 0.167E-01 RMM: 2 -0.325565578934E+03 -0.17252E-01 -0.15925E-01 5328 0.866E-01 0.610E-01 RMM: 3 -0.325561969968E+03 0.36090E-02 -0.13791E-02 6275 0.218E-01 0.139E-01 RMM: 4 -0.325561753970E+03 0.21600E-03 -0.67962E-04 4690 0.605E-02 0.134E-01 RMM: 5 -0.325561642903E+03 0.11107E-03 -0.12266E-04 3699 0.293E-02 0.689E-02 RMM: 6 -0.325561620643E+03 0.22260E-04 -0.29405E-05 2742 0.166E-02 0.403E-02 RMM: 7 -0.325561627186E+03 -0.65427E-05 -0.22161E-05 2552 0.139E-02 4853 T= 7404. E= 0.67554250E+03 F= 0.63070736E+03 E0= 0.65949061E+03 EK= 0.60291E+02 SP= -.16E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325205584912E+03 0.35604E+00 -0.16188E-01 8592 0.250E+01 0.179E-01 RMM: 2 -0.325222252998E+03 -0.16668E-01 -0.14412E-01 5701 0.801E-01 0.712E-01 RMM: 3 -0.325217386118E+03 0.48669E-02 -0.10000E-02 5988 0.196E-01 0.159E-01 RMM: 4 -0.325217213152E+03 0.17297E-03 -0.66633E-04 4733 0.565E-02 0.121E-01 RMM: 5 -0.325217128181E+03 0.84972E-04 -0.11864E-04 3710 0.271E-02 0.756E-02 RMM: 6 -0.325217095074E+03 0.33107E-04 -0.32437E-05 2919 0.178E-02 0.394E-02 RMM: 7 -0.325217106774E+03 -0.11700E-04 -0.25505E-05 2556 0.145E-02 4854 T= 7316. E= 0.67554637E+03 F= 0.63105188E+03 E0= 0.65979641E+03 EK= 0.59575E+02 SP= -.15E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324646129520E+03 0.57097E+00 -0.16211E-01 8624 0.247E+01 0.176E-01 RMM: 2 -0.324662745804E+03 -0.16616E-01 -0.14954E-01 5451 0.826E-01 0.655E-01 RMM: 3 -0.324658455723E+03 0.42901E-02 -0.11161E-02 6214 0.207E-01 0.133E-01 RMM: 4 -0.324658299297E+03 0.15643E-03 -0.61299E-04 4690 0.562E-02 0.135E-01 RMM: 5 -0.324658185961E+03 0.11334E-03 -0.10585E-04 3667 0.278E-02 0.704E-02 RMM: 6 -0.324658160644E+03 0.25318E-04 -0.30843E-05 2830 0.171E-02 0.374E-02 RMM: 7 -0.324658168108E+03 -0.74640E-05 -0.23811E-05 2557 0.144E-02 4855 T= 7198. E= 0.67555026E+03 F= 0.63161082E+03 E0= 0.66030712E+03 EK= 0.58614E+02 SP= -.15E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323941662204E+03 0.71650E+00 -0.15782E-01 8616 0.245E+01 0.178E-01 RMM: 2 -0.323958280761E+03 -0.16619E-01 -0.14164E-01 5579 0.800E-01 0.731E-01 RMM: 3 -0.323953285891E+03 0.49949E-02 -0.10065E-02 6082 0.199E-01 0.151E-01 RMM: 4 -0.323953116766E+03 0.16913E-03 -0.63860E-04 4717 0.570E-02 0.125E-01 RMM: 5 -0.323953019632E+03 0.97134E-04 -0.11262E-04 3692 0.274E-02 0.739E-02 RMM: 6 -0.323952988857E+03 0.30775E-04 -0.32094E-05 2875 0.176E-02 0.400E-02 RMM: 7 -0.323952998276E+03 -0.94187E-05 -0.25348E-05 2565 0.145E-02 4856 T= 7059. E= 0.67555478E+03 F= 0.63231599E+03 E0= 0.66095563E+03 EK= 0.57486E+02 SP= -.15E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323167575182E+03 0.78541E+00 -0.15377E-01 8600 0.243E+01 0.186E-01 RMM: 2 -0.323182936452E+03 -0.15361E-01 -0.13359E-01 5560 0.773E-01 0.709E-01 RMM: 3 -0.323178046327E+03 0.48901E-02 -0.89319E-03 6195 0.193E-01 0.133E-01 RMM: 4 -0.323177940512E+03 0.10581E-03 -0.57490E-04 4716 0.527E-02 0.133E-01 RMM: 5 -0.323177828971E+03 0.11154E-03 -0.93265E-05 3601 0.253E-02 0.746E-02 RMM: 6 -0.323177799494E+03 0.29477E-04 -0.30847E-05 2850 0.173E-02 0.379E-02 RMM: 7 -0.323177806792E+03 -0.72981E-05 -0.26029E-05 2572 0.148E-02 4857 T= 6910. E= 0.67555904E+03 F= 0.63309118E+03 E0= 0.66166699E+03 EK= 0.56273E+02 SP= -.14E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322399747137E+03 0.77805E+00 -0.15046E-01 8512 0.241E+01 0.186E-01 RMM: 2 -0.322415876823E+03 -0.16130E-01 -0.12886E-01 5591 0.757E-01 0.820E-01 RMM: 3 -0.322409737251E+03 0.61396E-02 -0.84132E-03 6147 0.185E-01 0.157E-01 RMM: 4 -0.322409558617E+03 0.17863E-03 -0.59754E-04 4695 0.549E-02 0.121E-01 RMM: 5 -0.322409463967E+03 0.94649E-04 -0.99875E-05 3649 0.257E-02 0.756E-02 RMM: 6 -0.322409433212E+03 0.30755E-04 -0.29293E-05 2807 0.169E-02 0.432E-02 RMM: 7 -0.322409440386E+03 -0.71732E-05 -0.28785E-05 2599 0.150E-02 4858 T= 6761. E= 0.67556394E+03 F= 0.63385955E+03 E0= 0.66236762E+03 EK= 0.55061E+02 SP= -.14E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321719667833E+03 0.68977E+00 -0.14520E-01 8712 0.240E+01 0.193E-01 RMM: 2 -0.321734785296E+03 -0.15117E-01 -0.12470E-01 5538 0.749E-01 0.785E-01 RMM: 3 -0.321729183466E+03 0.56018E-02 -0.86392E-03 6124 0.191E-01 0.151E-01 RMM: 4 -0.321729031188E+03 0.15228E-03 -0.60816E-04 4733 0.527E-02 0.121E-01 RMM: 5 -0.321728942194E+03 0.88995E-04 -0.91016E-05 3576 0.242E-02 0.803E-02 RMM: 6 -0.321728907611E+03 0.34583E-04 -0.29941E-05 2827 0.173E-02 0.406E-02 RMM: 7 -0.321728913394E+03 -0.57831E-05 -0.27031E-05 2591 0.150E-02 4859 T= 6623. E= 0.67556870E+03 F= 0.63454008E+03 E0= 0.66297999E+03 EK= 0.53935E+02 SP= -.13E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321212205697E+03 0.51670E+00 -0.13652E-01 8776 0.239E+01 0.200E-01 RMM: 2 -0.321228514026E+03 -0.16308E-01 -0.11955E-01 5573 0.738E-01 0.937E-01 RMM: 3 -0.321221405659E+03 0.71084E-02 -0.84900E-03 5999 0.188E-01 0.174E-01 RMM: 4 -0.321221193058E+03 0.21260E-03 -0.69334E-04 4693 0.572E-02 0.116E-01 RMM: 5 -0.321221110662E+03 0.82397E-04 -0.10756E-04 3657 0.252E-02 0.805E-02 RMM: 6 -0.321221078038E+03 0.32624E-04 -0.27881E-05 2773 0.166E-02 0.483E-02 RMM: 7 -0.321221084198E+03 -0.61599E-05 -0.28323E-05 2616 0.149E-02 4860 T= 6507. E= 0.67557412E+03 F= 0.63504791E+03 E0= 0.66342388E+03 EK= 0.52986E+02 SP= -.13E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320974064113E+03 0.24701E+00 -0.13420E-01 8840 0.239E+01 0.212E-01 RMM: 2 -0.320989864806E+03 -0.15801E-01 -0.11784E-01 5511 0.750E-01 0.913E-01 RMM: 3 -0.320983397462E+03 0.64673E-02 -0.94017E-03 5820 0.200E-01 0.183E-01 RMM: 4 -0.320983175756E+03 0.22171E-03 -0.75030E-04 4803 0.571E-02 0.116E-01 RMM: 5 -0.320983100137E+03 0.75619E-04 -0.10880E-04 3708 0.256E-02 0.869E-02 RMM: 6 -0.320983060380E+03 0.39757E-04 -0.32514E-05 2941 0.177E-02 0.475E-02 RMM: 7 -0.320983064906E+03 -0.45263E-05 -0.28247E-05 2621 0.156E-02 4861 T= 6424. E= 0.67558044E+03 F= 0.63528592E+03 E0= 0.66360552E+03 EK= 0.52315E+02 SP= -.12E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321114151154E+03 -0.13109E+00 -0.12945E-01 8776 0.238E+01 0.219E-01 RMM: 2 -0.321130874835E+03 -0.16724E-01 -0.11753E-01 5373 0.774E-01 0.985E-01 RMM: 3 -0.321123704235E+03 0.71706E-02 -0.10785E-02 5861 0.204E-01 0.195E-01 RMM: 4 -0.321123382420E+03 0.32181E-03 -0.83546E-04 4670 0.648E-02 0.123E-01 RMM: 5 -0.321123302862E+03 0.79558E-04 -0.12786E-04 3796 0.278E-02 0.854E-02 RMM: 6 -0.321123264435E+03 0.38427E-04 -0.28683E-05 2788 0.169E-02 0.486E-02 RMM: 7 -0.321123270239E+03 -0.58037E-05 -0.23521E-05 2569 0.142E-02 4862 T= 6389. E= 0.67558679E+03 F= 0.63514572E+03 E0= 0.66341935E+03 EK= 0.52029E+02 SP= -.12E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321729353158E+03 -0.60609E+00 -0.11944E-01 8520 0.238E+01 0.220E-01 RMM: 2 -0.321745014497E+03 -0.15661E-01 -0.10808E-01 5186 0.762E-01 0.967E-01 RMM: 3 -0.321738292956E+03 0.67215E-02 -0.11410E-02 5719 0.216E-01 0.198E-01 RMM: 4 -0.321737987993E+03 0.30496E-03 -0.83306E-04 4758 0.609E-02 0.111E-01 RMM: 5 -0.321737922839E+03 0.65154E-04 -0.12135E-04 3816 0.276E-02 0.832E-02 RMM: 6 -0.321737885605E+03 0.37234E-04 -0.31314E-05 2891 0.171E-02 0.443E-02 RMM: 7 -0.321737891035E+03 -0.54295E-05 -0.20071E-05 2540 0.135E-02 4863 T= 6412. E= 0.67558892E+03 F= 0.63453110E+03 E0= 0.66277022E+03 EK= 0.52217E+02 SP= -.12E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322854959457E+03 -0.11171E+01 -0.11404E-01 7912 0.239E+01 0.224E-01 RMM: 2 -0.322870377872E+03 -0.15418E-01 -0.94085E-02 5128 0.734E-01 0.107E+00 RMM: 3 -0.322862704998E+03 0.76729E-02 -0.10559E-02 5666 0.210E-01 0.198E-01 RMM: 4 -0.322862379149E+03 0.32585E-03 -0.85687E-04 4665 0.639E-02 0.104E-01 RMM: 5 -0.322862340761E+03 0.38388E-04 -0.13197E-04 3829 0.282E-02 0.892E-02 RMM: 6 -0.322862290827E+03 0.49933E-04 -0.32543E-05 2903 0.178E-02 0.364E-02 RMM: 7 -0.322862293156E+03 -0.23286E-05 -0.15164E-05 2496 0.119E-02 4864 T= 6497. E= 0.67558478E+03 F= 0.63340670E+03 E0= 0.66162246E+03 EK= 0.52909E+02 SP= -.11E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324429416856E+03 -0.15671E+01 -0.11671E-01 7816 0.242E+01 0.202E-01 RMM: 2 -0.324444015235E+03 -0.14598E-01 -0.95081E-02 5106 0.724E-01 0.989E-01 RMM: 3 -0.324437281205E+03 0.67340E-02 -0.10199E-02 5679 0.206E-01 0.188E-01 RMM: 4 -0.324436997637E+03 0.28357E-03 -0.76304E-04 4739 0.590E-02 0.101E-01 RMM: 5 -0.324436938004E+03 0.59633E-04 -0.11282E-04 3754 0.277E-02 0.747E-02 RMM: 6 -0.324436906502E+03 0.31502E-04 -0.28930E-05 2769 0.164E-02 0.411E-02 RMM: 7 -0.324436906493E+03 0.94915E-08 -0.19087E-05 2519 0.132E-02 4865 T= 6636. E= 0.67557382E+03 F= 0.63183208E+03 E0= 0.66003457E+03 EK= 0.54037E+02 SP= -.11E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326298518259E+03 -0.18616E+01 -0.12786E-01 8816 0.245E+01 0.191E-01 RMM: 2 -0.326313119726E+03 -0.14601E-01 -0.10774E-01 5370 0.729E-01 0.880E-01 RMM: 3 -0.326307300341E+03 0.58194E-02 -0.93538E-03 5764 0.196E-01 0.162E-01 RMM: 4 -0.326307101460E+03 0.19888E-03 -0.70937E-04 4720 0.566E-02 0.125E-01 RMM: 5 -0.326307007752E+03 0.93708E-04 -0.10549E-04 3734 0.268E-02 0.763E-02 RMM: 6 -0.326306982333E+03 0.25420E-04 -0.24475E-05 2596 0.153E-02 0.534E-02 RMM: 7 -0.326306980723E+03 0.16093E-05 -0.24276E-05 2595 0.144E-02 4866 T= 6808. E= 0.67555903E+03 F= 0.62996201E+03 E0= 0.65815945E+03 EK= 0.55440E+02 SP= -.10E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328254803682E+03 -0.19478E+01 -0.15070E-01 9048 0.248E+01 0.210E-01 RMM: 2 -0.328274289065E+03 -0.19485E-01 -0.15021E-01 5344 0.855E-01 0.936E-01 RMM: 3 -0.328267489939E+03 0.67991E-02 -0.12949E-02 5777 0.228E-01 0.214E-01 RMM: 4 -0.328267118899E+03 0.37104E-03 -0.93104E-04 4769 0.662E-02 0.133E-01 RMM: 5 -0.328267010612E+03 0.10829E-03 -0.13799E-04 3850 0.307E-02 0.835E-02 RMM: 6 -0.328266987927E+03 0.22685E-04 -0.27022E-05 2611 0.156E-02 0.681E-02 RMM: 7 -0.328266983444E+03 0.44837E-05 -0.33281E-05 2656 0.168E-02 4867 T= 6988. E= 0.67554457E+03 F= 0.62800201E+03 E0= 0.65620156E+03 EK= 0.56910E+02 SP= -.98E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330103964199E+03 -0.18370E+01 -0.17393E-01 9040 0.251E+01 0.197E-01 RMM: 2 -0.330124478360E+03 -0.20514E-01 -0.17171E-01 5555 0.891E-01 0.845E-01 RMM: 3 -0.330118654892E+03 0.58235E-02 -0.12745E-02 5768 0.223E-01 0.192E-01 RMM: 4 -0.330118368491E+03 0.28640E-03 -0.84981E-04 4784 0.631E-02 0.142E-01 RMM: 5 -0.330118246778E+03 0.12171E-03 -0.12762E-04 3821 0.296E-02 0.880E-02 RMM: 6 -0.330118228361E+03 0.18417E-04 -0.26565E-05 2603 0.153E-02 4868 T= 7152. E= 0.67553314E+03 F= 0.62615076E+03 E0= 0.65435757E+03 EK= 0.58241E+02 SP= -.93E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331691236712E+03 -0.15730E+01 -0.19687E-01 9040 0.253E+01 0.251E-01 RMM: 2 -0.331720594646E+03 -0.29358E-01 -0.19075E-01 5590 0.913E-01 0.134E+00 RMM: 3 -0.331707132277E+03 0.13462E-01 -0.14059E-02 5526 0.253E-01 0.254E-01 RMM: 4 -0.331706689665E+03 0.44261E-03 -0.12824E-03 4994 0.708E-02 0.130E-01 RMM: 5 -0.331706616270E+03 0.73395E-04 -0.14191E-04 4194 0.289E-02 0.103E-01 RMM: 6 -0.331706604163E+03 0.12108E-04 -0.26446E-05 2581 0.151E-02 4869 T= 7279. E= 0.67552598E+03 F= 0.62456239E+03 E0= 0.65278190E+03 EK= 0.59276E+02 SP= -.88E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332920639814E+03 -0.12140E+01 -0.21565E-01 9064 0.254E+01 0.387E-01 RMM: 2 -0.332978529102E+03 -0.57889E-01 -0.20433E-01 5429 0.943E-01 0.236E+00 RMM: 3 -0.332936742829E+03 0.41786E-01 -0.21383E-02 5370 0.341E-01 0.391E-01 RMM: 4 -0.332935663669E+03 0.10792E-02 -0.27832E-03 5159 0.105E-01 0.136E-01 RMM: 5 -0.332935600719E+03 0.62950E-04 -0.33167E-04 4712 0.339E-02 0.119E-01 RMM: 6 -0.332935553866E+03 0.46852E-04 -0.31740E-05 2749 0.173E-02 0.969E-02 RMM: 7 -0.332935602923E+03 -0.49057E-04 -0.78871E-05 3645 0.240E-02 0.124E-01 RMM: 8 -0.332935522110E+03 0.80814E-04 -0.16541E-04 3913 0.265E-02 0.491E-02 RMM: 9 -0.332935532637E+03 -0.10528E-04 -0.42676E-05 3086 0.180E-02 4870 T= 7357. E= 0.67552232E+03 F= 0.62333346E+03 E0= 0.65157101E+03 EK= 0.59914E+02 SP= -.83E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333742267368E+03 -0.80675E+00 -0.24174E-01 9032 0.254E+01 0.370E-01 RMM: 2 -0.333786207627E+03 -0.43940E-01 -0.22299E-01 5359 0.948E-01 0.183E+00 RMM: 3 -0.333759854124E+03 0.26354E-01 -0.19287E-02 5402 0.314E-01 0.319E-01 RMM: 4 -0.333759551876E+03 0.30225E-03 -0.28755E-03 5248 0.118E-01 0.253E-01 RMM: 5 -0.333759316286E+03 0.23559E-03 -0.48737E-04 4121 0.532E-02 0.183E-01 RMM: 6 -0.333759117360E+03 0.19893E-03 -0.13896E-04 3862 0.323E-02 0.599E-02 RMM: 7 -0.333759185463E+03 -0.68103E-04 -0.75895E-05 3521 0.230E-02 0.109E-01 RMM: 8 -0.333759129941E+03 0.55523E-04 -0.47632E-05 3193 0.214E-02 0.358E-02 RMM: 9 -0.333759133688E+03 -0.37471E-05 -0.17113E-05 2537 0.121E-02 4871 T= 7381. E= 0.67552167E+03 F= 0.62250986E+03 E0= 0.65076788E+03 EK= 0.60108E+02 SP= -.78E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334156806188E+03 -0.39768E+00 -0.26953E-01 8968 0.253E+01 0.242E-01 RMM: 2 -0.334189885244E+03 -0.33079E-01 -0.22676E-01 5709 0.930E-01 0.132E+00 RMM: 3 -0.334175234520E+03 0.14651E-01 -0.14104E-02 5529 0.253E-01 0.227E-01 RMM: 4 -0.334174852880E+03 0.38164E-03 -0.12839E-03 4896 0.722E-02 0.107E-01 RMM: 5 -0.334174786036E+03 0.66843E-04 -0.15977E-04 4268 0.293E-02 0.856E-02 RMM: 6 -0.334174751000E+03 0.35036E-04 -0.29571E-05 2742 0.161E-02 0.619E-02 RMM: 7 -0.334174765381E+03 -0.14381E-04 -0.62721E-05 3422 0.216E-02 4872 T= 7350. E= 0.67552322E+03 F= 0.62209422E+03 E0= 0.65037448E+03 EK= 0.59858E+02 SP= -.72E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334197080354E+03 -0.22329E-01 -0.29028E-01 9000 0.251E+01 0.179E-01 RMM: 2 -0.334222169523E+03 -0.25089E-01 -0.22704E-01 6179 0.923E-01 0.719E-01 RMM: 3 -0.334216454686E+03 0.57148E-02 -0.11374E-02 5585 0.221E-01 0.167E-01 RMM: 4 -0.334216262285E+03 0.19240E-03 -0.83338E-04 4990 0.579E-02 0.113E-01 RMM: 5 -0.334216183779E+03 0.78506E-04 -0.96377E-05 3756 0.258E-02 0.691E-02 RMM: 6 -0.334216171634E+03 0.12145E-04 -0.24975E-05 2583 0.150E-02 4873 T= 7270. E= 0.67552745E+03 F= 0.62205282E+03 E0= 0.65035739E+03 EK= 0.59206E+02 SP= -.65E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333925347268E+03 0.29084E+00 -0.32699E-01 8992 0.248E+01 0.270E-01 RMM: 2 -0.333964311411E+03 -0.38964E-01 -0.27111E-01 5302 0.107E+00 0.140E+00 RMM: 3 -0.333948421227E+03 0.15890E-01 -0.20714E-02 5550 0.304E-01 0.256E-01 RMM: 4 -0.333947893922E+03 0.52730E-03 -0.17072E-03 5141 0.825E-02 0.111E-01 RMM: 5 -0.333947850162E+03 0.43760E-04 -0.20540E-04 4703 0.319E-02 0.969E-02 RMM: 6 -0.333947812996E+03 0.37167E-04 -0.37147E-05 2921 0.179E-02 0.691E-02 RMM: 7 -0.333947856040E+03 -0.43044E-04 -0.66368E-05 3488 0.220E-02 0.104E-01 RMM: 8 -0.333947801147E+03 0.54893E-04 -0.96210E-05 3877 0.234E-02 0.379E-02 RMM: 9 -0.333947801050E+03 0.97185E-07 -0.19699E-05 2563 0.127E-02 4874 T= 7149. E= 0.67553276E+03 F= 0.62232119E+03 E0= 0.65065141E+03 EK= 0.58221E+02 SP= -.59E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333431493538E+03 0.51631E+00 -0.32124E-01 8888 0.245E+01 0.315E-01 RMM: 2 -0.333471637189E+03 -0.40144E-01 -0.24846E-01 5476 0.101E+00 0.158E+00 RMM: 3 -0.333452053063E+03 0.19584E-01 -0.17819E-02 5469 0.291E-01 0.252E-01 RMM: 4 -0.333451772876E+03 0.28019E-03 -0.19303E-03 5029 0.940E-02 0.199E-01 RMM: 5 -0.333451661062E+03 0.11181E-03 -0.31081E-04 3918 0.420E-02 0.158E-01 RMM: 6 -0.333451500974E+03 0.16009E-03 -0.10852E-04 3730 0.290E-02 0.437E-02 RMM: 7 -0.333451523433E+03 -0.22459E-04 -0.38800E-05 3015 0.178E-02 0.701E-02 RMM: 8 -0.333451500646E+03 0.22787E-04 -0.32288E-05 2652 0.172E-02 0.255E-02 RMM: 9 -0.333451500334E+03 0.31228E-06 -0.11657E-05 2467 0.101E-02 4875 T= 6999. E= 0.67553869E+03 F= 0.62281749E+03 E0= 0.65117513E+03 EK= 0.56996E+02 SP= -.52E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332795276655E+03 0.65622E+00 -0.32341E-01 8896 0.241E+01 0.212E-01 RMM: 2 -0.332825500855E+03 -0.30224E-01 -0.25139E-01 5408 0.104E+00 0.960E-01 RMM: 3 -0.332817250304E+03 0.82506E-02 -0.17551E-02 5801 0.263E-01 0.193E-01 RMM: 4 -0.332816862180E+03 0.38812E-03 -0.10990E-03 4872 0.725E-02 0.121E-01 RMM: 5 -0.332816769597E+03 0.92583E-04 -0.15754E-04 3982 0.318E-02 0.697E-02 RMM: 6 -0.332816747779E+03 0.21818E-04 -0.30934E-05 2744 0.161E-02 0.478E-02 RMM: 7 -0.332816755493E+03 -0.77137E-05 -0.39298E-05 2932 0.182E-02 4876 T= 6831. E= 0.67554428E+03 F= 0.62345223E+03 E0= 0.65183962E+03 EK= 0.55628E+02 SP= -.45E+01 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332109469043E+03 0.70728E+00 -0.30099E-01 8904 0.238E+01 0.172E-01 RMM: 2 -0.332133417302E+03 -0.23948E-01 -0.21448E-01 6046 0.937E-01 0.700E-01 RMM: 3 -0.332128508860E+03 0.49084E-02 -0.11464E-02 5798 0.212E-01 0.144E-01 RMM: 4 -0.332128329461E+03 0.17940E-03 -0.74422E-04 4783 0.611E-02 0.127E-01 RMM: 5 -0.332128228487E+03 0.10097E-03 -0.11418E-04 3804 0.281E-02 0.682E-02 RMM: 6 -0.332128214918E+03 0.13569E-04 -0.28723E-05 2664 0.159E-02 4877 T= 6657. E= 0.67554930E+03 F= 0.62414077E+03 E0= 0.65255995E+03 EK= 0.54211E+02 SP= -.38E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331439971110E+03 0.68826E+00 -0.29391E-01 8888 0.235E+01 0.254E-01 RMM: 2 -0.331470191606E+03 -0.30220E-01 -0.22937E-01 5341 0.101E+00 0.114E+00 RMM: 3 -0.331459790408E+03 0.10401E-01 -0.17978E-02 5558 0.283E-01 0.208E-01 RMM: 4 -0.331459434701E+03 0.35571E-03 -0.14454E-03 5307 0.741E-02 0.111E-01 RMM: 5 -0.331459371114E+03 0.63588E-04 -0.16434E-04 4097 0.317E-02 0.887E-02 RMM: 6 -0.331459331153E+03 0.39961E-04 -0.43982E-05 3067 0.194E-02 0.538E-02 RMM: 7 -0.331459364444E+03 -0.33291E-04 -0.42898E-05 2968 0.189E-02 0.886E-02 RMM: 8 -0.331459320113E+03 0.44330E-04 -0.46113E-05 2880 0.184E-02 0.343E-02 RMM: 9 -0.331459318706E+03 0.14068E-05 -0.18611E-05 2500 0.124E-02 4878 T= 6487. E= 0.67555361E+03 F= 0.62480967E+03 E0= 0.65326146E+03 EK= 0.52826E+02 SP= -.31E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330851238814E+03 0.60808E+00 -0.26219E-01 8744 0.233E+01 0.269E-01 RMM: 2 -0.330880945321E+03 -0.29707E-01 -0.20950E-01 5415 0.960E-01 0.123E+00 RMM: 3 -0.330869161041E+03 0.11784E-01 -0.15822E-02 5582 0.265E-01 0.224E-01 RMM: 4 -0.330868838813E+03 0.32223E-03 -0.14551E-03 4864 0.828E-02 0.167E-01 RMM: 5 -0.330868713791E+03 0.12502E-03 -0.23054E-04 3897 0.380E-02 0.107E-01 RMM: 6 -0.330868638883E+03 0.74908E-04 -0.61188E-05 3335 0.226E-02 0.377E-02 RMM: 7 -0.330868651033E+03 -0.12149E-04 -0.23735E-05 2560 0.146E-02 4879 T= 6328. E= 0.67555615E+03 F= 0.62540034E+03 E0= 0.65388563E+03 EK= 0.51535E+02 SP= -.24E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330378930767E+03 0.48971E+00 -0.22756E-01 8560 0.231E+01 0.173E-01 RMM: 2 -0.330399797189E+03 -0.20866E-01 -0.18323E-01 5975 0.876E-01 0.722E-01 RMM: 3 -0.330395013173E+03 0.47840E-02 -0.11602E-02 5675 0.209E-01 0.156E-01 RMM: 4 -0.330394779109E+03 0.23406E-03 -0.70208E-04 4882 0.549E-02 0.104E-01 RMM: 5 -0.330394715013E+03 0.64096E-04 -0.86337E-05 3620 0.243E-02 0.713E-02 RMM: 6 -0.330394697803E+03 0.17210E-04 -0.30239E-05 2714 0.170E-02 4880 T= 6187. E= 0.67555802E+03 F= 0.62587429E+03 E0= 0.65439169E+03 EK= 0.50383E+02 SP= -.17E+01 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330049894843E+03 0.34482E+00 -0.20375E-01 8664 0.230E+01 0.276E-01 RMM: 2 -0.330083534266E+03 -0.33639E-01 -0.17578E-01 5198 0.923E-01 0.159E+00 RMM: 3 -0.330064710674E+03 0.18824E-01 -0.16791E-02 5469 0.285E-01 0.250E-01 RMM: 4 -0.330064227109E+03 0.48356E-03 -0.15682E-03 5079 0.790E-02 0.929E-02 RMM: 5 -0.330064187479E+03 0.39630E-04 -0.17576E-04 4475 0.294E-02 0.874E-02 RMM: 6 -0.330064147389E+03 0.40091E-04 -0.30480E-05 2717 0.166E-02 0.552E-02 RMM: 7 -0.330064167627E+03 -0.20238E-04 -0.40867E-05 3042 0.187E-02 0.825E-02 RMM: 8 -0.330064128727E+03 0.38900E-04 -0.64332E-05 3277 0.191E-02 0.402E-02 RMM: 9 -0.330064122058E+03 0.66692E-05 -0.18599E-05 2530 0.123E-02 4881 T= 6066. E= 0.67555925E+03 F= 0.62620487E+03 E0= 0.65475226E+03 EK= 0.49400E+02 SP= -.99E+00 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329882837264E+03 0.18129E+00 -0.17531E-01 8848 0.229E+01 0.305E-01 RMM: 2 -0.329916670755E+03 -0.33833E-01 -0.14506E-01 5126 0.837E-01 0.174E+00 RMM: 3 -0.329894394577E+03 0.22276E-01 -0.15023E-02 5397 0.278E-01 0.234E-01 RMM: 4 -0.329894070868E+03 0.32371E-03 -0.16919E-03 4880 0.850E-02 0.150E-01 RMM: 5 -0.329893999724E+03 0.71144E-04 -0.22426E-04 3896 0.364E-02 0.122E-01 RMM: 6 -0.329893900459E+03 0.99265E-04 -0.61972E-05 3371 0.227E-02 0.407E-02 RMM: 7 -0.329893908178E+03 -0.77193E-05 -0.25951E-05 2600 0.155E-02 4882 T= 5968. E= 0.67556005E+03 F= 0.62637508E+03 E0= 0.65494969E+03 EK= 0.48603E+02 SP= -.31E+00 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329881576466E+03 0.12324E-01 -0.15669E-01 8888 0.228E+01 0.175E-01 RMM: 2 -0.329899005910E+03 -0.17429E-01 -0.12495E-01 5392 0.766E-01 0.933E-01 RMM: 3 -0.329892052945E+03 0.69530E-02 -0.10237E-02 5543 0.211E-01 0.163E-01 RMM: 4 -0.329891837795E+03 0.21515E-03 -0.76368E-04 5021 0.554E-02 0.862E-02 RMM: 5 -0.329891788826E+03 0.48969E-04 -0.73454E-05 3597 0.225E-02 0.719E-02 RMM: 6 -0.329891773003E+03 0.15823E-04 -0.23900E-05 2565 0.149E-02 4883 T= 5895. E= 0.67556039E+03 F= 0.62637722E+03 E0= 0.65497564E+03 EK= 0.48002E+02 SP= 0.34E+00 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330050024613E+03 -0.15824E+00 -0.14404E-01 8464 0.228E+01 0.314E-01 RMM: 2 -0.330081398887E+03 -0.31374E-01 -0.12830E-01 5019 0.818E-01 0.173E+00 RMM: 3 -0.330060162535E+03 0.21236E-01 -0.17407E-02 5393 0.301E-01 0.271E-01 RMM: 4 -0.330059620969E+03 0.54157E-03 -0.18259E-03 5359 0.767E-02 0.894E-02 RMM: 5 -0.330059554098E+03 0.66871E-04 -0.14104E-04 3814 0.319E-02 0.806E-02 RMM: 6 -0.330059519394E+03 0.34704E-04 -0.33538E-05 2883 0.177E-02 0.527E-02 RMM: 7 -0.330059530679E+03 -0.11285E-04 -0.27617E-05 2640 0.158E-02 4884 T= 5845. E= 0.67556009E+03 F= 0.62620946E+03 E0= 0.65482805E+03 EK= 0.47597E+02 SP= 0.98E+00 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330381295282E+03 -0.32178E+00 -0.13013E-01 8240 0.227E+01 0.277E-01 RMM: 2 -0.330407265109E+03 -0.25970E-01 -0.11127E-01 5105 0.770E-01 0.156E+00 RMM: 3 -0.330390330491E+03 0.16935E-01 -0.13576E-02 5389 0.264E-01 0.266E-01 RMM: 4 -0.330389823124E+03 0.50737E-03 -0.14584E-03 4781 0.777E-02 0.110E-01 RMM: 5 -0.330389779232E+03 0.43892E-04 -0.17855E-04 3925 0.339E-02 0.903E-02 RMM: 6 -0.330389727068E+03 0.52163E-04 -0.42176E-05 3082 0.191E-02 0.428E-02 RMM: 7 -0.330389732828E+03 -0.57592E-05 -0.19155E-05 2555 0.135E-02 4885 T= 5818. E= 0.67555917E+03 F= 0.62587926E+03 E0= 0.65451452E+03 EK= 0.47380E+02 SP= 0.16E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330853552410E+03 -0.46383E+00 -0.11605E-01 7992 0.227E+01 0.235E-01 RMM: 2 -0.330869859699E+03 -0.16307E-01 -0.89652E-02 5007 0.708E-01 0.113E+00 RMM: 3 -0.330860858639E+03 0.90011E-02 -0.11140E-02 5483 0.231E-01 0.224E-01 RMM: 4 -0.330860481926E+03 0.37671E-03 -0.97308E-04 4885 0.624E-02 0.880E-02 RMM: 5 -0.330860445563E+03 0.36363E-04 -0.11791E-04 3823 0.289E-02 0.787E-02 RMM: 6 -0.330860408594E+03 0.36969E-04 -0.28747E-05 2795 0.165E-02 0.446E-02 RMM: 7 -0.330860414661E+03 -0.60667E-05 -0.20222E-05 2572 0.136E-02 4886 T= 5812. E= 0.67555683E+03 F= 0.62540857E+03 E0= 0.65405663E+03 EK= 0.47327E+02 SP= 0.22E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331420631981E+03 -0.56022E+00 -0.10473E-01 7928 0.228E+01 0.202E-01 RMM: 2 -0.331434238348E+03 -0.13606E-01 -0.77564E-02 4973 0.683E-01 0.103E+00 RMM: 3 -0.331426986046E+03 0.72523E-02 -0.91331E-03 5540 0.204E-01 0.183E-01 RMM: 4 -0.331426717426E+03 0.26862E-03 -0.73030E-04 4669 0.585E-02 0.829E-02 RMM: 5 -0.331426686223E+03 0.31203E-04 -0.96497E-05 3749 0.261E-02 0.677E-02 RMM: 6 -0.331426661254E+03 0.24969E-04 -0.22223E-05 2558 0.143E-02 0.369E-02 RMM: 7 -0.331426663315E+03 -0.20605E-05 -0.14179E-05 2493 0.119E-02 4887 T= 5820. E= 0.67555251E+03 F= 0.62484233E+03 E0= 0.65350004E+03 EK= 0.47391E+02 SP= 0.27E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332010819213E+03 -0.58416E+00 -0.10255E-01 7736 0.228E+01 0.168E-01 RMM: 2 -0.332020528732E+03 -0.97095E-02 -0.71097E-02 4894 0.651E-01 0.735E-01 RMM: 3 -0.332016768107E+03 0.37606E-02 -0.84433E-03 5529 0.191E-01 0.133E-01 RMM: 4 -0.332016629174E+03 0.13893E-03 -0.55992E-04 4609 0.510E-02 0.892E-02 RMM: 5 -0.332016589984E+03 0.39190E-04 -0.75135E-05 3539 0.246E-02 0.690E-02 RMM: 6 -0.332016560927E+03 0.29056E-04 -0.24681E-05 2583 0.156E-02 0.322E-02 RMM: 7 -0.332016561489E+03 -0.56164E-06 -0.15262E-05 2489 0.122E-02 4888 T= 5833. E= 0.67554642E+03 F= 0.62425243E+03 E0= 0.65291598E+03 EK= 0.47500E+02 SP= 0.33E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332531732235E+03 -0.51517E+00 -0.10445E-01 7912 0.229E+01 0.163E-01 RMM: 2 -0.332541459799E+03 -0.97276E-02 -0.73045E-02 4920 0.659E-01 0.728E-01 RMM: 3 -0.332537906022E+03 0.35538E-02 -0.84479E-03 5759 0.183E-01 0.157E-01 RMM: 4 -0.332537677969E+03 0.22805E-03 -0.52046E-04 4609 0.527E-02 0.954E-02 RMM: 5 -0.332537626509E+03 0.51459E-04 -0.83364E-05 3556 0.262E-02 0.634E-02 RMM: 6 -0.332537605547E+03 0.20963E-04 -0.21506E-05 2552 0.142E-02 0.363E-02 RMM: 7 -0.332537604788E+03 0.75873E-06 -0.13446E-05 2488 0.113E-02 4889 T= 5840. E= 0.67554020E+03 F= 0.62373138E+03 E0= 0.65239835E+03 EK= 0.47561E+02 SP= 0.38E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332888795685E+03 -0.35119E+00 -0.10800E-01 8224 0.230E+01 0.147E-01 RMM: 2 -0.332899295715E+03 -0.10500E-01 -0.86637E-02 4925 0.691E-01 0.644E-01 RMM: 3 -0.332896277642E+03 0.30181E-02 -0.97053E-03 5877 0.187E-01 0.132E-01 RMM: 4 -0.332896074826E+03 0.20282E-03 -0.47542E-04 4515 0.514E-02 0.106E-01 RMM: 5 -0.332896001111E+03 0.73715E-04 -0.78264E-05 3508 0.268E-02 0.588E-02 RMM: 6 -0.332895988538E+03 0.12573E-04 -0.21506E-05 2532 0.137E-02 4890 T= 5831. E= 0.67553512E+03 F= 0.62337300E+03 E0= 0.65204002E+03 EK= 0.47484E+02 SP= 0.42E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333009371960E+03 -0.11337E+00 -0.10993E-01 8240 0.230E+01 0.157E-01 RMM: 2 -0.333021273601E+03 -0.11902E-01 -0.92038E-02 5044 0.684E-01 0.719E-01 RMM: 3 -0.333017326369E+03 0.39472E-02 -0.95734E-03 5655 0.194E-01 0.173E-01 RMM: 4 -0.333017068381E+03 0.25799E-03 -0.58070E-04 4583 0.519E-02 0.893E-02 RMM: 5 -0.333017016352E+03 0.52028E-04 -0.68166E-05 3472 0.233E-02 0.696E-02 RMM: 6 -0.333017001946E+03 0.14407E-04 -0.19492E-05 2517 0.135E-02 4891 T= 5796. E= 0.67553293E+03 F= 0.62325199E+03 E0= 0.65191626E+03 EK= 0.47197E+02 SP= 0.47E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332858699080E+03 0.15832E+00 -0.11020E-01 8376 0.230E+01 0.261E-01 RMM: 2 -0.332882635116E+03 -0.23936E-01 -0.95151E-02 4963 0.719E-01 0.153E+00 RMM: 3 -0.332866215113E+03 0.16420E-01 -0.12523E-02 5384 0.258E-01 0.248E-01 RMM: 4 -0.332865771993E+03 0.44312E-03 -0.12728E-03 4842 0.712E-02 0.847E-02 RMM: 5 -0.332865724555E+03 0.47438E-04 -0.12429E-04 4066 0.276E-02 0.757E-02 RMM: 6 -0.332865703670E+03 0.20885E-04 -0.23421E-05 2563 0.145E-02 0.600E-02 RMM: 7 -0.332865717281E+03 -0.13611E-04 -0.36152E-05 2815 0.172E-02 4892 T= 5731. E= 0.67553355E+03 F= 0.62340327E+03 E0= 0.65206253E+03 EK= 0.46667E+02 SP= 0.51E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332450718631E+03 0.41499E+00 -0.10907E-01 8248 0.229E+01 0.291E-01 RMM: 2 -0.332477923112E+03 -0.27204E-01 -0.96193E-02 4867 0.709E-01 0.168E+00 RMM: 3 -0.332458186215E+03 0.19737E-01 -0.13112E-02 5389 0.264E-01 0.277E-01 RMM: 4 -0.332457709915E+03 0.47630E-03 -0.15792E-03 4780 0.839E-02 0.142E-01 RMM: 5 -0.332457701116E+03 0.87992E-05 -0.24485E-04 3890 0.403E-02 0.139E-01 RMM: 6 -0.332457568183E+03 0.13293E-03 -0.79215E-05 3531 0.262E-02 0.402E-02 RMM: 7 -0.332457566261E+03 0.19221E-05 -0.19128E-05 2545 0.133E-02 4893 T= 5638. E= 0.67553773E+03 F= 0.62381142E+03 E0= 0.65246274E+03 EK= 0.45915E+02 SP= 0.55E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331850845535E+03 0.60672E+00 -0.11249E-01 7968 0.226E+01 0.199E-01 RMM: 2 -0.331867668269E+03 -0.16823E-01 -0.10407E-01 4918 0.714E-01 0.106E+00 RMM: 3 -0.331859451174E+03 0.82171E-02 -0.11517E-02 5570 0.224E-01 0.177E-01 RMM: 4 -0.331859200817E+03 0.25036E-03 -0.84556E-04 4980 0.582E-02 0.955E-02 RMM: 5 -0.331859130337E+03 0.70479E-04 -0.91795E-05 3681 0.256E-02 0.705E-02 RMM: 6 -0.331859104241E+03 0.26096E-04 -0.23662E-05 2569 0.147E-02 0.463E-02 RMM: 7 -0.331859105808E+03 -0.15668E-05 -0.23951E-05 2612 0.136E-02 4894 T= 5527. E= 0.67554466E+03 F= 0.62440988E+03 E0= 0.65304973E+03 EK= 0.45011E+02 SP= 0.59E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331165453461E+03 0.69365E+00 -0.11878E-01 8048 0.223E+01 0.191E-01 RMM: 2 -0.331180719915E+03 -0.15266E-01 -0.10908E-01 4867 0.758E-01 0.904E-01 RMM: 3 -0.331174926151E+03 0.57938E-02 -0.12704E-02 5858 0.219E-01 0.196E-01 RMM: 4 -0.331174520670E+03 0.40548E-03 -0.74899E-04 4725 0.610E-02 0.923E-02 RMM: 5 -0.331174484620E+03 0.36051E-04 -0.10956E-04 3700 0.292E-02 0.751E-02 RMM: 6 -0.331174450884E+03 0.33736E-04 -0.28554E-05 2701 0.164E-02 0.401E-02 RMM: 7 -0.331174451930E+03 -0.10458E-05 -0.16831E-05 2507 0.129E-02 4895 T= 5410. E= 0.67555297E+03 F= 0.62509454E+03 E0= 0.65372044E+03 EK= 0.44059E+02 SP= 0.62E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330516434493E+03 0.65802E+00 -0.12769E-01 7928 0.220E+01 0.157E-01 RMM: 2 -0.330531433216E+03 -0.14999E-01 -0.12924E-01 4855 0.828E-01 0.678E-01 RMM: 3 -0.330527892830E+03 0.35404E-02 -0.14398E-02 6117 0.215E-01 0.123E-01 RMM: 4 -0.330527597248E+03 0.29558E-03 -0.59428E-04 4629 0.589E-02 0.127E-01 RMM: 5 -0.330527497805E+03 0.99442E-04 -0.95653E-05 3623 0.302E-02 0.578E-02 RMM: 6 -0.330527482587E+03 0.15219E-04 -0.24150E-05 2550 0.144E-02 4896 T= 5303. E= 0.67556140E+03 F= 0.62574151E+03 E0= 0.65435163E+03 EK= 0.43185E+02 SP= 0.65E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330031793787E+03 0.49570E+00 -0.11710E-01 7904 0.217E+01 0.200E-01 RMM: 2 -0.330050538960E+03 -0.18745E-01 -0.11355E-01 4901 0.770E-01 0.113E+00 RMM: 3 -0.330041540983E+03 0.89980E-02 -0.12686E-02 5605 0.230E-01 0.219E-01 RMM: 4 -0.330041121522E+03 0.41946E-03 -0.90551E-04 4799 0.642E-02 0.848E-02 RMM: 5 -0.330041091698E+03 0.29824E-04 -0.11654E-04 3834 0.286E-02 0.774E-02 RMM: 6 -0.330041063294E+03 0.28403E-04 -0.26538E-05 2579 0.153E-02 0.550E-02 RMM: 7 -0.330041082872E+03 -0.19577E-04 -0.40386E-05 3000 0.186E-02 4897 T= 5220. E= 0.67556840E+03 F= 0.62622791E+03 E0= 0.65482118E+03 EK= 0.42511E+02 SP= 0.67E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329810620868E+03 0.23044E+00 -0.10653E-01 8104 0.216E+01 0.229E-01 RMM: 2 -0.329828127489E+03 -0.17507E-01 -0.96179E-02 4942 0.708E-01 0.118E+00 RMM: 3 -0.329818282926E+03 0.98446E-02 -0.10870E-02 5545 0.224E-01 0.197E-01 RMM: 4 -0.329818086428E+03 0.19650E-03 -0.10435E-03 4689 0.700E-02 0.144E-01 RMM: 5 -0.329818028084E+03 0.58344E-04 -0.17265E-04 3864 0.331E-02 0.115E-01 RMM: 6 -0.329817939083E+03 0.89000E-04 -0.52268E-05 3261 0.217E-02 0.294E-02 RMM: 7 -0.329817940266E+03 -0.11827E-05 -0.15042E-05 2509 0.120E-02 4898 T= 5175. E= 0.67557311E+03 F= 0.62645105E+03 E0= 0.65502727E+03 EK= 0.42140E+02 SP= 0.69E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329917343454E+03 -0.99404E-01 -0.10899E-01 7960 0.215E+01 0.197E-01 RMM: 2 -0.329934689555E+03 -0.17346E-01 -0.10351E-01 4980 0.725E-01 0.110E+00 RMM: 3 -0.329926027657E+03 0.86619E-02 -0.11235E-02 5627 0.213E-01 0.165E-01 RMM: 4 -0.329925753790E+03 0.27387E-03 -0.77522E-04 4819 0.585E-02 0.867E-02 RMM: 5 -0.329925712682E+03 0.41108E-04 -0.99296E-05 3767 0.258E-02 0.692E-02 RMM: 6 -0.329925685536E+03 0.27146E-04 -0.23983E-05 2570 0.148E-02 0.420E-02 RMM: 7 -0.329925688366E+03 -0.28295E-05 -0.18589E-05 2521 0.130E-02 4899 T= 5174. E= 0.67557507E+03 F= 0.62634330E+03 E0= 0.65490284E+03 EK= 0.42138E+02 SP= 0.71E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330386190586E+03 -0.46051E+00 -0.11174E-01 8256 0.216E+01 0.171E-01 RMM: 2 -0.330399736356E+03 -0.13546E-01 -0.99321E-02 4936 0.712E-01 0.825E-01 RMM: 3 -0.330394753864E+03 0.49825E-02 -0.10796E-02 5783 0.198E-01 0.175E-01 RMM: 4 -0.330394435985E+03 0.31788E-03 -0.64759E-04 4700 0.556E-02 0.767E-02 RMM: 5 -0.330394414897E+03 0.21088E-04 -0.88160E-05 3664 0.244E-02 0.687E-02 RMM: 6 -0.330394387173E+03 0.27724E-04 -0.21986E-05 2561 0.145E-02 0.357E-02 RMM: 7 -0.330394388986E+03 -0.18138E-05 -0.15032E-05 2493 0.123E-02 4900 T= 5223. E= 0.67557454E+03 F= 0.62587460E+03 E0= 0.65441744E+03 EK= 0.42535E+02 SP= 0.72E+01 SK= 0.85E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331210256326E+03 -0.81587E+00 -0.11481E-01 8256 0.217E+01 0.154E-01 RMM: 2 -0.331223456325E+03 -0.13200E-01 -0.11331E-01 4850 0.767E-01 0.655E-01 RMM: 3 -0.331220250943E+03 0.32054E-02 -0.12667E-02 6116 0.198E-01 0.131E-01 RMM: 4 -0.331219934806E+03 0.31614E-03 -0.56289E-04 4557 0.574E-02 0.106E-01 RMM: 5 -0.331219870514E+03 0.64292E-04 -0.91262E-05 3574 0.273E-02 0.637E-02 RMM: 6 -0.331219848827E+03 0.21687E-04 -0.22397E-05 2552 0.143E-02 0.390E-02 RMM: 7 -0.331219847827E+03 0.99976E-06 -0.20642E-05 2543 0.139E-02 4901 T= 5320. E= 0.67557185E+03 F= 0.62504914E+03 E0= 0.65357498E+03 EK= 0.43325E+02 SP= 0.72E+01 SK= 0.65E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332357953054E+03 -0.11381E+01 -0.11636E-01 8296 0.219E+01 0.169E-01 RMM: 2 -0.332371280257E+03 -0.13327E-01 -0.10615E-01 4930 0.736E-01 0.756E-01 RMM: 3 -0.332367082241E+03 0.41980E-02 -0.11323E-02 5961 0.199E-01 0.154E-01 RMM: 4 -0.332366788890E+03 0.29335E-03 -0.57466E-04 4708 0.535E-02 0.941E-02 RMM: 5 -0.332366736786E+03 0.52104E-04 -0.87059E-05 3590 0.258E-02 0.627E-02 RMM: 6 -0.332366716994E+03 0.19792E-04 -0.24575E-05 2578 0.152E-02 4902 T= 5461. E= 0.67556703E+03 F= 0.62390227E+03 E0= 0.65241072E+03 EK= 0.44471E+02 SP= 0.72E+01 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333761345390E+03 -0.13946E+01 -0.12123E-01 8192 0.222E+01 0.179E-01 RMM: 2 -0.333778344673E+03 -0.16999E-01 -0.11816E-01 5035 0.756E-01 0.958E-01 RMM: 3 -0.333771591481E+03 0.67532E-02 -0.12271E-02 5794 0.208E-01 0.180E-01 RMM: 4 -0.333771219684E+03 0.37180E-03 -0.70750E-04 4722 0.579E-02 0.873E-02 RMM: 5 -0.333771168752E+03 0.50932E-04 -0.93980E-05 3796 0.247E-02 0.640E-02 RMM: 6 -0.333771154622E+03 0.14130E-04 -0.21347E-05 2556 0.137E-02 4903 T= 5637. E= 0.67556039E+03 F= 0.62249783E+03 E0= 0.65098799E+03 EK= 0.45907E+02 SP= 0.71E+01 SK= 0.75E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335338044281E+03 -0.15669E+01 -0.11572E-01 8584 0.226E+01 0.296E-01 RMM: 2 -0.335367211084E+03 -0.29167E-01 -0.10778E-01 5129 0.752E-01 0.172E+00 RMM: 3 -0.335346680187E+03 0.20531E-01 -0.13929E-02 5406 0.271E-01 0.319E-01 RMM: 4 -0.335345919436E+03 0.76075E-03 -0.15941E-03 4738 0.839E-02 0.825E-02 RMM: 5 -0.335345888678E+03 0.30758E-04 -0.19488E-04 4100 0.312E-02 0.814E-02 RMM: 6 -0.335345849447E+03 0.39231E-04 -0.28818E-05 2675 0.166E-02 0.497E-02 RMM: 7 -0.335345854766E+03 -0.53186E-05 -0.23574E-05 2553 0.147E-02 4904 T= 5838. E= 0.67555223E+03 F= 0.62092313E+03 E0= 0.64939379E+03 EK= 0.47542E+02 SP= 0.71E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336977219625E+03 -0.16314E+01 -0.11579E-01 8696 0.230E+01 0.262E-01 RMM: 2 -0.336997975062E+03 -0.20755E-01 -0.10657E-01 5151 0.731E-01 0.129E+00 RMM: 3 -0.336985981503E+03 0.11994E-01 -0.11905E-02 5432 0.241E-01 0.294E-01 RMM: 4 -0.336985412586E+03 0.56892E-03 -0.14090E-03 4724 0.814E-02 0.112E-01 RMM: 5 -0.336985387576E+03 0.25011E-04 -0.21672E-04 3904 0.364E-02 0.118E-01 RMM: 6 -0.336985299307E+03 0.88268E-04 -0.59133E-05 3350 0.230E-02 0.330E-02 RMM: 7 -0.336985302706E+03 -0.33982E-05 -0.18199E-05 2529 0.127E-02 4905 T= 6050. E= 0.67554339E+03 F= 0.61928369E+03 E0= 0.64773372E+03 EK= 0.49267E+02 SP= 0.70E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338564863455E+03 -0.15796E+01 -0.12242E-01 8568 0.234E+01 0.203E-01 RMM: 2 -0.338583619139E+03 -0.18756E-01 -0.12422E-01 5082 0.785E-01 0.107E+00 RMM: 3 -0.338575495595E+03 0.81235E-02 -0.12606E-02 5703 0.220E-01 0.186E-01 RMM: 4 -0.338575142382E+03 0.35321E-03 -0.84719E-04 4830 0.621E-02 0.106E-01 RMM: 5 -0.338575060626E+03 0.81757E-04 -0.12828E-04 3866 0.304E-02 0.655E-02 RMM: 6 -0.338575034912E+03 0.25713E-04 -0.30132E-05 2756 0.164E-02 0.451E-02 RMM: 7 -0.338575027101E+03 0.78114E-05 -0.26972E-05 2570 0.153E-02 4906 T= 6258. E= 0.67553405E+03 F= 0.61769396E+03 E0= 0.64612139E+03 EK= 0.50961E+02 SP= 0.68E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339992094368E+03 -0.14171E+01 -0.12121E-01 8736 0.237E+01 0.149E-01 RMM: 2 -0.340004328802E+03 -0.12234E-01 -0.11060E-01 5076 0.741E-01 0.573E-01 RMM: 3 -0.340001653463E+03 0.26753E-02 -0.10885E-02 6095 0.190E-01 0.111E-01 RMM: 4 -0.340001426712E+03 0.22675E-03 -0.46612E-04 4541 0.491E-02 0.102E-01 RMM: 5 -0.340001349407E+03 0.77305E-04 -0.74655E-05 3481 0.256E-02 0.559E-02 RMM: 6 -0.340001336787E+03 0.12620E-04 -0.22605E-05 2545 0.139E-02 4907 T= 6448. E= 0.67552574E+03 F= 0.61626765E+03 E0= 0.64467171E+03 EK= 0.52505E+02 SP= 0.67E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341155933248E+03 -0.11546E+01 -0.12035E-01 8416 0.240E+01 0.166E-01 RMM: 2 -0.341170380856E+03 -0.14448E-01 -0.11717E-01 4998 0.761E-01 0.741E-01 RMM: 3 -0.341166039117E+03 0.43417E-02 -0.11722E-02 5832 0.210E-01 0.139E-01 RMM: 4 -0.341165802370E+03 0.23675E-03 -0.61456E-04 4787 0.541E-02 0.102E-01 RMM: 5 -0.341165721448E+03 0.80922E-04 -0.88834E-05 3624 0.268E-02 0.539E-02 RMM: 6 -0.341165710068E+03 0.11380E-04 -0.22700E-05 2547 0.139E-02 4908 T= 6606. E= 0.67551974E+03 F= 0.61510328E+03 E0= 0.64348376E+03 EK= 0.53796E+02 SP= 0.66E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341988830980E+03 -0.82311E+00 -0.11554E-01 8512 0.243E+01 0.235E-01 RMM: 2 -0.342007748502E+03 -0.18918E-01 -0.10053E-01 5195 0.721E-01 0.123E+00 RMM: 3 -0.341996965448E+03 0.10783E-01 -0.10485E-02 5536 0.221E-01 0.227E-01 RMM: 4 -0.341996551682E+03 0.41377E-03 -0.96741E-04 4695 0.664E-02 0.852E-02 RMM: 5 -0.341996518938E+03 0.32744E-04 -0.12377E-04 3893 0.281E-02 0.803E-02 RMM: 6 -0.341996479611E+03 0.39327E-04 -0.26353E-05 2616 0.158E-02 0.463E-02 RMM: 7 -0.341996484148E+03 -0.45366E-05 -0.27542E-05 2586 0.157E-02 4909 T= 6724. E= 0.67551578E+03 F= 0.61427251E+03 E0= 0.64263093E+03 EK= 0.54753E+02 SP= 0.65E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342443863331E+03 -0.44738E+00 -0.11384E-01 8336 0.244E+01 0.193E-01 RMM: 2 -0.342457583866E+03 -0.13721E-01 -0.94456E-02 5170 0.685E-01 0.891E-01 RMM: 3 -0.342451454836E+03 0.61290E-02 -0.88616E-03 5591 0.199E-01 0.199E-01 RMM: 4 -0.342451193632E+03 0.26120E-03 -0.78468E-04 4675 0.621E-02 0.106E-01 RMM: 5 -0.342451144875E+03 0.48756E-04 -0.11766E-04 3795 0.281E-02 0.830E-02 RMM: 6 -0.342451102664E+03 0.42211E-04 -0.27811E-05 2733 0.166E-02 0.321E-02 RMM: 7 -0.342451105210E+03 -0.25464E-05 -0.17029E-05 2493 0.129E-02 4910 T= 6794. E= 0.67551452E+03 F= 0.61381788E+03 E0= 0.64215655E+03 EK= 0.55329E+02 SP= 0.63E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342512005476E+03 -0.60903E-01 -0.11356E-01 8232 0.245E+01 0.147E-01 RMM: 2 -0.342523171107E+03 -0.11166E-01 -0.92511E-02 5195 0.676E-01 0.657E-01 RMM: 3 -0.342519605256E+03 0.35659E-02 -0.80970E-03 5912 0.177E-01 0.130E-01 RMM: 4 -0.342519441415E+03 0.16384E-03 -0.43051E-04 4438 0.471E-02 0.947E-02 RMM: 5 -0.342519378585E+03 0.62830E-04 -0.62684E-05 3352 0.236E-02 0.587E-02 RMM: 6 -0.342519362308E+03 0.16277E-04 -0.21938E-05 2537 0.143E-02 4911 T= 6817. E= 0.67551551E+03 F= 0.61374963E+03 E0= 0.64207204E+03 EK= 0.55511E+02 SP= 0.62E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342211842616E+03 0.30754E+00 -0.11596E-01 8128 0.245E+01 0.192E-01 RMM: 2 -0.342226656311E+03 -0.14814E-01 -0.87352E-02 5151 0.674E-01 0.103E+00 RMM: 3 -0.342218942286E+03 0.77140E-02 -0.90565E-03 5539 0.202E-01 0.159E-01 RMM: 4 -0.342218733937E+03 0.20835E-03 -0.64577E-04 4844 0.518E-02 0.713E-02 RMM: 5 -0.342218696962E+03 0.36975E-04 -0.57494E-05 3247 0.220E-02 0.612E-02 RMM: 6 -0.342218684436E+03 0.12527E-04 -0.22488E-05 2519 0.146E-02 4912 T= 6792. E= 0.67551858E+03 F= 0.61405030E+03 E0= 0.64236030E+03 EK= 0.55313E+02 SP= 0.61E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341583477259E+03 0.63522E+00 -0.11624E-01 7720 0.244E+01 0.296E-01 RMM: 2 -0.341608334578E+03 -0.24857E-01 -0.98030E-02 4952 0.755E-01 0.157E+00 RMM: 3 -0.341591191313E+03 0.17143E-01 -0.13976E-02 5383 0.276E-01 0.290E-01 RMM: 4 -0.341590568038E+03 0.62328E-03 -0.14390E-03 4775 0.790E-02 0.761E-02 RMM: 5 -0.341590559718E+03 0.83202E-05 -0.15767E-04 4042 0.297E-02 4913 T= 6727. E= 0.67552406E+03 F= 0.61467843E+03 E0= 0.64297951E+03 EK= 0.54778E+02 SP= 0.61E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340681361494E+03 0.90921E+00 -0.11723E-01 7816 0.242E+01 0.232E-01 RMM: 2 -0.340702039169E+03 -0.20678E-01 -0.10331E-01 4958 0.744E-01 0.129E+00 RMM: 3 -0.340690195063E+03 0.11844E-01 -0.12548E-02 5439 0.243E-01 0.253E-01 RMM: 4 -0.340689696624E+03 0.49844E-03 -0.10884E-03 4728 0.692E-02 0.861E-02 RMM: 5 -0.340689664482E+03 0.32142E-04 -0.12627E-04 4066 0.278E-02 0.719E-02 RMM: 6 -0.340689637914E+03 0.26568E-04 -0.22164E-05 2553 0.138E-02 0.512E-02 RMM: 7 -0.340689652506E+03 -0.14592E-04 -0.33862E-05 2810 0.169E-02 4914 T= 6626. E= 0.67553057E+03 F= 0.61557934E+03 E0= 0.64387546E+03 EK= 0.53961E+02 SP= 0.60E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339571185940E+03 0.11185E+01 -0.11246E-01 7536 0.240E+01 0.206E-01 RMM: 2 -0.339583637324E+03 -0.12451E-01 -0.94034E-02 4719 0.735E-01 0.810E-01 RMM: 3 -0.339579024747E+03 0.46126E-02 -0.11391E-02 5624 0.215E-01 0.151E-01 RMM: 4 -0.339578963795E+03 0.60952E-04 -0.80047E-04 4708 0.639E-02 0.169E-01 RMM: 5 -0.339578828136E+03 0.13566E-03 -0.15021E-04 3871 0.327E-02 0.987E-02 RMM: 6 -0.339578763034E+03 0.65102E-04 -0.49946E-05 3196 0.213E-02 0.225E-02 RMM: 7 -0.339578772142E+03 -0.91076E-05 -0.15560E-05 2507 0.126E-02 4915 T= 6499. E= 0.67553590E+03 F= 0.61669022E+03 E0= 0.64498324E+03 EK= 0.52927E+02 SP= 0.59E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338313686539E+03 0.12651E+01 -0.11130E-01 7784 0.238E+01 0.151E-01 RMM: 2 -0.338326783241E+03 -0.13097E-01 -0.10087E-01 4772 0.742E-01 0.756E-01 RMM: 3 -0.338322580860E+03 0.42024E-02 -0.11443E-02 5817 0.203E-01 0.137E-01 RMM: 4 -0.338322350172E+03 0.23069E-03 -0.54167E-04 4618 0.547E-02 0.887E-02 RMM: 5 -0.338322284053E+03 0.66118E-04 -0.77129E-05 3475 0.259E-02 0.492E-02 RMM: 6 -0.338322274066E+03 0.99872E-05 -0.23742E-05 2530 0.142E-02 4916 T= 6354. E= 0.67554242E+03 F= 0.61794672E+03 E0= 0.64623852E+03 EK= 0.51747E+02 SP= 0.58E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336980904135E+03 0.13414E+01 -0.12057E-01 7544 0.236E+01 0.197E-01 RMM: 2 -0.337001675895E+03 -0.20772E-01 -0.13636E-01 4654 0.896E-01 0.110E+00 RMM: 3 -0.336993066634E+03 0.86093E-02 -0.16697E-02 5738 0.249E-01 0.178E-01 RMM: 4 -0.336992679630E+03 0.38700E-03 -0.96552E-04 4973 0.659E-02 0.724E-02 RMM: 5 -0.336992654641E+03 0.24989E-04 -0.11860E-04 4056 0.291E-02 0.652E-02 RMM: 6 -0.336992633739E+03 0.20902E-04 -0.26325E-05 2569 0.152E-02 0.476E-02 RMM: 7 -0.336992654400E+03 -0.20661E-04 -0.33423E-05 2772 0.173E-02 0.782E-02 RMM: 8 -0.336992611946E+03 0.42453E-04 -0.42809E-05 2840 0.169E-02 0.266E-02 RMM: 9 -0.336992609938E+03 0.20084E-05 -0.13214E-05 2467 0.107E-02 4917 T= 6201. E= 0.67554805E+03 F= 0.61927638E+03 E0= 0.64756830E+03 EK= 0.50496E+02 SP= 0.58E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335657682419E+03 0.13349E+01 -0.10850E-01 7544 0.234E+01 0.219E-01 RMM: 2 -0.335672314074E+03 -0.14632E-01 -0.93339E-02 4779 0.727E-01 0.100E+00 RMM: 3 -0.335665217752E+03 0.70963E-02 -0.11038E-02 5600 0.218E-01 0.193E-01 RMM: 4 -0.335665044721E+03 0.17303E-03 -0.10147E-03 4693 0.739E-02 0.159E-01 RMM: 5 -0.335664898628E+03 0.14609E-03 -0.16824E-04 3869 0.334E-02 0.831E-02 RMM: 6 -0.335664853626E+03 0.45001E-04 -0.33932E-05 2926 0.182E-02 0.251E-02 RMM: 7 -0.335664858510E+03 -0.48840E-05 -0.16884E-05 2500 0.126E-02 4918 T= 6049. E= 0.67555401E+03 F= 0.62060413E+03 E0= 0.64889720E+03 EK= 0.49257E+02 SP= 0.57E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334406750004E+03 0.12581E+01 -0.10692E-01 7632 0.232E+01 0.171E-01 RMM: 2 -0.334419762835E+03 -0.13013E-01 -0.92237E-02 4855 0.728E-01 0.852E-01 RMM: 3 -0.334414769299E+03 0.49935E-02 -0.11034E-02 5813 0.205E-01 0.158E-01 RMM: 4 -0.334414500369E+03 0.26893E-03 -0.58127E-04 4754 0.535E-02 0.731E-02 RMM: 5 -0.334414465888E+03 0.34481E-04 -0.75387E-05 3616 0.231E-02 0.589E-02 RMM: 6 -0.334414449867E+03 0.16021E-04 -0.20194E-05 2529 0.136E-02 4919 T= 5908. E= 0.67555990E+03 F= 0.62185454E+03 E0= 0.65015041E+03 EK= 0.48109E+02 SP= 0.56E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333304944528E+03 0.11095E+01 -0.10847E-01 7536 0.230E+01 0.201E-01 RMM: 2 -0.333319706241E+03 -0.14762E-01 -0.85953E-02 4918 0.697E-01 0.104E+00 RMM: 3 -0.333312169049E+03 0.75372E-02 -0.10249E-02 5509 0.217E-01 0.162E-01 RMM: 4 -0.333311966093E+03 0.20296E-03 -0.79592E-04 5179 0.525E-02 0.759E-02 RMM: 5 -0.333311918034E+03 0.48059E-04 -0.62833E-05 3275 0.240E-02 0.621E-02 RMM: 6 -0.333311904761E+03 0.13274E-04 -0.22495E-05 2526 0.142E-02 4920 T= 5787. E= 0.67556485E+03 F= 0.62295708E+03 E0= 0.65125631E+03 EK= 0.47126E+02 SP= 0.54E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332410575813E+03 0.90134E+00 -0.10625E-01 7776 0.228E+01 0.350E-01 RMM: 2 -0.332443641213E+03 -0.33065E-01 -0.94252E-02 5004 0.762E-01 0.195E+00 RMM: 3 -0.332417475032E+03 0.26166E-01 -0.15713E-02 5362 0.308E-01 0.327E-01 RMM: 4 -0.332416688653E+03 0.78638E-03 -0.17111E-03 4804 0.844E-02 0.717E-02 RMM: 5 -0.332416687784E+03 0.86934E-06 -0.18796E-04 4191 0.299E-02 4921 T= 5694. E= 0.67556967E+03 F= 0.62385230E+03 E0= 0.65215592E+03 EK= 0.46372E+02 SP= 0.53E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331764034248E+03 0.65265E+00 -0.10540E-01 7696 0.228E+01 0.241E-01 RMM: 2 -0.331784367865E+03 -0.20334E-01 -0.89563E-02 5073 0.705E-01 0.136E+00 RMM: 3 -0.331771582563E+03 0.12785E-01 -0.10886E-02 5433 0.237E-01 0.280E-01 RMM: 4 -0.331771024796E+03 0.55777E-03 -0.11297E-03 4663 0.704E-02 0.880E-02 RMM: 5 -0.331770991740E+03 0.33057E-04 -0.13523E-04 3949 0.290E-02 0.789E-02 RMM: 6 -0.331770950593E+03 0.41147E-04 -0.25171E-05 2582 0.146E-02 0.507E-02 RMM: 7 -0.331770956650E+03 -0.60564E-05 -0.42366E-05 3018 0.183E-02 4922 T= 5635. E= 0.67557242E+03 F= 0.62449803E+03 E0= 0.65280783E+03 EK= 0.45891E+02 SP= 0.51E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331385416050E+03 0.38553E+00 -0.10921E-01 7544 0.227E+01 0.265E-01 RMM: 2 -0.331403135786E+03 -0.17720E-01 -0.11213E-01 4787 0.825E-01 0.113E+00 RMM: 3 -0.331394346351E+03 0.87894E-02 -0.13514E-02 5550 0.247E-01 0.188E-01 RMM: 4 -0.331394185056E+03 0.16130E-03 -0.11393E-03 4741 0.721E-02 0.164E-01 RMM: 5 -0.331394075336E+03 0.10972E-03 -0.18635E-04 3877 0.327E-02 0.107E-01 RMM: 6 -0.331393999245E+03 0.76091E-04 -0.54035E-05 3259 0.216E-02 0.249E-02 RMM: 7 -0.331394000517E+03 -0.12723E-05 -0.13593E-05 2499 0.114E-02 4923 T= 5612. E= 0.67557272E+03 F= 0.62487499E+03 E0= 0.65319194E+03 EK= 0.45704E+02 SP= 0.49E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331273169488E+03 0.12083E+00 -0.10050E-01 7608 0.227E+01 0.176E-01 RMM: 2 -0.331286447685E+03 -0.13278E-01 -0.10297E-01 5008 0.768E-01 0.808E-01 RMM: 3 -0.331282113581E+03 0.43341E-02 -0.11203E-02 5904 0.197E-01 0.159E-01 RMM: 4 -0.331281805935E+03 0.30765E-03 -0.56049E-04 4661 0.557E-02 0.938E-02 RMM: 5 -0.331281724055E+03 0.81879E-04 -0.86349E-05 3721 0.242E-02 0.618E-02 RMM: 6 -0.331281705983E+03 0.18073E-04 -0.23283E-05 2552 0.142E-02 4924 T= 5625. E= 0.67557182E+03 F= 0.62498728E+03 E0= 0.65331261E+03 EK= 0.45809E+02 SP= 0.46E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331397647005E+03 -0.11592E+00 -0.98392E-02 7352 0.227E+01 0.209E-01 RMM: 2 -0.331416131112E+03 -0.18484E-01 -0.10554E-01 4911 0.780E-01 0.117E+00 RMM: 3 -0.331406685780E+03 0.94453E-02 -0.12202E-02 5533 0.227E-01 0.185E-01 RMM: 4 -0.331406392518E+03 0.29326E-03 -0.86620E-04 4828 0.610E-02 0.827E-02 RMM: 5 -0.331406346005E+03 0.46513E-04 -0.11551E-04 3981 0.278E-02 0.674E-02 RMM: 6 -0.331406324294E+03 0.21711E-04 -0.27125E-05 2604 0.150E-02 0.551E-02 RMM: 7 -0.331406339948E+03 -0.15654E-04 -0.60728E-05 3470 0.220E-02 4925 T= 5671. E= 0.67556883E+03 F= 0.62486265E+03 E0= 0.65319711E+03 EK= 0.46179E+02 SP= 0.43E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331712991937E+03 -0.30667E+00 -0.96045E-02 7256 0.228E+01 0.281E-01 RMM: 2 -0.331729785922E+03 -0.16794E-01 -0.93760E-02 5020 0.770E-01 0.121E+00 RMM: 3 -0.331720035513E+03 0.97504E-02 -0.11180E-02 5424 0.236E-01 0.250E-01 RMM: 4 -0.331719690158E+03 0.34536E-03 -0.13080E-03 4706 0.810E-02 0.154E-01 RMM: 5 -0.331719579287E+03 0.11087E-03 -0.21116E-04 3880 0.358E-02 0.997E-02 RMM: 6 -0.331719516742E+03 0.62545E-04 -0.48867E-05 3199 0.212E-02 0.285E-02 RMM: 7 -0.331719518929E+03 -0.21875E-05 -0.16648E-05 2506 0.123E-02 4926 T= 5743. E= 0.67556472E+03 F= 0.62454947E+03 E0= 0.65289361E+03 EK= 0.46768E+02 SP= 0.40E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332148043624E+03 -0.42853E+00 -0.10253E-01 7480 0.229E+01 0.200E-01 RMM: 2 -0.332164607800E+03 -0.16564E-01 -0.11036E-01 4971 0.804E-01 0.102E+00 RMM: 3 -0.332157506658E+03 0.71011E-02 -0.12353E-02 5708 0.216E-01 0.170E-01 RMM: 4 -0.332157198280E+03 0.30838E-03 -0.74075E-04 4715 0.616E-02 0.102E-01 RMM: 5 -0.332157129168E+03 0.69111E-04 -0.11472E-04 3811 0.287E-02 0.678E-02 RMM: 6 -0.332157104086E+03 0.25083E-04 -0.28811E-05 2651 0.159E-02 0.429E-02 RMM: 7 -0.332157100497E+03 0.35884E-05 -0.25835E-05 2532 0.153E-02 4927 T= 5834. E= 0.67556041E+03 F= 0.62411189E+03 E0= 0.65246495E+03 EK= 0.47510E+02 SP= 0.37E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332639854003E+03 -0.48275E+00 -0.98152E-02 7752 0.230E+01 0.187E-01 RMM: 2 -0.332651755285E+03 -0.11901E-01 -0.88856E-02 4871 0.745E-01 0.813E-01 RMM: 3 -0.332647329659E+03 0.44256E-02 -0.10510E-02 5720 0.210E-01 0.132E-01 RMM: 4 -0.332647165662E+03 0.16400E-03 -0.61576E-04 4791 0.543E-02 0.106E-01 RMM: 5 -0.332647093991E+03 0.71670E-04 -0.90673E-05 3656 0.275E-02 0.594E-02 RMM: 6 -0.332647074481E+03 0.19510E-04 -0.24010E-05 2558 0.147E-02 4928 T= 5935. E= 0.67555577E+03 F= 0.62362191E+03 E0= 0.65198322E+03 EK= 0.48333E+02 SP= 0.33E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333111305868E+03 -0.46421E+00 -0.98052E-02 7608 0.231E+01 0.199E-01 RMM: 2 -0.333125765239E+03 -0.14459E-01 -0.86223E-02 4958 0.723E-01 0.102E+00 RMM: 3 -0.333118577135E+03 0.71881E-02 -0.99534E-03 5509 0.214E-01 0.184E-01 RMM: 4 -0.333118338233E+03 0.23890E-03 -0.71691E-04 4677 0.584E-02 0.953E-02 RMM: 5 -0.333118270041E+03 0.68191E-04 -0.99349E-05 3761 0.278E-02 0.642E-02 RMM: 6 -0.333118249613E+03 0.20428E-04 -0.24876E-05 2564 0.148E-02 0.481E-02 RMM: 7 -0.333118241067E+03 0.85459E-05 -0.36591E-05 2671 0.184E-02 4929 T= 6037. E= 0.67555133E+03 F= 0.62315075E+03 E0= 0.65151921E+03 EK= 0.49162E+02 SP= 0.29E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333503369784E+03 -0.38512E+00 -0.98624E-02 7576 0.233E+01 0.196E-01 RMM: 2 -0.333514793016E+03 -0.11423E-01 -0.78065E-02 4825 0.713E-01 0.863E-01 RMM: 3 -0.333509872839E+03 0.49202E-02 -0.99392E-03 5561 0.215E-01 0.186E-01 RMM: 4 -0.333509643752E+03 0.22909E-03 -0.71223E-04 4634 0.613E-02 0.107E-01 RMM: 5 -0.333509588655E+03 0.55097E-04 -0.11519E-04 3748 0.300E-02 0.799E-02 RMM: 6 -0.333509549650E+03 0.39005E-04 -0.29589E-05 2764 0.170E-02 0.306E-02 RMM: 7 -0.333509550132E+03 -0.48190E-06 -0.14746E-05 2486 0.123E-02 4930 T= 6132. E= 0.67554831E+03 F= 0.62275944E+03 E0= 0.65113355E+03 EK= 0.49936E+02 SP= 0.25E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333770902810E+03 -0.26135E+00 -0.10178E-01 7824 0.234E+01 0.160E-01 RMM: 2 -0.333782600019E+03 -0.11697E-01 -0.89925E-02 4787 0.730E-01 0.752E-01 RMM: 3 -0.333778603692E+03 0.39963E-02 -0.10670E-02 5729 0.209E-01 0.132E-01 RMM: 4 -0.333778433736E+03 0.16996E-03 -0.51068E-04 4652 0.528E-02 0.976E-02 RMM: 5 -0.333778363638E+03 0.70099E-04 -0.75415E-05 3475 0.270E-02 0.578E-02 RMM: 6 -0.333778348682E+03 0.14955E-04 -0.24692E-05 2538 0.148E-02 4931 T= 6215. E= 0.67554725E+03 F= 0.62249064E+03 E0= 0.65086948E+03 EK= 0.50608E+02 SP= 0.21E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333898063898E+03 -0.11970E+00 -0.10487E-01 7920 0.235E+01 0.214E-01 RMM: 2 -0.333914997587E+03 -0.16934E-01 -0.83885E-02 4800 0.717E-01 0.119E+00 RMM: 3 -0.333905006433E+03 0.99912E-02 -0.11372E-02 5413 0.243E-01 0.188E-01 RMM: 4 -0.333904754962E+03 0.25147E-03 -0.83431E-04 4804 0.592E-02 0.740E-02 RMM: 5 -0.333904715438E+03 0.39524E-04 -0.86683E-05 3692 0.280E-02 0.630E-02 RMM: 6 -0.333904697658E+03 0.17781E-04 -0.25179E-05 2554 0.150E-02 4932 T= 6282. E= 0.67554772E+03 F= 0.62236429E+03 E0= 0.65074722E+03 EK= 0.51155E+02 SP= 0.16E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333884457700E+03 0.20258E-01 -0.11143E-01 7752 0.235E+01 0.298E-01 RMM: 2 -0.333913547615E+03 -0.29090E-01 -0.10704E-01 4747 0.811E-01 0.172E+00 RMM: 3 -0.333893034945E+03 0.20513E-01 -0.15650E-02 5385 0.297E-01 0.299E-01 RMM: 4 -0.333892393105E+03 0.64184E-03 -0.15495E-03 4909 0.824E-02 0.838E-02 RMM: 5 -0.333892370505E+03 0.22600E-04 -0.17156E-04 4098 0.295E-02 0.913E-02 RMM: 6 -0.333892318144E+03 0.52361E-04 -0.30282E-05 2678 0.168E-02 0.492E-02 RMM: 7 -0.333892319148E+03 -0.10040E-05 -0.23761E-05 2536 0.150E-02 4933 T= 6334. E= 0.67554965E+03 F= 0.62237667E+03 E0= 0.65076357E+03 EK= 0.51577E+02 SP= 0.12E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333758158536E+03 0.13416E+00 -0.11000E-01 7840 0.236E+01 0.284E-01 RMM: 2 -0.333781798442E+03 -0.23640E-01 -0.98124E-02 4828 0.765E-01 0.150E+00 RMM: 3 -0.333766146971E+03 0.15651E-01 -0.14008E-02 5389 0.275E-01 0.294E-01 RMM: 4 -0.333765563435E+03 0.58354E-03 -0.15362E-03 4910 0.852E-02 0.109E-01 RMM: 5 -0.333765606360E+03 -0.42925E-04 -0.21606E-04 3893 0.357E-02 0.136E-01 RMM: 6 -0.333765475458E+03 0.13090E-03 -0.63510E-05 3381 0.237E-02 0.317E-02 RMM: 7 -0.333765474802E+03 0.65600E-06 -0.16855E-05 2515 0.126E-02 4934 T= 6373. E= 0.67555273E+03 F= 0.62250351E+03 E0= 0.65089516E+03 EK= 0.51894E+02 SP= 0.74E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333552208177E+03 0.21327E+00 -0.11379E-01 7640 0.236E+01 0.246E-01 RMM: 2 -0.333573964276E+03 -0.21756E-01 -0.12043E-01 4823 0.829E-01 0.129E+00 RMM: 3 -0.333562240186E+03 0.11724E-01 -0.14538E-02 5475 0.261E-01 0.233E-01 RMM: 4 -0.333561817925E+03 0.42226E-03 -0.11674E-03 4836 0.717E-02 0.825E-02 RMM: 5 -0.333561786280E+03 0.31645E-04 -0.15259E-04 4031 0.302E-02 0.853E-02 RMM: 6 -0.333561741189E+03 0.45091E-04 -0.32748E-05 2759 0.171E-02 0.411E-02 RMM: 7 -0.333561740087E+03 0.11020E-05 -0.17659E-05 2503 0.131E-02 4935 T= 6403. E= 0.67555632E+03 F= 0.62270725E+03 E0= 0.65110496E+03 EK= 0.52142E+02 SP= 0.28E+00 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333313609621E+03 0.24813E+00 -0.12122E-01 7864 0.237E+01 0.196E-01 RMM: 2 -0.333329958891E+03 -0.16349E-01 -0.12395E-01 4809 0.839E-01 0.882E-01 RMM: 3 -0.333324301528E+03 0.56574E-02 -0.14454E-02 5778 0.236E-01 0.166E-01 RMM: 4 -0.333323972606E+03 0.32892E-03 -0.79158E-04 5041 0.605E-02 0.815E-02 RMM: 5 -0.333323949631E+03 0.22975E-04 -0.10732E-04 3805 0.279E-02 0.720E-02 RMM: 6 -0.333323919028E+03 0.30603E-04 -0.24860E-05 2572 0.151E-02 0.349E-02 RMM: 7 -0.333323922020E+03 -0.29916E-05 -0.14647E-05 2494 0.121E-02 4936 T= 6430. E= 0.67555903E+03 F= 0.62294507E+03 E0= 0.65135202E+03 EK= 0.52362E+02 SP= -.18E+00 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333078438532E+03 0.24548E+00 -0.12020E-01 7864 0.237E+01 0.187E-01 RMM: 2 -0.333093815932E+03 -0.15377E-01 -0.12832E-01 4764 0.854E-01 0.764E-01 RMM: 3 -0.333089580574E+03 0.42354E-02 -0.15113E-02 5908 0.233E-01 0.147E-01 RMM: 4 -0.333089277623E+03 0.30295E-03 -0.77007E-04 4856 0.625E-02 0.110E-01 RMM: 5 -0.333089213976E+03 0.63648E-04 -0.11354E-04 3813 0.282E-02 0.800E-02 RMM: 6 -0.333089174840E+03 0.39136E-04 -0.31178E-05 2679 0.170E-02 0.329E-02 RMM: 7 -0.333089174102E+03 0.73771E-06 -0.17684E-05 2496 0.132E-02 4937 T= 6458. E= 0.67556106E+03 F= 0.62317982E+03 E0= 0.65159919E+03 EK= 0.52588E+02 SP= -.64E+00 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332871036706E+03 0.21814E+00 -0.12231E-01 7856 0.238E+01 0.176E-01 RMM: 2 -0.332887516575E+03 -0.16480E-01 -0.13625E-01 4813 0.859E-01 0.783E-01 RMM: 3 -0.332882960692E+03 0.45559E-02 -0.15426E-02 5951 0.227E-01 0.155E-01 RMM: 4 -0.332882568297E+03 0.39239E-03 -0.70343E-04 5014 0.597E-02 0.801E-02 RMM: 5 -0.332882537900E+03 0.30397E-04 -0.98339E-05 3728 0.272E-02 0.667E-02 RMM: 6 -0.332882514905E+03 0.22995E-04 -0.25223E-05 2570 0.152E-02 0.395E-02 RMM: 7 -0.332882518037E+03 -0.31315E-05 -0.21632E-05 2525 0.141E-02 4938 T= 6489. E= 0.67556139E+03 F= 0.62338647E+03 E0= 0.65182220E+03 EK= 0.52844E+02 SP= -.11E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332698921532E+03 0.18359E+00 -0.12023E-01 8016 0.239E+01 0.167E-01 RMM: 2 -0.332712764421E+03 -0.13843E-01 -0.12044E-01 4873 0.801E-01 0.675E-01 RMM: 3 -0.332709300650E+03 0.34638E-02 -0.13153E-02 6013 0.209E-01 0.140E-01 RMM: 4 -0.332708992647E+03 0.30800E-03 -0.61116E-04 4789 0.575E-02 0.102E-01 RMM: 5 -0.332708933959E+03 0.58687E-04 -0.91871E-05 3599 0.262E-02 0.667E-02 RMM: 6 -0.332708910402E+03 0.23557E-04 -0.23963E-05 2560 0.150E-02 0.341E-02 RMM: 7 -0.332708910644E+03 -0.24182E-06 -0.13764E-05 2489 0.115E-02 4939 T= 6525. E= 0.67556032E+03 F= 0.62356008E+03 E0= 0.65201612E+03 EK= 0.53134E+02 SP= -.16E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332545828451E+03 0.16308E+00 -0.12310E-01 8192 0.240E+01 0.153E-01 RMM: 2 -0.332558787791E+03 -0.12959E-01 -0.11135E-01 4918 0.765E-01 0.663E-01 RMM: 3 -0.332555497412E+03 0.32904E-02 -0.12108E-02 6059 0.200E-01 0.145E-01 RMM: 4 -0.332555167479E+03 0.32993E-03 -0.51601E-04 4709 0.525E-02 0.786E-02 RMM: 5 -0.332555130287E+03 0.37192E-04 -0.73318E-05 3527 0.243E-02 0.602E-02 RMM: 6 -0.332555114438E+03 0.15849E-04 -0.21818E-05 2536 0.141E-02 4940 T= 6563. E= 0.67555841E+03 F= 0.62371387E+03 E0= 0.65219277E+03 EK= 0.53446E+02 SP= -.20E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332384269827E+03 0.17086E+00 -0.12283E-01 8040 0.241E+01 0.191E-01 RMM: 2 -0.332400660985E+03 -0.16391E-01 -0.10436E-01 5011 0.732E-01 0.103E+00 RMM: 3 -0.332393061757E+03 0.75992E-02 -0.11370E-02 5625 0.217E-01 0.178E-01 RMM: 4 -0.332392761045E+03 0.30071E-03 -0.77013E-04 4916 0.569E-02 0.772E-02 RMM: 5 -0.332392724081E+03 0.36964E-04 -0.87900E-05 3713 0.247E-02 0.635E-02 RMM: 6 -0.332392707392E+03 0.16690E-04 -0.20349E-05 2539 0.133E-02 4941 T= 6600. E= 0.67555612E+03 F= 0.62387628E+03 E0= 0.65238006E+03 EK= 0.53748E+02 SP= -.25E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332176561904E+03 0.21616E+00 -0.12201E-01 7904 0.243E+01 0.278E-01 RMM: 2 -0.332204703940E+03 -0.28142E-01 -0.11006E-01 4991 0.773E-01 0.165E+00 RMM: 3 -0.332185265339E+03 0.19439E-01 -0.13854E-02 5424 0.267E-01 0.262E-01 RMM: 4 -0.332184728270E+03 0.53707E-03 -0.13978E-03 4788 0.755E-02 0.773E-02 RMM: 5 -0.332184704688E+03 0.23582E-04 -0.15461E-04 4283 0.286E-02 0.773E-02 RMM: 6 -0.332184672668E+03 0.32020E-04 -0.24066E-05 2567 0.145E-02 0.524E-02 RMM: 7 -0.332184682041E+03 -0.93731E-05 -0.28347E-05 2644 0.165E-02 4942 T= 6632. E= 0.67555365E+03 F= 0.62408431E+03 E0= 0.65261372E+03 EK= 0.54003E+02 SP= -.30E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331885819954E+03 0.29885E+00 -0.12039E-01 7872 0.244E+01 0.250E-01 RMM: 2 -0.331905010494E+03 -0.19191E-01 -0.10555E-01 4996 0.742E-01 0.122E+00 RMM: 3 -0.331894389133E+03 0.10621E-01 -0.12274E-02 5459 0.240E-01 0.273E-01 RMM: 4 -0.331893875873E+03 0.51326E-03 -0.12963E-03 4739 0.778E-02 0.110E-01 RMM: 5 -0.331893908725E+03 -0.32852E-04 -0.20728E-04 3879 0.362E-02 0.132E-01 RMM: 6 -0.331893791990E+03 0.11674E-03 -0.60264E-05 3362 0.230E-02 0.323E-02 RMM: 7 -0.331893792353E+03 -0.36272E-06 -0.17085E-05 2516 0.126E-02 4943 T= 6652. E= 0.67555236E+03 F= 0.62437520E+03 E0= 0.65292924E+03 EK= 0.54174E+02 SP= -.34E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331484409017E+03 0.40938E+00 -0.12018E-01 7728 0.245E+01 0.192E-01 RMM: 2 -0.331500337220E+03 -0.15928E-01 -0.11233E-01 4970 0.753E-01 0.938E-01 RMM: 3 -0.331493946388E+03 0.63908E-02 -0.12252E-02 5732 0.217E-01 0.186E-01 RMM: 4 -0.331493594081E+03 0.35231E-03 -0.77289E-04 4873 0.585E-02 0.903E-02 RMM: 5 -0.331493542269E+03 0.51812E-04 -0.10376E-04 3737 0.266E-02 0.687E-02 RMM: 6 -0.331493513716E+03 0.28553E-04 -0.25271E-05 2602 0.151E-02 0.421E-02 RMM: 7 -0.331493511825E+03 0.18913E-05 -0.23362E-05 2559 0.139E-02 4944 T= 6659. E= 0.67555230E+03 F= 0.62477548E+03 E0= 0.65335126E+03 EK= 0.54231E+02 SP= -.38E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330964752849E+03 0.52876E+00 -0.13083E-01 7736 0.245E+01 0.176E-01 RMM: 2 -0.330982375505E+03 -0.17623E-01 -0.13867E-01 4757 0.854E-01 0.853E-01 RMM: 3 -0.330977068665E+03 0.53068E-02 -0.16412E-02 5983 0.229E-01 0.159E-01 RMM: 4 -0.330976630866E+03 0.43780E-03 -0.75131E-04 4869 0.616E-02 0.802E-02 RMM: 5 -0.330976601652E+03 0.29214E-04 -0.10214E-04 3771 0.276E-02 0.627E-02 RMM: 6 -0.330976579742E+03 0.21910E-04 -0.23515E-05 2560 0.145E-02 0.373E-02 RMM: 7 -0.330976583636E+03 -0.38936E-05 -0.15438E-05 2502 0.123E-02 4945 T= 6652. E= 0.67555348E+03 F= 0.62529241E+03 E0= 0.65388557E+03 EK= 0.54166E+02 SP= -.43E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330344390420E+03 0.63219E+00 -0.13026E-01 7688 0.245E+01 0.164E-01 RMM: 2 -0.330360731584E+03 -0.16341E-01 -0.14430E-01 4753 0.865E-01 0.681E-01 RMM: 3 -0.330357175730E+03 0.35559E-02 -0.16863E-02 6105 0.226E-01 0.130E-01 RMM: 4 -0.330356816763E+03 0.35897E-03 -0.70437E-04 4793 0.620E-02 0.120E-01 RMM: 5 -0.330356725564E+03 0.91199E-04 -0.10684E-04 3678 0.289E-02 0.642E-02 RMM: 6 -0.330356701754E+03 0.23810E-04 -0.26843E-05 2589 0.155E-02 0.323E-02 RMM: 7 -0.330356701154E+03 0.60030E-06 -0.15608E-05 2490 0.123E-02 4946 T= 6630. E= 0.67555672E+03 F= 0.62591229E+03 E0= 0.65451680E+03 EK= 0.53994E+02 SP= -.47E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329658116761E+03 0.69858E+00 -0.12211E-01 7752 0.244E+01 0.157E-01 RMM: 2 -0.329671581842E+03 -0.13465E-01 -0.10987E-01 4867 0.762E-01 0.726E-01 RMM: 3 -0.329667800271E+03 0.37816E-02 -0.12678E-02 6052 0.205E-01 0.133E-01 RMM: 4 -0.329667505750E+03 0.29452E-03 -0.52782E-04 4631 0.530E-02 0.912E-02 RMM: 5 -0.329667454035E+03 0.51716E-04 -0.74353E-05 3511 0.246E-02 0.604E-02 RMM: 6 -0.329667438025E+03 0.16010E-04 -0.22538E-05 2547 0.143E-02 4947 T= 6600. E= 0.67556103E+03 F= 0.62660155E+03 E0= 0.65521105E+03 EK= 0.53747E+02 SP= -.52E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328945422182E+03 0.72203E+00 -0.13228E-01 7552 0.243E+01 0.195E-01 RMM: 2 -0.328964576488E+03 -0.19154E-01 -0.13559E-01 4831 0.840E-01 0.100E+00 RMM: 3 -0.328957263573E+03 0.73129E-02 -0.15729E-02 5728 0.238E-01 0.167E-01 RMM: 4 -0.328956893655E+03 0.36992E-03 -0.88331E-04 5120 0.606E-02 0.827E-02 RMM: 5 -0.328956853001E+03 0.40653E-04 -0.99618E-05 3779 0.267E-02 0.669E-02 RMM: 6 -0.328956834639E+03 0.18362E-04 -0.22804E-05 2554 0.141E-02 4948 T= 6566. E= 0.67556596E+03 F= 0.62731215E+03 E0= 0.65592011E+03 EK= 0.53472E+02 SP= -.56E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328274374844E+03 0.68248E+00 -0.11651E-01 7568 0.242E+01 0.327E-01 RMM: 2 -0.328307443062E+03 -0.33068E-01 -0.97123E-02 4956 0.757E-01 0.191E+00 RMM: 3 -0.328281823962E+03 0.25619E-01 -0.15533E-02 5377 0.297E-01 0.281E-01 RMM: 4 -0.328281235702E+03 0.58826E-03 -0.17068E-03 4859 0.809E-02 0.830E-02 RMM: 5 -0.328281219643E+03 0.16059E-04 -0.16569E-04 3989 0.306E-02 4949 T= 6536. E= 0.67557119E+03 F= 0.62798777E+03 E0= 0.65658888E+03 EK= 0.53229E+02 SP= -.60E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327684242734E+03 0.59699E+00 -0.11545E-01 7736 0.241E+01 0.221E-01 RMM: 2 -0.327703718549E+03 -0.19476E-01 -0.92769E-02 5019 0.699E-01 0.128E+00 RMM: 3 -0.327692119929E+03 0.11599E-01 -0.10906E-02 5398 0.233E-01 0.261E-01 RMM: 4 -0.327691636097E+03 0.48383E-03 -0.11035E-03 4695 0.692E-02 0.869E-02 RMM: 5 -0.327691609096E+03 0.27000E-04 -0.13326E-04 4029 0.284E-02 0.788E-02 RMM: 6 -0.327691574183E+03 0.34913E-04 -0.25520E-05 2587 0.147E-02 0.525E-02 RMM: 7 -0.327691593386E+03 -0.19203E-04 -0.38049E-05 2949 0.178E-02 4950 T= 6516. E= 0.67557442E+03 F= 0.62857740E+03 E0= 0.65716665E+03 EK= 0.53066E+02 SP= -.64E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327211726164E+03 0.47985E+00 -0.11905E-01 7672 0.241E+01 0.235E-01 RMM: 2 -0.327227712288E+03 -0.15986E-01 -0.10363E-01 4749 0.774E-01 0.104E+00 RMM: 3 -0.327220299229E+03 0.74131E-02 -0.12548E-02 5639 0.226E-01 0.167E-01 RMM: 4 -0.327220188102E+03 0.11113E-03 -0.98585E-04 4702 0.699E-02 0.173E-01 RMM: 5 -0.327220068208E+03 0.11989E-03 -0.18351E-04 3873 0.338E-02 0.112E-01 RMM: 6 -0.327219984181E+03 0.84027E-04 -0.59462E-05 3343 0.227E-02 0.261E-02 RMM: 7 -0.327219990471E+03 -0.62897E-05 -0.16378E-05 2517 0.126E-02 4951 T= 6511. E= 0.67557542E+03 F= 0.62904900E+03 E0= 0.65762432E+03 EK= 0.53018E+02 SP= -.68E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326862688470E+03 0.35730E+00 -0.11322E-01 7840 0.241E+01 0.158E-01 RMM: 2 -0.326876609631E+03 -0.13921E-01 -0.11060E-01 4851 0.784E-01 0.765E-01 RMM: 3 -0.326872461251E+03 0.41484E-02 -0.12870E-02 5977 0.207E-01 0.151E-01 RMM: 4 -0.326872130017E+03 0.33123E-03 -0.58255E-04 4704 0.561E-02 0.844E-02 RMM: 5 -0.326872070549E+03 0.59468E-04 -0.88142E-05 3702 0.255E-02 0.601E-02 RMM: 6 -0.326872053170E+03 0.17379E-04 -0.23288E-05 2539 0.142E-02 4952 T= 6520. E= 0.67557498E+03 F= 0.62939694E+03 E0= 0.65795733E+03 EK= 0.53092E+02 SP= -.73E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326614269494E+03 0.25780E+00 -0.12041E-01 7568 0.242E+01 0.197E-01 RMM: 2 -0.326635105420E+03 -0.20836E-01 -0.14255E-01 4746 0.880E-01 0.107E+00 RMM: 3 -0.326626862056E+03 0.82434E-02 -0.16918E-02 5737 0.245E-01 0.180E-01 RMM: 4 -0.326626447769E+03 0.41429E-03 -0.96441E-04 5019 0.651E-02 0.835E-02 RMM: 5 -0.326626409934E+03 0.37835E-04 -0.12576E-04 4100 0.289E-02 0.719E-02 RMM: 6 -0.326626383165E+03 0.26769E-04 -0.31947E-05 2671 0.164E-02 0.579E-02 RMM: 7 -0.326626412991E+03 -0.29826E-04 -0.73155E-05 3661 0.228E-02 0.958E-02 RMM: 8 -0.326626348468E+03 0.64523E-04 -0.55652E-05 3312 0.199E-02 0.320E-02 RMM: 9 -0.326626344896E+03 0.35718E-05 -0.13550E-05 2486 0.108E-02 4953 T= 6541. E= 0.67557226E+03 F= 0.62964264E+03 E0= 0.65818909E+03 EK= 0.53265E+02 SP= -.77E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326430177487E+03 0.19617E+00 -0.11316E-01 7536 0.244E+01 0.240E-01 RMM: 2 -0.326446963877E+03 -0.16786E-01 -0.11770E-01 4819 0.814E-01 0.102E+00 RMM: 3 -0.326439763756E+03 0.72001E-02 -0.13848E-02 5656 0.234E-01 0.192E-01 RMM: 4 -0.326439611927E+03 0.15183E-03 -0.12188E-03 4803 0.809E-02 0.196E-01 RMM: 5 -0.326439440903E+03 0.17102E-03 -0.24774E-04 3903 0.394E-02 0.127E-01 RMM: 6 -0.326439332352E+03 0.10855E-03 -0.70764E-05 3463 0.245E-02 0.310E-02 RMM: 7 -0.326439338992E+03 -0.66397E-05 -0.22410E-05 2550 0.143E-02 4954 T= 6569. E= 0.67556893E+03 F= 0.62982965E+03 E0= 0.65836349E+03 EK= 0.53497E+02 SP= -.81E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326247980011E+03 0.19135E+00 -0.11596E-01 7936 0.245E+01 0.192E-01 RMM: 2 -0.326262743689E+03 -0.14764E-01 -0.10456E-01 5036 0.762E-01 0.925E-01 RMM: 3 -0.326256873701E+03 0.58700E-02 -0.11702E-02 5788 0.209E-01 0.192E-01 RMM: 4 -0.326256488298E+03 0.38540E-03 -0.69782E-04 4828 0.578E-02 0.750E-02 RMM: 5 -0.326256445692E+03 0.42606E-04 -0.88367E-05 3795 0.238E-02 0.619E-02 RMM: 6 -0.326256430911E+03 0.14781E-04 -0.20589E-05 2537 0.136E-02 4955 T= 6598. E= 0.67556616E+03 F= 0.63001256E+03 E0= 0.65853541E+03 EK= 0.53733E+02 SP= -.85E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326017450793E+03 0.23899E+00 -0.11300E-01 7840 0.246E+01 0.216E-01 RMM: 2 -0.326034620121E+03 -0.17169E-01 -0.93777E-02 5059 0.715E-01 0.115E+00 RMM: 3 -0.326025170024E+03 0.94501E-02 -0.10668E-02 5498 0.223E-01 0.183E-01 RMM: 4 -0.326024928308E+03 0.24172E-03 -0.89309E-04 5032 0.569E-02 0.834E-02 RMM: 5 -0.326024870446E+03 0.57862E-04 -0.77901E-05 3698 0.237E-02 0.649E-02 RMM: 6 -0.326024859137E+03 0.11309E-04 -0.20734E-05 2534 0.135E-02 4956 T= 6621. E= 0.67556448E+03 F= 0.63024413E+03 E0= 0.65875814E+03 EK= 0.53919E+02 SP= -.89E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325698862332E+03 0.32601E+00 -0.11114E-01 7712 0.247E+01 0.366E-01 RMM: 2 -0.325732600814E+03 -0.33738E-01 -0.10563E-01 5101 0.798E-01 0.196E+00 RMM: 3 -0.325706651649E+03 0.25949E-01 -0.16611E-02 5361 0.314E-01 0.377E-01 RMM: 4 -0.325705592533E+03 0.10591E-02 -0.19585E-03 4920 0.922E-02 0.801E-02 RMM: 5 -0.325705601374E+03 -0.88414E-05 -0.22209E-04 3978 0.327E-02 0.110E-01 RMM: 6 -0.325705522877E+03 0.78496E-04 -0.39599E-05 3012 0.191E-02 0.400E-02 RMM: 7 -0.325705522289E+03 0.58846E-06 -0.17212E-05 2515 0.125E-02 4957 T= 6633. E= 0.67556425E+03 F= 0.63056347E+03 E0= 0.65906957E+03 EK= 0.54015E+02 SP= -.93E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325272891183E+03 0.43263E+00 -0.12192E-01 7696 0.247E+01 0.323E-01 RMM: 2 -0.325303046067E+03 -0.30155E-01 -0.11184E-01 5060 0.793E-01 0.176E+00 RMM: 3 -0.325281794348E+03 0.21252E-01 -0.15465E-02 5396 0.288E-01 0.335E-01 RMM: 4 -0.325281034089E+03 0.76026E-03 -0.17869E-03 4855 0.885E-02 0.108E-01 RMM: 5 -0.325281046505E+03 -0.12415E-04 -0.22987E-04 3914 0.350E-02 0.130E-01 RMM: 6 -0.325280931486E+03 0.11502E-03 -0.58993E-05 3322 0.226E-02 0.374E-02 RMM: 7 -0.325280930816E+03 0.67014E-06 -0.19192E-05 2521 0.131E-02 4958 T= 6631. E= 0.67556542E+03 F= 0.63098806E+03 E0= 0.65948680E+03 EK= 0.54003E+02 SP= -.97E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324748517962E+03 0.53241E+00 -0.12494E-01 7880 0.247E+01 0.254E-01 RMM: 2 -0.324769948466E+03 -0.21431E-01 -0.11490E-01 5004 0.801E-01 0.131E+00 RMM: 3 -0.324757951458E+03 0.11997E-01 -0.13678E-02 5480 0.252E-01 0.248E-01 RMM: 4 -0.324757503281E+03 0.44818E-03 -0.11891E-03 4853 0.708E-02 0.859E-02 RMM: 5 -0.324757477619E+03 0.25662E-04 -0.15067E-04 3902 0.311E-02 0.884E-02 RMM: 6 -0.324757425801E+03 0.51818E-04 -0.33317E-05 2899 0.174E-02 0.399E-02 RMM: 7 -0.324757423900E+03 0.19009E-05 -0.15318E-05 2499 0.123E-02 4959 T= 6617. E= 0.67556804E+03 F= 0.63151157E+03 E0= 0.66000386E+03 EK= 0.53887E+02 SP= -.10E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324155440300E+03 0.60199E+00 -0.12669E-01 7864 0.246E+01 0.209E-01 RMM: 2 -0.324172609086E+03 -0.17169E-01 -0.11694E-01 4966 0.803E-01 0.995E-01 RMM: 3 -0.324165415277E+03 0.71938E-02 -0.13247E-02 5644 0.231E-01 0.195E-01 RMM: 4 -0.324165059592E+03 0.35569E-03 -0.86957E-04 4809 0.632E-02 0.926E-02 RMM: 5 -0.324165016611E+03 0.42981E-04 -0.11573E-04 3821 0.283E-02 0.757E-02 RMM: 6 -0.324164981121E+03 0.35489E-04 -0.27226E-05 2643 0.159E-02 0.390E-02 RMM: 7 -0.324164979396E+03 0.17252E-05 -0.16506E-05 2499 0.126E-02 4960 T= 6594. E= 0.67557190E+03 F= 0.63210401E+03 E0= 0.66058974E+03 EK= 0.53698E+02 SP= -.11E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323545891422E+03 0.61909E+00 -0.12379E-01 7712 0.245E+01 0.191E-01 RMM: 2 -0.323561091396E+03 -0.15200E-01 -0.11976E-01 4868 0.819E-01 0.825E-01 RMM: 3 -0.323556237001E+03 0.48544E-02 -0.13948E-02 5809 0.229E-01 0.156E-01 RMM: 4 -0.323555955125E+03 0.28188E-03 -0.73999E-04 4848 0.601E-02 0.107E-01 RMM: 5 -0.323555886973E+03 0.68152E-04 -0.10538E-04 3711 0.284E-02 0.697E-02 RMM: 6 -0.323555858263E+03 0.28710E-04 -0.27886E-05 2624 0.159E-02 0.398E-02 RMM: 7 -0.323555855196E+03 0.30670E-05 -0.22413E-05 2523 0.148E-02 4961 T= 6568. E= 0.67557682E+03 F= 0.63271313E+03 E0= 0.66119278E+03 EK= 0.53488E+02 SP= -.11E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322989836897E+03 0.56602E+00 -0.12223E-01 7696 0.244E+01 0.190E-01 RMM: 2 -0.323003638267E+03 -0.13801E-01 -0.10179E-01 4944 0.756E-01 0.844E-01 RMM: 3 -0.322998462752E+03 0.51755E-02 -0.11507E-02 5786 0.214E-01 0.175E-01 RMM: 4 -0.322998190261E+03 0.27249E-03 -0.68179E-04 4714 0.586E-02 0.106E-01 RMM: 5 -0.322998124364E+03 0.65897E-04 -0.10255E-04 3673 0.279E-02 0.728E-02 RMM: 6 -0.322998094492E+03 0.29872E-04 -0.28719E-05 2709 0.165E-02 0.412E-02 RMM: 7 -0.322998092867E+03 0.16250E-05 -0.23743E-05 2534 0.151E-02 4962 T= 6548. E= 0.67558158E+03 F= 0.63327090E+03 E0= 0.66174378E+03 EK= 0.53325E+02 SP= -.11E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322551219769E+03 0.44687E+00 -0.13262E-01 7688 0.243E+01 0.194E-01 RMM: 2 -0.322567174658E+03 -0.15955E-01 -0.12118E-01 4769 0.842E-01 0.868E-01 RMM: 3 -0.322561845473E+03 0.53292E-02 -0.14728E-02 5838 0.236E-01 0.182E-01 RMM: 4 -0.322561475914E+03 0.36956E-03 -0.78133E-04 4736 0.644E-02 0.942E-02 RMM: 5 -0.322561421727E+03 0.54188E-04 -0.11082E-04 3761 0.283E-02 0.661E-02 RMM: 6 -0.322561398729E+03 0.22998E-04 -0.26690E-05 2586 0.157E-02 0.397E-02 RMM: 7 -0.322561399287E+03 -0.55831E-06 -0.18245E-05 2501 0.136E-02 4963 T= 6543. E= 0.67558602E+03 F= 0.63370759E+03 E0= 0.66217213E+03 EK= 0.53281E+02 SP= -.12E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322301878463E+03 0.25952E+00 -0.12731E-01 7632 0.243E+01 0.188E-01 RMM: 2 -0.322316084676E+03 -0.14206E-01 -0.10650E-01 4867 0.786E-01 0.847E-01 RMM: 3 -0.322311000671E+03 0.50840E-02 -0.12396E-02 5794 0.220E-01 0.179E-01 RMM: 4 -0.322310683742E+03 0.31693E-03 -0.69407E-04 4724 0.601E-02 0.981E-02 RMM: 5 -0.322310632747E+03 0.50994E-04 -0.10746E-04 3706 0.287E-02 0.720E-02 RMM: 6 -0.322310602360E+03 0.30388E-04 -0.29288E-05 2722 0.167E-02 0.391E-02 RMM: 7 -0.322310600585E+03 0.17742E-05 -0.22782E-05 2512 0.151E-02 4964 T= 6560. E= 0.67558887E+03 F= 0.63395839E+03 E0= 0.66241278E+03 EK= 0.53419E+02 SP= -.12E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322282437696E+03 0.28165E-01 -0.12823E-01 7672 0.243E+01 0.189E-01 RMM: 2 -0.322296490598E+03 -0.14053E-01 -0.10225E-01 4915 0.772E-01 0.864E-01 RMM: 3 -0.322291179252E+03 0.53113E-02 -0.11902E-02 5805 0.216E-01 0.164E-01 RMM: 4 -0.322290914366E+03 0.26489E-03 -0.67282E-04 4661 0.596E-02 0.102E-01 RMM: 5 -0.322290849218E+03 0.65149E-04 -0.10027E-04 3644 0.271E-02 0.659E-02 RMM: 6 -0.322290825892E+03 0.23325E-04 -0.26159E-05 2601 0.158E-02 0.377E-02 RMM: 7 -0.322290825942E+03 -0.49538E-07 -0.18500E-05 2502 0.133E-02 4965 T= 6605. E= 0.67558919E+03 F= 0.63397816E+03 E0= 0.66241996E+03 EK= 0.53786E+02 SP= -.12E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322505181926E+03 -0.21436E+00 -0.12640E-01 7680 0.245E+01 0.191E-01 RMM: 2 -0.322519620623E+03 -0.14439E-01 -0.10937E-01 4918 0.790E-01 0.855E-01 RMM: 3 -0.322514376254E+03 0.52444E-02 -0.12115E-02 5858 0.220E-01 0.189E-01 RMM: 4 -0.322514028080E+03 0.34817E-03 -0.68965E-04 4740 0.597E-02 0.934E-02 RMM: 5 -0.322513976409E+03 0.51671E-04 -0.10598E-04 3703 0.282E-02 0.691E-02 RMM: 6 -0.322513949906E+03 0.26503E-04 -0.27671E-05 2665 0.161E-02 0.432E-02 RMM: 7 -0.322513948061E+03 0.18443E-05 -0.23036E-05 2525 0.147E-02 4966 T= 6679. E= 0.67558677E+03 F= 0.63375504E+03 E0= 0.66218292E+03 EK= 0.54392E+02 SP= -.13E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322947152157E+03 -0.43320E+00 -0.12951E-01 7824 0.247E+01 0.173E-01 RMM: 2 -0.322961504227E+03 -0.14352E-01 -0.11816E-01 4926 0.809E-01 0.748E-01 RMM: 3 -0.322957312868E+03 0.41914E-02 -0.13157E-02 5963 0.219E-01 0.145E-01 RMM: 4 -0.322957056440E+03 0.25643E-03 -0.61628E-04 4725 0.575E-02 0.113E-01 RMM: 5 -0.322956968791E+03 0.87649E-04 -0.93510E-05 3602 0.270E-02 0.639E-02 RMM: 6 -0.322956951168E+03 0.17623E-04 -0.24978E-05 2557 0.151E-02 4967 T= 6780. E= 0.67558250E+03 F= 0.63331204E+03 E0= 0.66172565E+03 EK= 0.55214E+02 SP= -.13E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323558567041E+03 -0.60160E+00 -0.13298E-01 7816 0.250E+01 0.229E-01 RMM: 2 -0.323578720008E+03 -0.20153E-01 -0.13326E-01 4942 0.860E-01 0.111E+00 RMM: 3 -0.323569875512E+03 0.88445E-02 -0.15287E-02 5712 0.255E-01 0.236E-01 RMM: 4 -0.323569391533E+03 0.48398E-03 -0.10285E-03 4966 0.671E-02 0.914E-02 RMM: 5 -0.323569336549E+03 0.54984E-04 -0.12522E-04 3932 0.281E-02 0.786E-02 RMM: 6 -0.323569312006E+03 0.24543E-04 -0.25051E-05 2581 0.149E-02 0.657E-02 RMM: 7 -0.323569313249E+03 -0.12435E-05 -0.33079E-05 2675 0.172E-02 4968 T= 6901. E= 0.67557675E+03 F= 0.63269968E+03 E0= 0.66110142E+03 EK= 0.56199E+02 SP= -.14E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324276127081E+03 -0.70682E+00 -0.13532E-01 7920 0.253E+01 0.259E-01 RMM: 2 -0.324299823897E+03 -0.23697E-01 -0.14614E-01 4903 0.914E-01 0.129E+00 RMM: 3 -0.324288437450E+03 0.11386E-01 -0.17244E-02 5729 0.266E-01 0.230E-01 RMM: 4 -0.324287982805E+03 0.45465E-03 -0.13235E-03 4845 0.807E-02 0.134E-01 RMM: 5 -0.324287897766E+03 0.85039E-04 -0.18931E-04 3891 0.339E-02 0.940E-02 RMM: 6 -0.324287843015E+03 0.54751E-04 -0.39288E-05 3015 0.187E-02 0.387E-02 RMM: 7 -0.324287846509E+03 -0.34933E-05 -0.21568E-05 2538 0.142E-02 4969 T= 7034. E= 0.67557142E+03 F= 0.63198114E+03 E0= 0.66037614E+03 EK= 0.57281E+02 SP= -.14E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325039103720E+03 -0.75126E+00 -0.14050E-01 7808 0.255E+01 0.239E-01 RMM: 2 -0.325063642978E+03 -0.24539E-01 -0.17340E-01 4929 0.969E-01 0.116E+00 RMM: 3 -0.325054183373E+03 0.94596E-02 -0.20172E-02 5858 0.271E-01 0.210E-01 RMM: 4 -0.325053645078E+03 0.53830E-03 -0.11173E-03 4993 0.727E-02 0.116E-01 RMM: 5 -0.325053554086E+03 0.90992E-04 -0.15846E-04 4009 0.308E-02 0.837E-02 RMM: 6 -0.325053518961E+03 0.35125E-04 -0.34312E-05 2859 0.172E-02 0.623E-02 RMM: 7 -0.325053510637E+03 0.83241E-05 -0.34498E-05 2631 0.172E-02 4970 T= 7171. E= 0.67556729E+03 F= 0.63121548E+03 E0= 0.65961064E+03 EK= 0.58396E+02 SP= -.14E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325806957807E+03 -0.75344E+00 -0.14302E-01 8048 0.257E+01 0.232E-01 RMM: 2 -0.325829700692E+03 -0.22743E-01 -0.17755E-01 4949 0.972E-01 0.102E+00 RMM: 3 -0.325822336198E+03 0.73645E-02 -0.19993E-02 5916 0.265E-01 0.192E-01 RMM: 4 -0.325821832314E+03 0.50388E-03 -0.10818E-03 5124 0.694E-02 0.106E-01 RMM: 5 -0.325821763273E+03 0.69041E-04 -0.13622E-04 3939 0.299E-02 0.769E-02 RMM: 6 -0.325821733942E+03 0.29331E-04 -0.29418E-05 2714 0.163E-02 0.499E-02 RMM: 7 -0.325821735380E+03 -0.14379E-05 -0.31235E-05 2620 0.168E-02 4971 T= 7306. E= 0.67556432E+03 F= 0.63044725E+03 E0= 0.65885124E+03 EK= 0.59493E+02 SP= -.15E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326543831947E+03 -0.72210E+00 -0.16471E-01 7832 0.258E+01 0.221E-01 RMM: 2 -0.326571126522E+03 -0.27295E-01 -0.23251E-01 4765 0.114E+00 0.926E-01 RMM: 3 -0.326564646274E+03 0.64802E-02 -0.26637E-02 6076 0.291E-01 0.188E-01 RMM: 4 -0.326564012346E+03 0.63393E-03 -0.11833E-03 5064 0.822E-02 0.141E-01 RMM: 5 -0.326563891914E+03 0.12043E-03 -0.17156E-04 3927 0.327E-02 0.841E-02 RMM: 6 -0.326563851027E+03 0.40888E-04 -0.38605E-05 3004 0.183E-02 0.460E-02 RMM: 7 -0.326563847044E+03 0.39822E-05 -0.31091E-05 2593 0.166E-02 4972 T= 7434. E= 0.67556252E+03 F= 0.62970514E+03 E0= 0.65812696E+03 EK= 0.60536E+02 SP= -.15E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327247387111E+03 -0.68354E+00 -0.14717E-01 7984 0.259E+01 0.217E-01 RMM: 2 -0.327268636057E+03 -0.21249E-01 -0.17511E-01 5010 0.958E-01 0.910E-01 RMM: 3 -0.327262502359E+03 0.61337E-02 -0.18527E-02 6082 0.256E-01 0.193E-01 RMM: 4 -0.327262011580E+03 0.49078E-03 -0.90748E-04 4945 0.674E-02 0.111E-01 RMM: 5 -0.327261933927E+03 0.77653E-04 -0.12789E-04 3934 0.291E-02 0.806E-02 RMM: 6 -0.327261903197E+03 0.30730E-04 -0.31190E-05 2760 0.169E-02 0.532E-02 RMM: 7 -0.327261903116E+03 0.80538E-07 -0.41630E-05 2832 0.188E-02 4973 T= 7552. E= 0.67556127E+03 F= 0.62900709E+03 E0= 0.65745455E+03 EK= 0.61500E+02 SP= -.15E+02 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327886262889E+03 -0.62436E+00 -0.16709E-01 7944 0.259E+01 0.207E-01 RMM: 2 -0.327911028143E+03 -0.24765E-01 -0.21899E-01 4915 0.107E+00 0.805E-01 RMM: 3 -0.327905586554E+03 0.54416E-02 -0.23403E-02 6132 0.273E-01 0.171E-01 RMM: 4 -0.327905054667E+03 0.53189E-03 -0.10148E-03 4978 0.751E-02 0.131E-01 RMM: 5 -0.327904949447E+03 0.10522E-03 -0.14515E-04 3951 0.305E-02 0.771E-02 RMM: 6 -0.327904920002E+03 0.29444E-04 -0.30502E-05 2742 0.167E-02 0.448E-02 RMM: 7 -0.327904924306E+03 -0.43041E-05 -0.29027E-05 2609 0.159E-02 4974 T= 7658. E= 0.67556002E+03 F= 0.62836406E+03 E0= 0.65684316E+03 EK= 0.62365E+02 SP= -.15E+02 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328468775479E+03 -0.56386E+00 -0.16010E-01 8184 0.259E+01 0.205E-01 RMM: 2 -0.328490948147E+03 -0.22173E-01 -0.19112E-01 5056 0.976E-01 0.836E-01 RMM: 3 -0.328485147042E+03 0.58011E-02 -0.19008E-02 6135 0.256E-01 0.174E-01 RMM: 4 -0.328484705993E+03 0.44105E-03 -0.89956E-04 4832 0.691E-02 0.132E-01 RMM: 5 -0.328484597975E+03 0.10802E-03 -0.13819E-04 3861 0.310E-02 0.814E-02 RMM: 6 -0.328484565815E+03 0.32160E-04 -0.34776E-05 2902 0.177E-02 0.529E-02 RMM: 7 -0.328484562218E+03 0.35969E-05 -0.44448E-05 2828 0.193E-02 4975 T= 7751. E= 0.67555817E+03 F= 0.62778443E+03 E0= 0.65629767E+03 EK= 0.63117E+02 SP= -.15E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328973706171E+03 -0.48914E+00 -0.15753E-01 8376 0.258E+01 0.196E-01 RMM: 2 -0.328994979643E+03 -0.21273E-01 -0.17979E-01 5097 0.927E-01 0.828E-01 RMM: 3 -0.328988853259E+03 0.61264E-02 -0.17022E-02 6040 0.253E-01 0.177E-01 RMM: 4 -0.328988475360E+03 0.37790E-03 -0.86804E-04 4792 0.671E-02 0.115E-01 RMM: 5 -0.328988388361E+03 0.87000E-04 -0.12792E-04 3835 0.297E-02 0.732E-02 RMM: 6 -0.328988368616E+03 0.19744E-04 -0.29669E-05 2664 0.163E-02 4976 T= 7827. E= 0.67555613E+03 F= 0.62728062E+03 E0= 0.65582731E+03 EK= 0.63737E+02 SP= -.15E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329377660830E+03 -0.38927E+00 -0.15993E-01 8544 0.258E+01 0.243E-01 RMM: 2 -0.329406353652E+03 -0.28693E-01 -0.18531E-01 5131 0.929E-01 0.131E+00 RMM: 3 -0.329393003691E+03 0.13350E-01 -0.17959E-02 5573 0.282E-01 0.209E-01 RMM: 4 -0.329392644273E+03 0.35942E-03 -0.13539E-03 5131 0.734E-02 0.109E-01 RMM: 5 -0.329392564729E+03 0.79544E-04 -0.14081E-04 4159 0.306E-02 0.836E-02 RMM: 6 -0.329392541140E+03 0.23589E-04 -0.31445E-05 2622 0.167E-02 0.684E-02 RMM: 7 -0.329392559378E+03 -0.18238E-04 -0.62899E-05 3432 0.214E-02 4977 T= 7883. E= 0.67555330E+03 F= 0.62687643E+03 E0= 0.65545290E+03 EK= 0.64197E+02 SP= -.16E+02 SK= 0.96E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329646037151E+03 -0.25350E+00 -0.16168E-01 8440 0.258E+01 0.275E-01 RMM: 2 -0.329675973046E+03 -0.29936E-01 -0.18255E-01 5095 0.933E-01 0.141E+00 RMM: 3 -0.329660784020E+03 0.15189E-01 -0.17489E-02 5682 0.280E-01 0.253E-01 RMM: 4 -0.329660273910E+03 0.51011E-03 -0.15582E-03 4926 0.874E-02 0.141E-01 RMM: 5 -0.329660229801E+03 0.44109E-04 -0.23096E-04 3909 0.383E-02 0.121E-01 RMM: 6 -0.329660132860E+03 0.96941E-04 -0.60709E-05 3339 0.228E-02 0.408E-02 RMM: 7 -0.329660139673E+03 -0.68128E-05 -0.24428E-05 2574 0.151E-02 4978 T= 7915. E= 0.67555010E+03 F= 0.62660885E+03 E0= 0.65520920E+03 EK= 0.64455E+02 SP= -.16E+02 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329733878045E+03 -0.73745E-01 -0.16553E-01 8760 0.258E+01 0.225E-01 RMM: 2 -0.329759821852E+03 -0.25944E-01 -0.18570E-01 5261 0.907E-01 0.113E+00 RMM: 3 -0.329748987003E+03 0.10835E-01 -0.15963E-02 5750 0.261E-01 0.204E-01 RMM: 4 -0.329748641901E+03 0.34510E-03 -0.11224E-03 4839 0.719E-02 0.119E-01 RMM: 5 -0.329748551878E+03 0.90024E-04 -0.15543E-04 3971 0.312E-02 0.845E-02 RMM: 6 -0.329748520291E+03 0.31587E-04 -0.33803E-05 2767 0.174E-02 0.587E-02 RMM: 7 -0.329748527702E+03 -0.74106E-05 -0.37806E-05 2711 0.177E-02 4979 T= 7917. E= 0.67554651E+03 F= 0.62652046E+03 E0= 0.65513505E+03 EK= 0.64468E+02 SP= -.15E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329602027231E+03 0.14649E+00 -0.17250E-01 8688 0.258E+01 0.198E-01 RMM: 2 -0.329626164197E+03 -0.24137E-01 -0.19739E-01 5210 0.949E-01 0.920E-01 RMM: 3 -0.329618584393E+03 0.75798E-02 -0.16289E-02 6001 0.255E-01 0.204E-01 RMM: 4 -0.329618148068E+03 0.43632E-03 -0.91824E-04 4773 0.689E-02 0.104E-01 RMM: 5 -0.329618090657E+03 0.57411E-04 -0.12531E-04 3793 0.305E-02 0.768E-02 RMM: 6 -0.329618065660E+03 0.24998E-04 -0.31213E-05 2719 0.169E-02 0.511E-02 RMM: 7 -0.329618075364E+03 -0.97041E-05 -0.30527E-05 2636 0.167E-02 4980 T= 7883. E= 0.67554411E+03 F= 0.62665091E+03 E0= 0.65527107E+03 EK= 0.64198E+02 SP= -.15E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329232934920E+03 0.38513E+00 -0.18097E-01 8608 0.258E+01 0.212E-01 RMM: 2 -0.329258014442E+03 -0.25080E-01 -0.20701E-01 5234 0.972E-01 0.935E-01 RMM: 3 -0.329250382942E+03 0.76315E-02 -0.17493E-02 6172 0.255E-01 0.191E-01 RMM: 4 -0.329249949537E+03 0.43340E-03 -0.92933E-04 4761 0.710E-02 0.133E-01 RMM: 5 -0.329249844731E+03 0.10481E-03 -0.14427E-04 3828 0.324E-02 0.811E-02 RMM: 6 -0.329249812924E+03 0.31807E-04 -0.32055E-05 2759 0.170E-02 0.512E-02 RMM: 7 -0.329249816483E+03 -0.35593E-05 -0.32841E-05 2631 0.168E-02 4981 T= 7814. E= 0.67554475E+03 F= 0.62701917E+03 E0= 0.65563485E+03 EK= 0.63630E+02 SP= -.15E+02 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328646609501E+03 0.60320E+00 -0.18435E-01 8624 0.258E+01 0.217E-01 RMM: 2 -0.328670885264E+03 -0.24276E-01 -0.19558E-01 5444 0.935E-01 0.963E-01 RMM: 3 -0.328662842685E+03 0.80426E-02 -0.13920E-02 6095 0.242E-01 0.205E-01 RMM: 4 -0.328662465210E+03 0.37747E-03 -0.83702E-04 4766 0.640E-02 0.112E-01 RMM: 5 -0.328662393358E+03 0.71852E-04 -0.12038E-04 3775 0.291E-02 0.813E-02 RMM: 6 -0.328662366420E+03 0.26938E-04 -0.34068E-05 2878 0.176E-02 0.597E-02 RMM: 7 -0.328662378195E+03 -0.11775E-04 -0.51239E-05 3139 0.196E-02 4982 T= 7710. E= 0.67554933E+03 F= 0.62760661E+03 E0= 0.65621110E+03 EK= 0.62789E+02 SP= -.15E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327907679969E+03 0.75469E+00 -0.18432E-01 8640 0.256E+01 0.261E-01 RMM: 2 -0.327935966199E+03 -0.28286E-01 -0.20347E-01 5212 0.973E-01 0.119E+00 RMM: 3 -0.327924706118E+03 0.11260E-01 -0.17793E-02 5988 0.268E-01 0.256E-01 RMM: 4 -0.327924089285E+03 0.61683E-03 -0.11876E-03 4781 0.767E-02 0.117E-01 RMM: 5 -0.327924029544E+03 0.59741E-04 -0.17526E-04 3922 0.334E-02 0.934E-02 RMM: 6 -0.327923980075E+03 0.49469E-04 -0.40295E-05 3019 0.189E-02 0.497E-02 RMM: 7 -0.327923988544E+03 -0.84696E-05 -0.29263E-05 2598 0.163E-02 4983 T= 7583. E= 0.67555784E+03 F= 0.62834500E+03 E0= 0.65693325E+03 EK= 0.61751E+02 SP= -.15E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327137037961E+03 0.78694E+00 -0.17887E-01 8848 0.255E+01 0.266E-01 RMM: 2 -0.327163978349E+03 -0.26940E-01 -0.18342E-01 5462 0.906E-01 0.124E+00 RMM: 3 -0.327151859833E+03 0.12119E-01 -0.14317E-02 5828 0.251E-01 0.272E-01 RMM: 4 -0.327151284895E+03 0.57494E-03 -0.11995E-03 4784 0.738E-02 0.108E-01 RMM: 5 -0.327151231129E+03 0.53766E-04 -0.17194E-04 3916 0.321E-02 0.979E-02 RMM: 6 -0.327151177282E+03 0.53847E-04 -0.41502E-05 3050 0.191E-02 0.545E-02 RMM: 7 -0.327151183284E+03 -0.60013E-05 -0.31765E-05 2662 0.168E-02 4984 T= 7446. E= 0.67556799E+03 F= 0.62911781E+03 E0= 0.65768786E+03 EK= 0.60637E+02 SP= -.14E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326465308470E+03 0.68587E+00 -0.17627E-01 8624 0.253E+01 0.292E-01 RMM: 2 -0.326497099141E+03 -0.31791E-01 -0.18584E-01 5213 0.940E-01 0.146E+00 RMM: 3 -0.326480682263E+03 0.16417E-01 -0.17217E-02 5598 0.283E-01 0.316E-01 RMM: 4 -0.326479912208E+03 0.77005E-03 -0.15909E-03 4901 0.838E-02 0.104E-01 RMM: 5 -0.326479883451E+03 0.28757E-04 -0.21746E-04 3937 0.360E-02 0.102E-01 RMM: 6 -0.326479818728E+03 0.64723E-04 -0.44864E-05 3081 0.193E-02 0.539E-02 RMM: 7 -0.326479825749E+03 -0.70208E-05 -0.29011E-05 2591 0.167E-02 4985 T= 7317. E= 0.67557684E+03 F= 0.62978916E+03 E0= 0.65834189E+03 EK= 0.59588E+02 SP= -.14E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326010581348E+03 0.46924E+00 -0.16243E-01 8776 0.252E+01 0.261E-01 RMM: 2 -0.326035754472E+03 -0.25173E-01 -0.15349E-01 5468 0.834E-01 0.131E+00 RMM: 3 -0.326022826198E+03 0.12928E-01 -0.12387E-02 5501 0.246E-01 0.245E-01 RMM: 4 -0.326022439768E+03 0.38643E-03 -0.12348E-03 4883 0.704E-02 0.105E-01 RMM: 5 -0.326022386839E+03 0.52929E-04 -0.15566E-04 3876 0.313E-02 0.964E-02 RMM: 6 -0.326022332742E+03 0.54097E-04 -0.39476E-05 3015 0.187E-02 0.493E-02 RMM: 7 -0.326022341263E+03 -0.85206E-05 -0.29899E-05 2630 0.166E-02 4986 T= 7211. E= 0.67558146E+03 F= 0.63024665E+03 E0= 0.65878505E+03 EK= 0.58720E+02 SP= -.14E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325817122430E+03 0.20521E+00 -0.15690E-01 8528 0.251E+01 0.213E-01 RMM: 2 -0.325838985369E+03 -0.21863E-01 -0.14125E-01 5513 0.790E-01 0.114E+00 RMM: 3 -0.325828662673E+03 0.10323E-01 -0.10597E-02 5478 0.222E-01 0.203E-01 RMM: 4 -0.325828395606E+03 0.26707E-03 -0.10046E-03 4954 0.629E-02 0.116E-01 RMM: 5 -0.325828320674E+03 0.74932E-04 -0.12762E-04 3844 0.296E-02 0.786E-02 RMM: 6 -0.325828286773E+03 0.33901E-04 -0.31640E-05 2869 0.167E-02 0.516E-02 RMM: 7 -0.325828297496E+03 -0.10723E-04 -0.33071E-05 2626 0.171E-02 4987 T= 7133. E= 0.67558029E+03 F= 0.63044069E+03 E0= 0.65897042E+03 EK= 0.58085E+02 SP= -.13E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325860350140E+03 -0.32063E-01 -0.15199E-01 8784 0.252E+01 0.215E-01 RMM: 2 -0.325879186202E+03 -0.18836E-01 -0.12906E-01 5402 0.779E-01 0.106E+00 RMM: 3 -0.325870826314E+03 0.83599E-02 -0.10121E-02 5668 0.213E-01 0.175E-01 RMM: 4 -0.325870628112E+03 0.19820E-03 -0.82715E-04 4855 0.592E-02 0.112E-01 RMM: 5 -0.325870549305E+03 0.78807E-04 -0.10876E-04 3764 0.264E-02 0.774E-02 RMM: 6 -0.325870519011E+03 0.30294E-04 -0.29384E-05 2787 0.164E-02 0.486E-02 RMM: 7 -0.325870526571E+03 -0.75597E-05 -0.29016E-05 2613 0.155E-02 4988 T= 7080. E= 0.67557394E+03 F= 0.63039846E+03 E0= 0.65892669E+03 EK= 0.57659E+02 SP= -.13E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326047426718E+03 -0.17691E+00 -0.14280E-01 8664 0.252E+01 0.196E-01 RMM: 2 -0.326063563985E+03 -0.16137E-01 -0.12091E-01 5469 0.758E-01 0.898E-01 RMM: 3 -0.326057329009E+03 0.62350E-02 -0.90069E-03 5896 0.190E-01 0.164E-01 RMM: 4 -0.326057123176E+03 0.20583E-03 -0.65842E-04 4688 0.561E-02 0.125E-01 RMM: 5 -0.326057021028E+03 0.10215E-03 -0.10333E-04 3710 0.260E-02 0.691E-02 RMM: 6 -0.326057003877E+03 0.17151E-04 -0.24406E-05 2596 0.149E-02 4989 T= 7043. E= 0.67556592E+03 F= 0.63021199E+03 E0= 0.65874741E+03 EK= 0.57354E+02 SP= -.12E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326255545516E+03 -0.19852E+00 -0.13273E-01 8496 0.253E+01 0.281E-01 RMM: 2 -0.326278335979E+03 -0.22790E-01 -0.11702E-01 5486 0.767E-01 0.139E+00 RMM: 3 -0.326264805199E+03 0.13531E-01 -0.11408E-02 5444 0.240E-01 0.282E-01 RMM: 4 -0.326264262148E+03 0.54305E-03 -0.12316E-03 4823 0.700E-02 0.111E-01 RMM: 5 -0.326264188645E+03 0.73503E-04 -0.14882E-04 3877 0.311E-02 0.919E-02 RMM: 6 -0.326264148921E+03 0.39724E-04 -0.36284E-05 2927 0.179E-02 0.723E-02 RMM: 7 -0.326264174964E+03 -0.26043E-04 -0.70949E-05 3580 0.227E-02 0.105E-01 RMM: 8 -0.326264095392E+03 0.79572E-04 -0.11623E-04 3885 0.232E-02 0.406E-02 RMM: 9 -0.326264094177E+03 0.12146E-05 -0.27693E-05 2656 0.149E-02 4990 T= 7006. E= 0.67555842E+03 F= 0.63000490E+03 E0= 0.65855671E+03 EK= 0.57050E+02 SP= -.12E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326370312299E+03 -0.10622E+00 -0.12888E-01 8264 0.253E+01 0.410E-01 RMM: 2 -0.326408424463E+03 -0.38112E-01 -0.12944E-01 5394 0.865E-01 0.207E+00 RMM: 3 -0.326379298965E+03 0.29125E-01 -0.16248E-02 5427 0.302E-01 0.360E-01 RMM: 4 -0.326378485491E+03 0.81347E-03 -0.23996E-03 4911 0.108E-01 0.175E-01 RMM: 5 -0.326378468873E+03 0.16618E-04 -0.35633E-04 3908 0.430E-02 0.187E-01 RMM: 6 -0.326378239851E+03 0.22902E-03 -0.11694E-04 3847 0.312E-02 0.456E-02 RMM: 7 -0.326378237313E+03 0.25385E-05 -0.26081E-05 2611 0.152E-02 4991 T= 6955. E= 0.67555396E+03 F= 0.62989075E+03 E0= 0.65846626E+03 EK= 0.56639E+02 SP= -.11E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326320620339E+03 0.57620E-01 -0.12633E-01 8232 0.251E+01 0.282E-01 RMM: 2 -0.326341739523E+03 -0.21119E-01 -0.11543E-01 5439 0.779E-01 0.133E+00 RMM: 3 -0.326329567127E+03 0.12172E-01 -0.11555E-02 5572 0.236E-01 0.262E-01 RMM: 4 -0.326329075601E+03 0.49153E-03 -0.11295E-03 4757 0.676E-02 0.103E-01 RMM: 5 -0.326329003430E+03 0.72171E-04 -0.13038E-04 3916 0.283E-02 0.858E-02 RMM: 6 -0.326328972586E+03 0.30844E-04 -0.29395E-05 2649 0.163E-02 0.636E-02 RMM: 7 -0.326328990774E+03 -0.18189E-04 -0.57031E-05 3313 0.201E-02 4992 T= 6883. E= 0.67555294E+03 F= 0.62994000E+03 E0= 0.65854515E+03 EK= 0.56053E+02 SP= -.11E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326091172696E+03 0.23780E+00 -0.12354E-01 8184 0.249E+01 0.271E-01 RMM: 2 -0.326111732238E+03 -0.20560E-01 -0.11650E-01 5316 0.778E-01 0.129E+00 RMM: 3 -0.326100328170E+03 0.11404E-01 -0.11461E-02 5660 0.222E-01 0.235E-01 RMM: 4 -0.326099946952E+03 0.38122E-03 -0.11451E-03 4675 0.737E-02 0.135E-01 RMM: 5 -0.326099871695E+03 0.75257E-04 -0.17012E-04 3902 0.307E-02 0.105E-01 RMM: 6 -0.326099803699E+03 0.67996E-04 -0.41802E-05 3078 0.198E-02 0.427E-02 RMM: 7 -0.326099803512E+03 0.18775E-06 -0.18901E-05 2513 0.132E-02 4993 T= 6789. E= 0.67555448E+03 F= 0.63016919E+03 E0= 0.65880790E+03 EK= 0.55282E+02 SP= -.10E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325702838720E+03 0.39696E+00 -0.12725E-01 8128 0.246E+01 0.248E-01 RMM: 2 -0.325722926350E+03 -0.20088E-01 -0.13572E-01 5195 0.837E-01 0.113E+00 RMM: 3 -0.325713866030E+03 0.90603E-02 -0.13332E-02 5827 0.231E-01 0.222E-01 RMM: 4 -0.325713435610E+03 0.43042E-03 -0.10161E-03 4770 0.683E-02 0.118E-01 RMM: 5 -0.325713351747E+03 0.83863E-04 -0.14400E-04 3959 0.289E-02 0.909E-02 RMM: 6 -0.325713310102E+03 0.41645E-04 -0.33828E-05 2882 0.177E-02 0.534E-02 RMM: 7 -0.325713315335E+03 -0.52327E-05 -0.29440E-05 2586 0.159E-02 4994 T= 6674. E= 0.67555757E+03 F= 0.63055567E+03 E0= 0.65922822E+03 EK= 0.54351E+02 SP= -.99E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325201584229E+03 0.51173E+00 -0.12900E-01 8424 0.242E+01 0.209E-01 RMM: 2 -0.325219498089E+03 -0.17914E-01 -0.13248E-01 5185 0.799E-01 0.961E-01 RMM: 3 -0.325212656940E+03 0.68411E-02 -0.11871E-02 5801 0.216E-01 0.220E-01 RMM: 4 -0.325212268482E+03 0.38846E-03 -0.89558E-04 4681 0.663E-02 0.105E-01 RMM: 5 -0.325212225561E+03 0.42921E-04 -0.13230E-04 3812 0.277E-02 0.913E-02 RMM: 6 -0.325212180797E+03 0.44764E-04 -0.32378E-05 2869 0.176E-02 0.491E-02 RMM: 7 -0.325212191092E+03 -0.10295E-04 -0.27361E-05 2598 0.157E-02 4995 T= 6546. E= 0.67556130E+03 F= 0.63105680E+03 E0= 0.65976159E+03 EK= 0.53310E+02 SP= -.94E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324637618977E+03 0.57456E+00 -0.13833E-01 8744 0.239E+01 0.215E-01 RMM: 2 -0.324656500757E+03 -0.18882E-01 -0.14225E-01 5228 0.810E-01 0.956E-01 RMM: 3 -0.324649375169E+03 0.71256E-02 -0.12256E-02 5758 0.224E-01 0.192E-01 RMM: 4 -0.324649099904E+03 0.27527E-03 -0.91491E-04 4773 0.647E-02 0.122E-01 RMM: 5 -0.324649023090E+03 0.76813E-04 -0.13591E-04 3816 0.286E-02 0.932E-02 RMM: 6 -0.324648974867E+03 0.48223E-04 -0.37671E-05 2980 0.186E-02 0.490E-02 RMM: 7 -0.324648984073E+03 -0.92061E-05 -0.28649E-05 2610 0.157E-02 4996 T= 6412. E= 0.67556579E+03 F= 0.63162001E+03 E0= 0.66035329E+03 EK= 0.52216E+02 SP= -.88E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324072748434E+03 0.57623E+00 -0.15314E-01 8848 0.235E+01 0.204E-01 RMM: 2 -0.324093248406E+03 -0.20500E-01 -0.15898E-01 5337 0.837E-01 0.936E-01 RMM: 3 -0.324086109070E+03 0.71393E-02 -0.13203E-02 5589 0.236E-01 0.222E-01 RMM: 4 -0.324085751234E+03 0.35784E-03 -0.10125E-03 4861 0.658E-02 0.106E-01 RMM: 5 -0.324085702190E+03 0.49043E-04 -0.14401E-04 3846 0.302E-02 0.856E-02 RMM: 6 -0.324085664668E+03 0.37522E-04 -0.33565E-05 2911 0.172E-02 0.575E-02 RMM: 7 -0.324085678016E+03 -0.13348E-04 -0.42723E-05 3050 0.189E-02 4997 T= 6279. E= 0.67557038E+03 F= 0.63218331E+03 E0= 0.66094066E+03 EK= 0.51136E+02 SP= -.83E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323578509166E+03 0.50716E+00 -0.17224E-01 8744 0.233E+01 0.205E-01 RMM: 2 -0.323600662030E+03 -0.22153E-01 -0.17472E-01 5447 0.871E-01 0.934E-01 RMM: 3 -0.323593228282E+03 0.74337E-02 -0.13158E-02 5632 0.240E-01 0.184E-01 RMM: 4 -0.323592974141E+03 0.25414E-03 -0.93380E-04 4863 0.647E-02 0.119E-01 RMM: 5 -0.323592901248E+03 0.72892E-04 -0.12611E-04 3877 0.290E-02 0.897E-02 RMM: 6 -0.323592861426E+03 0.39822E-04 -0.36158E-05 2938 0.182E-02 0.528E-02 RMM: 7 -0.323592877299E+03 -0.15873E-04 -0.28215E-05 2631 0.156E-02 4998 T= 6158. E= 0.67557569E+03 F= 0.63267611E+03 E0= 0.66145333E+03 EK= 0.50147E+02 SP= -.78E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323237314647E+03 0.35555E+00 -0.19442E-01 8880 0.230E+01 0.214E-01 RMM: 2 -0.323260410618E+03 -0.23096E-01 -0.18231E-01 5730 0.879E-01 0.955E-01 RMM: 3 -0.323252864914E+03 0.75457E-02 -0.12079E-02 5537 0.239E-01 0.220E-01 RMM: 4 -0.323252526591E+03 0.33832E-03 -0.97872E-04 4855 0.654E-02 0.115E-01 RMM: 5 -0.323252477950E+03 0.48641E-04 -0.13657E-04 3867 0.310E-02 0.926E-02 RMM: 6 -0.323252433016E+03 0.44934E-04 -0.36642E-05 2982 0.180E-02 0.550E-02 RMM: 7 -0.323252449932E+03 -0.16916E-04 -0.33500E-05 2759 0.173E-02 4999 T= 6058. E= 0.67558151E+03 F= 0.63301654E+03 E0= 0.66180895E+03 EK= 0.49331E+02 SP= -.73E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323136619157E+03 0.11581E+00 -0.21348E-01 8816 0.228E+01 0.229E-01 RMM: 2 -0.323163843765E+03 -0.27225E-01 -0.19513E-01 5756 0.899E-01 0.115E+00 RMM: 3 -0.323153151389E+03 0.10692E-01 -0.12997E-02 5519 0.248E-01 0.211E-01 RMM: 4 -0.323152857723E+03 0.29367E-03 -0.11080E-03 4873 0.691E-02 0.123E-01 RMM: 5 -0.323152794210E+03 0.63513E-04 -0.15456E-04 3918 0.321E-02 0.964E-02 RMM: 6 -0.323152745896E+03 0.48315E-04 -0.44785E-05 3104 0.196E-02 0.534E-02 RMM: 7 -0.323152764109E+03 -0.18213E-04 -0.29464E-05 2652 0.162E-02 5000 T= 5990. E= 0.67558705E+03 F= 0.63311623E+03 E0= 0.66191934E+03 EK= 0.48778E+02 SP= -.68E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323359821648E+03 -0.20708E+00 -0.24107E-01 8872 0.227E+01 0.247E-01 RMM: 2 -0.323388181772E+03 -0.28360E-01 -0.20763E-01 5736 0.932E-01 0.116E+00 RMM: 3 -0.323377542546E+03 0.10639E-01 -0.13692E-02 5494 0.259E-01 0.239E-01 RMM: 4 -0.323377168337E+03 0.37421E-03 -0.12208E-03 4922 0.712E-02 0.123E-01 RMM: 5 -0.323377125168E+03 0.43169E-04 -0.17254E-04 3916 0.338E-02 0.107E-01 RMM: 6 -0.323377059608E+03 0.65560E-04 -0.52506E-05 3219 0.210E-02 0.517E-02 RMM: 7 -0.323377080927E+03 -0.21319E-04 -0.39244E-05 2972 0.185E-02 0.784E-02 RMM: 8 -0.323377054551E+03 0.26376E-04 -0.58274E-05 3187 0.192E-02 0.426E-02 RMM: 9 -0.323377045369E+03 0.91815E-05 -0.16611E-05 2504 0.118E-02 5001 T= 5964. E= 0.67559113E+03 F= 0.63289194E+03 E0= 0.66170148E+03 EK= 0.48569E+02 SP= -.63E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323970253863E+03 -0.59320E+00 -0.24002E-01 8752 0.227E+01 0.217E-01 RMM: 2 -0.323994387662E+03 -0.24134E-01 -0.20027E-01 6124 0.880E-01 0.888E-01 RMM: 3 -0.323987211050E+03 0.71766E-02 -0.10002E-02 5573 0.216E-01 0.170E-01 RMM: 4 -0.323987148728E+03 0.62323E-04 -0.90475E-04 4769 0.647E-02 0.180E-01 RMM: 5 -0.323986962422E+03 0.18631E-03 -0.16323E-04 3884 0.326E-02 0.918E-02 RMM: 6 -0.323986914150E+03 0.48271E-04 -0.51943E-05 3227 0.215E-02 0.429E-02 RMM: 7 -0.323986931633E+03 -0.17483E-04 -0.31539E-05 2683 0.159E-02 5002 T= 5988. E= 0.67559238E+03 F= 0.63228206E+03 E0= 0.66109334E+03 EK= 0.48762E+02 SP= -.58E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324988668483E+03 -0.10018E+01 -0.23748E-01 8872 0.228E+01 0.201E-01 RMM: 2 -0.325012453122E+03 -0.23785E-01 -0.19512E-01 6278 0.853E-01 0.892E-01 RMM: 3 -0.325005156339E+03 0.72968E-02 -0.88013E-03 5525 0.201E-01 0.168E-01 RMM: 4 -0.325005015477E+03 0.14086E-03 -0.80247E-04 4840 0.575E-02 0.129E-01 RMM: 5 -0.325004929914E+03 0.85563E-04 -0.11294E-04 3834 0.266E-02 0.825E-02 RMM: 6 -0.325004902071E+03 0.27844E-04 -0.34332E-05 2986 0.175E-02 0.571E-02 RMM: 7 -0.325004941373E+03 -0.39302E-04 -0.52382E-05 3272 0.194E-02 0.968E-02 RMM: 8 -0.325004887421E+03 0.53952E-04 -0.48241E-05 3098 0.191E-02 0.333E-02 RMM: 9 -0.325004884008E+03 0.34138E-05 -0.15656E-05 2488 0.113E-02 5003 T= 6063. E= 0.67558969E+03 F= 0.63126411E+03 E0= 0.66007251E+03 EK= 0.49374E+02 SP= -.54E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326384566642E+03 -0.13797E+01 -0.24798E-01 8888 0.230E+01 0.214E-01 RMM: 2 -0.326408889681E+03 -0.24323E-01 -0.21880E-01 5731 0.928E-01 0.746E-01 RMM: 3 -0.326403075977E+03 0.58137E-02 -0.12667E-02 5857 0.220E-01 0.173E-01 RMM: 4 -0.326402915289E+03 0.16069E-03 -0.91929E-04 4766 0.681E-02 0.179E-01 RMM: 5 -0.326402724820E+03 0.19047E-03 -0.18067E-04 3898 0.334E-02 0.965E-02 RMM: 6 -0.326402670441E+03 0.54378E-04 -0.54915E-05 3264 0.220E-02 0.398E-02 RMM: 7 -0.326402682661E+03 -0.12220E-04 -0.27165E-05 2599 0.151E-02 5004 T= 6186. E= 0.67558371E+03 F= 0.62986631E+03 E0= 0.65866566E+03 EK= 0.50371E+02 SP= -.50E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328087672151E+03 -0.16850E+01 -0.24466E-01 8976 0.233E+01 0.185E-01 RMM: 2 -0.328110686872E+03 -0.23015E-01 -0.20879E-01 5862 0.901E-01 0.687E-01 RMM: 3 -0.328105586761E+03 0.51001E-02 -0.12201E-02 5949 0.210E-01 0.156E-01 RMM: 4 -0.328105349171E+03 0.23759E-03 -0.74350E-04 4751 0.586E-02 0.134E-01 RMM: 5 -0.328105239915E+03 0.10926E-03 -0.12266E-04 3857 0.288E-02 0.729E-02 RMM: 6 -0.328105231071E+03 0.88441E-05 -0.32693E-05 2867 0.168E-02 5005 T= 6345. E= 0.67557500E+03 F= 0.62816376E+03 E0= 0.65694854E+03 EK= 0.51673E+02 SP= -.46E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329982332778E+03 -0.18771E+01 -0.25142E-01 8928 0.236E+01 0.264E-01 RMM: 2 -0.330014980964E+03 -0.32648E-01 -0.21792E-01 5723 0.927E-01 0.135E+00 RMM: 3 -0.330000615460E+03 0.14366E-01 -0.14721E-02 5459 0.260E-01 0.251E-01 RMM: 4 -0.330000196659E+03 0.41880E-03 -0.13965E-03 4932 0.750E-02 0.133E-01 RMM: 5 -0.330000103364E+03 0.93295E-04 -0.18409E-04 3932 0.337E-02 0.924E-02 RMM: 6 -0.330000067210E+03 0.36153E-04 -0.45101E-05 3110 0.195E-02 0.637E-02 RMM: 7 -0.330000092894E+03 -0.25684E-04 -0.48289E-05 3166 0.200E-02 0.875E-02 RMM: 8 -0.330000048183E+03 0.44711E-04 -0.48775E-05 3022 0.181E-02 0.394E-02 RMM: 9 -0.330000050586E+03 -0.24031E-05 -0.27017E-05 2599 0.149E-02 5006 T= 6528. E= 0.67556445E+03 F= 0.62626894E+03 E0= 0.65503478E+03 EK= 0.53161E+02 SP= -.42E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331936016149E+03 -0.19360E+01 -0.24800E-01 8984 0.240E+01 0.338E-01 RMM: 2 -0.331974751302E+03 -0.38735E-01 -0.22049E-01 5298 0.971E-01 0.167E+00 RMM: 3 -0.331954115256E+03 0.20636E-01 -0.18721E-02 5474 0.297E-01 0.335E-01 RMM: 4 -0.331953422509E+03 0.69275E-03 -0.22403E-03 5001 0.103E-01 0.179E-01 RMM: 5 -0.331953333936E+03 0.88572E-04 -0.36919E-04 3997 0.466E-02 0.154E-01 RMM: 6 -0.331953187311E+03 0.14663E-03 -0.11127E-04 3800 0.290E-02 0.457E-02 RMM: 7 -0.331953204986E+03 -0.17676E-04 -0.37218E-05 2991 0.172E-02 5007 T= 6716. E= 0.67555366E+03 F= 0.62431578E+03 E0= 0.65305740E+03 EK= 0.54694E+02 SP= -.38E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333811093379E+03 -0.18579E+01 -0.24548E-01 8976 0.244E+01 0.201E-01 RMM: 2 -0.333836121801E+03 -0.25028E-01 -0.19924E-01 6000 0.872E-01 0.956E-01 RMM: 3 -0.333828054245E+03 0.80676E-02 -0.10733E-02 5523 0.216E-01 0.174E-01 RMM: 4 -0.333827868730E+03 0.18551E-03 -0.93353E-04 4915 0.611E-02 0.133E-01 RMM: 5 -0.333827762481E+03 0.10625E-03 -0.12995E-04 3872 0.291E-02 0.807E-02 RMM: 6 -0.333827745597E+03 0.16884E-04 -0.31907E-05 2816 0.165E-02 5008 T= 6893. E= 0.67554422E+03 F= 0.62244124E+03 E0= 0.65115589E+03 EK= 0.56130E+02 SP= -.34E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335483683109E+03 -0.16559E+01 -0.23532E-01 8904 0.247E+01 0.296E-01 RMM: 2 -0.335517143955E+03 -0.33461E-01 -0.20133E-01 5538 0.902E-01 0.149E+00 RMM: 3 -0.335500191166E+03 0.16953E-01 -0.15616E-02 5428 0.278E-01 0.306E-01 RMM: 4 -0.335499540259E+03 0.65091E-03 -0.16738E-03 4947 0.819E-02 0.112E-01 RMM: 5 -0.335499484518E+03 0.55741E-04 -0.20404E-04 3915 0.350E-02 0.995E-02 RMM: 6 -0.335499435321E+03 0.49198E-04 -0.48810E-05 3147 0.205E-02 0.640E-02 RMM: 7 -0.335499456116E+03 -0.20796E-04 -0.38371E-05 2876 0.183E-02 0.876E-02 RMM: 8 -0.335499412194E+03 0.43922E-04 -0.64579E-05 3422 0.194E-02 0.460E-02 RMM: 9 -0.335499408388E+03 0.38058E-05 -0.26614E-05 2624 0.148E-02 5009 T= 7041. E= 0.67553564E+03 F= 0.62076958E+03 E0= 0.64945777E+03 EK= 0.57337E+02 SP= -.30E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336847532675E+03 -0.13481E+01 -0.22604E-01 8920 0.249E+01 0.315E-01 RMM: 2 -0.336880662955E+03 -0.33130E-01 -0.20009E-01 5262 0.924E-01 0.149E+00 RMM: 3 -0.336863862568E+03 0.16800E-01 -0.16979E-02 5508 0.280E-01 0.269E-01 RMM: 4 -0.336863558601E+03 0.30397E-03 -0.19051E-03 4949 0.951E-02 0.221E-01 RMM: 5 -0.336863316070E+03 0.24253E-03 -0.34727E-04 4031 0.461E-02 0.134E-01 RMM: 6 -0.336863207238E+03 0.10883E-03 -0.99680E-05 3763 0.278E-02 0.469E-02 RMM: 7 -0.336863228563E+03 -0.21325E-04 -0.44198E-05 3087 0.189E-02 0.750E-02 RMM: 8 -0.336863199812E+03 0.28751E-04 -0.33350E-05 2738 0.181E-02 0.342E-02 RMM: 9 -0.336863199028E+03 0.78385E-06 -0.14762E-05 2489 0.111E-02 5010 T= 7148. E= 0.67552882E+03 F= 0.61940579E+03 E0= 0.64806806E+03 EK= 0.58207E+02 SP= -.25E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337824994807E+03 -0.96179E+00 -0.21560E-01 8848 0.250E+01 0.207E-01 RMM: 2 -0.337850452006E+03 -0.25457E-01 -0.18925E-01 5445 0.896E-01 0.106E+00 RMM: 3 -0.337841204122E+03 0.92479E-02 -0.14024E-02 5668 0.241E-01 0.166E-01 RMM: 4 -0.337840947256E+03 0.25687E-03 -0.98108E-04 4866 0.656E-02 0.122E-01 RMM: 5 -0.337840846832E+03 0.10042E-03 -0.13363E-04 3895 0.314E-02 0.700E-02 RMM: 6 -0.337840821875E+03 0.24957E-04 -0.29911E-05 2641 0.158E-02 0.498E-02 RMM: 7 -0.337840815234E+03 0.66409E-05 -0.43880E-05 2930 0.192E-02 5011 T= 7203. E= 0.67552405E+03 F= 0.61842817E+03 E0= 0.64706693E+03 EK= 0.58661E+02 SP= -.20E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338371224455E+03 -0.53040E+00 -0.20288E-01 8784 0.251E+01 0.166E-01 RMM: 2 -0.338392230980E+03 -0.21007E-01 -0.18163E-01 5378 0.893E-01 0.745E-01 RMM: 3 -0.338387082391E+03 0.51486E-02 -0.14313E-02 5955 0.231E-01 0.142E-01 RMM: 4 -0.338386797595E+03 0.28480E-03 -0.73922E-04 4834 0.594E-02 0.103E-01 RMM: 5 -0.338386724450E+03 0.73145E-04 -0.10021E-04 3725 0.280E-02 0.669E-02 RMM: 6 -0.338386710067E+03 0.14383E-04 -0.28009E-05 2570 0.156E-02 5012 T= 7202. E= 0.67552162E+03 F= 0.61788228E+03 E0= 0.64650199E+03 EK= 0.58653E+02 SP= -.15E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338470805467E+03 -0.84081E-01 -0.19883E-01 8440 0.250E+01 0.232E-01 RMM: 2 -0.338499765624E+03 -0.28960E-01 -0.21608E-01 4992 0.103E+00 0.113E+00 RMM: 3 -0.338489937266E+03 0.98284E-02 -0.21242E-02 5656 0.290E-01 0.203E-01 RMM: 4 -0.338489463996E+03 0.47327E-03 -0.14181E-03 5394 0.749E-02 0.950E-02 RMM: 5 -0.338489410913E+03 0.53083E-04 -0.15050E-04 4076 0.315E-02 0.792E-02 RMM: 6 -0.338489378501E+03 0.32412E-04 -0.32897E-05 2760 0.174E-02 0.521E-02 RMM: 7 -0.338489396038E+03 -0.17537E-04 -0.35141E-05 2838 0.171E-02 5013 T= 7144. E= 0.67552214E+03 F= 0.61777959E+03 E0= 0.64638600E+03 EK= 0.58177E+02 SP= -.10E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338158683414E+03 0.33070E+00 -0.16399E-01 8584 0.248E+01 0.281E-01 RMM: 2 -0.338186538066E+03 -0.27855E-01 -0.15929E-01 4869 0.895E-01 0.142E+00 RMM: 3 -0.338172159376E+03 0.14379E-01 -0.17705E-02 5558 0.282E-01 0.254E-01 RMM: 4 -0.338171649826E+03 0.50955E-03 -0.15284E-03 4919 0.814E-02 0.127E-01 RMM: 5 -0.338171607315E+03 0.42511E-04 -0.22733E-04 3905 0.378E-02 0.109E-01 RMM: 6 -0.338171526838E+03 0.80477E-04 -0.67981E-05 3398 0.236E-02 0.373E-02 RMM: 7 -0.338171537582E+03 -0.10744E-04 -0.23638E-05 2563 0.152E-02 5014 T= 7032. E= 0.67552536E+03 F= 0.61809745E+03 E0= 0.64669535E+03 EK= 0.57264E+02 SP= -.46E+00 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337472681545E+03 0.69885E+00 -0.16031E-01 8176 0.246E+01 0.192E-01 RMM: 2 -0.337494942167E+03 -0.22261E-01 -0.17485E-01 4870 0.951E-01 0.924E-01 RMM: 3 -0.337488180309E+03 0.67619E-02 -0.18071E-02 5820 0.260E-01 0.189E-01 RMM: 4 -0.337487733898E+03 0.44641E-03 -0.97753E-04 5050 0.676E-02 0.852E-02 RMM: 5 -0.337487693094E+03 0.40804E-04 -0.12377E-04 3989 0.298E-02 0.706E-02 RMM: 6 -0.337487666072E+03 0.27022E-04 -0.29546E-05 2671 0.164E-02 0.465E-02 RMM: 7 -0.337487674446E+03 -0.83745E-05 -0.29804E-05 2624 0.158E-02 5015 T= 6874. E= 0.67553076E+03 F= 0.61878131E+03 E0= 0.64737584E+03 EK= 0.55977E+02 SP= 0.10E+00 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336511244060E+03 0.97642E+00 -0.12795E-01 8376 0.242E+01 0.170E-01 RMM: 2 -0.336525163252E+03 -0.13919E-01 -0.10925E-01 4974 0.738E-01 0.770E-01 RMM: 3 -0.336520521771E+03 0.46415E-02 -0.10809E-02 5812 0.208E-01 0.154E-01 RMM: 4 -0.336520294795E+03 0.22698E-03 -0.62802E-04 4835 0.542E-02 0.925E-02 RMM: 5 -0.336520240373E+03 0.54422E-04 -0.86965E-05 3590 0.262E-02 0.623E-02 RMM: 6 -0.336520218629E+03 0.21744E-04 -0.24863E-05 2575 0.152E-02 0.383E-02 RMM: 7 -0.336520218066E+03 0.56283E-06 -0.23531E-05 2557 0.149E-02 5016 T= 6681. E= 0.67553770E+03 F= 0.61974877E+03 E0= 0.64834434E+03 EK= 0.54408E+02 SP= 0.69E+00 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335361082337E+03 0.11591E+01 -0.11842E-01 8152 0.238E+01 0.149E-01 RMM: 2 -0.335374151710E+03 -0.13069E-01 -0.11054E-01 4922 0.756E-01 0.657E-01 RMM: 3 -0.335370708216E+03 0.34435E-02 -0.11524E-02 5972 0.201E-01 0.150E-01 RMM: 4 -0.335370412232E+03 0.29598E-03 -0.55640E-04 4606 0.551E-02 0.841E-02 RMM: 5 -0.335370366812E+03 0.45419E-04 -0.78995E-05 3488 0.260E-02 0.620E-02 RMM: 6 -0.335370350354E+03 0.16458E-04 -0.23598E-05 2552 0.147E-02 5017 T= 6468. E= 0.67554581E+03 F= 0.62089864E+03 E0= 0.64949800E+03 EK= 0.52669E+02 SP= 0.13E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334136484363E+03 0.12339E+01 -0.10735E-01 7976 0.234E+01 0.208E-01 RMM: 2 -0.334154085885E+03 -0.17602E-01 -0.91697E-02 4988 0.701E-01 0.119E+00 RMM: 3 -0.334144185346E+03 0.99005E-02 -0.10482E-02 5460 0.219E-01 0.205E-01 RMM: 4 -0.334143864597E+03 0.32075E-03 -0.88092E-04 4812 0.602E-02 0.719E-02 RMM: 5 -0.334143834940E+03 0.29657E-04 -0.91935E-05 3818 0.251E-02 0.649E-02 RMM: 6 -0.334143819480E+03 0.15460E-04 -0.21831E-05 2551 0.139E-02 5018 T= 6247. E= 0.67555440E+03 F= 0.62212517E+03 E0= 0.65073017E+03 EK= 0.50874E+02 SP= 0.19E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332935808750E+03 0.12080E+01 -0.10209E-01 7696 0.230E+01 0.295E-01 RMM: 2 -0.332963685919E+03 -0.27877E-01 -0.85593E-02 5027 0.709E-01 0.174E+00 RMM: 3 -0.332942334369E+03 0.21352E-01 -0.12451E-02 5356 0.268E-01 0.292E-01 RMM: 4 -0.332941707238E+03 0.62713E-03 -0.14287E-03 4760 0.779E-02 0.745E-02 RMM: 5 -0.332941698601E+03 0.86373E-05 -0.16260E-04 3980 0.292E-02 5019 T= 6033. E= 0.67556250E+03 F= 0.62332729E+03 E0= 0.65193816E+03 EK= 0.49133E+02 SP= 0.24E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331843847063E+03 0.10979E+01 -0.95352E-02 8176 0.226E+01 0.209E-01 RMM: 2 -0.331858792273E+03 -0.14945E-01 -0.67219E-02 5089 0.609E-01 0.115E+00 RMM: 3 -0.331849455376E+03 0.93369E-02 -0.81523E-03 5355 0.208E-01 0.258E-01 RMM: 4 -0.331849003327E+03 0.45205E-03 -0.89752E-04 4680 0.619E-02 0.746E-02 RMM: 5 -0.331848981618E+03 0.21709E-04 -0.10314E-04 3817 0.264E-02 0.679E-02 RMM: 6 -0.331848957558E+03 0.24060E-04 -0.21105E-05 2555 0.136E-02 0.461E-02 RMM: 7 -0.331848966909E+03 -0.93515E-05 -0.20327E-05 2559 0.136E-02 5020 T= 5837. E= 0.67556915E+03 F= 0.62442002E+03 E0= 0.65303535E+03 EK= 0.47534E+02 SP= 0.30E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330923501247E+03 0.92546E+00 -0.92491E-02 8064 0.222E+01 0.226E-01 RMM: 2 -0.330936210970E+03 -0.12710E-01 -0.71992E-02 4832 0.658E-01 0.102E+00 RMM: 3 -0.330929081177E+03 0.71298E-02 -0.86164E-03 5457 0.203E-01 0.198E-01 RMM: 4 -0.330928860639E+03 0.22054E-03 -0.83242E-04 4664 0.624E-02 0.117E-01 RMM: 5 -0.330928853279E+03 0.73596E-05 -0.16289E-04 3854 0.326E-02 5021 T= 5666. E= 0.67557413E+03 F= 0.62534014E+03 E0= 0.65395684E+03 EK= 0.46144E+02 SP= 0.35E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330213029960E+03 0.71583E+00 -0.92062E-02 8120 0.219E+01 0.116E-01 RMM: 2 -0.330221537405E+03 -0.85074E-02 -0.75988E-02 4979 0.649E-01 0.500E-01 RMM: 3 -0.330219752908E+03 0.17845E-02 -0.82478E-03 6072 0.163E-01 0.107E-01 RMM: 4 -0.330219565731E+03 0.18718E-03 -0.35472E-04 4346 0.460E-02 0.846E-02 RMM: 5 -0.330219514337E+03 0.51394E-04 -0.51221E-05 3168 0.225E-02 0.514E-02 RMM: 6 -0.330219507336E+03 0.70012E-05 -0.21371E-05 2524 0.134E-02 5022 T= 5526. E= 0.67557763E+03 F= 0.62604948E+03 E0= 0.65466279E+03 EK= 0.45003E+02 SP= 0.41E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329732406383E+03 0.48711E+00 -0.10240E-01 7864 0.217E+01 0.193E-01 RMM: 2 -0.329748468744E+03 -0.16062E-01 -0.93419E-02 4714 0.731E-01 0.108E+00 RMM: 3 -0.329740293339E+03 0.81754E-02 -0.11095E-02 5556 0.219E-01 0.183E-01 RMM: 4 -0.329740004493E+03 0.28885E-03 -0.83504E-04 4888 0.589E-02 0.660E-02 RMM: 5 -0.329739989404E+03 0.15089E-04 -0.98092E-05 3777 0.261E-02 5023 T= 5419. E= 0.67557913E+03 F= 0.62652900E+03 E0= 0.65513275E+03 EK= 0.44132E+02 SP= 0.45E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329486465125E+03 0.25354E+00 -0.96137E-02 8096 0.216E+01 0.169E-01 RMM: 2 -0.329498495460E+03 -0.12030E-01 -0.80487E-02 5011 0.662E-01 0.870E-01 RMM: 3 -0.329493204593E+03 0.52909E-02 -0.88042E-03 5600 0.194E-01 0.180E-01 RMM: 4 -0.329492945773E+03 0.25882E-03 -0.64651E-04 4751 0.542E-02 0.810E-02 RMM: 5 -0.329492902595E+03 0.43177E-04 -0.78634E-05 3671 0.225E-02 0.689E-02 RMM: 6 -0.329492883949E+03 0.18646E-04 -0.22042E-05 2542 0.144E-02 5024 T= 5346. E= 0.67557945E+03 F= 0.62677611E+03 E0= 0.65536387E+03 EK= 0.43532E+02 SP= 0.49E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329461760007E+03 0.31143E-01 -0.10199E-01 8160 0.215E+01 0.222E-01 RMM: 2 -0.329477646516E+03 -0.15887E-01 -0.85344E-02 4931 0.676E-01 0.112E+00 RMM: 3 -0.329468595366E+03 0.90511E-02 -0.10004E-02 5420 0.221E-01 0.202E-01 RMM: 4 -0.329468297023E+03 0.29834E-03 -0.94520E-04 4887 0.608E-02 0.771E-02 RMM: 5 -0.329468275579E+03 0.21443E-04 -0.10770E-04 3835 0.264E-02 0.698E-02 RMM: 6 -0.329468246192E+03 0.29387E-04 -0.21093E-05 2563 0.136E-02 0.380E-02 RMM: 7 -0.329468247427E+03 -0.12343E-05 -0.13682E-05 2489 0.119E-02 5025 T= 5304. E= 0.67557838E+03 F= 0.62680074E+03 E0= 0.65536654E+03 EK= 0.43193E+02 SP= 0.53E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329639273141E+03 -0.17103E+00 -0.97869E-02 8280 0.216E+01 0.268E-01 RMM: 2 -0.329657582091E+03 -0.18309E-01 -0.81302E-02 5026 0.673E-01 0.132E+00 RMM: 3 -0.329645463696E+03 0.12118E-01 -0.10527E-02 5427 0.236E-01 0.246E-01 RMM: 4 -0.329645065764E+03 0.39793E-03 -0.11913E-03 4685 0.729E-02 0.121E-01 RMM: 5 -0.329645053705E+03 0.12059E-04 -0.20082E-04 3875 0.368E-02 0.117E-01 RMM: 6 -0.329644961397E+03 0.92308E-04 -0.63854E-05 3399 0.240E-02 0.339E-02 RMM: 7 -0.329644960357E+03 0.10409E-05 -0.16015E-05 2515 0.120E-02 5026 T= 5292. E= 0.67557680E+03 F= 0.62662403E+03 E0= 0.65516241E+03 EK= 0.43095E+02 SP= 0.57E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329989109474E+03 -0.34415E+00 -0.96320E-02 8248 0.216E+01 0.183E-01 RMM: 2 -0.330001234116E+03 -0.12125E-01 -0.76108E-02 5191 0.623E-01 0.906E-01 RMM: 3 -0.329995095148E+03 0.61390E-02 -0.74567E-03 5546 0.187E-01 0.170E-01 RMM: 4 -0.329994868295E+03 0.22685E-03 -0.62457E-04 4808 0.509E-02 0.789E-02 RMM: 5 -0.329994826849E+03 0.41446E-04 -0.74442E-05 3574 0.239E-02 0.591E-02 RMM: 6 -0.329994805495E+03 0.21355E-04 -0.20468E-05 2543 0.140E-02 0.384E-02 RMM: 7 -0.329994801937E+03 0.35573E-05 -0.16209E-05 2523 0.118E-02 5027 T= 5306. E= 0.67557446E+03 F= 0.62627419E+03 E0= 0.65478161E+03 EK= 0.43206E+02 SP= 0.60E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330479921801E+03 -0.48512E+00 -0.98298E-02 8432 0.218E+01 0.146E-01 RMM: 2 -0.330490217638E+03 -0.10296E-01 -0.79326E-02 5032 0.645E-01 0.700E-01 RMM: 3 -0.330486538446E+03 0.36792E-02 -0.79348E-03 5901 0.175E-01 0.135E-01 RMM: 4 -0.330486335617E+03 0.20283E-03 -0.43589E-04 4510 0.465E-02 0.729E-02 RMM: 5 -0.330486301476E+03 0.34140E-04 -0.56441E-05 3290 0.226E-02 0.512E-02 RMM: 6 -0.330486289441E+03 0.12036E-04 -0.19025E-05 2516 0.133E-02 5028 T= 5341. E= 0.67557223E+03 F= 0.62578270E+03 E0= 0.65425696E+03 EK= 0.43496E+02 SP= 0.62E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331083494566E+03 -0.59719E+00 -0.10026E-01 8072 0.219E+01 0.170E-01 RMM: 2 -0.331096928005E+03 -0.13433E-01 -0.90447E-02 5017 0.683E-01 0.881E-01 RMM: 3 -0.331091143265E+03 0.57847E-02 -0.94450E-03 5656 0.198E-01 0.179E-01 RMM: 4 -0.331090841131E+03 0.30213E-03 -0.63860E-04 4725 0.548E-02 0.735E-02 RMM: 5 -0.331090804495E+03 0.36636E-04 -0.76341E-05 3606 0.235E-02 0.583E-02 RMM: 6 -0.331090788878E+03 0.15617E-04 -0.18591E-05 2523 0.130E-02 5029 T= 5395. E= 0.67556999E+03 F= 0.62517820E+03 E0= 0.65361920E+03 EK= 0.43933E+02 SP= 0.64E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331777156287E+03 -0.68635E+00 -0.96939E-02 8544 0.221E+01 0.256E-01 RMM: 2 -0.331799268098E+03 -0.22112E-01 -0.80483E-02 5210 0.660E-01 0.151E+00 RMM: 3 -0.331783317775E+03 0.15950E-01 -0.10141E-02 5385 0.235E-01 0.231E-01 RMM: 4 -0.331782900615E+03 0.41716E-03 -0.10641E-03 4732 0.659E-02 0.752E-02 RMM: 5 -0.331782869971E+03 0.30644E-04 -0.10643E-04 3941 0.258E-02 0.687E-02 RMM: 6 -0.331782845386E+03 0.24585E-04 -0.19753E-05 2550 0.133E-02 0.509E-02 RMM: 7 -0.331782855609E+03 -0.10224E-04 -0.32078E-05 2732 0.171E-02 5030 T= 5464. E= 0.67556803E+03 F= 0.62448613E+03 E0= 0.65289537E+03 EK= 0.44492E+02 SP= 0.66E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332536221870E+03 -0.75338E+00 -0.10038E-01 8224 0.223E+01 0.223E-01 RMM: 2 -0.332551322617E+03 -0.15101E-01 -0.96040E-02 4928 0.714E-01 0.100E+00 RMM: 3 -0.332544000525E+03 0.73221E-02 -0.11104E-02 5461 0.232E-01 0.243E-01 RMM: 4 -0.332543625050E+03 0.37547E-03 -0.10795E-03 4735 0.716E-02 0.109E-01 RMM: 5 -0.332543624525E+03 0.52560E-06 -0.17187E-04 3873 0.333E-02 5031 T= 5545. E= 0.67556705E+03 F= 0.62372536E+03 E0= 0.65210498E+03 EK= 0.45152E+02 SP= 0.67E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333351471297E+03 -0.80785E+00 -0.10087E-01 8392 0.224E+01 0.183E-01 RMM: 2 -0.333367355336E+03 -0.15884E-01 -0.87298E-02 5350 0.657E-01 0.108E+00 RMM: 3 -0.333358678104E+03 0.86772E-02 -0.81292E-03 5458 0.194E-01 0.166E-01 RMM: 4 -0.333358466151E+03 0.21195E-03 -0.65383E-04 4933 0.507E-02 0.820E-02 RMM: 5 -0.333358412990E+03 0.53161E-04 -0.57504E-05 3240 0.215E-02 0.630E-02 RMM: 6 -0.333358403045E+03 0.99452E-05 -0.21579E-05 2517 0.139E-02 5032 T= 5636. E= 0.67556634E+03 F= 0.62291059E+03 E0= 0.65126472E+03 EK= 0.45896E+02 SP= 0.68E+01 SK= 0.84E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334207082747E+03 -0.84867E+00 -0.99071E-02 8056 0.226E+01 0.260E-01 RMM: 2 -0.334228247354E+03 -0.21165E-01 -0.90273E-02 4951 0.709E-01 0.141E+00 RMM: 3 -0.334214324706E+03 0.13923E-01 -0.11893E-02 5391 0.252E-01 0.247E-01 RMM: 4 -0.334213880157E+03 0.44455E-03 -0.11507E-03 4781 0.684E-02 0.720E-02 RMM: 5 -0.334213872036E+03 0.81202E-05 -0.12449E-04 3853 0.291E-02 5033 T= 5736. E= 0.67556551E+03 F= 0.62205512E+03 E0= 0.65038780E+03 EK= 0.46709E+02 SP= 0.68E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335082856484E+03 -0.86898E+00 -0.97258E-02 7856 0.228E+01 0.235E-01 RMM: 2 -0.335104714683E+03 -0.21858E-01 -0.98198E-02 4977 0.733E-01 0.138E+00 RMM: 3 -0.335091078992E+03 0.13636E-01 -0.12092E-02 5419 0.246E-01 0.207E-01 RMM: 4 -0.335090767986E+03 0.31101E-03 -0.10855E-03 4778 0.674E-02 0.101E-01 RMM: 5 -0.335090712995E+03 0.54991E-04 -0.12195E-04 3908 0.293E-02 0.803E-02 RMM: 6 -0.335090676520E+03 0.36475E-04 -0.28072E-05 2584 0.160E-02 0.487E-02 RMM: 7 -0.335090677949E+03 -0.14282E-05 -0.26427E-05 2605 0.150E-02 5034 T= 5841. E= 0.67556385E+03 F= 0.62117831E+03 E0= 0.64949440E+03 EK= 0.47568E+02 SP= 0.68E+01 SK= 0.77E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.335949631171E+03 -0.85895E+00 -0.97660E-02 7808 0.229E+01 0.183E-01 RMM: 2 -0.335962673322E+03 -0.13042E-01 -0.91669E-02 4799 0.712E-01 0.848E-01 RMM: 3 -0.335957516452E+03 0.51569E-02 -0.10335E-02 5712 0.202E-01 0.154E-01 RMM: 4 -0.335957328667E+03 0.18778E-03 -0.66972E-04 4676 0.588E-02 0.115E-01 RMM: 5 -0.335957261244E+03 0.67424E-04 -0.10827E-04 3711 0.289E-02 0.658E-02 RMM: 6 -0.335957236478E+03 0.24766E-04 -0.29819E-05 2789 0.169E-02 0.291E-02 RMM: 7 -0.335957245417E+03 -0.89397E-05 -0.15494E-05 2503 0.127E-02 5035 T= 5948. E= 0.67556068E+03 F= 0.62031174E+03 E0= 0.64861593E+03 EK= 0.48437E+02 SP= 0.68E+01 SK= 0.58E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336761603533E+03 -0.80437E+00 -0.98984E-02 8056 0.231E+01 0.141E-01 RMM: 2 -0.336771792369E+03 -0.10189E-01 -0.90655E-02 4922 0.703E-01 0.547E-01 RMM: 3 -0.336769649496E+03 0.21429E-02 -0.10003E-02 6059 0.184E-01 0.120E-01 RMM: 4 -0.336769456459E+03 0.19304E-03 -0.43726E-04 4462 0.514E-02 0.110E-01 RMM: 5 -0.336769359791E+03 0.96668E-04 -0.80132E-05 3489 0.267E-02 0.514E-02 RMM: 6 -0.336769350480E+03 0.93112E-05 -0.19957E-05 2519 0.125E-02 5036 T= 6050. E= 0.67555732E+03 F= 0.61949964E+03 E0= 0.64779554E+03 EK= 0.49271E+02 SP= 0.68E+01 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337467618428E+03 -0.69826E+00 -0.10768E-01 8192 0.232E+01 0.136E-01 RMM: 2 -0.337479422785E+03 -0.11804E-01 -0.10016E-01 4901 0.720E-01 0.612E-01 RMM: 3 -0.337476482095E+03 0.29407E-02 -0.10720E-02 5967 0.194E-01 0.122E-01 RMM: 4 -0.337476247250E+03 0.23484E-03 -0.43780E-04 4839 0.471E-02 0.727E-02 RMM: 5 -0.337476212979E+03 0.34271E-04 -0.49762E-05 2891 0.225E-02 0.582E-02 RMM: 6 -0.337476206288E+03 0.66910E-05 -0.22059E-05 2516 0.146E-02 5037 T= 6142. E= 0.67555401E+03 F= 0.61879278E+03 E0= 0.64708528E+03 EK= 0.50017E+02 SP= 0.67E+01 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338023037068E+03 -0.54682E+00 -0.10577E-01 8456 0.233E+01 0.303E-01 RMM: 2 -0.338051037335E+03 -0.28000E-01 -0.10128E-01 4912 0.756E-01 0.170E+00 RMM: 3 -0.338030992327E+03 0.20045E-01 -0.14424E-02 5388 0.282E-01 0.270E-01 RMM: 4 -0.338030474124E+03 0.51820E-03 -0.15411E-03 4844 0.802E-02 0.904E-02 RMM: 5 -0.338030444174E+03 0.29950E-04 -0.17035E-04 3942 0.322E-02 0.910E-02 RMM: 6 -0.338030395134E+03 0.49040E-04 -0.33278E-05 2751 0.178E-02 0.451E-02 RMM: 7 -0.338030395625E+03 -0.49148E-06 -0.18297E-05 2508 0.137E-02 5038 T= 6217. E= 0.67555164E+03 F= 0.61823859E+03 E0= 0.64653138E+03 EK= 0.50624E+02 SP= 0.67E+01 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338391955474E+03 -0.36156E+00 -0.10743E-01 8744 0.234E+01 0.245E-01 RMM: 2 -0.338413815796E+03 -0.21860E-01 -0.96290E-02 4990 0.698E-01 0.141E+00 RMM: 3 -0.338399806594E+03 0.14009E-01 -0.11980E-02 5393 0.250E-01 0.239E-01 RMM: 4 -0.338399431776E+03 0.37482E-03 -0.12447E-03 4804 0.722E-02 0.106E-01 RMM: 5 -0.338399398500E+03 0.33277E-04 -0.15621E-04 3880 0.338E-02 0.959E-02 RMM: 6 -0.338399335761E+03 0.62738E-04 -0.40253E-05 2975 0.192E-02 0.389E-02 RMM: 7 -0.338399338224E+03 -0.24625E-05 -0.19837E-05 2529 0.142E-02 5039 T= 6270. E= 0.67555062E+03 F= 0.61786965E+03 E0= 0.64616611E+03 EK= 0.51059E+02 SP= 0.66E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338560533166E+03 -0.16120E+00 -0.11379E-01 8656 0.234E+01 0.189E-01 RMM: 2 -0.338576906013E+03 -0.16373E-01 -0.10534E-01 5011 0.724E-01 0.100E+00 RMM: 3 -0.338569387728E+03 0.75183E-02 -0.10858E-02 5579 0.216E-01 0.182E-01 RMM: 4 -0.338569102190E+03 0.28554E-03 -0.78099E-04 4908 0.581E-02 0.775E-02 RMM: 5 -0.338569071397E+03 0.30792E-04 -0.91194E-05 3679 0.261E-02 0.699E-02 RMM: 6 -0.338569046195E+03 0.25203E-04 -0.23433E-05 2557 0.146E-02 0.444E-02 RMM: 7 -0.338569048809E+03 -0.26147E-05 -0.17814E-05 2505 0.132E-02 5040 T= 6300. E= 0.67555087E+03 F= 0.61769994E+03 E0= 0.64600242E+03 EK= 0.51304E+02 SP= 0.65E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338537224678E+03 0.31822E-01 -0.11685E-01 8632 0.234E+01 0.134E-01 RMM: 2 -0.338548170683E+03 -0.10946E-01 -0.95190E-02 5177 0.664E-01 0.575E-01 RMM: 3 -0.338545134381E+03 0.30363E-02 -0.80775E-03 5995 0.176E-01 0.115E-01 RMM: 4 -0.338544982937E+03 0.15144E-03 -0.41497E-04 4502 0.463E-02 0.925E-02 RMM: 5 -0.338544923979E+03 0.58958E-04 -0.59007E-05 3300 0.234E-02 0.477E-02 RMM: 6 -0.338544915741E+03 0.82377E-05 -0.17886E-05 2518 0.125E-02 5041 T= 6308. E= 0.67555258E+03 F= 0.61772407E+03 E0= 0.64603477E+03 EK= 0.51365E+02 SP= 0.64E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338343722026E+03 0.20120E+00 -0.11874E-01 8696 0.233E+01 0.159E-01 RMM: 2 -0.338357050304E+03 -0.13328E-01 -0.10089E-01 5294 0.678E-01 0.779E-01 RMM: 3 -0.338352129129E+03 0.49212E-02 -0.85650E-03 5888 0.181E-01 0.147E-01 RMM: 4 -0.338351895798E+03 0.23333E-03 -0.49605E-04 4575 0.480E-02 0.788E-02 RMM: 5 -0.338351854086E+03 0.41711E-04 -0.57978E-05 3304 0.217E-02 0.592E-02 RMM: 6 -0.338351841110E+03 0.12976E-04 -0.20689E-05 2524 0.139E-02 5042 T= 6295. E= 0.67555542E+03 F= 0.61791715E+03 E0= 0.64623738E+03 EK= 0.51265E+02 SP= 0.64E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338024688040E+03 0.32717E+00 -0.12026E-01 8608 0.232E+01 0.254E-01 RMM: 2 -0.338046634356E+03 -0.21946E-01 -0.94897E-02 5302 0.677E-01 0.141E+00 RMM: 3 -0.338032040247E+03 0.14594E-01 -0.10099E-02 5376 0.232E-01 0.247E-01 RMM: 4 -0.338031593096E+03 0.44715E-03 -0.10757E-03 4818 0.663E-02 0.716E-02 RMM: 5 -0.338031568263E+03 0.24833E-04 -0.10676E-04 4020 0.250E-02 0.752E-02 RMM: 6 -0.338031539742E+03 0.28520E-04 -0.20307E-05 2550 0.135E-02 0.494E-02 RMM: 7 -0.338031555532E+03 -0.15790E-04 -0.33404E-05 2809 0.170E-02 5043 T= 6268. E= 0.67555942E+03 F= 0.61823743E+03 E0= 0.64656896E+03 EK= 0.51046E+02 SP= 0.63E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337632007938E+03 0.39953E+00 -0.12072E-01 8464 0.231E+01 0.285E-01 RMM: 2 -0.337656813589E+03 -0.24806E-01 -0.10844E-01 5136 0.735E-01 0.151E+00 RMM: 3 -0.337640492651E+03 0.16321E-01 -0.12665E-02 5397 0.255E-01 0.283E-01 RMM: 4 -0.337639942161E+03 0.55049E-03 -0.14786E-03 4750 0.819E-02 0.115E-01 RMM: 5 -0.337640006524E+03 -0.64364E-04 -0.22492E-04 3888 0.375E-02 0.152E-01 RMM: 6 -0.337639849510E+03 0.15701E-03 -0.71713E-05 3470 0.251E-02 0.319E-02 RMM: 7 -0.337639851539E+03 -0.20287E-05 -0.18125E-05 2535 0.129E-02 5044 T= 6234. E= 0.67556437E+03 F= 0.61862914E+03 E0= 0.64697284E+03 EK= 0.50765E+02 SP= 0.61E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337230332815E+03 0.40952E+00 -0.11877E-01 8552 0.230E+01 0.238E-01 RMM: 2 -0.337251550276E+03 -0.21217E-01 -0.10500E-01 5203 0.716E-01 0.133E+00 RMM: 3 -0.337238810057E+03 0.12740E-01 -0.10944E-02 5467 0.227E-01 0.207E-01 RMM: 4 -0.337238486935E+03 0.32312E-03 -0.10041E-03 4817 0.644E-02 0.902E-02 RMM: 5 -0.337238440142E+03 0.46793E-04 -0.11757E-04 3857 0.271E-02 0.796E-02 RMM: 6 -0.337238398675E+03 0.41467E-04 -0.27154E-05 2640 0.156E-02 0.435E-02 RMM: 7 -0.337238400820E+03 -0.21445E-05 -0.24222E-05 2566 0.146E-02 5045 T= 6199. E= 0.67556922E+03 F= 0.61903059E+03 E0= 0.64738906E+03 EK= 0.50483E+02 SP= 0.60E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336878919781E+03 0.35948E+00 -0.11662E-01 8352 0.229E+01 0.176E-01 RMM: 2 -0.336892746091E+03 -0.13826E-01 -0.10114E-01 5119 0.713E-01 0.846E-01 RMM: 3 -0.336887474466E+03 0.52716E-02 -0.99153E-03 5767 0.196E-01 0.163E-01 RMM: 4 -0.336887215978E+03 0.25849E-03 -0.63756E-04 4733 0.545E-02 0.792E-02 RMM: 5 -0.336887190728E+03 0.25251E-04 -0.86729E-05 3677 0.242E-02 0.698E-02 RMM: 6 -0.336887161741E+03 0.28987E-04 -0.21029E-05 2552 0.141E-02 0.332E-02 RMM: 7 -0.336887164847E+03 -0.31064E-05 -0.15309E-05 2491 0.122E-02 5046 T= 6172. E= 0.67557311E+03 F= 0.61938182E+03 E0= 0.64775769E+03 EK= 0.50261E+02 SP= 0.59E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336625997202E+03 0.26116E+00 -0.11766E-01 7936 0.228E+01 0.169E-01 RMM: 2 -0.336640100835E+03 -0.14104E-01 -0.11238E-01 4957 0.756E-01 0.765E-01 RMM: 3 -0.336635689647E+03 0.44112E-02 -0.11901E-02 5986 0.201E-01 0.142E-01 RMM: 4 -0.336635414691E+03 0.27496E-03 -0.60160E-04 4630 0.570E-02 0.101E-01 RMM: 5 -0.336635356509E+03 0.58182E-04 -0.93825E-05 3608 0.256E-02 0.705E-02 RMM: 6 -0.336635326756E+03 0.29753E-04 -0.24941E-05 2569 0.152E-02 0.333E-02 RMM: 7 -0.336635327626E+03 -0.86975E-06 -0.15988E-05 2491 0.122E-02 5047 T= 6158. E= 0.67557496E+03 F= 0.61963366E+03 E0= 0.64803074E+03 EK= 0.50148E+02 SP= 0.57E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336501419295E+03 0.13391E+00 -0.11349E-01 8080 0.228E+01 0.153E-01 RMM: 2 -0.336512914605E+03 -0.11495E-01 -0.96937E-02 5057 0.701E-01 0.650E-01 RMM: 3 -0.336509812464E+03 0.31021E-02 -0.99393E-03 5974 0.183E-01 0.129E-01 RMM: 4 -0.336509574015E+03 0.23845E-03 -0.47369E-04 4506 0.488E-02 0.813E-02 RMM: 5 -0.336509535380E+03 0.38635E-04 -0.66441E-05 3467 0.230E-02 0.569E-02 RMM: 6 -0.336509520692E+03 0.14688E-04 -0.20351E-05 2529 0.137E-02 5048 T= 6161. E= 0.67557583E+03 F= 0.61975947E+03 E0= 0.64818244E+03 EK= 0.50172E+02 SP= 0.56E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336505677892E+03 0.38575E-02 -0.11131E-01 8008 0.229E+01 0.182E-01 RMM: 2 -0.336520409773E+03 -0.14732E-01 -0.96257E-02 5028 0.693E-01 0.957E-01 RMM: 3 -0.336513848321E+03 0.65615E-02 -0.99027E-03 5642 0.200E-01 0.171E-01 RMM: 4 -0.336513584501E+03 0.26382E-03 -0.66053E-04 4803 0.538E-02 0.761E-02 RMM: 5 -0.336513553511E+03 0.30989E-04 -0.80151E-05 3646 0.234E-02 0.642E-02 RMM: 6 -0.336513535482E+03 0.18029E-04 -0.20206E-05 2537 0.134E-02 5049 T= 6181. E= 0.67557482E+03 F= 0.61975545E+03 E0= 0.64820923E+03 EK= 0.50336E+02 SP= 0.54E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336618471552E+03 -0.10492E+00 -0.11133E-01 8384 0.230E+01 0.279E-01 RMM: 2 -0.336642674234E+03 -0.24203E-01 -0.95276E-02 5116 0.708E-01 0.155E+00 RMM: 3 -0.336626032093E+03 0.16642E-01 -0.12220E-02 5392 0.254E-01 0.275E-01 RMM: 4 -0.336625470441E+03 0.56165E-03 -0.13394E-03 4739 0.741E-02 0.736E-02 RMM: 5 -0.336625449102E+03 0.21339E-04 -0.14572E-04 4251 0.276E-02 0.745E-02 RMM: 6 -0.336625420244E+03 0.28858E-04 -0.22056E-05 2566 0.140E-02 0.488E-02 RMM: 7 -0.336625435352E+03 -0.15108E-04 -0.28739E-05 2651 0.166E-02 5050 T= 6216. E= 0.67557252E+03 F= 0.61964355E+03 E0= 0.64813298E+03 EK= 0.50620E+02 SP= 0.52E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336799377290E+03 -0.17396E+00 -0.11426E-01 8392 0.231E+01 0.239E-01 RMM: 2 -0.336816764688E+03 -0.17387E-01 -0.10123E-01 5040 0.720E-01 0.113E+00 RMM: 3 -0.336807660400E+03 0.91043E-02 -0.11371E-02 5440 0.233E-01 0.232E-01 RMM: 4 -0.336807303134E+03 0.35727E-03 -0.11552E-03 4683 0.735E-02 0.107E-01 RMM: 5 -0.336807299074E+03 0.40592E-05 -0.17899E-04 3890 0.337E-02 5051 T= 6261. E= 0.67556979E+03 F= 0.61946169E+03 E0= 0.64798964E+03 EK= 0.50984E+02 SP= 0.50E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336997742126E+03 -0.19044E+00 -0.11926E-01 8592 0.232E+01 0.157E-01 RMM: 2 -0.337012446825E+03 -0.14705E-01 -0.11058E-01 5259 0.717E-01 0.826E-01 RMM: 3 -0.337007195791E+03 0.52510E-02 -0.99347E-03 5682 0.196E-01 0.152E-01 RMM: 4 -0.337006980437E+03 0.21535E-03 -0.61373E-04 4731 0.508E-02 0.893E-02 RMM: 5 -0.337006923859E+03 0.56578E-04 -0.70347E-05 3457 0.228E-02 0.648E-02 RMM: 6 -0.337006911884E+03 0.11975E-04 -0.21746E-05 2526 0.140E-02 5052 T= 6309. E= 0.67556686E+03 F= 0.61926208E+03 E0= 0.64783064E+03 EK= 0.51377E+02 SP= 0.48E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337153200181E+03 -0.14628E+00 -0.12305E-01 8424 0.234E+01 0.243E-01 RMM: 2 -0.337176478286E+03 -0.23278E-01 -0.11659E-01 4924 0.763E-01 0.138E+00 RMM: 3 -0.337162721206E+03 0.13757E-01 -0.13001E-02 5449 0.252E-01 0.210E-01 RMM: 4 -0.337162373792E+03 0.34741E-03 -0.12061E-03 5019 0.677E-02 0.786E-02 RMM: 5 -0.337162350043E+03 0.23749E-04 -0.11869E-04 3786 0.289E-02 0.781E-02 RMM: 6 -0.337162314707E+03 0.35336E-04 -0.24521E-05 2578 0.148E-02 0.435E-02 RMM: 7 -0.337162322864E+03 -0.81570E-05 -0.22917E-05 2571 0.153E-02 5053 T= 6353. E= 0.67556260E+03 F= 0.61910667E+03 E0= 0.64771617E+03 EK= 0.51732E+02 SP= 0.46E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337198341510E+03 -0.36027E-01 -0.13047E-01 8392 0.235E+01 0.277E-01 RMM: 2 -0.337224284128E+03 -0.25943E-01 -0.13192E-01 4968 0.820E-01 0.146E+00 RMM: 3 -0.337209071889E+03 0.15212E-01 -0.15171E-02 5459 0.270E-01 0.220E-01 RMM: 4 -0.337208768720E+03 0.30317E-03 -0.15151E-03 4843 0.811E-02 0.147E-01 RMM: 5 -0.337208686294E+03 0.82426E-04 -0.21462E-04 3884 0.372E-02 0.110E-01 RMM: 6 -0.337208603635E+03 0.82659E-04 -0.56568E-05 3279 0.220E-02 0.321E-02 RMM: 7 -0.337208604469E+03 -0.83383E-06 -0.18611E-05 2523 0.133E-02 5054 T= 6384. E= 0.67555875E+03 F= 0.61906038E+03 E0= 0.64770785E+03 EK= 0.51986E+02 SP= 0.44E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337072102686E+03 0.13650E+00 -0.13827E-01 8488 0.236E+01 0.178E-01 RMM: 2 -0.337090753614E+03 -0.18651E-01 -0.14628E-01 4984 0.850E-01 0.870E-01 RMM: 3 -0.337084946229E+03 0.58074E-02 -0.15032E-02 5945 0.226E-01 0.172E-01 RMM: 4 -0.337084506569E+03 0.43966E-03 -0.75684E-04 4867 0.609E-02 0.850E-02 RMM: 5 -0.337084468165E+03 0.38405E-04 -0.10513E-04 3782 0.277E-02 0.644E-02 RMM: 6 -0.337084445021E+03 0.23143E-04 -0.25251E-05 2582 0.151E-02 0.457E-02 RMM: 7 -0.337084451637E+03 -0.66159E-05 -0.26928E-05 2620 0.151E-02 5055 T= 6395. E= 0.67555527E+03 F= 0.61918454E+03 E0= 0.64786416E+03 EK= 0.52074E+02 SP= 0.42E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336725527485E+03 0.35892E+00 -0.14479E-01 8240 0.237E+01 0.157E-01 RMM: 2 -0.336744290176E+03 -0.18763E-01 -0.16934E-01 4897 0.911E-01 0.654E-01 RMM: 3 -0.336740609380E+03 0.36808E-02 -0.17400E-02 6229 0.229E-01 0.139E-01 RMM: 4 -0.336740203166E+03 0.40621E-03 -0.73608E-04 4766 0.638E-02 0.102E-01 RMM: 5 -0.336740138541E+03 0.64626E-04 -0.95538E-05 3632 0.275E-02 0.578E-02 RMM: 6 -0.336740122325E+03 0.16216E-04 -0.23169E-05 2549 0.145E-02 5056 T= 6379. E= 0.67555327E+03 F= 0.61952887E+03 E0= 0.64823329E+03 EK= 0.51948E+02 SP= 0.40E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336136106258E+03 0.60403E+00 -0.13990E-01 8288 0.237E+01 0.156E-01 RMM: 2 -0.336153016838E+03 -0.16911E-01 -0.14308E-01 5082 0.829E-01 0.718E-01 RMM: 3 -0.336148625242E+03 0.43916E-02 -0.13620E-02 5902 0.218E-01 0.162E-01 RMM: 4 -0.336148264986E+03 0.36026E-03 -0.65031E-04 4815 0.564E-02 0.780E-02 RMM: 5 -0.336148220460E+03 0.44526E-04 -0.78289E-05 3592 0.242E-02 0.658E-02 RMM: 6 -0.336148205711E+03 0.14749E-04 -0.23660E-05 2537 0.151E-02 5057 T= 6334. E= 0.67555341E+03 F= 0.62012078E+03 E0= 0.64884049E+03 EK= 0.51579E+02 SP= 0.37E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335301013352E+03 0.84721E+00 -0.13305E-01 8432 0.237E+01 0.330E-01 RMM: 2 -0.335339325062E+03 -0.38312E-01 -0.12645E-01 4962 0.815E-01 0.200E+00 RMM: 3 -0.335310842016E+03 0.28483E-01 -0.17023E-02 5393 0.305E-01 0.304E-01 RMM: 4 -0.335310164459E+03 0.67756E-03 -0.18595E-03 5011 0.845E-02 0.886E-02 RMM: 5 -0.335310138705E+03 0.25755E-04 -0.18131E-04 4035 0.312E-02 0.919E-02 RMM: 6 -0.335310089660E+03 0.49045E-04 -0.29673E-05 2673 0.163E-02 0.521E-02 RMM: 7 -0.335310096183E+03 -0.65233E-05 -0.28548E-05 2743 0.166E-02 5058 T= 6259. E= 0.67555592E+03 F= 0.62095889E+03 E0= 0.64968393E+03 EK= 0.50971E+02 SP= 0.35E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334253954915E+03 0.10561E+01 -0.12977E-01 8624 0.236E+01 0.340E-01 RMM: 2 -0.334293101340E+03 -0.39146E-01 -0.11631E-01 4951 0.776E-01 0.207E+00 RMM: 3 -0.334262930837E+03 0.30171E-01 -0.16694E-02 5375 0.308E-01 0.341E-01 RMM: 4 -0.334262123986E+03 0.80685E-03 -0.20441E-03 5091 0.935E-02 0.120E-01 RMM: 5 -0.334262160558E+03 -0.36572E-04 -0.27412E-04 3903 0.392E-02 0.141E-01 RMM: 6 -0.334262022473E+03 0.13808E-03 -0.75389E-05 3512 0.251E-02 0.419E-02 RMM: 7 -0.334262020768E+03 0.17057E-05 -0.18711E-05 2544 0.132E-02 5059 T= 6160. E= 0.67556094E+03 F= 0.62200697E+03 E0= 0.65072670E+03 EK= 0.50161E+02 SP= 0.33E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333058042411E+03 0.12040E+01 -0.12747E-01 8160 0.234E+01 0.255E-01 RMM: 2 -0.333085030351E+03 -0.26988E-01 -0.12906E-01 4867 0.825E-01 0.149E+00 RMM: 3 -0.333068838344E+03 0.16192E-01 -0.15664E-02 5462 0.278E-01 0.253E-01 RMM: 4 -0.333068377480E+03 0.46086E-03 -0.14615E-03 5062 0.749E-02 0.938E-02 RMM: 5 -0.333068331651E+03 0.45829E-04 -0.14736E-04 3849 0.319E-02 0.845E-02 RMM: 6 -0.333068288026E+03 0.43625E-04 -0.30593E-05 2675 0.165E-02 0.484E-02 RMM: 7 -0.333068288165E+03 -0.13873E-06 -0.19330E-05 2537 0.140E-02 5060 T= 6043. E= 0.67556692E+03 F= 0.62320070E+03 E0= 0.65190672E+03 EK= 0.49214E+02 SP= 0.30E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331797136252E+03 0.12712E+01 -0.11578E-01 7952 0.232E+01 0.183E-01 RMM: 2 -0.331811650913E+03 -0.14515E-01 -0.10173E-01 4968 0.740E-01 0.895E-01 RMM: 3 -0.331805795298E+03 0.58556E-02 -0.11197E-02 5670 0.216E-01 0.187E-01 RMM: 4 -0.331805469505E+03 0.32579E-03 -0.74203E-04 4818 0.587E-02 0.793E-02 RMM: 5 -0.331805443856E+03 0.25649E-04 -0.92688E-05 3679 0.265E-02 0.672E-02 RMM: 6 -0.331805419877E+03 0.23979E-04 -0.22508E-05 2565 0.144E-02 0.416E-02 RMM: 7 -0.331805423292E+03 -0.34149E-05 -0.14800E-05 2506 0.121E-02 5061 T= 5920. E= 0.67557276E+03 F= 0.62446357E+03 E0= 0.65314779E+03 EK= 0.48210E+02 SP= 0.27E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330537803594E+03 0.12676E+01 -0.10361E-01 7864 0.230E+01 0.159E-01 RMM: 2 -0.330548981642E+03 -0.11178E-01 -0.90467E-02 4905 0.700E-01 0.683E-01 RMM: 3 -0.330545484864E+03 0.34968E-02 -0.99711E-03 5812 0.196E-01 0.138E-01 RMM: 4 -0.330545291201E+03 0.19366E-03 -0.54681E-04 4709 0.524E-02 0.102E-01 RMM: 5 -0.330545231441E+03 0.59760E-04 -0.79508E-05 3514 0.262E-02 0.635E-02 RMM: 6 -0.330545208084E+03 0.23357E-04 -0.23838E-05 2567 0.149E-02 0.369E-02 RMM: 7 -0.330545204528E+03 0.35559E-05 -0.20545E-05 2526 0.137E-02 5062 T= 5799. E= 0.67557709E+03 F= 0.62572378E+03 E0= 0.65438140E+03 EK= 0.47221E+02 SP= 0.24E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329334327260E+03 0.12109E+01 -0.97977E-02 7744 0.228E+01 0.153E-01 RMM: 2 -0.329344113380E+03 -0.97861E-02 -0.77513E-02 4907 0.659E-01 0.671E-01 RMM: 3 -0.329340842091E+03 0.32713E-02 -0.84754E-03 5769 0.183E-01 0.146E-01 RMM: 4 -0.329340639184E+03 0.20291E-03 -0.46905E-04 4591 0.486E-02 0.813E-02 RMM: 5 -0.329340609035E+03 0.30149E-04 -0.70301E-05 3432 0.243E-02 0.666E-02 RMM: 6 -0.329340583347E+03 0.25688E-04 -0.24355E-05 2580 0.155E-02 0.326E-02 RMM: 7 -0.329340585145E+03 -0.17980E-05 -0.16056E-05 2488 0.123E-02 5063 T= 5686. E= 0.67558003E+03 F= 0.62692840E+03 E0= 0.65555606E+03 EK= 0.46305E+02 SP= 0.21E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328221933571E+03 0.11186E+01 -0.96649E-02 7760 0.226E+01 0.166E-01 RMM: 2 -0.328231612963E+03 -0.96794E-02 -0.69927E-02 5064 0.617E-01 0.748E-01 RMM: 3 -0.328227622681E+03 0.39903E-02 -0.73236E-03 5803 0.170E-01 0.162E-01 RMM: 4 -0.328227404616E+03 0.21807E-03 -0.49167E-04 4539 0.508E-02 0.875E-02 RMM: 5 -0.328227363415E+03 0.41201E-04 -0.70266E-05 3431 0.230E-02 0.643E-02 RMM: 6 -0.328227340730E+03 0.22684E-04 -0.21015E-05 2556 0.146E-02 0.306E-02 RMM: 7 -0.328227342245E+03 -0.15143E-05 -0.12321E-05 2477 0.106E-02 5064 T= 5588. E= 0.67558285E+03 F= 0.62804165E+03 E0= 0.65663844E+03 EK= 0.45502E+02 SP= 0.18E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327229880621E+03 0.99746E+00 -0.98117E-02 7848 0.225E+01 0.168E-01 RMM: 2 -0.327240261021E+03 -0.10380E-01 -0.78536E-02 5134 0.636E-01 0.730E-01 RMM: 3 -0.327236254140E+03 0.40069E-02 -0.78789E-03 5886 0.171E-01 0.145E-01 RMM: 4 -0.327236052861E+03 0.20128E-03 -0.49289E-04 4471 0.504E-02 0.102E-01 RMM: 5 -0.327235991510E+03 0.61351E-04 -0.73099E-05 3479 0.242E-02 0.613E-02 RMM: 6 -0.327235972660E+03 0.18851E-04 -0.21301E-05 2565 0.143E-02 5065 T= 5507. E= 0.67558609E+03 F= 0.62903302E+03 E0= 0.65759956E+03 EK= 0.44847E+02 SP= 0.14E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326395221776E+03 0.84077E+00 -0.10048E-01 7800 0.223E+01 0.182E-01 RMM: 2 -0.326408671980E+03 -0.13450E-01 -0.91568E-02 5161 0.670E-01 0.895E-01 RMM: 3 -0.326402776701E+03 0.58953E-02 -0.94162E-03 5812 0.192E-01 0.187E-01 RMM: 4 -0.326402459163E+03 0.31754E-03 -0.62952E-04 4699 0.529E-02 0.871E-02 RMM: 5 -0.326402410065E+03 0.49098E-04 -0.67422E-05 3514 0.213E-02 0.686E-02 RMM: 6 -0.326402398111E+03 0.11954E-04 -0.18510E-05 2527 0.130E-02 5066 T= 5449. E= 0.67558973E+03 F= 0.62986659E+03 E0= 0.65840526E+03 EK= 0.44377E+02 SP= 0.94E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325764014376E+03 0.63840E+00 -0.10029E-01 8240 0.222E+01 0.301E-01 RMM: 2 -0.325791868842E+03 -0.27854E-01 -0.91511E-02 5214 0.685E-01 0.172E+00 RMM: 3 -0.325771021926E+03 0.20847E-01 -0.12905E-02 5385 0.265E-01 0.308E-01 RMM: 4 -0.325770316058E+03 0.70587E-03 -0.15175E-03 4699 0.803E-02 0.886E-02 RMM: 5 -0.325770278933E+03 0.37125E-04 -0.17024E-04 4213 0.282E-02 0.800E-02 RMM: 6 -0.325770249741E+03 0.29191E-04 -0.20200E-05 2577 0.137E-02 0.599E-02 RMM: 7 -0.325770258080E+03 -0.83390E-05 -0.22101E-05 2573 0.145E-02 5067 T= 5420. E= 0.67559300E+03 F= 0.63049873E+03 E0= 0.65901318E+03 EK= 0.44139E+02 SP= 0.48E+00 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325378774010E+03 0.39148E+00 -0.99428E-02 8392 0.222E+01 0.331E-01 RMM: 2 -0.325410817406E+03 -0.32043E-01 -0.97027E-02 5243 0.690E-01 0.189E+00 RMM: 3 -0.325385762617E+03 0.25055E-01 -0.14020E-02 5395 0.278E-01 0.289E-01 RMM: 4 -0.325385294025E+03 0.46859E-03 -0.18292E-03 4738 0.910E-02 0.164E-01 RMM: 5 -0.325385297061E+03 -0.30368E-05 -0.29236E-04 3900 0.414E-02 0.168E-01 RMM: 6 -0.325385101110E+03 0.19595E-03 -0.99513E-05 3730 0.291E-02 0.385E-02 RMM: 7 -0.325385097162E+03 0.39474E-05 -0.19719E-05 2565 0.132E-02 5068 T= 5425. E= 0.67559557E+03 F= 0.63088389E+03 E0= 0.65937918E+03 EK= 0.44182E+02 SP= -.34E-01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325276017943E+03 0.10908E+00 -0.10575E-01 8864 0.221E+01 0.228E-01 RMM: 2 -0.325295496887E+03 -0.19479E-01 -0.94587E-02 5378 0.646E-01 0.129E+00 RMM: 3 -0.325283454983E+03 0.12042E-01 -0.97804E-03 5394 0.221E-01 0.247E-01 RMM: 4 -0.325283044282E+03 0.41070E-03 -0.10937E-03 4887 0.643E-02 0.902E-02 RMM: 5 -0.325282983523E+03 0.60759E-04 -0.10974E-04 3799 0.256E-02 0.735E-02 RMM: 6 -0.325282954835E+03 0.28689E-04 -0.21299E-05 2576 0.137E-02 0.568E-02 RMM: 7 -0.325282949751E+03 0.50838E-05 -0.18651E-05 2537 0.130E-02 5069 T= 5470. E= 0.67559658E+03 F= 0.63098604E+03 E0= 0.65946731E+03 EK= 0.44542E+02 SP= -.58E+00 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325472541209E+03 -0.18959E+00 -0.10927E-01 8800 0.222E+01 0.192E-01 RMM: 2 -0.325487387498E+03 -0.14846E-01 -0.88981E-02 5331 0.637E-01 0.103E+00 RMM: 3 -0.325479593129E+03 0.77944E-02 -0.84974E-03 5537 0.194E-01 0.167E-01 RMM: 4 -0.325479392921E+03 0.20021E-03 -0.76033E-04 4803 0.549E-02 0.823E-02 RMM: 5 -0.325479359848E+03 0.33073E-04 -0.86655E-05 3611 0.235E-02 0.650E-02 RMM: 6 -0.325479337126E+03 0.22722E-04 -0.21319E-05 2562 0.137E-02 0.391E-02 RMM: 7 -0.325479340088E+03 -0.29621E-05 -0.13864E-05 2500 0.113E-02 5070 T= 5555. E= 0.67559551E+03 F= 0.63078965E+03 E0= 0.65926335E+03 EK= 0.45237E+02 SP= -.12E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325953375440E+03 -0.47404E+00 -0.11774E-01 8720 0.224E+01 0.173E-01 RMM: 2 -0.325966735708E+03 -0.13360E-01 -0.10354E-01 5249 0.684E-01 0.775E-01 RMM: 3 -0.325961833214E+03 0.49025E-02 -0.91298E-03 5714 0.194E-01 0.160E-01 RMM: 4 -0.325961650231E+03 0.18298E-03 -0.68285E-04 4619 0.547E-02 0.105E-01 RMM: 5 -0.325961584396E+03 0.65835E-04 -0.97942E-05 3662 0.251E-02 0.752E-02 RMM: 6 -0.325961551169E+03 0.33227E-04 -0.27281E-05 2703 0.162E-02 0.381E-02 RMM: 7 -0.325961548778E+03 0.23905E-05 -0.18770E-05 2529 0.126E-02 5071 T= 5680. E= 0.67559226E+03 F= 0.63030744E+03 E0= 0.65877937E+03 EK= 0.46257E+02 SP= -.18E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326676799343E+03 -0.71525E+00 -0.12228E-01 8840 0.227E+01 0.169E-01 RMM: 2 -0.326690341991E+03 -0.13543E-01 -0.10256E-01 5282 0.689E-01 0.799E-01 RMM: 3 -0.326685211502E+03 0.51305E-02 -0.87137E-03 5856 0.187E-01 0.158E-01 RMM: 4 -0.326684985013E+03 0.22649E-03 -0.57607E-04 4565 0.509E-02 0.857E-02 RMM: 5 -0.326684949609E+03 0.35404E-04 -0.79834E-05 3525 0.240E-02 0.666E-02 RMM: 6 -0.326684926864E+03 0.22745E-04 -0.22661E-05 2569 0.145E-02 0.424E-02 RMM: 7 -0.326684932523E+03 -0.56590E-05 -0.20138E-05 2554 0.132E-02 5072 T= 5840. E= 0.67558666E+03 F= 0.62958406E+03 E0= 0.65806061E+03 EK= 0.47558E+02 SP= -.25E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327564630895E+03 -0.87970E+00 -0.13146E-01 8576 0.230E+01 0.177E-01 RMM: 2 -0.327579615601E+03 -0.14985E-01 -0.12244E-01 5228 0.759E-01 0.753E-01 RMM: 3 -0.327574837829E+03 0.47778E-02 -0.10559E-02 5860 0.201E-01 0.166E-01 RMM: 4 -0.327574585925E+03 0.25190E-03 -0.66852E-04 4694 0.566E-02 0.101E-01 RMM: 5 -0.327574526747E+03 0.59178E-04 -0.98716E-05 3669 0.258E-02 0.708E-02 RMM: 6 -0.327574498988E+03 0.27758E-04 -0.25985E-05 2651 0.159E-02 0.343E-02 RMM: 7 -0.327574499978E+03 -0.98928E-06 -0.14153E-05 2491 0.116E-02 5073 T= 6025. E= 0.67558005E+03 F= 0.62869449E+03 E0= 0.65718194E+03 EK= 0.49064E+02 SP= -.31E+01 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328525065223E+03 -0.95057E+00 -0.13458E-01 8552 0.233E+01 0.177E-01 RMM: 2 -0.328541333827E+03 -0.16269E-01 -0.13294E-01 5150 0.797E-01 0.783E-01 RMM: 3 -0.328536294010E+03 0.50398E-02 -0.12187E-02 6006 0.210E-01 0.162E-01 RMM: 4 -0.328535972765E+03 0.32125E-03 -0.65340E-04 4690 0.572E-02 0.101E-01 RMM: 5 -0.328535912535E+03 0.60230E-04 -0.98808E-05 3634 0.270E-02 0.694E-02 RMM: 6 -0.328535888191E+03 0.24343E-04 -0.25574E-05 2614 0.154E-02 0.464E-02 RMM: 7 -0.328535888954E+03 -0.76298E-06 -0.26532E-05 2587 0.152E-02 5074 T= 6223. E= 0.67557297E+03 F= 0.62773310E+03 E0= 0.65623705E+03 EK= 0.50678E+02 SP= -.38E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329457407332E+03 -0.92152E+00 -0.13755E-01 8696 0.236E+01 0.192E-01 RMM: 2 -0.329473459480E+03 -0.16052E-01 -0.12930E-01 5249 0.772E-01 0.814E-01 RMM: 3 -0.329468026337E+03 0.54331E-02 -0.11432E-02 5971 0.210E-01 0.175E-01 RMM: 4 -0.329467751780E+03 0.27456E-03 -0.72656E-04 4740 0.586E-02 0.110E-01 RMM: 5 -0.329467676736E+03 0.75043E-04 -0.10563E-04 3680 0.259E-02 0.742E-02 RMM: 6 -0.329467648816E+03 0.27921E-04 -0.26015E-05 2656 0.159E-02 0.424E-02 RMM: 7 -0.329467649451E+03 -0.63539E-06 -0.19947E-05 2531 0.133E-02 5075 T= 6422. E= 0.67556671E+03 F= 0.62680134E+03 E0= 0.65532655E+03 EK= 0.52295E+02 SP= -.46E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330263317958E+03 -0.79567E+00 -0.14925E-01 8544 0.239E+01 0.190E-01 RMM: 2 -0.330282236912E+03 -0.18919E-01 -0.15455E-01 5217 0.842E-01 0.839E-01 RMM: 3 -0.330276340166E+03 0.58967E-02 -0.13757E-02 6071 0.221E-01 0.171E-01 RMM: 4 -0.330276004182E+03 0.33598E-03 -0.76698E-04 4734 0.631E-02 0.119E-01 RMM: 5 -0.330275920054E+03 0.84128E-04 -0.12060E-04 3763 0.283E-02 0.760E-02 RMM: 6 -0.330275892589E+03 0.27466E-04 -0.26366E-05 2687 0.158E-02 0.506E-02 RMM: 7 -0.330275892461E+03 0.12728E-06 -0.21490E-05 2554 0.138E-02 5076 T= 6608. E= 0.67556164E+03 F= 0.62599310E+03 E0= 0.65454273E+03 EK= 0.53815E+02 SP= -.53E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330871520663E+03 -0.59563E+00 -0.14870E-01 8600 0.241E+01 0.187E-01 RMM: 2 -0.330887975424E+03 -0.16455E-01 -0.13724E-01 5467 0.772E-01 0.784E-01 RMM: 3 -0.330882581376E+03 0.53940E-02 -0.10558E-02 5920 0.202E-01 0.173E-01 RMM: 4 -0.330882350895E+03 0.23048E-03 -0.72794E-04 4781 0.574E-02 0.117E-01 RMM: 5 -0.330882259433E+03 0.91463E-04 -0.10089E-04 3663 0.252E-02 0.729E-02 RMM: 6 -0.330882236862E+03 0.22571E-04 -0.24478E-05 2605 0.152E-02 0.512E-02 RMM: 7 -0.330882233321E+03 0.35407E-05 -0.30102E-05 2648 0.154E-02 5077 T= 6772. E= 0.67555759E+03 F= 0.62538676E+03 E0= 0.65396216E+03 EK= 0.55148E+02 SP= -.60E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331217212335E+03 -0.33498E+00 -0.15175E-01 8752 0.243E+01 0.185E-01 RMM: 2 -0.331233902722E+03 -0.16690E-01 -0.13832E-01 5544 0.758E-01 0.793E-01 RMM: 3 -0.331228054237E+03 0.58485E-02 -0.10046E-02 6110 0.194E-01 0.166E-01 RMM: 4 -0.331227839433E+03 0.21480E-03 -0.75085E-04 4688 0.597E-02 0.124E-01 RMM: 5 -0.331227741609E+03 0.97824E-04 -0.11404E-04 3717 0.271E-02 0.758E-02 RMM: 6 -0.331227715076E+03 0.26534E-04 -0.25468E-05 2672 0.156E-02 0.507E-02 RMM: 7 -0.331227713832E+03 0.12437E-05 -0.22293E-05 2565 0.135E-02 5078 T= 6904. E= 0.67555451E+03 F= 0.62504128E+03 E0= 0.65364017E+03 EK= 0.56226E+02 SP= -.67E+01 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331260105813E+03 -0.32391E-01 -0.15599E-01 8832 0.244E+01 0.175E-01 RMM: 2 -0.331277025186E+03 -0.16919E-01 -0.14502E-01 5506 0.774E-01 0.740E-01 RMM: 3 -0.331271748103E+03 0.52771E-02 -0.10917E-02 5864 0.206E-01 0.172E-01 RMM: 4 -0.331271542576E+03 0.20553E-03 -0.78037E-04 4805 0.577E-02 0.112E-01 RMM: 5 -0.331271454461E+03 0.88115E-04 -0.10535E-04 3678 0.255E-02 0.711E-02 RMM: 6 -0.331271434416E+03 0.20046E-04 -0.25707E-05 2595 0.149E-02 0.537E-02 RMM: 7 -0.331271428336E+03 0.60795E-05 -0.34896E-05 2677 0.163E-02 5079 T= 6999. E= 0.67555259E+03 F= 0.62499756E+03 E0= 0.65361519E+03 EK= 0.57000E+02 SP= -.74E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330976312289E+03 0.29512E+00 -0.16824E-01 8672 0.244E+01 0.174E-01 RMM: 2 -0.330995019658E+03 -0.18707E-01 -0.16315E-01 5472 0.825E-01 0.738E-01 RMM: 3 -0.330989644075E+03 0.53756E-02 -0.12469E-02 6090 0.212E-01 0.160E-01 RMM: 4 -0.330989406947E+03 0.23713E-03 -0.78176E-04 4749 0.610E-02 0.117E-01 RMM: 5 -0.330989321088E+03 0.85860E-04 -0.11422E-04 3700 0.275E-02 0.735E-02 RMM: 6 -0.330989299023E+03 0.22065E-04 -0.28343E-05 2640 0.158E-02 0.512E-02 RMM: 7 -0.330989300841E+03 -0.18188E-05 -0.24893E-05 2599 0.144E-02 5080 T= 7053. E= 0.67555204E+03 F= 0.62527969E+03 E0= 0.65390768E+03 EK= 0.57436E+02 SP= -.80E+01 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330359361933E+03 0.62994E+00 -0.17268E-01 8784 0.244E+01 0.163E-01 RMM: 2 -0.330377609875E+03 -0.18248E-01 -0.16496E-01 5592 0.831E-01 0.663E-01 RMM: 3 -0.330373138234E+03 0.44716E-02 -0.11763E-02 5807 0.217E-01 0.149E-01 RMM: 4 -0.330372979806E+03 0.15843E-03 -0.76098E-04 4813 0.567E-02 0.117E-01 RMM: 5 -0.330372888944E+03 0.90861E-04 -0.10355E-04 3617 0.271E-02 0.667E-02 RMM: 6 -0.330372874678E+03 0.14267E-04 -0.28659E-05 2587 0.152E-02 5081 T= 7063. E= 0.67555280E+03 F= 0.62589611E+03 E0= 0.65452417E+03 EK= 0.57519E+02 SP= -.87E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329415066796E+03 0.95782E+00 -0.17624E-01 8776 0.244E+01 0.201E-01 RMM: 2 -0.329438580189E+03 -0.23513E-01 -0.17311E-01 5676 0.845E-01 0.102E+00 RMM: 3 -0.329429467618E+03 0.91126E-02 -0.12418E-02 5506 0.236E-01 0.211E-01 RMM: 4 -0.329429137580E+03 0.33004E-03 -0.10106E-03 4943 0.638E-02 0.917E-02 RMM: 5 -0.329429088938E+03 0.48642E-04 -0.10787E-04 3908 0.258E-02 0.764E-02 RMM: 6 -0.329429074941E+03 0.13997E-04 -0.27238E-05 2571 0.154E-02 5082 T= 7031. E= 0.67555478E+03 F= 0.62683991E+03 E0= 0.65545687E+03 EK= 0.57252E+02 SP= -.93E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328170544841E+03 0.12585E+01 -0.17683E-01 8632 0.243E+01 0.345E-01 RMM: 2 -0.328213055256E+03 -0.42510E-01 -0.18070E-01 5323 0.901E-01 0.197E+00 RMM: 3 -0.328184669663E+03 0.28386E-01 -0.18189E-02 5441 0.305E-01 0.346E-01 RMM: 4 -0.328183756641E+03 0.91302E-03 -0.20706E-03 4972 0.937E-02 0.998E-02 RMM: 5 -0.328183727625E+03 0.29016E-04 -0.26244E-04 4828 0.311E-02 0.986E-02 RMM: 6 -0.328183682908E+03 0.44717E-04 -0.29617E-05 2679 0.169E-02 0.673E-02 RMM: 7 -0.328183713492E+03 -0.30584E-04 -0.44061E-05 3088 0.187E-02 0.969E-02 RMM: 8 -0.328183670148E+03 0.43344E-04 -0.13311E-04 3892 0.244E-02 0.486E-02 RMM: 9 -0.328183659048E+03 0.11100E-04 -0.21646E-05 2603 0.129E-02 5083 T= 6958. E= 0.67555872E+03 F= 0.62808533E+03 E0= 0.65668136E+03 EK= 0.56659E+02 SP= -.99E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326671920939E+03 0.15117E+01 -0.17916E-01 8784 0.242E+01 0.273E-01 RMM: 2 -0.326703071934E+03 -0.31151E-01 -0.18638E-01 5610 0.872E-01 0.143E+00 RMM: 3 -0.326686898830E+03 0.16173E-01 -0.14471E-02 5414 0.275E-01 0.276E-01 RMM: 4 -0.326686561887E+03 0.33694E-03 -0.18469E-03 5102 0.942E-02 0.192E-01 RMM: 5 -0.326686466542E+03 0.95346E-04 -0.29698E-04 3922 0.434E-02 0.153E-01 RMM: 6 -0.326686313998E+03 0.15254E-03 -0.87210E-05 3616 0.271E-02 0.433E-02 RMM: 7 -0.326686333677E+03 -0.19680E-04 -0.34119E-05 2881 0.170E-02 5084 T= 6851. E= 0.67556492E+03 F= 0.62958266E+03 E0= 0.65814819E+03 EK= 0.55789E+02 SP= -.10E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324995896622E+03 0.16904E+01 -0.17657E-01 8832 0.241E+01 0.213E-01 RMM: 2 -0.325021441686E+03 -0.25545E-01 -0.18285E-01 5489 0.891E-01 0.112E+00 RMM: 3 -0.325010965335E+03 0.10476E-01 -0.13977E-02 5708 0.239E-01 0.192E-01 RMM: 4 -0.325010593857E+03 0.37148E-03 -0.97888E-04 4913 0.655E-02 0.985E-02 RMM: 5 -0.325010547666E+03 0.46191E-04 -0.11817E-04 3967 0.271E-02 0.822E-02 RMM: 6 -0.325010514276E+03 0.33390E-04 -0.26505E-05 2626 0.155E-02 0.540E-02 RMM: 7 -0.325010526342E+03 -0.12066E-04 -0.53124E-05 3243 0.198E-02 5085 T= 6719. E= 0.67557237E+03 F= 0.63125846E+03 E0= 0.65978806E+03 EK= 0.54717E+02 SP= -.11E+02 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323239592365E+03 0.17709E+01 -0.16988E-01 8568 0.239E+01 0.221E-01 RMM: 2 -0.323265035723E+03 -0.25443E-01 -0.18398E-01 5416 0.907E-01 0.111E+00 RMM: 3 -0.323254635093E+03 0.10401E-01 -0.14308E-02 5819 0.239E-01 0.160E-01 RMM: 4 -0.323254374067E+03 0.26103E-03 -0.96675E-04 4885 0.665E-02 0.125E-01 RMM: 5 -0.323254274189E+03 0.99878E-04 -0.12778E-04 3821 0.284E-02 0.692E-02 RMM: 6 -0.323254253310E+03 0.20879E-04 -0.24975E-05 2612 0.151E-02 0.500E-02 RMM: 7 -0.323254253891E+03 -0.58108E-06 -0.25865E-05 2589 0.154E-02 5086 T= 6575. E= 0.67558077E+03 F= 0.63301474E+03 E0= 0.66150550E+03 EK= 0.53544E+02 SP= -.12E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321523663690E+03 0.17306E+01 -0.16784E-01 8792 0.238E+01 0.185E-01 RMM: 2 -0.321544626917E+03 -0.20963E-01 -0.17435E-01 5388 0.902E-01 0.836E-01 RMM: 3 -0.321538475268E+03 0.61516E-02 -0.13936E-02 5941 0.227E-01 0.174E-01 RMM: 4 -0.321538130957E+03 0.34431E-03 -0.78628E-04 4823 0.626E-02 0.114E-01 RMM: 5 -0.321538056344E+03 0.74613E-04 -0.10769E-04 3722 0.271E-02 0.785E-02 RMM: 6 -0.321538031218E+03 0.25125E-04 -0.25335E-05 2597 0.153E-02 0.569E-02 RMM: 7 -0.321538033232E+03 -0.20138E-05 -0.43486E-05 2983 0.189E-02 5087 T= 6434. E= 0.67559046E+03 F= 0.63473096E+03 E0= 0.66318403E+03 EK= 0.52398E+02 SP= -.12E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319982601210E+03 0.15554E+01 -0.14554E-01 8768 0.236E+01 0.191E-01 RMM: 2 -0.320000256749E+03 -0.17656E-01 -0.14745E-01 5382 0.829E-01 0.799E-01 RMM: 3 -0.319994772691E+03 0.54841E-02 -0.11713E-02 6099 0.209E-01 0.180E-01 RMM: 4 -0.319994461062E+03 0.31163E-03 -0.71010E-04 4737 0.608E-02 0.118E-01 RMM: 5 -0.319994379880E+03 0.81182E-04 -0.10473E-04 3670 0.262E-02 0.762E-02 RMM: 6 -0.319994358539E+03 0.21341E-04 -0.22925E-05 2583 0.149E-02 0.544E-02 RMM: 7 -0.319994364236E+03 -0.56966E-05 -0.26679E-05 2635 0.148E-02 5088 T= 6314. E= 0.67559989E+03 F= 0.63627463E+03 E0= 0.66469371E+03 EK= 0.51416E+02 SP= -.13E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318742134181E+03 0.12522E+01 -0.12895E-01 8600 0.235E+01 0.194E-01 RMM: 2 -0.318758523436E+03 -0.16389E-01 -0.12766E-01 5420 0.782E-01 0.855E-01 RMM: 3 -0.318752696297E+03 0.58271E-02 -0.10471E-02 5916 0.202E-01 0.172E-01 RMM: 4 -0.318752429928E+03 0.26637E-03 -0.70550E-04 4750 0.585E-02 0.115E-01 RMM: 5 -0.318752351609E+03 0.78320E-04 -0.97391E-05 3646 0.259E-02 0.712E-02 RMM: 6 -0.318752331098E+03 0.20511E-04 -0.24276E-05 2611 0.152E-02 0.523E-02 RMM: 7 -0.318752331805E+03 -0.70676E-06 -0.23903E-05 2589 0.144E-02 5089 T= 6230. E= 0.67560761E+03 F= 0.63751666E+03 E0= 0.66590839E+03 EK= 0.50731E+02 SP= -.13E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317909691157E+03 0.84264E+00 -0.11968E-01 8104 0.235E+01 0.179E-01 RMM: 2 -0.317923934168E+03 -0.14243E-01 -0.11453E-01 5337 0.757E-01 0.785E-01 RMM: 3 -0.317919239742E+03 0.46944E-02 -0.10289E-02 5921 0.197E-01 0.170E-01 RMM: 4 -0.317918960852E+03 0.27889E-03 -0.64183E-04 4770 0.551E-02 0.101E-01 RMM: 5 -0.317918899836E+03 0.61016E-04 -0.86903E-05 3642 0.240E-02 0.731E-02 RMM: 6 -0.317918877938E+03 0.21898E-04 -0.22013E-05 2563 0.145E-02 0.531E-02 RMM: 7 -0.317918876430E+03 0.15077E-05 -0.22818E-05 2582 0.139E-02 5090 T= 6196. E= 0.67561258E+03 F= 0.63835011E+03 E0= 0.66672286E+03 EK= 0.50457E+02 SP= -.14E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317553546487E+03 0.36533E+00 -0.11202E-01 7736 0.235E+01 0.192E-01 RMM: 2 -0.317565849236E+03 -0.12303E-01 -0.86902E-02 5291 0.679E-01 0.862E-01 RMM: 3 -0.317560465943E+03 0.53833E-02 -0.81194E-03 5766 0.187E-01 0.168E-01 RMM: 4 -0.317560247718E+03 0.21823E-03 -0.63991E-04 4718 0.542E-02 0.977E-02 RMM: 5 -0.317560192997E+03 0.54721E-04 -0.89130E-05 3626 0.245E-02 0.711E-02 RMM: 6 -0.317560165721E+03 0.27276E-04 -0.24233E-05 2627 0.154E-02 0.404E-02 RMM: 7 -0.317560166045E+03 -0.32382E-06 -0.16896E-05 2513 0.123E-02 5091 T= 6221. E= 0.67561378E+03 F= 0.63870882E+03 E0= 0.66707184E+03 EK= 0.50664E+02 SP= -.14E+02 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317680137957E+03 -0.11997E+00 -0.11649E-01 7720 0.237E+01 0.176E-01 RMM: 2 -0.317692600274E+03 -0.12462E-01 -0.95893E-02 5048 0.734E-01 0.796E-01 RMM: 3 -0.317688133660E+03 0.44666E-02 -0.99872E-03 5819 0.196E-01 0.172E-01 RMM: 4 -0.317687848913E+03 0.28475E-03 -0.59580E-04 4751 0.545E-02 0.913E-02 RMM: 5 -0.317687797907E+03 0.51006E-04 -0.94592E-05 3649 0.265E-02 0.686E-02 RMM: 6 -0.317687771549E+03 0.26359E-04 -0.25957E-05 2618 0.155E-02 0.418E-02 RMM: 7 -0.317687768037E+03 0.35114E-05 -0.22510E-05 2522 0.143E-02 5092 T= 6308. E= 0.67561092E+03 F= 0.63858122E+03 E0= 0.66694410E+03 EK= 0.51369E+02 SP= -.15E+02 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318252089566E+03 -0.56432E+00 -0.11184E-01 7712 0.241E+01 0.185E-01 RMM: 2 -0.318263289000E+03 -0.11199E-01 -0.84181E-02 5095 0.703E-01 0.805E-01 RMM: 3 -0.318258947775E+03 0.43412E-02 -0.89309E-03 5770 0.190E-01 0.151E-01 RMM: 4 -0.318258748244E+03 0.19953E-03 -0.57084E-04 4693 0.529E-02 0.104E-01 RMM: 5 -0.318258679249E+03 0.68995E-04 -0.91614E-05 3618 0.262E-02 0.674E-02 RMM: 6 -0.318258654611E+03 0.24638E-04 -0.24453E-05 2566 0.151E-02 0.385E-02 RMM: 7 -0.318258650969E+03 0.36429E-05 -0.17756E-05 2500 0.129E-02 5093 T= 6451. E= 0.67560527E+03 F= 0.63801034E+03 E0= 0.66638206E+03 EK= 0.52533E+02 SP= -.16E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319182056839E+03 -0.92340E+00 -0.11460E-01 7624 0.244E+01 0.182E-01 RMM: 2 -0.319193708158E+03 -0.11651E-01 -0.88135E-02 5213 0.710E-01 0.805E-01 RMM: 3 -0.319189300356E+03 0.44078E-02 -0.86374E-03 5829 0.181E-01 0.181E-01 RMM: 4 -0.319189017619E+03 0.28274E-03 -0.55844E-04 4657 0.548E-02 0.104E-01 RMM: 5 -0.319188934392E+03 0.83227E-04 -0.10079E-04 3715 0.266E-02 0.681E-02 RMM: 6 -0.319188912109E+03 0.22283E-04 -0.24177E-05 2586 0.150E-02 0.479E-02 RMM: 7 -0.319188899917E+03 0.12192E-04 -0.27344E-05 2545 0.152E-02 5094 T= 6640. E= 0.67559757E+03 F= 0.63708009E+03 E0= 0.66546771E+03 EK= 0.54071E+02 SP= -.16E+02 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320360240196E+03 -0.11713E+01 -0.12433E-01 7800 0.249E+01 0.189E-01 RMM: 2 -0.320373374989E+03 -0.13135E-01 -0.10648E-01 5076 0.779E-01 0.794E-01 RMM: 3 -0.320369143979E+03 0.42310E-02 -0.11554E-02 5911 0.204E-01 0.165E-01 RMM: 4 -0.320368849374E+03 0.29461E-03 -0.65085E-04 4735 0.588E-02 0.119E-01 RMM: 5 -0.320368745373E+03 0.10400E-03 -0.11314E-04 3747 0.287E-02 0.684E-02 RMM: 6 -0.320368725800E+03 0.19572E-04 -0.24816E-05 2562 0.148E-02 5095 T= 6861. E= 0.67558917E+03 F= 0.63590026E+03 E0= 0.66430891E+03 EK= 0.55872E+02 SP= -.17E+02 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321669655904E+03 -0.13009E+01 -0.12915E-01 8056 0.253E+01 0.186E-01 RMM: 2 -0.321683524514E+03 -0.13869E-01 -0.98979E-02 5291 0.726E-01 0.892E-01 RMM: 3 -0.321677836084E+03 0.56884E-02 -0.93066E-03 5653 0.195E-01 0.184E-01 RMM: 4 -0.321677565910E+03 0.27017E-03 -0.65413E-04 4768 0.546E-02 0.100E-01 RMM: 5 -0.321677480961E+03 0.84948E-04 -0.90882E-05 3705 0.245E-02 0.724E-02 RMM: 6 -0.321677465820E+03 0.15141E-04 -0.21949E-05 2550 0.137E-02 5096 T= 7099. E= 0.67558072E+03 F= 0.63459152E+03 E0= 0.66302509E+03 EK= 0.57808E+02 SP= -.17E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322984423932E+03 -0.13069E+01 -0.13020E-01 8080 0.258E+01 0.296E-01 RMM: 2 -0.323010120345E+03 -0.25696E-01 -0.10492E-01 5281 0.782E-01 0.161E+00 RMM: 3 -0.322992493107E+03 0.17627E-01 -0.12730E-02 5401 0.262E-01 0.296E-01 RMM: 4 -0.322991856780E+03 0.63633E-03 -0.14707E-03 4693 0.811E-02 0.955E-02 RMM: 5 -0.322991789946E+03 0.66835E-04 -0.17221E-04 3951 0.316E-02 0.845E-02 RMM: 6 -0.322991756870E+03 0.33075E-04 -0.31141E-05 2646 0.173E-02 0.586E-02 RMM: 7 -0.322991755085E+03 0.17852E-05 -0.39759E-05 2781 0.181E-02 5097 T= 7337. E= 0.67557204E+03 F= 0.63327723E+03 E0= 0.66173949E+03 EK= 0.59745E+02 SP= -.18E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324184569035E+03 -0.11928E+01 -0.13144E-01 7880 0.262E+01 0.269E-01 RMM: 2 -0.324204071024E+03 -0.19502E-01 -0.11157E-01 5227 0.788E-01 0.125E+00 RMM: 3 -0.324193469563E+03 0.10601E-01 -0.12204E-02 5484 0.243E-01 0.310E-01 RMM: 4 -0.324192886516E+03 0.58305E-03 -0.14288E-03 4749 0.832E-02 0.142E-01 RMM: 5 -0.324192785291E+03 0.10123E-03 -0.24299E-04 3892 0.404E-02 0.105E-01 RMM: 6 -0.324192711954E+03 0.73337E-04 -0.54885E-05 3272 0.220E-02 0.422E-02 RMM: 7 -0.324192709701E+03 0.22529E-05 -0.20318E-05 2522 0.136E-02 5098 T= 7559. E= 0.67556385E+03 F= 0.63207628E+03 E0= 0.66056986E+03 EK= 0.61553E+02 SP= -.19E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325162096154E+03 -0.96938E+00 -0.13684E-01 8016 0.265E+01 0.207E-01 RMM: 2 -0.325179472207E+03 -0.17376E-01 -0.11792E-01 5120 0.791E-01 0.104E+00 RMM: 3 -0.325171964973E+03 0.75072E-02 -0.12145E-02 5708 0.223E-01 0.205E-01 RMM: 4 -0.325171602541E+03 0.36243E-03 -0.83184E-04 4765 0.623E-02 0.105E-01 RMM: 5 -0.325171512861E+03 0.89680E-04 -0.12518E-04 3847 0.296E-02 0.739E-02 RMM: 6 -0.325171486022E+03 0.26839E-04 -0.30698E-05 2674 0.164E-02 0.539E-02 RMM: 7 -0.325171471970E+03 0.14051E-04 -0.37452E-05 2664 0.169E-02 5099 T= 7750. E= 0.67555709E+03 F= 0.63109752E+03 E0= 0.65962591E+03 EK= 0.63110E+02 SP= -.19E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325824219574E+03 -0.65273E+00 -0.14133E-01 7952 0.268E+01 0.195E-01 RMM: 2 -0.325840680256E+03 -0.16461E-01 -0.12289E-01 5007 0.808E-01 0.922E-01 RMM: 3 -0.325834513336E+03 0.61669E-02 -0.12832E-02 5895 0.222E-01 0.177E-01 RMM: 4 -0.325834171792E+03 0.34154E-03 -0.75549E-04 4681 0.621E-02 0.106E-01 RMM: 5 -0.325834098748E+03 0.73045E-04 -0.11861E-04 3763 0.299E-02 0.656E-02 RMM: 6 -0.325834076930E+03 0.21818E-04 -0.28297E-05 2698 0.158E-02 0.478E-02 RMM: 7 -0.325834069357E+03 0.75730E-05 -0.29107E-05 2599 0.162E-02 5100 T= 7897. E= 0.67555144E+03 F= 0.63043492E+03 E0= 0.65900223E+03 EK= 0.64307E+02 SP= -.20E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326094995456E+03 -0.26092E+00 -0.15402E-01 7968 0.270E+01 0.165E-01 RMM: 2 -0.326112938397E+03 -0.17943E-01 -0.15814E-01 4864 0.920E-01 0.715E-01 RMM: 3 -0.326108822341E+03 0.41161E-02 -0.16960E-02 6153 0.236E-01 0.152E-01 RMM: 4 -0.326108453136E+03 0.36921E-03 -0.75473E-04 4748 0.670E-02 0.121E-01 RMM: 5 -0.326108349140E+03 0.10400E-03 -0.11708E-04 3738 0.309E-02 0.650E-02 RMM: 6 -0.326108330223E+03 0.18917E-04 -0.27201E-05 2592 0.154E-02 5101 T= 7989. E= 0.67554852E+03 F= 0.63016066E+03 E0= 0.65877019E+03 EK= 0.65061E+02 SP= -.20E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325942965819E+03 0.16538E+00 -0.15345E-01 7856 0.272E+01 0.171E-01 RMM: 2 -0.325962206589E+03 -0.19241E-01 -0.13086E-01 5118 0.806E-01 0.102E+00 RMM: 3 -0.325953846250E+03 0.83603E-02 -0.12288E-02 5620 0.227E-01 0.144E-01 RMM: 4 -0.325953629376E+03 0.21687E-03 -0.74947E-04 5040 0.565E-02 0.945E-02 RMM: 5 -0.325953570587E+03 0.58789E-04 -0.78533E-05 3613 0.258E-02 0.692E-02 RMM: 6 -0.325953562050E+03 0.85372E-05 -0.27187E-05 2571 0.155E-02 5102 T= 8022. E= 0.67554881E+03 F= 0.63031543E+03 E0= 0.65896996E+03 EK= 0.65324E+02 SP= -.20E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325354473548E+03 0.59910E+00 -0.15945E-01 7688 0.272E+01 0.334E-01 RMM: 2 -0.325392290952E+03 -0.37817E-01 -0.15763E-01 4887 0.939E-01 0.189E+00 RMM: 3 -0.325367313378E+03 0.24978E-01 -0.20468E-02 5414 0.326E-01 0.342E-01 RMM: 4 -0.325366441623E+03 0.87176E-03 -0.20725E-03 5151 0.928E-02 0.985E-02 RMM: 5 -0.325366418330E+03 0.23293E-04 -0.23379E-04 3976 0.338E-02 0.994E-02 RMM: 6 -0.325366359412E+03 0.58918E-04 -0.43500E-05 3084 0.197E-02 0.497E-02 RMM: 7 -0.325366369340E+03 -0.99283E-05 -0.21904E-05 2542 0.140E-02 5103 T= 7992. E= 0.67555200E+03 F= 0.63090262E+03 E0= 0.65960202E+03 EK= 0.65085E+02 SP= -.21E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324377227359E+03 0.98913E+00 -0.14756E-01 7936 0.271E+01 0.312E-01 RMM: 2 -0.324407706835E+03 -0.30479E-01 -0.12914E-01 4977 0.820E-01 0.170E+00 RMM: 3 -0.324387445728E+03 0.20261E-01 -0.16503E-02 5382 0.302E-01 0.346E-01 RMM: 4 -0.324386654625E+03 0.79110E-03 -0.18793E-03 5091 0.904E-02 0.122E-01 RMM: 5 -0.324386659250E+03 -0.46250E-05 -0.26399E-04 3908 0.394E-02 0.136E-01 RMM: 6 -0.324386535528E+03 0.12372E-03 -0.77542E-05 3490 0.259E-02 0.409E-02 RMM: 7 -0.324386535098E+03 0.43042E-06 -0.17147E-05 2532 0.122E-02 5104 T= 7906. E= 0.67555886E+03 F= 0.63188245E+03 E0= 0.66062318E+03 EK= 0.64385E+02 SP= -.21E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323085100185E+03 0.13014E+01 -0.14789E-01 7712 0.269E+01 0.270E-01 RMM: 2 -0.323110819737E+03 -0.25720E-01 -0.13611E-01 4925 0.857E-01 0.145E+00 RMM: 3 -0.323096188538E+03 0.14631E-01 -0.16049E-02 5485 0.281E-01 0.266E-01 RMM: 4 -0.323095687732E+03 0.50081E-03 -0.13769E-03 4892 0.757E-02 0.106E-01 RMM: 5 -0.323095635742E+03 0.51990E-04 -0.17059E-04 3893 0.342E-02 0.936E-02 RMM: 6 -0.323095580114E+03 0.55628E-04 -0.42356E-05 3053 0.193E-02 0.479E-02 RMM: 7 -0.323095584747E+03 -0.46324E-05 -0.29792E-05 2618 0.165E-02 5105 T= 7774. E= 0.67556823E+03 F= 0.63317340E+03 E0= 0.66194946E+03 EK= 0.63308E+02 SP= -.21E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321596723873E+03 0.14989E+01 -0.14071E-01 7616 0.266E+01 0.219E-01 RMM: 2 -0.321614497434E+03 -0.17774E-01 -0.12265E-01 4940 0.820E-01 0.103E+00 RMM: 3 -0.321606974272E+03 0.75232E-02 -0.13641E-02 5746 0.239E-01 0.205E-01 RMM: 4 -0.321606629676E+03 0.34460E-03 -0.93371E-04 4724 0.689E-02 0.121E-01 RMM: 5 -0.321606558499E+03 0.71177E-04 -0.14088E-04 3819 0.313E-02 0.867E-02 RMM: 6 -0.321606513018E+03 0.45481E-04 -0.35220E-05 2948 0.182E-02 0.396E-02 RMM: 7 -0.321606513215E+03 -0.19701E-06 -0.16025E-05 2503 0.126E-02 5106 T= 7610. E= 0.67557920E+03 F= 0.63466248E+03 E0= 0.66346472E+03 EK= 0.61973E+02 SP= -.21E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320041608746E+03 0.15649E+01 -0.14455E-01 7744 0.263E+01 0.221E-01 RMM: 2 -0.320062315789E+03 -0.20707E-01 -0.14985E-01 4807 0.912E-01 0.105E+00 RMM: 3 -0.320054485416E+03 0.78304E-02 -0.17380E-02 5741 0.260E-01 0.201E-01 RMM: 4 -0.320054080142E+03 0.40527E-03 -0.10536E-03 4853 0.717E-02 0.119E-01 RMM: 5 -0.320054001973E+03 0.78169E-04 -0.15247E-04 3917 0.320E-02 0.879E-02 RMM: 6 -0.320053955439E+03 0.46535E-04 -0.38834E-05 2981 0.184E-02 0.473E-02 RMM: 7 -0.320053955239E+03 0.19920E-06 -0.25397E-05 2562 0.154E-02 5107 T= 7432. E= 0.67559015E+03 F= 0.63621503E+03 E0= 0.66503371E+03 EK= 0.60522E+02 SP= -.21E+02 SK= 0.73E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318563651697E+03 0.14903E+01 -0.13919E-01 7680 0.259E+01 0.235E-01 RMM: 2 -0.318585751428E+03 -0.22100E-01 -0.14590E-01 4846 0.913E-01 0.117E+00 RMM: 3 -0.318576180653E+03 0.95708E-02 -0.17115E-02 5706 0.259E-01 0.227E-01 RMM: 4 -0.318575707654E+03 0.47300E-03 -0.11331E-03 4835 0.747E-02 0.114E-01 RMM: 5 -0.318575646231E+03 0.61424E-04 -0.16620E-04 3958 0.324E-02 0.887E-02 RMM: 6 -0.318575598927E+03 0.47304E-04 -0.39435E-05 3020 0.185E-02 0.424E-02 RMM: 7 -0.318575600792E+03 -0.18648E-05 -0.19969E-05 2523 0.137E-02 5108 T= 7258. E= 0.67560025E+03 F= 0.63769339E+03 E0= 0.66651884E+03 EK= 0.59102E+02 SP= -.21E+02 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317285592775E+03 0.12900E+01 -0.13104E-01 7656 0.256E+01 0.237E-01 RMM: 2 -0.317304852559E+03 -0.19260E-01 -0.12392E-01 4912 0.843E-01 0.114E+00 RMM: 3 -0.317295872701E+03 0.89799E-02 -0.14101E-02 5594 0.247E-01 0.234E-01 RMM: 4 -0.317295454640E+03 0.41806E-03 -0.10876E-03 4764 0.719E-02 0.109E-01 RMM: 5 -0.317295404191E+03 0.50449E-04 -0.16621E-04 3896 0.323E-02 0.100E-01 RMM: 6 -0.317295341408E+03 0.62782E-04 -0.45605E-05 3117 0.198E-02 0.425E-02 RMM: 7 -0.317295339526E+03 0.18828E-05 -0.18693E-05 2516 0.131E-02 5109 T= 7103. E= 0.67560828E+03 F= 0.63897365E+03 E0= 0.66779758E+03 EK= 0.57845E+02 SP= -.21E+02 SK= 0.75E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.316299355446E+03 0.99599E+00 -0.13177E-01 7664 0.253E+01 0.236E-01 RMM: 2 -0.316319062848E+03 -0.19707E-01 -0.12301E-01 4919 0.845E-01 0.118E+00 RMM: 3 -0.316309744257E+03 0.93186E-02 -0.14279E-02 5601 0.245E-01 0.236E-01 RMM: 4 -0.316309280844E+03 0.46341E-03 -0.10453E-03 4766 0.698E-02 0.982E-02 RMM: 5 -0.316309235815E+03 0.45029E-04 -0.15079E-04 3916 0.311E-02 0.868E-02 RMM: 6 -0.316309188102E+03 0.47714E-04 -0.34278E-05 2906 0.174E-02 0.425E-02 RMM: 7 -0.316309186922E+03 0.11797E-05 -0.21404E-05 2521 0.140E-02 5110 T= 6982. E= 0.67561365E+03 F= 0.63995980E+03 E0= 0.66877563E+03 EK= 0.56854E+02 SP= -.21E+02 SK= 0.71E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.315670393675E+03 0.63879E+00 -0.12598E-01 7552 0.250E+01 0.229E-01 RMM: 2 -0.315687280189E+03 -0.16887E-01 -0.11152E-01 4977 0.807E-01 0.106E+00 RMM: 3 -0.315679648473E+03 0.76317E-02 -0.12637E-02 5553 0.234E-01 0.233E-01 RMM: 4 -0.315679221196E+03 0.42728E-03 -0.96975E-04 4719 0.673E-02 0.944E-02 RMM: 5 -0.315679186640E+03 0.34556E-04 -0.14651E-04 3862 0.308E-02 0.944E-02 RMM: 6 -0.315679130671E+03 0.55969E-04 -0.38902E-05 3036 0.185E-02 0.397E-02 RMM: 7 -0.315679128870E+03 0.18010E-05 -0.18597E-05 2515 0.131E-02 5111 T= 6901. E= 0.67561586E+03 F= 0.64058986E+03 E0= 0.66939416E+03 EK= 0.56196E+02 SP= -.21E+02 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315420105569E+03 0.25903E+00 -0.12725E-01 7664 0.249E+01 0.236E-01 RMM: 2 -0.315439803535E+03 -0.19698E-01 -0.12292E-01 4974 0.834E-01 0.118E+00 RMM: 3 -0.315430378966E+03 0.94246E-02 -0.13729E-02 5604 0.241E-01 0.236E-01 RMM: 4 -0.315429918542E+03 0.46042E-03 -0.10274E-03 4731 0.685E-02 0.996E-02 RMM: 5 -0.315429871550E+03 0.46992E-04 -0.15098E-04 3889 0.309E-02 0.887E-02 RMM: 6 -0.315429820891E+03 0.50660E-04 -0.35769E-05 2948 0.177E-02 0.429E-02 RMM: 7 -0.315429818652E+03 0.22388E-05 -0.26664E-05 2569 0.152E-02 5112 T= 6865. E= 0.67561573E+03 F= 0.64083917E+03 E0= 0.66963068E+03 EK= 0.55901E+02 SP= -.21E+02 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315544529428E+03 -0.11471E+00 -0.12452E-01 7600 0.248E+01 0.219E-01 RMM: 2 -0.315561697197E+03 -0.17168E-01 -0.12140E-01 5043 0.819E-01 0.101E+00 RMM: 3 -0.315554661817E+03 0.70354E-02 -0.12917E-02 5669 0.227E-01 0.225E-01 RMM: 4 -0.315554220973E+03 0.44084E-03 -0.90581E-04 4772 0.652E-02 0.910E-02 RMM: 5 -0.315554174465E+03 0.46508E-04 -0.13314E-04 3832 0.284E-02 0.849E-02 RMM: 6 -0.315554133031E+03 0.41434E-04 -0.32559E-05 2884 0.171E-02 0.424E-02 RMM: 7 -0.315554132402E+03 0.62827E-06 -0.20877E-05 2541 0.136E-02 5113 T= 6872. E= 0.67561327E+03 F= 0.64071486E+03 E0= 0.66949472E+03 EK= 0.55962E+02 SP= -.21E+02 SK= 0.84E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316007199367E+03 -0.45307E+00 -0.12156E-01 7808 0.248E+01 0.222E-01 RMM: 2 -0.316026396359E+03 -0.19197E-01 -0.13683E-01 5082 0.856E-01 0.105E+00 RMM: 3 -0.316018933651E+03 0.74627E-02 -0.15175E-02 5806 0.231E-01 0.205E-01 RMM: 4 -0.316018488902E+03 0.44475E-03 -0.92606E-04 4828 0.664E-02 0.110E-01 RMM: 5 -0.316018419212E+03 0.69690E-04 -0.14059E-04 3897 0.291E-02 0.876E-02 RMM: 6 -0.316018372950E+03 0.46261E-04 -0.35081E-05 2947 0.177E-02 0.468E-02 RMM: 7 -0.316018366809E+03 0.61413E-05 -0.39511E-05 2733 0.180E-02 5114 T= 6919. E= 0.67560878E+03 F= 0.64025062E+03 E0= 0.66902070E+03 EK= 0.56346E+02 SP= -.21E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316755784203E+03 -0.73741E+00 -0.13078E-01 7704 0.249E+01 0.219E-01 RMM: 2 -0.316775448890E+03 -0.19665E-01 -0.15542E-01 4997 0.928E-01 0.949E-01 RMM: 3 -0.316769175126E+03 0.62738E-02 -0.17429E-02 5925 0.243E-01 0.198E-01 RMM: 4 -0.316768688969E+03 0.48616E-03 -0.94626E-04 4875 0.697E-02 0.114E-01 RMM: 5 -0.316768603443E+03 0.85526E-04 -0.14108E-04 3974 0.285E-02 0.839E-02 RMM: 6 -0.316768566650E+03 0.36793E-04 -0.32102E-05 2826 0.172E-02 0.463E-02 RMM: 7 -0.316768564106E+03 0.25443E-05 -0.28502E-05 2608 0.155E-02 5115 T= 6999. E= 0.67560293E+03 F= 0.63950043E+03 E0= 0.66826326E+03 EK= 0.56996E+02 SP= -.21E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317726651791E+03 -0.95809E+00 -0.12633E-01 8008 0.250E+01 0.208E-01 RMM: 2 -0.317744745232E+03 -0.18093E-01 -0.14243E-01 5049 0.879E-01 0.921E-01 RMM: 3 -0.317738952353E+03 0.57929E-02 -0.15819E-02 5982 0.233E-01 0.182E-01 RMM: 4 -0.317738545776E+03 0.40658E-03 -0.79763E-04 4761 0.651E-02 0.126E-01 RMM: 5 -0.317738438125E+03 0.10765E-03 -0.13179E-04 3828 0.285E-02 0.816E-02 RMM: 6 -0.317738404856E+03 0.33269E-04 -0.33007E-05 2883 0.175E-02 0.502E-02 RMM: 7 -0.317738397317E+03 0.75390E-05 -0.40837E-05 2721 0.181E-02 5116 T= 7103. E= 0.67559711E+03 F= 0.63853059E+03 E0= 0.66728783E+03 EK= 0.57845E+02 SP= -.21E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318847336787E+03 -0.11089E+01 -0.12825E-01 8000 0.252E+01 0.223E-01 RMM: 2 -0.318865976738E+03 -0.18640E-01 -0.14803E-01 5115 0.904E-01 0.935E-01 RMM: 3 -0.318859945061E+03 0.60317E-02 -0.16085E-02 5962 0.239E-01 0.190E-01 RMM: 4 -0.318859527794E+03 0.41727E-03 -0.88508E-04 4822 0.683E-02 0.130E-01 RMM: 5 -0.318859416641E+03 0.11115E-03 -0.14146E-04 3897 0.285E-02 0.886E-02 RMM: 6 -0.318859377067E+03 0.39573E-04 -0.35054E-05 2933 0.181E-02 0.478E-02 RMM: 7 -0.318859372911E+03 0.41562E-05 -0.33111E-05 2645 0.163E-02 5117 T= 7223. E= 0.67559151E+03 F= 0.63740962E+03 E0= 0.66616214E+03 EK= 0.58817E+02 SP= -.21E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320055437946E+03 -0.11961E+01 -0.13711E-01 8216 0.253E+01 0.215E-01 RMM: 2 -0.320075244817E+03 -0.19807E-01 -0.15511E-01 5096 0.915E-01 0.962E-01 RMM: 3 -0.320068698478E+03 0.65463E-02 -0.15927E-02 5989 0.238E-01 0.192E-01 RMM: 4 -0.320068269780E+03 0.42870E-03 -0.85374E-04 4762 0.685E-02 0.129E-01 RMM: 5 -0.320068156420E+03 0.11336E-03 -0.13875E-04 3865 0.293E-02 0.815E-02 RMM: 6 -0.320068125570E+03 0.30850E-04 -0.33777E-05 2906 0.177E-02 0.502E-02 RMM: 7 -0.320068122865E+03 0.27056E-05 -0.34689E-05 2631 0.166E-02 5118 T= 7349. E= 0.67558642E+03 F= 0.63620087E+03 E0= 0.66494845E+03 EK= 0.59844E+02 SP= -.21E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321300653708E+03 -0.12325E+01 -0.13911E-01 8136 0.255E+01 0.214E-01 RMM: 2 -0.321319965834E+03 -0.19312E-01 -0.15642E-01 5088 0.921E-01 0.894E-01 RMM: 3 -0.321314021038E+03 0.59448E-02 -0.16011E-02 6015 0.243E-01 0.198E-01 RMM: 4 -0.321313595379E+03 0.42566E-03 -0.86197E-04 4785 0.692E-02 0.126E-01 RMM: 5 -0.321313486029E+03 0.10935E-03 -0.13619E-04 3846 0.293E-02 0.841E-02 RMM: 6 -0.321313451377E+03 0.34652E-04 -0.35291E-05 2934 0.182E-02 0.461E-02 RMM: 7 -0.321313450436E+03 0.94140E-06 -0.30546E-05 2612 0.157E-02 5119 T= 7474. E= 0.67558152E+03 F= 0.63495554E+03 E0= 0.66369685E+03 EK= 0.60868E+02 SP= -.20E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322540784480E+03 -0.12273E+01 -0.13992E-01 8272 0.257E+01 0.198E-01 RMM: 2 -0.322559300248E+03 -0.18516E-01 -0.15764E-01 5049 0.919E-01 0.810E-01 RMM: 3 -0.322554287914E+03 0.50123E-02 -0.16178E-02 6143 0.243E-01 0.177E-01 RMM: 4 -0.322553908980E+03 0.37893E-03 -0.75975E-04 4768 0.664E-02 0.131E-01 RMM: 5 -0.322553785571E+03 0.12341E-03 -0.12510E-04 3805 0.297E-02 0.763E-02 RMM: 6 -0.322553760027E+03 0.25545E-04 -0.32079E-05 2806 0.173E-02 0.485E-02 RMM: 7 -0.322553751995E+03 0.80322E-05 -0.38148E-05 2643 0.169E-02 5120 T= 7594. E= 0.67557714E+03 F= 0.63371524E+03 E0= 0.66244830E+03 EK= 0.61840E+02 SP= -.20E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323745667166E+03 -0.11919E+01 -0.13993E-01 8304 0.258E+01 0.191E-01 RMM: 2 -0.323763007046E+03 -0.17340E-01 -0.14586E-01 5165 0.883E-01 0.787E-01 RMM: 3 -0.323758056284E+03 0.49508E-02 -0.13693E-02 6081 0.233E-01 0.180E-01 RMM: 4 -0.323757768403E+03 0.28788E-03 -0.70294E-04 4762 0.641E-02 0.125E-01 RMM: 5 -0.323757654264E+03 0.11414E-03 -0.11515E-04 3732 0.285E-02 0.756E-02 RMM: 6 -0.323757628350E+03 0.25914E-04 -0.32092E-05 2831 0.175E-02 0.469E-02 RMM: 7 -0.323757623529E+03 0.48215E-05 -0.32697E-05 2605 0.161E-02 5121 T= 7702. E= 0.67557361E+03 F= 0.63251137E+03 E0= 0.66123402E+03 EK= 0.62723E+02 SP= -.20E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324890190939E+03 -0.11326E+01 -0.14631E-01 8480 0.260E+01 0.173E-01 RMM: 2 -0.324906077453E+03 -0.15887E-01 -0.14508E-01 5103 0.883E-01 0.641E-01 RMM: 3 -0.324902400187E+03 0.36773E-02 -0.13815E-02 6171 0.236E-01 0.141E-01 RMM: 4 -0.324902210478E+03 0.18971E-03 -0.59277E-04 4736 0.588E-02 0.135E-01 RMM: 5 -0.324902079406E+03 0.13107E-03 -0.10255E-04 3666 0.294E-02 0.680E-02 RMM: 6 -0.324902061495E+03 0.17911E-04 -0.29709E-05 2649 0.166E-02 5122 T= 7796. E= 0.67557084E+03 F= 0.63136693E+03 E0= 0.66007706E+03 EK= 0.63489E+02 SP= -.20E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325954306902E+03 -0.10522E+01 -0.14874E-01 8144 0.261E+01 0.204E-01 RMM: 2 -0.325974545577E+03 -0.20239E-01 -0.14038E-01 5223 0.862E-01 0.105E+00 RMM: 3 -0.325965944302E+03 0.86013E-02 -0.13775E-02 5523 0.254E-01 0.188E-01 RMM: 4 -0.325965704050E+03 0.24025E-03 -0.87611E-04 4877 0.638E-02 0.103E-01 RMM: 5 -0.325965621558E+03 0.82491E-04 -0.10528E-04 3872 0.281E-02 0.713E-02 RMM: 6 -0.325965604232E+03 0.17326E-04 -0.28627E-05 2608 0.161E-02 5123 T= 7873. E= 0.67556851E+03 F= 0.63030339E+03 E0= 0.65899985E+03 EK= 0.64111E+02 SP= -.19E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326917080962E+03 -0.95146E+00 -0.14559E-01 8040 0.263E+01 0.313E-01 RMM: 2 -0.326948351730E+03 -0.31271E-01 -0.13717E-01 4962 0.901E-01 0.170E+00 RMM: 3 -0.326928119522E+03 0.20232E-01 -0.18095E-02 5395 0.313E-01 0.301E-01 RMM: 4 -0.326927470304E+03 0.64922E-03 -0.16882E-03 4996 0.871E-02 0.103E-01 RMM: 5 -0.326927418653E+03 0.51651E-04 -0.18584E-04 4015 0.318E-02 0.996E-02 RMM: 6 -0.326927364903E+03 0.53751E-04 -0.39020E-05 2935 0.194E-02 0.570E-02 RMM: 7 -0.326927381659E+03 -0.16756E-04 -0.36101E-05 2758 0.176E-02 5124 T= 7928. E= 0.67556647E+03 F= 0.62934161E+03 E0= 0.65802396E+03 EK= 0.64563E+02 SP= -.19E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327761825815E+03 -0.83446E+00 -0.14018E-01 7760 0.264E+01 0.273E-01 RMM: 2 -0.327786790063E+03 -0.24964E-01 -0.13237E-01 4922 0.866E-01 0.141E+00 RMM: 3 -0.327772625890E+03 0.14164E-01 -0.15852E-02 5432 0.285E-01 0.291E-01 RMM: 4 -0.327772101812E+03 0.52408E-03 -0.16123E-03 5109 0.893E-02 0.139E-01 RMM: 5 -0.327772069152E+03 0.32660E-04 -0.23446E-04 3894 0.379E-02 0.129E-01 RMM: 6 -0.327771955887E+03 0.11326E-03 -0.61656E-05 3379 0.234E-02 0.382E-02 RMM: 7 -0.327771961094E+03 -0.52067E-05 -0.22716E-05 2563 0.141E-02 5125 T= 7961. E= 0.67556454E+03 F= 0.62849703E+03 E0= 0.65716740E+03 EK= 0.64829E+02 SP= -.18E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328474152080E+03 -0.70220E+00 -0.13979E-01 7704 0.265E+01 0.231E-01 RMM: 2 -0.328494144076E+03 -0.19992E-01 -0.13583E-01 4893 0.883E-01 0.110E+00 RMM: 3 -0.328485615802E+03 0.85283E-02 -0.15632E-02 5660 0.259E-01 0.206E-01 RMM: 4 -0.328485273452E+03 0.34235E-03 -0.97346E-04 4769 0.703E-02 0.122E-01 RMM: 5 -0.328485177080E+03 0.96372E-04 -0.14227E-04 3898 0.318E-02 0.870E-02 RMM: 6 -0.328485136927E+03 0.40153E-04 -0.39306E-05 2936 0.191E-02 0.501E-02 RMM: 7 -0.328485139714E+03 -0.27871E-05 -0.31310E-05 2610 0.168E-02 5126 T= 7969. E= 0.67556317E+03 F= 0.62778385E+03 E0= 0.65644487E+03 EK= 0.64894E+02 SP= -.18E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329043823550E+03 -0.55869E+00 -0.13885E-01 7424 0.265E+01 0.204E-01 RMM: 2 -0.329061858830E+03 -0.18035E-01 -0.13414E-01 4809 0.884E-01 0.962E-01 RMM: 3 -0.329055356994E+03 0.65018E-02 -0.15746E-02 5814 0.248E-01 0.181E-01 RMM: 4 -0.329055029521E+03 0.32747E-03 -0.84511E-04 4748 0.677E-02 0.118E-01 RMM: 5 -0.329054952598E+03 0.76923E-04 -0.12992E-04 3796 0.317E-02 0.816E-02 RMM: 6 -0.329054917657E+03 0.34941E-04 -0.34394E-05 2814 0.179E-02 0.451E-02 RMM: 7 -0.329054921509E+03 -0.38523E-05 -0.23725E-05 2554 0.152E-02 5127 T= 7951. E= 0.67556204E+03 F= 0.62721407E+03 E0= 0.65587106E+03 EK= 0.64747E+02 SP= -.17E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329461278849E+03 -0.40636E+00 -0.14271E-01 7672 0.265E+01 0.201E-01 RMM: 2 -0.329477663249E+03 -0.16384E-01 -0.13255E-01 4806 0.884E-01 0.848E-01 RMM: 3 -0.329472720694E+03 0.49426E-02 -0.15534E-02 5907 0.239E-01 0.173E-01 RMM: 4 -0.329472399008E+03 0.32169E-03 -0.80092E-04 4714 0.683E-02 0.136E-01 RMM: 5 -0.329472284037E+03 0.11497E-03 -0.13931E-04 3869 0.329E-02 0.820E-02 RMM: 6 -0.329472248050E+03 0.35987E-04 -0.38186E-05 2946 0.188E-02 0.414E-02 RMM: 7 -0.329472248021E+03 0.29431E-07 -0.22117E-05 2527 0.143E-02 5128 T= 7906. E= 0.67556101E+03 F= 0.62679674E+03 E0= 0.65545523E+03 EK= 0.64384E+02 SP= -.17E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329718177803E+03 -0.24593E+00 -0.13706E-01 7504 0.265E+01 0.200E-01 RMM: 2 -0.329732009390E+03 -0.13832E-01 -0.10447E-01 5033 0.789E-01 0.871E-01 RMM: 3 -0.329726880159E+03 0.51292E-02 -0.11418E-02 5784 0.210E-01 0.175E-01 RMM: 4 -0.329726602821E+03 0.27734E-03 -0.67532E-04 4709 0.603E-02 0.116E-01 RMM: 5 -0.329726520643E+03 0.82177E-04 -0.11030E-04 3723 0.283E-02 0.777E-02 RMM: 6 -0.329726490446E+03 0.30197E-04 -0.31893E-05 2803 0.174E-02 0.450E-02 RMM: 7 -0.329726494320E+03 -0.38736E-05 -0.27060E-05 2566 0.152E-02 5129 T= 7834. E= 0.67555980E+03 F= 0.62654249E+03 E0= 0.65520708E+03 EK= 0.63797E+02 SP= -.16E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329794303860E+03 -0.67813E-01 -0.14068E-01 7664 0.264E+01 0.192E-01 RMM: 2 -0.329807987884E+03 -0.13684E-01 -0.11045E-01 4863 0.823E-01 0.801E-01 RMM: 3 -0.329803759655E+03 0.42282E-02 -0.13059E-02 5872 0.220E-01 0.171E-01 RMM: 4 -0.329803461012E+03 0.29864E-03 -0.70137E-04 4681 0.639E-02 0.120E-01 RMM: 5 -0.329803375805E+03 0.85207E-04 -0.12221E-04 3742 0.304E-02 0.777E-02 RMM: 6 -0.329803343688E+03 0.32117E-04 -0.34320E-05 2865 0.181E-02 0.375E-02 RMM: 7 -0.329803345471E+03 -0.17829E-05 -0.19817E-05 2515 0.136E-02 5130 T= 7734. E= 0.67555873E+03 F= 0.62646564E+03 E0= 0.65513862E+03 EK= 0.62982E+02 SP= -.15E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329678250276E+03 0.12509E+00 -0.13663E-01 7520 0.263E+01 0.184E-01 RMM: 2 -0.329689717384E+03 -0.11467E-01 -0.89280E-02 5099 0.734E-01 0.788E-01 RMM: 3 -0.329685598375E+03 0.41190E-02 -0.93670E-03 5805 0.190E-01 0.162E-01 RMM: 4 -0.329685364137E+03 0.23424E-03 -0.55839E-04 4671 0.556E-02 0.111E-01 RMM: 5 -0.329685280910E+03 0.83227E-04 -0.94073E-05 3616 0.262E-02 0.724E-02 RMM: 6 -0.329685254497E+03 0.26413E-04 -0.27227E-05 2654 0.161E-02 0.424E-02 RMM: 7 -0.329685253205E+03 0.12927E-05 -0.22781E-05 2528 0.139E-02 5131 T= 7605. E= 0.67555731E+03 F= 0.62658374E+03 E0= 0.65526347E+03 EK= 0.61928E+02 SP= -.14E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329344870427E+03 0.34038E+00 -0.13818E-01 7504 0.261E+01 0.172E-01 RMM: 2 -0.329355647609E+03 -0.10777E-01 -0.86491E-02 5018 0.720E-01 0.736E-01 RMM: 3 -0.329352101899E+03 0.35457E-02 -0.94257E-03 5853 0.188E-01 0.158E-01 RMM: 4 -0.329351865123E+03 0.23678E-03 -0.51188E-04 4647 0.538E-02 0.992E-02 RMM: 5 -0.329351802286E+03 0.62837E-04 -0.86285E-05 3551 0.252E-02 0.709E-02 RMM: 6 -0.329351777092E+03 0.25194E-04 -0.27635E-05 2679 0.164E-02 0.402E-02 RMM: 7 -0.329351776795E+03 0.29647E-06 -0.21517E-05 2518 0.137E-02 5132 T= 7445. E= 0.67555598E+03 F= 0.62691721E+03 E0= 0.65559835E+03 EK= 0.60629E+02 SP= -.13E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328778641166E+03 0.57314E+00 -0.13809E-01 7752 0.259E+01 0.173E-01 RMM: 2 -0.328789361629E+03 -0.10720E-01 -0.86454E-02 5022 0.712E-01 0.729E-01 RMM: 3 -0.328785729896E+03 0.36317E-02 -0.91932E-03 5859 0.187E-01 0.144E-01 RMM: 4 -0.328785536203E+03 0.19369E-03 -0.52141E-04 4632 0.538E-02 0.113E-01 RMM: 5 -0.328785452876E+03 0.83326E-04 -0.88691E-05 3566 0.260E-02 0.665E-02 RMM: 6 -0.328785430430E+03 0.22446E-04 -0.25627E-05 2626 0.155E-02 0.401E-02 RMM: 7 -0.328785429013E+03 0.14171E-05 -0.21214E-05 2520 0.137E-02 5133 T= 7255. E= 0.67555556E+03 F= 0.62748356E+03 E0= 0.65615705E+03 EK= 0.59078E+02 SP= -.13E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327974222843E+03 0.81121E+00 -0.13280E-01 7584 0.256E+01 0.161E-01 RMM: 2 -0.327984928944E+03 -0.10706E-01 -0.84112E-02 5060 0.689E-01 0.734E-01 RMM: 3 -0.327981304976E+03 0.36240E-02 -0.89705E-03 5886 0.179E-01 0.156E-01 RMM: 4 -0.327981062219E+03 0.24276E-03 -0.48607E-04 4552 0.524E-02 0.919E-02 RMM: 5 -0.327981002974E+03 0.59244E-04 -0.76599E-05 3477 0.236E-02 0.651E-02 RMM: 6 -0.327980982989E+03 0.19985E-04 -0.25456E-05 2629 0.157E-02 5134 T= 7035. E= 0.67555700E+03 F= 0.62828801E+03 E0= 0.65694387E+03 EK= 0.57287E+02 SP= -.12E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326945181601E+03 0.10358E+01 -0.13156E-01 7184 0.251E+01 0.174E-01 RMM: 2 -0.326958398763E+03 -0.13217E-01 -0.91704E-02 5117 0.694E-01 0.873E-01 RMM: 3 -0.326952855848E+03 0.55429E-02 -0.95468E-03 5570 0.193E-01 0.156E-01 RMM: 4 -0.326952636115E+03 0.21973E-03 -0.60391E-04 4795 0.520E-02 0.861E-02 RMM: 5 -0.326952578794E+03 0.57321E-04 -0.70457E-05 3486 0.233E-02 0.598E-02 RMM: 6 -0.326952566496E+03 0.12298E-04 -0.23001E-05 2539 0.145E-02 5135 T= 6789. E= 0.67556071E+03 F= 0.62931642E+03 E0= 0.65794508E+03 EK= 0.55285E+02 SP= -.11E+02 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325735584539E+03 0.12170E+01 -0.12293E-01 7048 0.247E+01 0.302E-01 RMM: 2 -0.325763963750E+03 -0.28379E-01 -0.82507E-02 5127 0.702E-01 0.179E+00 RMM: 3 -0.325741629322E+03 0.22334E-01 -0.11996E-02 5366 0.265E-01 0.289E-01 RMM: 4 -0.325741013422E+03 0.61590E-03 -0.14135E-03 4742 0.792E-02 0.862E-02 RMM: 5 -0.325741005773E+03 0.76494E-05 -0.16130E-04 4028 0.298E-02 5136 T= 6524. E= 0.67556718E+03 F= 0.63052798E+03 E0= 0.65912223E+03 EK= 0.53128E+02 SP= -.98E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324408031066E+03 0.13330E+01 -0.12698E-01 7192 0.241E+01 0.209E-01 RMM: 2 -0.324426046511E+03 -0.18015E-01 -0.95286E-02 5215 0.691E-01 0.117E+00 RMM: 3 -0.324416013528E+03 0.10033E-01 -0.10124E-02 5474 0.215E-01 0.249E-01 RMM: 4 -0.324415564345E+03 0.44918E-03 -0.92054E-04 4774 0.632E-02 0.928E-02 RMM: 5 -0.324415515604E+03 0.48741E-04 -0.10715E-04 3886 0.262E-02 0.772E-02 RMM: 6 -0.324415487055E+03 0.28549E-04 -0.22311E-05 2557 0.142E-02 0.585E-02 RMM: 7 -0.324415500519E+03 -0.13463E-04 -0.45149E-05 3084 0.179E-02 5137 T= 6250. E= 0.67557550E+03 F= 0.63185349E+03 E0= 0.66040996E+03 EK= 0.50895E+02 SP= -.89E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323065002929E+03 0.13505E+01 -0.11023E-01 7208 0.235E+01 0.265E-01 RMM: 2 -0.323079687425E+03 -0.14684E-01 -0.73522E-02 5032 0.663E-01 0.118E+00 RMM: 3 -0.323070423545E+03 0.92639E-02 -0.91973E-03 5496 0.215E-01 0.223E-01 RMM: 4 -0.323070192512E+03 0.23103E-03 -0.10247E-03 4632 0.694E-02 0.159E-01 RMM: 5 -0.323070124986E+03 0.67526E-04 -0.21895E-04 3882 0.385E-02 0.128E-01 RMM: 6 -0.323070019327E+03 0.10566E-03 -0.82306E-05 3533 0.272E-02 0.302E-02 RMM: 7 -0.323070027093E+03 -0.77657E-05 -0.17964E-05 2534 0.129E-02 5138 T= 5979. E= 0.67558437E+03 F= 0.63319896E+03 E0= 0.66171733E+03 EK= 0.48692E+02 SP= -.80E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321808931552E+03 0.12611E+01 -0.10455E-01 7656 0.229E+01 0.160E-01 RMM: 2 -0.321818908197E+03 -0.99766E-02 -0.74863E-02 5177 0.636E-01 0.715E-01 RMM: 3 -0.321815181214E+03 0.37270E-02 -0.72795E-03 5644 0.173E-01 0.133E-01 RMM: 4 -0.321815035207E+03 0.14601E-03 -0.48039E-04 4552 0.468E-02 0.108E-01 RMM: 5 -0.321814944095E+03 0.91113E-04 -0.75492E-05 3537 0.251E-02 0.556E-02 RMM: 6 -0.321814928951E+03 0.15144E-04 -0.21552E-05 2540 0.134E-02 5139 T= 5726. E= 0.67559325E+03 F= 0.63445406E+03 E0= 0.66293882E+03 EK= 0.46633E+02 SP= -.71E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320754560972E+03 0.10604E+01 -0.99237E-02 7776 0.223E+01 0.186E-01 RMM: 2 -0.320767170963E+03 -0.12610E-01 -0.75665E-02 4928 0.661E-01 0.952E-01 RMM: 3 -0.320760978982E+03 0.61920E-02 -0.90185E-03 5603 0.196E-01 0.194E-01 RMM: 4 -0.320760670705E+03 0.30828E-03 -0.66889E-04 4697 0.552E-02 0.731E-02 RMM: 5 -0.320760655692E+03 0.15013E-04 -0.10090E-04 3748 0.264E-02 5140 T= 5505. E= 0.67560141E+03 F= 0.63550833E+03 E0= 0.66396344E+03 EK= 0.44833E+02 SP= -.62E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319997178628E+03 0.76349E+00 -0.92338E-02 7704 0.218E+01 0.215E-01 RMM: 2 -0.320013153289E+03 -0.15975E-01 -0.73142E-02 4981 0.648E-01 0.120E+00 RMM: 3 -0.320003201950E+03 0.99513E-02 -0.90089E-03 5499 0.206E-01 0.203E-01 RMM: 4 -0.320002908764E+03 0.29319E-03 -0.89784E-04 4641 0.661E-02 0.102E-01 RMM: 5 -0.320002862867E+03 0.45897E-04 -0.12285E-04 3854 0.272E-02 0.822E-02 RMM: 6 -0.320002826592E+03 0.36276E-04 -0.30207E-05 2821 0.171E-02 0.434E-02 RMM: 7 -0.320002842835E+03 -0.16243E-04 -0.28846E-05 2620 0.160E-02 5141 T= 5328. E= 0.67560773E+03 F= 0.63626615E+03 E0= 0.66469764E+03 EK= 0.43386E+02 SP= -.54E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319603214085E+03 0.39961E+00 -0.10024E-01 7736 0.214E+01 0.189E-01 RMM: 2 -0.319617297207E+03 -0.14083E-01 -0.10557E-01 4705 0.774E-01 0.829E-01 RMM: 3 -0.319612334217E+03 0.49630E-02 -0.12459E-02 5852 0.212E-01 0.180E-01 RMM: 4 -0.319612022175E+03 0.31204E-03 -0.79520E-04 4727 0.654E-02 0.121E-01 RMM: 5 -0.319611953379E+03 0.68796E-04 -0.13759E-04 3782 0.309E-02 0.776E-02 RMM: 6 -0.319611921791E+03 0.31588E-04 -0.42979E-05 3097 0.195E-02 0.389E-02 RMM: 7 -0.319611937611E+03 -0.15820E-04 -0.23712E-05 2562 0.156E-02 5142 T= 5202. E= 0.67561104E+03 F= 0.63665705E+03 E0= 0.66507093E+03 EK= 0.42359E+02 SP= -.46E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319618766570E+03 -0.68448E-02 -0.89188E-02 8136 0.211E+01 0.143E-01 RMM: 2 -0.319629267941E+03 -0.10501E-01 -0.77068E-02 5010 0.635E-01 0.735E-01 RMM: 3 -0.319625303771E+03 0.39642E-02 -0.82784E-03 5934 0.173E-01 0.128E-01 RMM: 4 -0.319625095426E+03 0.20835E-03 -0.42642E-04 4442 0.471E-02 0.806E-02 RMM: 5 -0.319625047536E+03 0.47890E-04 -0.57777E-05 3335 0.219E-02 0.534E-02 RMM: 6 -0.319625036965E+03 0.10571E-04 -0.19559E-05 2522 0.134E-02 5143 T= 5131. E= 0.67561206E+03 F= 0.63664395E+03 E0= 0.66504668E+03 EK= 0.41785E+02 SP= -.38E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320042261973E+03 -0.41721E+00 -0.91320E-02 8304 0.210E+01 0.160E-01 RMM: 2 -0.320054311341E+03 -0.12049E-01 -0.80504E-02 4984 0.638E-01 0.838E-01 RMM: 3 -0.320049079882E+03 0.52315E-02 -0.86086E-03 5615 0.189E-01 0.167E-01 RMM: 4 -0.320048835254E+03 0.24463E-03 -0.59439E-04 4838 0.497E-02 0.703E-02 RMM: 5 -0.320048806114E+03 0.29140E-04 -0.56178E-05 3238 0.207E-02 0.628E-02 RMM: 6 -0.320048794739E+03 0.11375E-04 -0.19052E-05 2518 0.132E-02 5144 T= 5117. E= 0.67561117E+03 F= 0.63622019E+03 E0= 0.66461646E+03 EK= 0.41666E+02 SP= -.32E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320862444478E+03 -0.81364E+00 -0.91800E-02 8472 0.211E+01 0.338E-01 RMM: 2 -0.320894485132E+03 -0.32041E-01 -0.84119E-02 5110 0.681E-01 0.192E+00 RMM: 3 -0.320868507649E+03 0.25977E-01 -0.13922E-02 5362 0.287E-01 0.325E-01 RMM: 4 -0.320867719642E+03 0.78801E-03 -0.16641E-03 4807 0.814E-02 0.833E-02 RMM: 5 -0.320867691781E+03 0.27861E-04 -0.16735E-04 3947 0.304E-02 0.878E-02 RMM: 6 -0.320867647143E+03 0.44638E-04 -0.26720E-05 2654 0.159E-02 0.504E-02 RMM: 7 -0.320867651888E+03 -0.47454E-05 -0.21025E-05 2555 0.142E-02 5145 T= 5155. E= 0.67560860E+03 F= 0.63540134E+03 E0= 0.66379639E+03 EK= 0.41981E+02 SP= -.25E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322041452976E+03 -0.11738E+01 -0.10033E-01 8496 0.212E+01 0.321E-01 RMM: 2 -0.322075909271E+03 -0.34456E-01 -0.98721E-02 5043 0.700E-01 0.195E+00 RMM: 3 -0.322048930420E+03 0.26979E-01 -0.14225E-02 5367 0.283E-01 0.314E-01 RMM: 4 -0.322048237850E+03 0.69257E-03 -0.17604E-03 4770 0.864E-02 0.119E-01 RMM: 5 -0.322048239836E+03 -0.19857E-05 -0.23999E-04 3888 0.381E-02 0.127E-01 RMM: 6 -0.322048127066E+03 0.11277E-03 -0.69215E-05 3442 0.243E-02 0.398E-02 RMM: 7 -0.322048127271E+03 -0.20466E-06 -0.19852E-05 2551 0.137E-02 5146 T= 5243. E= 0.67560514E+03 F= 0.63422086E+03 E0= 0.66261843E+03 EK= 0.42692E+02 SP= -.19E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323535516239E+03 -0.14874E+01 -0.11187E-01 8952 0.215E+01 0.232E-01 RMM: 2 -0.323555220212E+03 -0.19704E-01 -0.97999E-02 5251 0.670E-01 0.129E+00 RMM: 3 -0.323543384126E+03 0.11836E-01 -0.10464E-02 5439 0.221E-01 0.215E-01 RMM: 4 -0.323543046998E+03 0.33713E-03 -0.10169E-03 4990 0.616E-02 0.878E-02 RMM: 5 -0.323542997910E+03 0.49088E-04 -0.10146E-04 3719 0.256E-02 0.779E-02 RMM: 6 -0.323542964329E+03 0.33581E-04 -0.25039E-05 2644 0.153E-02 0.497E-02 RMM: 7 -0.323542967951E+03 -0.36216E-05 -0.23451E-05 2587 0.139E-02 5147 T= 5372. E= 0.67560012E+03 F= 0.63272602E+03 E0= 0.66112971E+03 EK= 0.43746E+02 SP= -.14E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325277517216E+03 -0.17346E+01 -0.12386E-01 9008 0.218E+01 0.186E-01 RMM: 2 -0.325293224527E+03 -0.15707E-01 -0.11666E-01 5157 0.713E-01 0.875E-01 RMM: 3 -0.325287226809E+03 0.59977E-02 -0.10658E-02 5863 0.196E-01 0.184E-01 RMM: 4 -0.325286891979E+03 0.33483E-03 -0.70876E-04 4726 0.577E-02 0.938E-02 RMM: 5 -0.325286845249E+03 0.46731E-04 -0.10013E-04 3768 0.246E-02 0.715E-02 RMM: 6 -0.325286817740E+03 0.27509E-04 -0.22620E-05 2588 0.145E-02 0.432E-02 RMM: 7 -0.325286820871E+03 -0.31312E-05 -0.20249E-05 2539 0.136E-02 5148 T= 5535. E= 0.67559302E+03 F= 0.63098217E+03 E0= 0.65939440E+03 EK= 0.45070E+02 SP= -.91E+00 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327178823013E+03 -0.18920E+01 -0.14972E-01 8872 0.222E+01 0.177E-01 RMM: 2 -0.327195902402E+03 -0.17079E-01 -0.14785E-01 5168 0.791E-01 0.712E-01 RMM: 3 -0.327191289591E+03 0.46128E-02 -0.12966E-02 6106 0.205E-01 0.139E-01 RMM: 4 -0.327191008180E+03 0.28141E-03 -0.65082E-04 4583 0.575E-02 0.127E-01 RMM: 5 -0.327190903113E+03 0.10507E-03 -0.10513E-04 3722 0.274E-02 0.654E-02 RMM: 6 -0.327190885997E+03 0.17116E-04 -0.24807E-05 2600 0.147E-02 5149 T= 5719. E= 0.67558421E+03 F= 0.62907810E+03 E0= 0.65749976E+03 EK= 0.46572E+02 SP= -.45E+00 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329133424288E+03 -0.19425E+01 -0.17832E-01 9016 0.226E+01 0.239E-01 RMM: 2 -0.329158525455E+03 -0.25101E-01 -0.16222E-01 5405 0.786E-01 0.122E+00 RMM: 3 -0.329146460549E+03 0.12065E-01 -0.12422E-02 5530 0.229E-01 0.224E-01 RMM: 4 -0.329146072948E+03 0.38760E-03 -0.11290E-03 4859 0.674E-02 0.106E-01 RMM: 5 -0.329146011655E+03 0.61294E-04 -0.13330E-04 3975 0.275E-02 0.847E-02 RMM: 6 -0.329145982172E+03 0.29483E-04 -0.28093E-05 2679 0.159E-02 0.664E-02 RMM: 7 -0.329146004874E+03 -0.22702E-04 -0.56600E-05 3304 0.208E-02 0.947E-02 RMM: 8 -0.329145944877E+03 0.59997E-04 -0.88284E-05 3830 0.212E-02 0.369E-02 RMM: 9 -0.329145944467E+03 0.41045E-06 -0.19742E-05 2570 0.126E-02 5150 T= 5911. E= 0.67557472E+03 F= 0.62712304E+03 E0= 0.65555468E+03 EK= 0.48138E+02 SP= -.30E-01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331016412887E+03 -0.18705E+01 -0.22265E-01 8968 0.230E+01 0.273E-01 RMM: 2 -0.331044183176E+03 -0.27770E-01 -0.19112E-01 5392 0.849E-01 0.123E+00 RMM: 3 -0.331031532536E+03 0.12651E-01 -0.14427E-02 5585 0.242E-01 0.196E-01 RMM: 4 -0.331031425826E+03 0.10671E-03 -0.14887E-03 4704 0.847E-02 0.210E-01 RMM: 5 -0.331031159504E+03 0.26632E-03 -0.27016E-04 3885 0.407E-02 0.107E-01 RMM: 6 -0.331031089505E+03 0.69998E-04 -0.58641E-05 3340 0.219E-02 0.411E-02 RMM: 7 -0.331031099420E+03 -0.99147E-05 -0.28262E-05 2626 0.156E-02 5151 T= 6096. E= 0.67556455E+03 F= 0.62523789E+03 E0= 0.65367658E+03 EK= 0.49642E+02 SP= 0.37E+00 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332706363842E+03 -0.16753E+01 -0.27469E-01 8936 0.234E+01 0.203E-01 RMM: 2 -0.332731105166E+03 -0.24741E-01 -0.20658E-01 5845 0.851E-01 0.886E-01 RMM: 3 -0.332723583723E+03 0.75214E-02 -0.10523E-02 5632 0.208E-01 0.204E-01 RMM: 4 -0.332723290151E+03 0.29357E-03 -0.93251E-04 4874 0.614E-02 0.113E-01 RMM: 5 -0.332723209379E+03 0.80772E-04 -0.11748E-04 3919 0.262E-02 0.835E-02 RMM: 6 -0.332723193997E+03 0.15382E-04 -0.28881E-05 2698 0.159E-02 5152 T= 6257. E= 0.67555522E+03 F= 0.62354580E+03 E0= 0.65198821E+03 EK= 0.50957E+02 SP= 0.76E+00 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334094086514E+03 -0.13709E+01 -0.32310E-01 8936 0.237E+01 0.310E-01 RMM: 2 -0.334131972277E+03 -0.37886E-01 -0.22883E-01 5765 0.898E-01 0.155E+00 RMM: 3 -0.334112865106E+03 0.19107E-01 -0.16215E-02 5394 0.283E-01 0.258E-01 RMM: 4 -0.334112438340E+03 0.42677E-03 -0.17559E-03 5058 0.774E-02 0.126E-01 RMM: 5 -0.334112344863E+03 0.93477E-04 -0.16928E-04 3973 0.316E-02 0.983E-02 RMM: 6 -0.334112307950E+03 0.36913E-04 -0.40186E-05 3009 0.188E-02 0.703E-02 RMM: 7 -0.334112339072E+03 -0.31122E-04 -0.57275E-05 3329 0.208E-02 0.999E-02 RMM: 8 -0.334112286314E+03 0.52758E-04 -0.88857E-05 3828 0.217E-02 0.477E-02 RMM: 9 -0.334112279951E+03 0.63634E-05 -0.25946E-05 2660 0.147E-02 5153 T= 6382. E= 0.67554728E+03 F= 0.62215671E+03 E0= 0.65060093E+03 EK= 0.51972E+02 SP= 0.11E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335091474240E+03 -0.97919E+00 -0.37246E-01 8904 0.240E+01 0.357E-01 RMM: 2 -0.335132143084E+03 -0.40669E-01 -0.25168E-01 5436 0.977E-01 0.161E+00 RMM: 3 -0.335112103882E+03 0.20039E-01 -0.18941E-02 5448 0.296E-01 0.348E-01 RMM: 4 -0.335111344642E+03 0.75924E-03 -0.23314E-03 4968 0.104E-01 0.195E-01 RMM: 5 -0.335111240314E+03 0.10433E-03 -0.40147E-04 4060 0.487E-02 0.157E-01 RMM: 6 -0.335111088016E+03 0.15230E-03 -0.11362E-04 3785 0.287E-02 0.538E-02 RMM: 7 -0.335111109523E+03 -0.21507E-04 -0.49633E-05 3204 0.191E-02 0.769E-02 RMM: 8 -0.335111083151E+03 0.26373E-04 -0.43631E-05 3012 0.200E-02 0.315E-02 RMM: 9 -0.335111087486E+03 -0.43351E-05 -0.16663E-05 2518 0.116E-02 5154 T= 6459. E= 0.67554118E+03 F= 0.62115790E+03 E0= 0.64959883E+03 EK= 0.52596E+02 SP= 0.15E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335646539712E+03 -0.53546E+00 -0.40119E-01 8896 0.241E+01 0.227E-01 RMM: 2 -0.335676253953E+03 -0.29714E-01 -0.21952E-01 6383 0.874E-01 0.114E+00 RMM: 3 -0.335665748698E+03 0.10505E-01 -0.94587E-03 5453 0.214E-01 0.202E-01 RMM: 4 -0.335665501050E+03 0.24765E-03 -0.97099E-04 4764 0.649E-02 0.121E-01 RMM: 5 -0.335665426195E+03 0.74855E-04 -0.13592E-04 3924 0.282E-02 0.859E-02 RMM: 6 -0.335665391320E+03 0.34876E-04 -0.32643E-05 2897 0.173E-02 0.537E-02 RMM: 7 -0.335665409435E+03 -0.18115E-04 -0.42388E-05 3066 0.180E-02 5155 T= 6481. E= 0.67553817E+03 F= 0.62060358E+03 E0= 0.64903826E+03 EK= 0.52778E+02 SP= 0.19E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335747142804E+03 -0.81751E-01 -0.41447E-01 8968 0.241E+01 0.200E-01 RMM: 2 -0.335774198631E+03 -0.27056E-01 -0.22107E-01 6241 0.914E-01 0.934E-01 RMM: 3 -0.335767013474E+03 0.71852E-02 -0.10243E-02 5573 0.214E-01 0.185E-01 RMM: 4 -0.335766773067E+03 0.24041E-03 -0.82309E-04 4804 0.604E-02 0.113E-01 RMM: 5 -0.335766715669E+03 0.57399E-04 -0.12022E-04 3868 0.284E-02 0.851E-02 RMM: 6 -0.335766688498E+03 0.27170E-04 -0.35448E-05 2938 0.176E-02 0.622E-02 RMM: 7 -0.335766730797E+03 -0.42299E-04 -0.73153E-05 3558 0.221E-02 0.995E-02 RMM: 8 -0.335766672085E+03 0.58712E-04 -0.52934E-05 3215 0.203E-02 0.285E-02 RMM: 9 -0.335766673795E+03 -0.17102E-05 -0.15297E-05 2501 0.112E-02 5156 T= 6448. E= 0.67553911E+03 F= 0.62050232E+03 E0= 0.64892817E+03 EK= 0.52511E+02 SP= 0.23E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335439631093E+03 0.32704E+00 -0.41031E-01 8992 0.240E+01 0.204E-01 RMM: 2 -0.335465152029E+03 -0.25521E-01 -0.22838E-01 5958 0.973E-01 0.758E-01 RMM: 3 -0.335460094641E+03 0.50574E-02 -0.12911E-02 5758 0.225E-01 0.154E-01 RMM: 4 -0.335459937975E+03 0.15667E-03 -0.88989E-04 4811 0.645E-02 0.166E-01 RMM: 5 -0.335459754673E+03 0.18330E-03 -0.15531E-04 3914 0.319E-02 0.775E-02 RMM: 6 -0.335459738407E+03 0.16266E-04 -0.48825E-05 3160 0.201E-02 5157 T= 6367. E= 0.67554473E+03 F= 0.62080925E+03 E0= 0.64922383E+03 EK= 0.51847E+02 SP= 0.26E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334832867594E+03 0.62689E+00 -0.35742E-01 8720 0.238E+01 0.323E-01 RMM: 2 -0.334872742574E+03 -0.39875E-01 -0.20725E-01 5790 0.916E-01 0.176E+00 RMM: 3 -0.334850179248E+03 0.22563E-01 -0.16387E-02 5387 0.291E-01 0.285E-01 RMM: 4 -0.334849660571E+03 0.51868E-03 -0.17881E-03 5007 0.799E-02 0.123E-01 RMM: 5 -0.334849600751E+03 0.59820E-04 -0.18924E-04 4068 0.330E-02 0.115E-01 RMM: 6 -0.334849555297E+03 0.45454E-04 -0.63107E-05 3345 0.223E-02 0.865E-02 RMM: 7 -0.334849649954E+03 -0.94656E-04 -0.13397E-04 3878 0.305E-02 0.140E-01 RMM: 8 -0.334849539183E+03 0.11077E-03 -0.12018E-04 3880 0.273E-02 0.481E-02 RMM: 9 -0.334849531919E+03 0.72644E-05 -0.23802E-05 2637 0.140E-02 5158 T= 6250. E= 0.67555428E+03 F= 0.62141946E+03 E0= 0.64981914E+03 EK= 0.50893E+02 SP= 0.30E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334077381269E+03 0.77216E+00 -0.29076E-01 8816 0.235E+01 0.316E-01 RMM: 2 -0.334113758957E+03 -0.36378E-01 -0.19226E-01 5557 0.902E-01 0.168E+00 RMM: 3 -0.334093406241E+03 0.20353E-01 -0.15800E-02 5383 0.284E-01 0.303E-01 RMM: 4 -0.334092879283E+03 0.52696E-03 -0.20403E-03 5010 0.948E-02 0.168E-01 RMM: 5 -0.334092775073E+03 0.10421E-03 -0.26926E-04 3934 0.386E-02 0.133E-01 RMM: 6 -0.334092657428E+03 0.11765E-03 -0.73529E-05 3510 0.245E-02 0.514E-02 RMM: 7 -0.334092681585E+03 -0.24158E-04 -0.45904E-05 3070 0.188E-02 0.814E-02 RMM: 8 -0.334092646145E+03 0.35441E-04 -0.43746E-05 2920 0.198E-02 0.290E-02 RMM: 9 -0.334092649863E+03 -0.37180E-05 -0.16719E-05 2498 0.117E-02 5159 T= 6117. E= 0.67556590E+03 F= 0.62217634E+03 E0= 0.65055871E+03 EK= 0.49811E+02 SP= 0.33E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333356190845E+03 0.73646E+00 -0.21417E-01 8768 0.231E+01 0.272E-01 RMM: 2 -0.333386067142E+03 -0.29876E-01 -0.16246E-01 5471 0.858E-01 0.149E+00 RMM: 3 -0.333369785160E+03 0.16282E-01 -0.13561E-02 5396 0.261E-01 0.269E-01 RMM: 4 -0.333369313557E+03 0.47160E-03 -0.14963E-03 4861 0.769E-02 0.107E-01 RMM: 5 -0.333369245187E+03 0.68370E-04 -0.16566E-04 4331 0.299E-02 0.874E-02 RMM: 6 -0.333369213885E+03 0.31302E-04 -0.27451E-05 2624 0.158E-02 0.687E-02 RMM: 7 -0.333369223809E+03 -0.99240E-05 -0.45154E-05 3054 0.193E-02 5160 T= 5990. E= 0.67557614E+03 F= 0.62289977E+03 E0= 0.65126268E+03 EK= 0.48782E+02 SP= 0.37E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332827029577E+03 0.54218E+00 -0.15276E-01 8784 0.229E+01 0.180E-01 RMM: 2 -0.332844791839E+03 -0.17762E-01 -0.13887E-01 5243 0.813E-01 0.866E-01 RMM: 3 -0.332839134157E+03 0.56577E-02 -0.12512E-02 5735 0.221E-01 0.185E-01 RMM: 4 -0.332838805341E+03 0.32882E-03 -0.77500E-04 4940 0.581E-02 0.987E-02 RMM: 5 -0.332838754751E+03 0.50590E-04 -0.83482E-05 3727 0.241E-02 0.790E-02 RMM: 6 -0.332838745440E+03 0.93113E-05 -0.22755E-05 2567 0.143E-02 5161 T= 5890. E= 0.67558257E+03 F= 0.62343024E+03 E0= 0.65177006E+03 EK= 0.47966E+02 SP= 0.40E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332588255393E+03 0.25050E+00 -0.12653E-01 7752 0.227E+01 0.282E-01 RMM: 2 -0.332618304197E+03 -0.30049E-01 -0.13598E-01 4843 0.842E-01 0.161E+00 RMM: 3 -0.332599528598E+03 0.18776E-01 -0.16854E-02 5429 0.289E-01 0.254E-01 RMM: 4 -0.332599082893E+03 0.44571E-03 -0.17220E-03 5083 0.788E-02 0.970E-02 RMM: 5 -0.332599023684E+03 0.59208E-04 -0.16067E-04 4322 0.294E-02 0.823E-02 RMM: 6 -0.332598995572E+03 0.28112E-04 -0.28144E-05 2619 0.156E-02 0.654E-02 RMM: 7 -0.332599021621E+03 -0.26049E-04 -0.52639E-05 3225 0.204E-02 0.955E-02 RMM: 8 -0.332598964231E+03 0.57390E-04 -0.78760E-05 3758 0.207E-02 0.371E-02 RMM: 9 -0.332598961247E+03 0.29843E-05 -0.17311E-05 2545 0.121E-02 5162 T= 5828. E= 0.67558464E+03 F= 0.62367003E+03 E0= 0.65198417E+03 EK= 0.47461E+02 SP= 0.43E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332668687472E+03 -0.69723E-01 -0.11131E-01 7704 0.226E+01 0.351E-01 RMM: 2 -0.332700900701E+03 -0.32213E-01 -0.10289E-01 4871 0.779E-01 0.188E+00 RMM: 3 -0.332676131886E+03 0.24769E-01 -0.15612E-02 5376 0.300E-01 0.298E-01 RMM: 4 -0.332675559659E+03 0.57223E-03 -0.18507E-03 4943 0.894E-02 0.137E-01 RMM: 5 -0.332675567879E+03 -0.82194E-05 -0.25549E-04 3890 0.376E-02 0.154E-01 RMM: 6 -0.332675411086E+03 0.15679E-03 -0.89606E-05 3639 0.273E-02 0.456E-02 RMM: 7 -0.332675419207E+03 -0.81211E-05 -0.30963E-05 2780 0.167E-02 5163 T= 5808. E= 0.67558317E+03 F= 0.62359357E+03 E0= 0.65188155E+03 EK= 0.47293E+02 SP= 0.46E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333035930198E+03 -0.36052E+00 -0.11489E-01 7944 0.225E+01 0.211E-01 RMM: 2 -0.333053001550E+03 -0.17071E-01 -0.11015E-01 4993 0.766E-01 0.103E+00 RMM: 3 -0.333045212141E+03 0.77894E-02 -0.12223E-02 5616 0.224E-01 0.213E-01 RMM: 4 -0.333044831546E+03 0.38059E-03 -0.91496E-04 4725 0.656E-02 0.956E-02 RMM: 5 -0.333044779966E+03 0.51581E-04 -0.12289E-04 3877 0.287E-02 0.706E-02 RMM: 6 -0.333044753988E+03 0.25978E-04 -0.25976E-05 2594 0.153E-02 0.462E-02 RMM: 7 -0.333044758953E+03 -0.49652E-05 -0.24883E-05 2564 0.154E-02 5164 T= 5826. E= 0.67558045E+03 F= 0.62322423E+03 E0= 0.65148662E+03 EK= 0.47442E+02 SP= 0.48E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333656542443E+03 -0.61179E+00 -0.11754E-01 8736 0.226E+01 0.208E-01 RMM: 2 -0.333672430642E+03 -0.15888E-01 -0.11852E-01 5004 0.781E-01 0.902E-01 RMM: 3 -0.333666361202E+03 0.60694E-02 -0.12775E-02 5775 0.222E-01 0.155E-01 RMM: 4 -0.333666113806E+03 0.24740E-03 -0.77496E-04 4897 0.594E-02 0.122E-01 RMM: 5 -0.333666015688E+03 0.98118E-04 -0.10611E-04 3782 0.280E-02 0.699E-02 RMM: 6 -0.333665992401E+03 0.23287E-04 -0.27081E-05 2602 0.156E-02 0.488E-02 RMM: 7 -0.333665987026E+03 0.53746E-05 -0.29422E-05 2634 0.156E-02 5165 T= 5878. E= 0.67557739E+03 F= 0.62260300E+03 E0= 0.65084025E+03 EK= 0.47863E+02 SP= 0.50E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334486313970E+03 -0.82032E+00 -0.12568E-01 8696 0.227E+01 0.179E-01 RMM: 2 -0.334502346915E+03 -0.16033E-01 -0.12560E-01 5210 0.763E-01 0.820E-01 RMM: 3 -0.334496718605E+03 0.56283E-02 -0.11467E-02 5805 0.205E-01 0.163E-01 RMM: 4 -0.334496462334E+03 0.25627E-03 -0.68913E-04 4769 0.575E-02 0.116E-01 RMM: 5 -0.334496367625E+03 0.94709E-04 -0.95854E-05 3712 0.263E-02 0.683E-02 RMM: 6 -0.334496352763E+03 0.14861E-04 -0.23424E-05 2569 0.144E-02 5166 T= 5957. E= 0.67557399E+03 F= 0.62177264E+03 E0= 0.64998811E+03 EK= 0.48513E+02 SP= 0.52E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335479405428E+03 -0.98304E+00 -0.13087E-01 8576 0.229E+01 0.226E-01 RMM: 2 -0.335502905951E+03 -0.23501E-01 -0.14509E-01 5051 0.825E-01 0.123E+00 RMM: 3 -0.335491524231E+03 0.11382E-01 -0.15100E-02 5552 0.254E-01 0.215E-01 RMM: 4 -0.335491136944E+03 0.38729E-03 -0.11939E-03 5254 0.660E-02 0.100E-01 RMM: 5 -0.335491072739E+03 0.64205E-04 -0.10206E-04 3792 0.273E-02 0.843E-02 RMM: 6 -0.335491057825E+03 0.14914E-04 -0.25934E-05 2571 0.150E-02 5167 T= 6059. E= 0.67556929E+03 F= 0.62077793E+03 E0= 0.64897506E+03 EK= 0.49343E+02 SP= 0.54E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336585935969E+03 -0.10949E+01 -0.13026E-01 8704 0.231E+01 0.375E-01 RMM: 2 -0.336631658333E+03 -0.45722E-01 -0.13559E-01 5161 0.821E-01 0.223E+00 RMM: 3 -0.336596266902E+03 0.35391E-01 -0.20814E-02 5372 0.343E-01 0.356E-01 RMM: 4 -0.336595352446E+03 0.91446E-03 -0.23666E-03 5065 0.955E-02 0.102E-01 RMM: 5 -0.336595290599E+03 0.61846E-04 -0.22726E-04 4305 0.321E-02 0.959E-02 RMM: 6 -0.336595244461E+03 0.46138E-04 -0.31574E-05 2687 0.173E-02 0.667E-02 RMM: 7 -0.336595261905E+03 -0.17443E-04 -0.44374E-05 3061 0.189E-02 5168 T= 6176. E= 0.67556310E+03 F= 0.61967373E+03 E0= 0.64785897E+03 EK= 0.50293E+02 SP= 0.56E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337732890828E+03 -0.11376E+01 -0.14092E-01 8648 0.234E+01 0.350E-01 RMM: 2 -0.337770761039E+03 -0.37870E-01 -0.15711E-01 5092 0.865E-01 0.188E+00 RMM: 3 -0.337745014353E+03 0.25747E-01 -0.18965E-02 5408 0.321E-01 0.363E-01 RMM: 4 -0.337744095684E+03 0.91867E-03 -0.23032E-03 5114 0.994E-02 0.123E-01 RMM: 5 -0.337744151522E+03 -0.55838E-04 -0.32335E-04 3913 0.424E-02 0.161E-01 RMM: 6 -0.337743975957E+03 0.17557E-03 -0.10093E-04 3751 0.286E-02 0.434E-02 RMM: 7 -0.337743979667E+03 -0.37097E-05 -0.24165E-05 2624 0.142E-02 5169 T= 6299. E= 0.67555639E+03 F= 0.61852501E+03 E0= 0.64670516E+03 EK= 0.51296E+02 SP= 0.57E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338853064680E+03 -0.11091E+01 -0.14985E-01 8672 0.237E+01 0.229E-01 RMM: 2 -0.338877156256E+03 -0.24092E-01 -0.15960E-01 5229 0.844E-01 0.119E+00 RMM: 3 -0.338866168350E+03 0.10988E-01 -0.14583E-02 5637 0.248E-01 0.212E-01 RMM: 4 -0.338865776763E+03 0.39159E-03 -0.11049E-03 4889 0.681E-02 0.995E-02 RMM: 5 -0.338865705554E+03 0.71209E-04 -0.13804E-04 3928 0.290E-02 0.804E-02 RMM: 6 -0.338865671583E+03 0.33970E-04 -0.31671E-05 2763 0.169E-02 0.502E-02 RMM: 7 -0.338865672388E+03 -0.80439E-06 -0.32184E-05 2650 0.158E-02 5170 T= 6420. E= 0.67554995E+03 F= 0.61740332E+03 E0= 0.64558379E+03 EK= 0.52278E+02 SP= 0.58E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339881399730E+03 -0.10157E+01 -0.15377E-01 8768 0.240E+01 0.182E-01 RMM: 2 -0.339898841129E+03 -0.17441E-01 -0.14913E-01 5408 0.808E-01 0.752E-01 RMM: 3 -0.339893678031E+03 0.51631E-02 -0.11395E-02 6149 0.206E-01 0.143E-01 RMM: 4 -0.339893439389E+03 0.23864E-03 -0.58921E-04 4775 0.529E-02 0.108E-01 RMM: 5 -0.339893357828E+03 0.81561E-04 -0.83775E-05 3622 0.245E-02 0.649E-02 RMM: 6 -0.339893339388E+03 0.18440E-04 -0.24976E-05 2606 0.152E-02 5171 T= 6529. E= 0.67554466E+03 F= 0.61637565E+03 E0= 0.64456469E+03 EK= 0.53167E+02 SP= 0.60E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340761747300E+03 -0.86839E+00 -0.17201E-01 8472 0.242E+01 0.239E-01 RMM: 2 -0.340789690977E+03 -0.27944E-01 -0.19240E-01 5041 0.962E-01 0.123E+00 RMM: 3 -0.340778319002E+03 0.11372E-01 -0.18734E-02 5772 0.274E-01 0.218E-01 RMM: 4 -0.340777811023E+03 0.50798E-03 -0.11885E-03 4898 0.731E-02 0.105E-01 RMM: 5 -0.340777745970E+03 0.65053E-04 -0.15773E-04 4179 0.307E-02 0.771E-02 RMM: 6 -0.340777717512E+03 0.28458E-04 -0.31178E-05 2760 0.166E-02 0.578E-02 RMM: 7 -0.340777725847E+03 -0.83345E-05 -0.39179E-05 2818 0.184E-02 5172 T= 6620. E= 0.67554143E+03 F= 0.61549126E+03 E0= 0.64369461E+03 EK= 0.53912E+02 SP= 0.61E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341482310530E+03 -0.70459E+00 -0.16698E-01 8704 0.244E+01 0.268E-01 RMM: 2 -0.341509132457E+03 -0.26822E-01 -0.16701E-01 5279 0.890E-01 0.132E+00 RMM: 3 -0.341496057119E+03 0.13075E-01 -0.15480E-02 5659 0.258E-01 0.250E-01 RMM: 4 -0.341495571739E+03 0.48538E-03 -0.13526E-03 4802 0.793E-02 0.125E-01 RMM: 5 -0.341495514534E+03 0.57204E-04 -0.19066E-04 3949 0.328E-02 0.101E-01 RMM: 6 -0.341495450408E+03 0.64126E-04 -0.41640E-05 3059 0.195E-02 0.442E-02 RMM: 7 -0.341495460903E+03 -0.10495E-04 -0.25461E-05 2589 0.148E-02 5173 T= 6691. E= 0.67554003E+03 F= 0.61477353E+03 E0= 0.64299530E+03 EK= 0.54485E+02 SP= 0.62E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342029914770E+03 -0.53446E+00 -0.17239E-01 8496 0.245E+01 0.226E-01 RMM: 2 -0.342053810656E+03 -0.23896E-01 -0.17711E-01 5178 0.926E-01 0.107E+00 RMM: 3 -0.342045098244E+03 0.87124E-02 -0.16440E-02 5870 0.251E-01 0.216E-01 RMM: 4 -0.342044612974E+03 0.48527E-03 -0.10092E-03 4818 0.695E-02 0.104E-01 RMM: 5 -0.342044550280E+03 0.62694E-04 -0.14395E-04 4018 0.296E-02 0.794E-02 RMM: 6 -0.342044516857E+03 0.33423E-04 -0.30667E-05 2777 0.167E-02 0.517E-02 RMM: 7 -0.342044520412E+03 -0.35551E-05 -0.32352E-05 2644 0.166E-02 5174 T= 6739. E= 0.67553973E+03 F= 0.61422447E+03 E0= 0.64246694E+03 EK= 0.54882E+02 SP= 0.64E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342420860644E+03 -0.37634E+00 -0.14856E-01 8632 0.246E+01 0.189E-01 RMM: 2 -0.342437880882E+03 -0.17020E-01 -0.13492E-01 5330 0.791E-01 0.841E-01 RMM: 3 -0.342432075688E+03 0.58052E-02 -0.10804E-02 5881 0.207E-01 0.155E-01 RMM: 4 -0.342431847135E+03 0.22855E-03 -0.66338E-04 4797 0.561E-02 0.110E-01 RMM: 5 -0.342431765561E+03 0.81574E-04 -0.92366E-05 3662 0.252E-02 0.667E-02 RMM: 6 -0.342431745196E+03 0.20364E-04 -0.23970E-05 2577 0.149E-02 0.482E-02 RMM: 7 -0.342431743277E+03 0.19193E-05 -0.40516E-05 2699 0.176E-02 5175 T= 6767. E= 0.67553913E+03 F= 0.61383725E+03 E0= 0.64209924E+03 EK= 0.55107E+02 SP= 0.65E+01 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342649326437E+03 -0.21758E+00 -0.13778E-01 8480 0.246E+01 0.171E-01 RMM: 2 -0.342663375739E+03 -0.14049E-01 -0.11767E-01 5271 0.748E-01 0.719E-01 RMM: 3 -0.342659138179E+03 0.42376E-02 -0.94763E-03 5990 0.191E-01 0.152E-01 RMM: 4 -0.342658927355E+03 0.21082E-03 -0.53782E-04 4630 0.530E-02 0.112E-01 RMM: 5 -0.342658838718E+03 0.88636E-04 -0.89514E-05 3597 0.253E-02 0.648E-02 RMM: 6 -0.342658818333E+03 0.20385E-04 -0.24950E-05 2620 0.154E-02 0.446E-02 RMM: 7 -0.342658815525E+03 0.28083E-05 -0.33289E-05 2624 0.162E-02 5176 T= 6773. E= 0.67553738E+03 F= 0.61361017E+03 E0= 0.64188918E+03 EK= 0.55159E+02 SP= 0.67E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342701881442E+03 -0.43063E-01 -0.13199E-01 8432 0.246E+01 0.161E-01 RMM: 2 -0.342715179014E+03 -0.13298E-01 -0.11367E-01 5215 0.743E-01 0.672E-01 RMM: 3 -0.342711441118E+03 0.37379E-02 -0.95893E-03 6023 0.190E-01 0.124E-01 RMM: 4 -0.342711269153E+03 0.17197E-03 -0.46595E-04 4582 0.492E-02 0.109E-01 RMM: 5 -0.342711187289E+03 0.81863E-04 -0.73066E-05 3458 0.249E-02 0.604E-02 RMM: 6 -0.342711173640E+03 0.13649E-04 -0.23729E-05 2557 0.146E-02 5177 T= 6757. E= 0.67553521E+03 F= 0.61355782E+03 E0= 0.64184873E+03 EK= 0.55026E+02 SP= 0.69E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342552139058E+03 0.15905E+00 -0.12982E-01 8320 0.246E+01 0.182E-01 RMM: 2 -0.342568601181E+03 -0.16462E-01 -0.11620E-01 5252 0.746E-01 0.922E-01 RMM: 3 -0.342561919072E+03 0.66821E-02 -0.10280E-02 5563 0.210E-01 0.173E-01 RMM: 4 -0.342561673235E+03 0.24584E-03 -0.70474E-04 4910 0.550E-02 0.897E-02 RMM: 5 -0.342561618200E+03 0.55035E-04 -0.76456E-05 3612 0.240E-02 0.654E-02 RMM: 6 -0.342561608268E+03 0.99318E-05 -0.21733E-05 2544 0.139E-02 5178 T= 6715. E= 0.67553411E+03 F= 0.61370738E+03 E0= 0.64200434E+03 EK= 0.54682E+02 SP= 0.71E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342175929357E+03 0.38569E+00 -0.12727E-01 8184 0.244E+01 0.312E-01 RMM: 2 -0.342207179354E+03 -0.31250E-01 -0.12791E-01 4999 0.831E-01 0.173E+00 RMM: 3 -0.342186264248E+03 0.20915E-01 -0.16080E-02 5383 0.294E-01 0.314E-01 RMM: 4 -0.342185534881E+03 0.72937E-03 -0.17273E-03 4886 0.848E-02 0.912E-02 RMM: 5 -0.342185496704E+03 0.38178E-04 -0.18742E-04 4443 0.304E-02 0.863E-02 RMM: 6 -0.342185464395E+03 0.32309E-04 -0.25776E-05 2584 0.152E-02 0.642E-02 RMM: 7 -0.342185486742E+03 -0.22347E-04 -0.40459E-05 2961 0.186E-02 0.944E-02 RMM: 8 -0.342185422853E+03 0.63889E-04 -0.98160E-05 3886 0.212E-02 0.290E-02 RMM: 9 -0.342185428536E+03 -0.56828E-05 -0.20583E-05 2580 0.126E-02 5179 T= 6644. E= 0.67553416E+03 F= 0.61408356E+03 E0= 0.64238051E+03 EK= 0.54106E+02 SP= 0.73E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341562885888E+03 0.62254E+00 -0.11695E-01 7848 0.242E+01 0.279E-01 RMM: 2 -0.341586129351E+03 -0.23243E-01 -0.11882E-01 5129 0.745E-01 0.137E+00 RMM: 3 -0.341572151869E+03 0.13977E-01 -0.12445E-02 5387 0.252E-01 0.275E-01 RMM: 4 -0.341571784716E+03 0.36715E-03 -0.16070E-03 4875 0.887E-02 0.174E-01 RMM: 5 -0.341571665313E+03 0.11940E-03 -0.24154E-04 3904 0.391E-02 0.130E-01 RMM: 6 -0.341571553330E+03 0.11198E-03 -0.61211E-05 3373 0.236E-02 0.338E-02 RMM: 7 -0.341571560822E+03 -0.74917E-05 -0.23653E-05 2584 0.146E-02 5180 T= 6544. E= 0.67553537E+03 F= 0.61469743E+03 E0= 0.64298800E+03 EK= 0.53290E+02 SP= 0.75E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340716470252E+03 0.85508E+00 -0.11246E-01 8264 0.239E+01 0.174E-01 RMM: 2 -0.340732719042E+03 -0.16249E-01 -0.11953E-01 5188 0.744E-01 0.887E-01 RMM: 3 -0.340726379629E+03 0.63394E-02 -0.10710E-02 5756 0.209E-01 0.190E-01 RMM: 4 -0.340726058334E+03 0.32129E-03 -0.65671E-04 4802 0.553E-02 0.789E-02 RMM: 5 -0.340726020314E+03 0.38021E-04 -0.72231E-05 3546 0.223E-02 0.696E-02 RMM: 6 -0.340726010222E+03 0.10091E-04 -0.19325E-05 2525 0.132E-02 5181 T= 6416. E= 0.67553828E+03 F= 0.61554298E+03 E0= 0.64382156E+03 EK= 0.52246E+02 SP= 0.77E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339665663036E+03 0.10604E+01 -0.11470E-01 8208 0.235E+01 0.275E-01 RMM: 2 -0.339691960538E+03 -0.26298E-01 -0.11993E-01 5179 0.751E-01 0.153E+00 RMM: 3 -0.339675037110E+03 0.16923E-01 -0.13419E-02 5394 0.262E-01 0.252E-01 RMM: 4 -0.339674571673E+03 0.46544E-03 -0.12762E-03 4920 0.702E-02 0.961E-02 RMM: 5 -0.339674516465E+03 0.55208E-04 -0.11368E-04 3869 0.282E-02 0.814E-02 RMM: 6 -0.339674495134E+03 0.21331E-04 -0.25170E-05 2574 0.147E-02 0.729E-02 RMM: 7 -0.339674523452E+03 -0.28318E-04 -0.66777E-05 3494 0.222E-02 0.106E-01 RMM: 8 -0.339674442655E+03 0.80797E-04 -0.13337E-04 3886 0.235E-02 0.372E-02 RMM: 9 -0.339674436700E+03 0.59546E-05 -0.19693E-05 2567 0.121E-02 5182 T= 6263. E= 0.67554260E+03 F= 0.61659455E+03 E0= 0.64485765E+03 EK= 0.51005E+02 SP= 0.79E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338453609461E+03 0.12208E+01 -0.11567E-01 8088 0.232E+01 0.292E-01 RMM: 2 -0.338477030314E+03 -0.23421E-01 -0.13687E-01 5041 0.797E-01 0.130E+00 RMM: 3 -0.338464305562E+03 0.12725E-01 -0.14514E-02 5432 0.266E-01 0.263E-01 RMM: 4 -0.338463987482E+03 0.31808E-03 -0.16752E-03 4912 0.897E-02 0.189E-01 RMM: 5 -0.338463820372E+03 0.16711E-03 -0.26248E-04 3928 0.402E-02 0.124E-01 RMM: 6 -0.338463725049E+03 0.95323E-04 -0.67832E-05 3447 0.243E-02 0.400E-02 RMM: 7 -0.338463736981E+03 -0.11932E-04 -0.26835E-05 2637 0.152E-02 5183 T= 6093. E= 0.67554848E+03 F= 0.61780525E+03 E0= 0.64604826E+03 EK= 0.49620E+02 SP= 0.81E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337150732830E+03 0.13130E+01 -0.11765E-01 8464 0.227E+01 0.178E-01 RMM: 2 -0.337168611730E+03 -0.17879E-01 -0.13480E-01 5243 0.779E-01 0.889E-01 RMM: 3 -0.337161969304E+03 0.66424E-02 -0.11792E-02 5847 0.216E-01 0.170E-01 RMM: 4 -0.337161667961E+03 0.30134E-03 -0.67413E-04 4808 0.559E-02 0.849E-02 RMM: 5 -0.337161626387E+03 0.41574E-04 -0.79022E-05 3636 0.241E-02 0.649E-02 RMM: 6 -0.337161612000E+03 0.14386E-04 -0.20015E-05 2542 0.135E-02 5184 T= 5915. E= 0.67555567E+03 F= 0.61910738E+03 E0= 0.64732772E+03 EK= 0.48164E+02 SP= 0.82E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335841742570E+03 0.13199E+01 -0.12226E-01 8200 0.224E+01 0.251E-01 RMM: 2 -0.335866874810E+03 -0.25132E-01 -0.14542E-01 4997 0.828E-01 0.133E+00 RMM: 3 -0.335853807722E+03 0.13067E-01 -0.15457E-02 5569 0.263E-01 0.240E-01 RMM: 4 -0.335853295108E+03 0.51261E-03 -0.11816E-03 4950 0.699E-02 0.953E-02 RMM: 5 -0.335853243588E+03 0.51520E-04 -0.12149E-04 3934 0.284E-02 0.769E-02 RMM: 6 -0.335853221818E+03 0.21770E-04 -0.22575E-05 2552 0.137E-02 0.683E-02 RMM: 7 -0.335853239209E+03 -0.17391E-04 -0.45563E-05 3081 0.193E-02 5185 T= 5738. E= 0.67556222E+03 F= 0.62041575E+03 E0= 0.64861134E+03 EK= 0.46727E+02 SP= 0.84E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334619147267E+03 0.12341E+01 -0.12184E-01 8392 0.220E+01 0.284E-01 RMM: 2 -0.334644209609E+03 -0.25062E-01 -0.13905E-01 4967 0.821E-01 0.137E+00 RMM: 3 -0.334630403255E+03 0.13806E-01 -0.15546E-02 5443 0.278E-01 0.276E-01 RMM: 4 -0.334629887109E+03 0.51615E-03 -0.15363E-03 4911 0.831E-02 0.130E-01 RMM: 5 -0.334629914294E+03 -0.27185E-04 -0.25535E-04 3917 0.406E-02 0.150E-01 RMM: 6 -0.334629766424E+03 0.14787E-03 -0.90935E-05 3600 0.278E-02 0.394E-02 RMM: 7 -0.334629768673E+03 -0.22481E-05 -0.20899E-05 2559 0.140E-02 5186 T= 5575. E= 0.67556873E+03 F= 0.62163922E+03 E0= 0.64980910E+03 EK= 0.45403E+02 SP= 0.85E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333567847402E+03 0.10619E+01 -0.12640E-01 8496 0.217E+01 0.258E-01 RMM: 2 -0.333592108231E+03 -0.24261E-01 -0.14813E-01 4981 0.853E-01 0.128E+00 RMM: 3 -0.333579988445E+03 0.12120E-01 -0.15880E-02 5604 0.270E-01 0.228E-01 RMM: 4 -0.333579507953E+03 0.48049E-03 -0.12044E-03 5089 0.693E-02 0.987E-02 RMM: 5 -0.333579454119E+03 0.53834E-04 -0.13793E-04 3847 0.321E-02 0.801E-02 RMM: 6 -0.333579412075E+03 0.42044E-04 -0.32353E-05 2793 0.169E-02 0.487E-02 RMM: 7 -0.333579410047E+03 0.20283E-05 -0.37497E-05 2739 0.175E-02 5187 T= 5438. E= 0.67557425E+03 F= 0.62268958E+03 E0= 0.65083494E+03 EK= 0.44284E+02 SP= 0.86E+01 SK= 0.89E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332767716330E+03 0.81170E+00 -0.12089E-01 8576 0.215E+01 0.215E-01 RMM: 2 -0.332788728153E+03 -0.21012E-01 -0.13549E-01 4955 0.829E-01 0.113E+00 RMM: 3 -0.332779299922E+03 0.94282E-02 -0.14140E-02 5649 0.248E-01 0.212E-01 RMM: 4 -0.332778862998E+03 0.43692E-03 -0.10391E-03 4802 0.691E-02 0.837E-02 RMM: 5 -0.332778843536E+03 0.19462E-04 -0.13823E-04 3889 0.297E-02 5188 T= 5336. E= 0.67557907E+03 F= 0.62349015E+03 E0= 0.65161392E+03 EK= 0.43450E+02 SP= 0.86E+01 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332276007653E+03 0.50286E+00 -0.11745E-01 8440 0.214E+01 0.141E-01 RMM: 2 -0.332292279668E+03 -0.16272E-01 -0.13656E-01 5137 0.821E-01 0.703E-01 RMM: 3 -0.332288088441E+03 0.41912E-02 -0.13163E-02 5896 0.219E-01 0.152E-01 RMM: 4 -0.332287759061E+03 0.32938E-03 -0.56202E-04 4964 0.518E-02 0.907E-02 RMM: 5 -0.332287704324E+03 0.54738E-04 -0.62761E-05 3220 0.233E-02 0.771E-02 RMM: 6 -0.332287688818E+03 0.15506E-04 -0.30920E-05 2684 0.170E-02 5189 T= 5275. E= 0.67558216E+03 F= 0.62398130E+03 E0= 0.65208821E+03 EK= 0.42960E+02 SP= 0.86E+01 SK= 0.94E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332133637336E+03 0.15407E+00 -0.10710E-01 8320 0.215E+01 0.356E-01 RMM: 2 -0.332176545651E+03 -0.42908E-01 -0.13008E-01 4773 0.853E-01 0.216E+00 RMM: 3 -0.332143751193E+03 0.32794E-01 -0.18816E-02 5401 0.324E-01 0.304E-01 RMM: 4 -0.332143065584E+03 0.68561E-03 -0.21663E-03 5129 0.925E-02 0.101E-01 RMM: 5 -0.332143086405E+03 -0.20821E-04 -0.25771E-04 3949 0.353E-02 0.124E-01 RMM: 6 -0.332142987687E+03 0.98718E-04 -0.61931E-05 3347 0.231E-02 0.415E-02 RMM: 7 -0.332142983788E+03 0.38989E-05 -0.16866E-05 2521 0.125E-02 5190 T= 5262. E= 0.67558335E+03 F= 0.62412601E+03 E0= 0.65222316E+03 EK= 0.42853E+02 SP= 0.86E+01 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332349580023E+03 -0.20659E+00 -0.10331E-01 8056 0.216E+01 0.351E-01 RMM: 2 -0.332394812524E+03 -0.45233E-01 -0.12081E-01 4996 0.798E-01 0.228E+00 RMM: 3 -0.332358812052E+03 0.36000E-01 -0.18245E-02 5382 0.326E-01 0.309E-01 RMM: 4 -0.332358102926E+03 0.70913E-03 -0.21323E-03 5087 0.915E-02 0.119E-01 RMM: 5 -0.332358052572E+03 0.50354E-04 -0.22684E-04 3907 0.356E-02 0.111E-01 RMM: 6 -0.332357963275E+03 0.89297E-04 -0.52949E-05 3231 0.213E-02 0.458E-02 RMM: 7 -0.332357961747E+03 0.15272E-05 -0.23093E-05 2569 0.141E-02 5191 T= 5298. E= 0.67558263E+03 F= 0.62391103E+03 E0= 0.65200740E+03 EK= 0.43142E+02 SP= 0.85E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332912565889E+03 -0.55460E+00 -0.95162E-02 8192 0.218E+01 0.240E-01 RMM: 2 -0.332932775628E+03 -0.20210E-01 -0.82986E-02 5033 0.670E-01 0.140E+00 RMM: 3 -0.332919213654E+03 0.13562E-01 -0.10308E-02 5405 0.236E-01 0.246E-01 RMM: 4 -0.332918783690E+03 0.42996E-03 -0.10682E-03 4758 0.660E-02 0.729E-02 RMM: 5 -0.332918768123E+03 0.15567E-04 -0.12623E-04 3851 0.288E-02 5192 T= 5380. E= 0.67557969E+03 F= 0.62335022E+03 E0= 0.65145519E+03 EK= 0.43814E+02 SP= 0.84E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333771792409E+03 -0.85301E+00 -0.92456E-02 7816 0.221E+01 0.159E-01 RMM: 2 -0.333785360298E+03 -0.13568E-01 -0.86828E-02 5017 0.673E-01 0.914E-01 RMM: 3 -0.333779311698E+03 0.60486E-02 -0.92166E-03 5633 0.192E-01 0.146E-01 RMM: 4 -0.333779100154E+03 0.21154E-03 -0.59525E-04 4653 0.513E-02 0.879E-02 RMM: 5 -0.333779050608E+03 0.49546E-04 -0.64254E-05 3389 0.227E-02 0.665E-02 RMM: 6 -0.333779039912E+03 0.10696E-04 -0.20711E-05 2522 0.137E-02 5193 T= 5504. E= 0.67557462E+03 F= 0.62248995E+03 E0= 0.65061353E+03 EK= 0.44821E+02 SP= 0.82E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334853824376E+03 -0.10748E+01 -0.93489E-02 7632 0.226E+01 0.266E-01 RMM: 2 -0.334873975230E+03 -0.20151E-01 -0.78874E-02 4810 0.690E-01 0.142E+00 RMM: 3 -0.334860181099E+03 0.13794E-01 -0.11062E-02 5363 0.248E-01 0.273E-01 RMM: 4 -0.334859668828E+03 0.51227E-03 -0.12421E-03 4670 0.731E-02 0.920E-02 RMM: 5 -0.334859658670E+03 0.10158E-04 -0.17927E-04 3894 0.342E-02 5194 T= 5659. E= 0.67556773E+03 F= 0.62140933E+03 E0= 0.64955972E+03 EK= 0.46084E+02 SP= 0.80E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336048384765E+03 -0.11887E+01 -0.98251E-02 7656 0.230E+01 0.265E-01 RMM: 2 -0.336068872280E+03 -0.20488E-01 -0.80415E-02 4928 0.705E-01 0.143E+00 RMM: 3 -0.336054952530E+03 0.13920E-01 -0.11403E-02 5366 0.249E-01 0.285E-01 RMM: 4 -0.336054398586E+03 0.55394E-03 -0.12339E-03 4718 0.733E-02 0.905E-02 RMM: 5 -0.336054363180E+03 0.35406E-04 -0.16444E-04 3889 0.326E-02 0.862E-02 RMM: 6 -0.336054313819E+03 0.49361E-04 -0.39487E-05 2988 0.192E-02 0.359E-02 RMM: 7 -0.336054316349E+03 -0.25300E-05 -0.18879E-05 2517 0.132E-02 5195 T= 5832. E= 0.67555986E+03 F= 0.62021467E+03 E0= 0.64839882E+03 EK= 0.47493E+02 SP= 0.77E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337231345898E+03 -0.11770E+01 -0.11053E-01 7712 0.234E+01 0.203E-01 RMM: 2 -0.337248372593E+03 -0.17027E-01 -0.10580E-01 4696 0.795E-01 0.108E+00 RMM: 3 -0.337240335179E+03 0.80374E-02 -0.12408E-02 5585 0.224E-01 0.177E-01 RMM: 4 -0.337240044334E+03 0.29084E-03 -0.86208E-04 4839 0.632E-02 0.895E-02 RMM: 5 -0.337240002206E+03 0.42128E-04 -0.12809E-04 3823 0.310E-02 0.645E-02 RMM: 6 -0.337239976496E+03 0.25710E-04 -0.28433E-05 2656 0.159E-02 0.258E-02 RMM: 7 -0.337239977979E+03 -0.14832E-05 -0.12366E-05 2479 0.116E-02 5196 T= 6008. E= 0.67555112E+03 F= 0.61902901E+03 E0= 0.64725001E+03 EK= 0.48923E+02 SP= 0.74E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338283930626E+03 -0.10440E+01 -0.10278E-01 7944 0.238E+01 0.143E-01 RMM: 2 -0.338292536518E+03 -0.86059E-02 -0.71676E-02 4933 0.655E-01 0.603E-01 RMM: 3 -0.338290106158E+03 0.24304E-02 -0.81216E-03 5787 0.172E-01 0.120E-01 RMM: 4 -0.338289961545E+03 0.14461E-03 -0.42238E-04 4416 0.486E-02 0.101E-01 RMM: 5 -0.338289885145E+03 0.76400E-04 -0.75966E-05 3517 0.258E-02 0.517E-02 RMM: 6 -0.338289871922E+03 0.13223E-04 -0.19983E-05 2523 0.130E-02 5197 T= 6170. E= 0.67554328E+03 F= 0.61797912E+03 E0= 0.64623757E+03 EK= 0.50242E+02 SP= 0.71E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339084267562E+03 -0.79438E+00 -0.10318E-01 7800 0.241E+01 0.135E-01 RMM: 2 -0.339093098100E+03 -0.88305E-02 -0.69854E-02 4969 0.631E-01 0.644E-01 RMM: 3 -0.339090295392E+03 0.28027E-02 -0.77070E-03 5796 0.167E-01 0.128E-01 RMM: 4 -0.339090109600E+03 0.18579E-03 -0.38054E-04 4382 0.445E-02 0.750E-02 RMM: 5 -0.339090068809E+03 0.40791E-04 -0.52084E-05 3191 0.224E-02 0.526E-02 RMM: 6 -0.339090061070E+03 0.77390E-05 -0.19424E-05 2510 0.131E-02 5198 T= 6304. E= 0.67553718E+03 F= 0.61717893E+03 E0= 0.64547305E+03 EK= 0.51332E+02 SP= 0.68E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339545752733E+03 -0.45568E+00 -0.10850E-01 7640 0.243E+01 0.234E-01 RMM: 2 -0.339562859714E+03 -0.17107E-01 -0.80012E-02 4946 0.697E-01 0.124E+00 RMM: 3 -0.339552153222E+03 0.10706E-01 -0.10150E-02 5441 0.226E-01 0.229E-01 RMM: 4 -0.339551772636E+03 0.38059E-03 -0.10024E-03 4655 0.673E-02 0.796E-02 RMM: 5 -0.339551739761E+03 0.32876E-04 -0.12480E-04 3920 0.276E-02 0.741E-02 RMM: 6 -0.339551710000E+03 0.29760E-04 -0.23536E-05 2560 0.151E-02 0.399E-02 RMM: 7 -0.339551709916E+03 0.83935E-07 -0.13805E-05 2495 0.117E-02 5199 T= 6398. E= 0.67553380E+03 F= 0.61671728E+03 E0= 0.64504314E+03 EK= 0.52100E+02 SP= 0.65E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339614232583E+03 -0.62523E-01 -0.11408E-01 7768 0.244E+01 0.192E-01 RMM: 2 -0.339629104852E+03 -0.14872E-01 -0.87641E-02 4879 0.708E-01 0.103E+00 RMM: 3 -0.339621661613E+03 0.74432E-02 -0.10254E-02 5513 0.214E-01 0.204E-01 RMM: 4 -0.339621359757E+03 0.30186E-03 -0.88411E-04 4676 0.656E-02 0.955E-02 RMM: 5 -0.339621318208E+03 0.41549E-04 -0.12786E-04 3846 0.303E-02 0.727E-02 RMM: 6 -0.339621282978E+03 0.35230E-04 -0.25784E-05 2641 0.155E-02 0.331E-02 RMM: 7 -0.339621282969E+03 0.94751E-08 -0.15131E-05 2492 0.125E-02 5200 T= 6445. E= 0.67553321E+03 F= 0.61664771E+03 E0= 0.64499901E+03 EK= 0.52485E+02 SP= 0.62E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339275237971E+03 0.34605E+00 -0.11868E-01 7704 0.244E+01 0.177E-01 RMM: 2 -0.339288882647E+03 -0.13645E-01 -0.10186E-01 4794 0.769E-01 0.835E-01 RMM: 3 -0.339284069199E+03 0.48134E-02 -0.12211E-02 5797 0.213E-01 0.148E-01 RMM: 4 -0.339283797649E+03 0.27155E-03 -0.63451E-04 4864 0.558E-02 0.851E-02 RMM: 5 -0.339283752795E+03 0.44854E-04 -0.84657E-05 3660 0.253E-02 0.656E-02 RMM: 6 -0.339283731090E+03 0.21704E-04 -0.23710E-05 2557 0.148E-02 0.381E-02 RMM: 7 -0.339283730829E+03 0.26160E-06 -0.15445E-05 2511 0.116E-02 5201 T= 6443. E= 0.67553572E+03 F= 0.61698526E+03 E0= 0.64535426E+03 EK= 0.52469E+02 SP= 0.59E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338556833561E+03 0.72690E+00 -0.11436E-01 7808 0.243E+01 0.150E-01 RMM: 2 -0.338567845575E+03 -0.11012E-01 -0.94897E-02 4812 0.733E-01 0.629E-01 RMM: 3 -0.338565121315E+03 0.27243E-02 -0.11055E-02 5985 0.196E-01 0.119E-01 RMM: 4 -0.338564894455E+03 0.22686E-03 -0.47595E-04 4671 0.516E-02 0.966E-02 RMM: 5 -0.338564833485E+03 0.60970E-04 -0.69928E-05 3436 0.255E-02 0.486E-02 RMM: 6 -0.338564822847E+03 0.10638E-04 -0.19223E-05 2523 0.130E-02 5202 T= 6395. E= 0.67554112E+03 F= 0.61770417E+03 E0= 0.64608304E+03 EK= 0.52076E+02 SP= 0.55E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337519696965E+03 0.10451E+01 -0.11598E-01 7576 0.240E+01 0.161E-01 RMM: 2 -0.337534199573E+03 -0.14503E-01 -0.11326E-01 4797 0.790E-01 0.795E-01 RMM: 3 -0.337529783385E+03 0.44162E-02 -0.13375E-02 5906 0.215E-01 0.162E-01 RMM: 4 -0.337529421100E+03 0.36229E-03 -0.59916E-04 4732 0.570E-02 0.803E-02 RMM: 5 -0.337529377568E+03 0.43532E-04 -0.79281E-05 3634 0.250E-02 0.600E-02 RMM: 6 -0.337529362855E+03 0.14713E-04 -0.22406E-05 2536 0.143E-02 5203 T= 6308. E= 0.67554874E+03 F= 0.61873963E+03 E0= 0.64711984E+03 EK= 0.51369E+02 SP= 0.52E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336265491965E+03 0.12639E+01 -0.11299E-01 7656 0.237E+01 0.270E-01 RMM: 2 -0.336290888295E+03 -0.25396E-01 -0.10479E-01 4918 0.787E-01 0.154E+00 RMM: 3 -0.336273952338E+03 0.16936E-01 -0.13742E-02 5454 0.266E-01 0.244E-01 RMM: 4 -0.336273474371E+03 0.47797E-03 -0.12785E-03 4752 0.740E-02 0.714E-02 RMM: 5 -0.336273457697E+03 0.16673E-04 -0.14649E-04 4278 0.278E-02 5204 T= 6195. E= 0.67555864E+03 F= 0.61999553E+03 E0= 0.64836944E+03 EK= 0.50446E+02 SP= 0.49E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334905687242E+03 0.13678E+01 -0.11267E-01 7888 0.234E+01 0.173E-01 RMM: 2 -0.334920769575E+03 -0.15082E-01 -0.10629E-01 5009 0.749E-01 0.875E-01 RMM: 3 -0.334915064795E+03 0.57048E-02 -0.11574E-02 5648 0.216E-01 0.193E-01 RMM: 4 -0.334914733559E+03 0.33124E-03 -0.77734E-04 4695 0.611E-02 0.857E-02 RMM: 5 -0.334914689761E+03 0.43798E-04 -0.98390E-05 3760 0.259E-02 0.627E-02 RMM: 6 -0.334914675680E+03 0.14080E-04 -0.21517E-05 2549 0.137E-02 5205 T= 6069. E= 0.67556938E+03 F= 0.62135431E+03 E0= 0.64971491E+03 EK= 0.49426E+02 SP= 0.45E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333571230615E+03 0.13435E+01 -0.11772E-01 7752 0.230E+01 0.272E-01 RMM: 2 -0.333595055373E+03 -0.23825E-01 -0.12435E-01 4771 0.850E-01 0.140E+00 RMM: 3 -0.333581732106E+03 0.13323E-01 -0.16134E-02 5530 0.274E-01 0.248E-01 RMM: 4 -0.333581222321E+03 0.50979E-03 -0.13390E-03 4856 0.759E-02 0.963E-02 RMM: 5 -0.333581218177E+03 0.41446E-05 -0.18059E-04 3895 0.335E-02 5206 T= 5948. E= 0.67558024E+03 F= 0.62268777E+03 E0= 0.65103005E+03 EK= 0.48439E+02 SP= 0.42E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332385572855E+03 0.11956E+01 -0.11800E-01 7784 0.227E+01 0.233E-01 RMM: 2 -0.332409996204E+03 -0.24423E-01 -0.14043E-01 4807 0.888E-01 0.132E+00 RMM: 3 -0.332398005484E+03 0.11991E-01 -0.17204E-02 5562 0.272E-01 0.237E-01 RMM: 4 -0.332397515463E+03 0.49002E-03 -0.12574E-03 4933 0.737E-02 0.904E-02 RMM: 5 -0.332397470271E+03 0.45191E-04 -0.16452E-04 4118 0.323E-02 0.719E-02 RMM: 6 -0.332397440279E+03 0.29992E-04 -0.33654E-05 2829 0.172E-02 0.414E-02 RMM: 7 -0.332397452031E+03 -0.11751E-04 -0.26906E-05 2565 0.157E-02 5207 T= 5847. E= 0.67558964E+03 F= 0.62387154E+03 E0= 0.65219141E+03 EK= 0.47614E+02 SP= 0.38E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331459786112E+03 0.93765E+00 -0.12704E-01 7816 0.224E+01 0.203E-01 RMM: 2 -0.331479405828E+03 -0.19620E-01 -0.14660E-01 4722 0.918E-01 0.958E-01 RMM: 3 -0.331472816125E+03 0.65897E-02 -0.17507E-02 5849 0.248E-01 0.160E-01 RMM: 4 -0.331472459519E+03 0.35661E-03 -0.90876E-04 4880 0.683E-02 0.117E-01 RMM: 5 -0.331472403019E+03 0.56500E-04 -0.13982E-04 3857 0.313E-02 0.832E-02 RMM: 6 -0.331472357635E+03 0.45384E-04 -0.36772E-05 2959 0.184E-02 0.199E-02 RMM: 7 -0.331472360212E+03 -0.25777E-05 -0.11601E-05 2488 0.110E-02 5208 T= 5779. E= 0.67559548E+03 F= 0.62479663E+03 E0= 0.65309305E+03 EK= 0.47062E+02 SP= 0.34E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330872058219E+03 0.60030E+00 -0.12293E-01 7848 0.223E+01 0.155E-01 RMM: 2 -0.330888901230E+03 -0.16843E-01 -0.14518E-01 4762 0.900E-01 0.707E-01 RMM: 3 -0.330885212127E+03 0.36891E-02 -0.16797E-02 6029 0.233E-01 0.149E-01 RMM: 4 -0.330884803990E+03 0.40814E-03 -0.67679E-04 4832 0.622E-02 0.837E-02 RMM: 5 -0.330884752913E+03 0.51077E-04 -0.96704E-05 3702 0.282E-02 0.586E-02 RMM: 6 -0.330884735063E+03 0.17850E-04 -0.25215E-05 2557 0.150E-02 5209 T= 5755. E= 0.67559853E+03 F= 0.62538425E+03 E0= 0.65365737E+03 EK= 0.46865E+02 SP= 0.29E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330665878577E+03 0.21887E+00 -0.10700E-01 7864 0.223E+01 0.149E-01 RMM: 2 -0.330679586404E+03 -0.13708E-01 -0.10495E-01 4894 0.756E-01 0.771E-01 RMM: 3 -0.330675217144E+03 0.43693E-02 -0.11707E-02 5843 0.207E-01 0.141E-01 RMM: 4 -0.330674957577E+03 0.25957E-03 -0.52921E-04 4680 0.517E-02 0.723E-02 RMM: 5 -0.330674927813E+03 0.29764E-04 -0.66574E-05 3393 0.240E-02 0.556E-02 RMM: 6 -0.330674918122E+03 0.96907E-05 -0.22280E-05 2528 0.143E-02 5210 T= 5780. E= 0.67559854E+03 F= 0.62559407E+03 E0= 0.65384531E+03 EK= 0.47069E+02 SP= 0.25E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330833154463E+03 -0.15823E+00 -0.10884E-01 7864 0.225E+01 0.286E-01 RMM: 2 -0.330860013456E+03 -0.26859E-01 -0.11330E-01 4866 0.813E-01 0.159E+00 RMM: 3 -0.330842413276E+03 0.17600E-01 -0.15288E-02 5434 0.282E-01 0.281E-01 RMM: 4 -0.330841798741E+03 0.61453E-03 -0.15046E-03 4935 0.806E-02 0.714E-02 RMM: 5 -0.330841813346E+03 -0.14605E-04 -0.18532E-04 3996 0.311E-02 5211 T= 5855. E= 0.67559686E+03 F= 0.62542718E+03 E0= 0.65365935E+03 EK= 0.47676E+02 SP= 0.20E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331337269073E+03 -0.49547E+00 -0.10944E-01 7816 0.228E+01 0.256E-01 RMM: 2 -0.331360780654E+03 -0.23512E-01 -0.10813E-01 5009 0.788E-01 0.143E+00 RMM: 3 -0.331346304956E+03 0.14476E-01 -0.13544E-02 5439 0.261E-01 0.255E-01 RMM: 4 -0.331345822155E+03 0.48280E-03 -0.12374E-03 4876 0.707E-02 0.817E-02 RMM: 5 -0.331345794287E+03 0.27868E-04 -0.14369E-04 3846 0.312E-02 0.832E-02 RMM: 6 -0.331345753400E+03 0.40887E-04 -0.30429E-05 2687 0.162E-02 0.461E-02 RMM: 7 -0.331345762436E+03 -0.90352E-05 -0.25497E-05 2563 0.152E-02 5212 T= 5974. E= 0.67559255E+03 F= 0.62492323E+03 E0= 0.65313869E+03 EK= 0.48648E+02 SP= 0.15E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332108103498E+03 -0.76235E+00 -0.11222E-01 7664 0.231E+01 0.223E-01 RMM: 2 -0.332124301883E+03 -0.16198E-01 -0.10662E-01 4853 0.786E-01 0.102E+00 RMM: 3 -0.332117078023E+03 0.72239E-02 -0.12506E-02 5643 0.230E-01 0.203E-01 RMM: 4 -0.332116772256E+03 0.30577E-03 -0.91335E-04 4757 0.671E-02 0.115E-01 RMM: 5 -0.332116734986E+03 0.37269E-04 -0.15896E-04 3850 0.323E-02 0.988E-02 RMM: 6 -0.332116670780E+03 0.64207E-04 -0.50316E-05 3241 0.211E-02 0.231E-02 RMM: 7 -0.332116674761E+03 -0.39810E-05 -0.14675E-05 2498 0.123E-02 5213 T= 6129. E= 0.67558601E+03 F= 0.62415231E+03 E0= 0.65235468E+03 EK= 0.49913E+02 SP= 0.92E+00 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333053738838E+03 -0.93707E+00 -0.11480E-01 7864 0.236E+01 0.202E-01 RMM: 2 -0.333069523973E+03 -0.15785E-01 -0.12560E-01 4962 0.850E-01 0.857E-01 RMM: 3 -0.333064563924E+03 0.49600E-02 -0.14545E-02 5906 0.226E-01 0.147E-01 RMM: 4 -0.333064264085E+03 0.29984E-03 -0.76341E-04 4873 0.619E-02 0.120E-01 RMM: 5 -0.333064166925E+03 0.97160E-04 -0.12237E-04 3812 0.291E-02 0.737E-02 RMM: 6 -0.333064135374E+03 0.31551E-04 -0.29393E-05 2639 0.160E-02 0.413E-02 RMM: 7 -0.333064126185E+03 0.91888E-05 -0.24744E-05 2512 0.152E-02 5214 T= 6310. E= 0.67557870E+03 F= 0.62320486E+03 E0= 0.65139678E+03 EK= 0.51383E+02 SP= 0.37E+00 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334076029456E+03 -0.10119E+01 -0.12447E-01 7768 0.240E+01 0.169E-01 RMM: 2 -0.334091505490E+03 -0.15476E-01 -0.13604E-01 4823 0.884E-01 0.689E-01 RMM: 3 -0.334088152993E+03 0.33525E-02 -0.15791E-02 6068 0.225E-01 0.146E-01 RMM: 4 -0.334087783942E+03 0.36905E-03 -0.64151E-04 4849 0.600E-02 0.953E-02 RMM: 5 -0.334087723801E+03 0.60141E-04 -0.96968E-05 3742 0.276E-02 0.633E-02 RMM: 6 -0.334087705352E+03 0.18449E-04 -0.24935E-05 2553 0.150E-02 5215 T= 6502. E= 0.67557171E+03 F= 0.62218128E+03 E0= 0.65036542E+03 EK= 0.52951E+02 SP= -.19E+00 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335079255638E+03 -0.99153E+00 -0.11750E-01 7640 0.245E+01 0.232E-01 RMM: 2 -0.335097942143E+03 -0.18687E-01 -0.11571E-01 4984 0.819E-01 0.114E+00 RMM: 3 -0.335089028744E+03 0.89134E-02 -0.13594E-02 5575 0.243E-01 0.190E-01 RMM: 4 -0.335088756750E+03 0.27199E-03 -0.98428E-04 4795 0.663E-02 0.111E-01 RMM: 5 -0.335088670578E+03 0.86172E-04 -0.13938E-04 3928 0.299E-02 0.740E-02 RMM: 6 -0.335088641157E+03 0.29421E-04 -0.29859E-05 2685 0.163E-02 0.453E-02 RMM: 7 -0.335088638811E+03 0.23461E-05 -0.23132E-05 2514 0.152E-02 5216 T= 6694. E= 0.67556503E+03 F= 0.62118035E+03 E0= 0.64935986E+03 EK= 0.54514E+02 SP= -.75E+00 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335967217804E+03 -0.87858E+00 -0.11666E-01 7544 0.249E+01 0.227E-01 RMM: 2 -0.335982679851E+03 -0.15462E-01 -0.96929E-02 5089 0.770E-01 0.105E+00 RMM: 3 -0.335975173610E+03 0.75062E-02 -0.10731E-02 5590 0.218E-01 0.216E-01 RMM: 4 -0.335974836713E+03 0.33690E-03 -0.92873E-04 4661 0.685E-02 0.115E-01 RMM: 5 -0.335974771589E+03 0.65125E-04 -0.15217E-04 3866 0.323E-02 0.888E-02 RMM: 6 -0.335974721533E+03 0.50056E-04 -0.33152E-05 2875 0.176E-02 0.357E-02 RMM: 7 -0.335974720776E+03 0.75735E-06 -0.23343E-05 2519 0.148E-02 5217 T= 6873. E= 0.67555927E+03 F= 0.62029427E+03 E0= 0.64847260E+03 EK= 0.55970E+02 SP= -.13E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336658664559E+03 -0.68394E+00 -0.12625E-01 7624 0.252E+01 0.203E-01 RMM: 2 -0.336673951605E+03 -0.15287E-01 -0.11122E-01 4972 0.814E-01 0.931E-01 RMM: 3 -0.336668122418E+03 0.58292E-02 -0.12699E-02 5771 0.221E-01 0.161E-01 RMM: 4 -0.336667865492E+03 0.25693E-03 -0.73646E-04 4727 0.617E-02 0.118E-01 RMM: 5 -0.336667773656E+03 0.91836E-04 -0.11999E-04 3784 0.291E-02 0.741E-02 RMM: 6 -0.336667743811E+03 0.29844E-04 -0.32756E-05 2837 0.173E-02 0.423E-02 RMM: 7 -0.336667743426E+03 0.38549E-06 -0.21791E-05 2521 0.143E-02 5218 T= 7028. E= 0.67555480E+03 F= 0.61960125E+03 E0= 0.64778155E+03 EK= 0.57234E+02 SP= -.18E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337100347134E+03 -0.43260E+00 -0.13044E-01 7728 0.256E+01 0.169E-01 RMM: 2 -0.337112084950E+03 -0.11738E-01 -0.10103E-01 4909 0.773E-01 0.658E-01 RMM: 3 -0.337108960621E+03 0.31243E-02 -0.11359E-02 5893 0.209E-01 0.140E-01 RMM: 4 -0.337108750421E+03 0.21020E-03 -0.53902E-04 4779 0.532E-02 0.108E-01 RMM: 5 -0.337108663181E+03 0.87240E-04 -0.88104E-05 3611 0.278E-02 0.585E-02 RMM: 6 -0.337108647574E+03 0.15607E-04 -0.24029E-05 2557 0.146E-02 5219 T= 7151. E= 0.67555215E+03 F= 0.61916034E+03 E0= 0.64734780E+03 EK= 0.58237E+02 SP= -.24E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337252299934E+03 -0.14364E+00 -0.13209E-01 7768 0.258E+01 0.184E-01 RMM: 2 -0.337268582274E+03 -0.16282E-01 -0.12160E-01 4817 0.835E-01 0.882E-01 RMM: 3 -0.337262836033E+03 0.57462E-02 -0.14046E-02 5742 0.235E-01 0.158E-01 RMM: 4 -0.337262545376E+03 0.29066E-03 -0.73617E-04 4744 0.613E-02 0.911E-02 RMM: 5 -0.337262489224E+03 0.56152E-04 -0.10020E-04 3898 0.279E-02 0.671E-02 RMM: 6 -0.337262470273E+03 0.18951E-04 -0.25565E-05 2556 0.153E-02 5220 T= 7237. E= 0.67555193E+03 F= 0.61900652E+03 E0= 0.64720726E+03 EK= 0.58937E+02 SP= -.29E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337116590348E+03 0.14590E+00 -0.12786E-01 7648 0.259E+01 0.286E-01 RMM: 2 -0.337142700887E+03 -0.26111E-01 -0.11566E-01 4763 0.848E-01 0.153E+00 RMM: 3 -0.337126029162E+03 0.16672E-01 -0.15855E-02 5403 0.296E-01 0.286E-01 RMM: 4 -0.337125449691E+03 0.57947E-03 -0.14756E-03 4834 0.799E-02 0.929E-02 RMM: 5 -0.337125417938E+03 0.31754E-04 -0.16760E-04 4025 0.321E-02 0.922E-02 RMM: 6 -0.337125366433E+03 0.51505E-04 -0.31404E-05 2679 0.165E-02 0.561E-02 RMM: 7 -0.337125375317E+03 -0.88840E-05 -0.35474E-05 2895 0.179E-02 5221 T= 7285. E= 0.67555441E+03 F= 0.61914361E+03 E0= 0.64736485E+03 EK= 0.59321E+02 SP= -.33E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336720364452E+03 0.40500E+00 -0.14188E-01 7576 0.260E+01 0.304E-01 RMM: 2 -0.336749328722E+03 -0.28964E-01 -0.15713E-01 4722 0.980E-01 0.148E+00 RMM: 3 -0.336733543465E+03 0.15785E-01 -0.20279E-02 5454 0.316E-01 0.310E-01 RMM: 4 -0.336732874899E+03 0.66857E-03 -0.19182E-03 5136 0.936E-02 0.119E-01 RMM: 5 -0.336732938618E+03 -0.63719E-04 -0.28145E-04 3968 0.378E-02 0.156E-01 RMM: 6 -0.336732777399E+03 0.16122E-03 -0.85843E-05 3568 0.266E-02 0.373E-02 RMM: 7 -0.336732774116E+03 0.32829E-05 -0.17578E-05 2525 0.123E-02 5222 T= 7297. E= 0.67555997E+03 F= 0.61953622E+03 E0= 0.64778482E+03 EK= 0.59422E+02 SP= -.38E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336141839585E+03 0.59094E+00 -0.14348E-01 7616 0.259E+01 0.252E-01 RMM: 2 -0.336166343213E+03 -0.24504E-01 -0.15952E-01 4718 0.985E-01 0.122E+00 RMM: 3 -0.336155752783E+03 0.10590E-01 -0.19480E-02 5572 0.292E-01 0.257E-01 RMM: 4 -0.336155214174E+03 0.53861E-03 -0.13422E-03 4891 0.787E-02 0.100E-01 RMM: 5 -0.336155168277E+03 0.45896E-04 -0.18447E-04 4076 0.348E-02 0.936E-02 RMM: 6 -0.336155110956E+03 0.57322E-04 -0.42780E-05 3031 0.190E-02 0.508E-02 RMM: 7 -0.336155115337E+03 -0.43809E-05 -0.41758E-05 2880 0.188E-02 5223 T= 7283. E= 0.67556694E+03 F= 0.62011387E+03 E0= 0.64839735E+03 EK= 0.59305E+02 SP= -.42E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335467557056E+03 0.68755E+00 -0.14266E-01 7584 0.258E+01 0.240E-01 RMM: 2 -0.335488635589E+03 -0.21079E-01 -0.14766E-01 4736 0.955E-01 0.108E+00 RMM: 3 -0.335480342069E+03 0.82935E-02 -0.18187E-02 5588 0.279E-01 0.210E-01 RMM: 4 -0.335479965113E+03 0.37696E-03 -0.11699E-03 4948 0.732E-02 0.979E-02 RMM: 5 -0.335479951000E+03 0.14113E-04 -0.16800E-04 3978 0.353E-02 5224 T= 7252. E= 0.67557432E+03 F= 0.62078904E+03 E0= 0.64911266E+03 EK= 0.59056E+02 SP= -.45E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334766483483E+03 0.71348E+00 -0.15100E-01 7600 0.256E+01 0.161E-01 RMM: 2 -0.334785104254E+03 -0.18621E-01 -0.16959E-01 4752 0.988E-01 0.629E-01 RMM: 3 -0.334781979366E+03 0.31249E-02 -0.19772E-02 6125 0.252E-01 0.162E-01 RMM: 4 -0.334781515894E+03 0.46347E-03 -0.72585E-04 4732 0.664E-02 0.994E-02 RMM: 5 -0.334781453597E+03 0.62297E-04 -0.10564E-04 3946 0.300E-02 0.832E-02 RMM: 6 -0.334781434039E+03 0.19558E-04 -0.34086E-05 2670 0.181E-02 5225 T= 7214. E= 0.67557941E+03 F= 0.62148756E+03 E0= 0.64985504E+03 EK= 0.58747E+02 SP= -.49E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334082432301E+03 0.69902E+00 -0.13968E-01 7672 0.255E+01 0.374E-01 RMM: 2 -0.334124433284E+03 -0.42001E-01 -0.15765E-01 4788 0.961E-01 0.207E+00 RMM: 3 -0.334094727489E+03 0.29706E-01 -0.22233E-02 5383 0.351E-01 0.317E-01 RMM: 4 -0.334094057170E+03 0.67032E-03 -0.24677E-03 5324 0.915E-02 0.103E-01 RMM: 5 -0.334094040442E+03 0.16727E-04 -0.22943E-04 3968 0.368E-02 0.119E-01 RMM: 6 -0.334093953673E+03 0.86770E-04 -0.58102E-05 3315 0.217E-02 0.496E-02 RMM: 7 -0.334093960527E+03 -0.68539E-05 -0.24665E-05 2598 0.153E-02 5226 T= 7173. E= 0.67558059E+03 F= 0.62217503E+03 E0= 0.65058807E+03 EK= 0.58413E+02 SP= -.52E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333399364951E+03 0.69459E+00 -0.14145E-01 8416 0.254E+01 0.357E-01 RMM: 2 -0.333442584679E+03 -0.43220E-01 -0.16036E-01 5080 0.920E-01 0.207E+00 RMM: 3 -0.333411953987E+03 0.30631E-01 -0.20552E-02 5377 0.339E-01 0.298E-01 RMM: 4 -0.333411402370E+03 0.55162E-03 -0.23372E-03 5209 0.923E-02 0.152E-01 RMM: 5 -0.333411303019E+03 0.99351E-04 -0.25416E-04 3928 0.398E-02 0.127E-01 RMM: 6 -0.333411202932E+03 0.10009E-03 -0.73323E-05 3478 0.246E-02 0.592E-02 RMM: 7 -0.333411211064E+03 -0.81322E-05 -0.32219E-05 2770 0.164E-02 5227 T= 7129. E= 0.67558040E+03 F= 0.62285778E+03 E0= 0.65131478E+03 EK= 0.58052E+02 SP= -.55E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332692538992E+03 0.71866E+00 -0.15843E-01 8664 0.253E+01 0.248E-01 RMM: 2 -0.332717623254E+03 -0.25084E-01 -0.16844E-01 5255 0.919E-01 0.121E+00 RMM: 3 -0.332706935475E+03 0.10688E-01 -0.15550E-02 5511 0.272E-01 0.248E-01 RMM: 4 -0.332706487438E+03 0.44804E-03 -0.12857E-03 4921 0.727E-02 0.111E-01 RMM: 5 -0.332706433003E+03 0.54435E-04 -0.15154E-04 3978 0.314E-02 0.915E-02 RMM: 6 -0.332706398351E+03 0.34652E-04 -0.30917E-05 2801 0.165E-02 0.678E-02 RMM: 7 -0.332706406489E+03 -0.81379E-05 -0.31533E-05 2676 0.173E-02 5228 T= 7078. E= 0.67558028E+03 F= 0.62356258E+03 E0= 0.65206092E+03 EK= 0.57640E+02 SP= -.58E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331939999609E+03 0.76640E+00 -0.17306E-01 9064 0.251E+01 0.239E-01 RMM: 2 -0.331965707525E+03 -0.25708E-01 -0.18627E-01 5232 0.948E-01 0.114E+00 RMM: 3 -0.331955987403E+03 0.97201E-02 -0.16438E-02 5700 0.263E-01 0.221E-01 RMM: 4 -0.331955545163E+03 0.44224E-03 -0.11669E-03 4868 0.718E-02 0.124E-01 RMM: 5 -0.331955469253E+03 0.75909E-04 -0.15376E-04 4063 0.305E-02 0.916E-02 RMM: 6 -0.331955440104E+03 0.29150E-04 -0.29448E-05 2698 0.162E-02 0.718E-02 RMM: 7 -0.331955447579E+03 -0.74753E-05 -0.33211E-05 2705 0.170E-02 5229 T= 7019. E= 0.67558127E+03 F= 0.62431354E+03 E0= 0.65284745E+03 EK= 0.57157E+02 SP= -.60E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331136381626E+03 0.81906E+00 -0.20080E-01 9000 0.249E+01 0.222E-01 RMM: 2 -0.331163050616E+03 -0.26669E-01 -0.20892E-01 5207 0.997E-01 0.103E+00 RMM: 3 -0.331154711996E+03 0.83386E-02 -0.17985E-02 5688 0.271E-01 0.214E-01 RMM: 4 -0.331154281359E+03 0.43064E-03 -0.11837E-03 4945 0.728E-02 0.120E-01 RMM: 5 -0.331154217518E+03 0.63842E-04 -0.15703E-04 4152 0.307E-02 0.921E-02 RMM: 6 -0.331154188408E+03 0.29109E-04 -0.31861E-05 2804 0.167E-02 0.708E-02 RMM: 7 -0.331154205242E+03 -0.16834E-04 -0.33827E-05 2704 0.171E-02 5230 T= 6951. E= 0.67558392E+03 F= 0.62511478E+03 E0= 0.65367746E+03 EK= 0.56602E+02 SP= -.62E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330307296486E+03 0.84689E+00 -0.23217E-01 9072 0.247E+01 0.244E-01 RMM: 2 -0.330337492090E+03 -0.30196E-01 -0.22713E-01 5239 0.101E+00 0.117E+00 RMM: 3 -0.330326700351E+03 0.10792E-01 -0.18957E-02 5710 0.279E-01 0.217E-01 RMM: 4 -0.330326243972E+03 0.45638E-03 -0.12799E-03 5151 0.721E-02 0.119E-01 RMM: 5 -0.330326189888E+03 0.54084E-04 -0.16140E-04 3974 0.320E-02 0.972E-02 RMM: 6 -0.330326151140E+03 0.38747E-04 -0.40577E-05 3028 0.185E-02 0.672E-02 RMM: 7 -0.330326175755E+03 -0.24615E-04 -0.56753E-05 3302 0.205E-02 0.901E-02 RMM: 8 -0.330326139517E+03 0.36238E-04 -0.78899E-05 3782 0.210E-02 0.403E-02 RMM: 9 -0.330326133632E+03 0.58841E-05 -0.17675E-05 2541 0.118E-02 5231 T= 6877. E= 0.67558799E+03 F= 0.62594286E+03 E0= 0.65452609E+03 EK= 0.56001E+02 SP= -.64E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329493348255E+03 0.83279E+00 -0.26588E-01 8960 0.245E+01 0.193E-01 RMM: 2 -0.329519725842E+03 -0.26378E-01 -0.24155E-01 5477 0.102E+00 0.716E-01 RMM: 3 -0.329514449331E+03 0.52765E-02 -0.17708E-02 5856 0.258E-01 0.171E-01 RMM: 4 -0.329514165474E+03 0.28386E-03 -0.96741E-04 4835 0.687E-02 0.157E-01 RMM: 5 -0.329514008416E+03 0.15706E-03 -0.15680E-04 3899 0.325E-02 0.852E-02 RMM: 6 -0.329513974364E+03 0.34052E-04 -0.42280E-05 3049 0.190E-02 0.561E-02 RMM: 7 -0.329513984754E+03 -0.10389E-04 -0.50092E-05 2940 0.193E-02 5232 T= 6803. E= 0.67559259E+03 F= 0.62675500E+03 E0= 0.65534890E+03 EK= 0.55398E+02 SP= -.66E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328750392230E+03 0.76358E+00 -0.27626E-01 8920 0.242E+01 0.211E-01 RMM: 2 -0.328777212046E+03 -0.26820E-01 -0.22708E-01 5696 0.970E-01 0.904E-01 RMM: 3 -0.328769873582E+03 0.73385E-02 -0.14124E-02 5987 0.241E-01 0.200E-01 RMM: 4 -0.328769498562E+03 0.37502E-03 -0.84272E-04 4889 0.616E-02 0.109E-01 RMM: 5 -0.328769454870E+03 0.43692E-04 -0.10899E-04 3964 0.264E-02 0.878E-02 RMM: 6 -0.328769432813E+03 0.22057E-04 -0.27436E-05 2635 0.158E-02 0.692E-02 RMM: 7 -0.328769477640E+03 -0.44828E-04 -0.80517E-05 3687 0.223E-02 0.103E-01 RMM: 8 -0.328769419708E+03 0.57932E-04 -0.67756E-05 3597 0.209E-02 0.333E-02 RMM: 9 -0.328769418018E+03 0.16896E-05 -0.15756E-05 2499 0.116E-02 5233 T= 6735. E= 0.67559705E+03 F= 0.62749957E+03 E0= 0.65609530E+03 EK= 0.54849E+02 SP= -.68E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328120609344E+03 0.64881E+00 -0.29615E-01 8960 0.240E+01 0.199E-01 RMM: 2 -0.328146510216E+03 -0.25901E-01 -0.24157E-01 5761 0.994E-01 0.668E-01 RMM: 3 -0.328141643418E+03 0.48668E-02 -0.14524E-02 5986 0.234E-01 0.161E-01 RMM: 4 -0.328141467834E+03 0.17558E-03 -0.88572E-04 4779 0.685E-02 0.180E-01 RMM: 5 -0.328141259922E+03 0.20791E-03 -0.17769E-04 3904 0.344E-02 0.818E-02 RMM: 6 -0.328141225280E+03 0.34642E-04 -0.41905E-05 3057 0.194E-02 0.460E-02 RMM: 7 -0.328141239514E+03 -0.14234E-04 -0.39901E-05 2697 0.178E-02 5234 T= 6681. E= 0.67559928E+03 F= 0.62812775E+03 E0= 0.65671678E+03 EK= 0.54403E+02 SP= -.70E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327635106770E+03 0.50612E+00 -0.30020E-01 8888 0.239E+01 0.200E-01 RMM: 2 -0.327662568368E+03 -0.27462E-01 -0.23918E-01 5713 0.993E-01 0.835E-01 RMM: 3 -0.327655884229E+03 0.66841E-02 -0.14960E-02 6035 0.238E-01 0.188E-01 RMM: 4 -0.327655502196E+03 0.38203E-03 -0.85394E-04 4828 0.639E-02 0.108E-01 RMM: 5 -0.327655451163E+03 0.51033E-04 -0.11675E-04 3984 0.263E-02 0.834E-02 RMM: 6 -0.327655425803E+03 0.25359E-04 -0.26904E-05 2613 0.158E-02 0.594E-02 RMM: 7 -0.327655456605E+03 -0.30802E-04 -0.75799E-05 3633 0.221E-02 0.885E-02 RMM: 8 -0.327655410321E+03 0.46284E-04 -0.44247E-05 3074 0.189E-02 0.254E-02 RMM: 9 -0.327655410673E+03 -0.35224E-06 -0.12170E-05 2470 0.101E-02 5235 T= 6642. E= 0.67559922E+03 F= 0.62861358E+03 E0= 0.65719040E+03 EK= 0.54088E+02 SP= -.72E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327288494491E+03 0.36692E+00 -0.28589E-01 8848 0.239E+01 0.201E-01 RMM: 2 -0.327313872486E+03 -0.25378E-01 -0.23341E-01 5681 0.974E-01 0.695E-01 RMM: 3 -0.327308668623E+03 0.52039E-02 -0.14294E-02 5989 0.232E-01 0.152E-01 RMM: 4 -0.327308501744E+03 0.16688E-03 -0.88045E-04 4805 0.676E-02 0.175E-01 RMM: 5 -0.327308300703E+03 0.20104E-03 -0.16873E-04 3891 0.339E-02 0.765E-02 RMM: 6 -0.327308267270E+03 0.33432E-04 -0.38415E-05 2990 0.185E-02 0.405E-02 RMM: 7 -0.327308278531E+03 -0.11260E-04 -0.27094E-05 2590 0.153E-02 5236 T= 6619. E= 0.67559689E+03 F= 0.62896071E+03 E0= 0.65752090E+03 EK= 0.53904E+02 SP= -.73E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327044875948E+03 0.26339E+00 -0.28599E-01 8976 0.240E+01 0.186E-01 RMM: 2 -0.327070745888E+03 -0.25870E-01 -0.23858E-01 5514 0.101E+00 0.685E-01 RMM: 3 -0.327066033402E+03 0.47125E-02 -0.17569E-02 6232 0.242E-01 0.159E-01 RMM: 4 -0.327065618147E+03 0.41525E-03 -0.79311E-04 4816 0.640E-02 0.116E-01 RMM: 5 -0.327065535570E+03 0.82577E-04 -0.11333E-04 3817 0.283E-02 0.673E-02 RMM: 6 -0.327065527908E+03 0.76626E-05 -0.29949E-05 2689 0.164E-02 5237 T= 6609. E= 0.67559289E+03 F= 0.62920346E+03 E0= 0.65774552E+03 EK= 0.53817E+02 SP= -.75E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326851660596E+03 0.21387E+00 -0.27760E-01 8944 0.241E+01 0.252E-01 RMM: 2 -0.326885398089E+03 -0.33737E-01 -0.23983E-01 5318 0.103E+00 0.127E+00 RMM: 3 -0.326872609306E+03 0.12789E-01 -0.19022E-02 5581 0.288E-01 0.251E-01 RMM: 4 -0.326872069573E+03 0.53973E-03 -0.14639E-03 4978 0.791E-02 0.112E-01 RMM: 5 -0.326872018833E+03 0.50740E-04 -0.19637E-04 4202 0.335E-02 0.884E-02 RMM: 6 -0.326871979403E+03 0.39429E-04 -0.36474E-05 2873 0.177E-02 0.606E-02 RMM: 7 -0.326872000056E+03 -0.20653E-04 -0.44881E-05 3131 0.199E-02 0.831E-02 RMM: 8 -0.326871963205E+03 0.36851E-04 -0.59118E-05 3264 0.186E-02 0.432E-02 RMM: 9 -0.326871957243E+03 0.59627E-05 -0.21508E-05 2559 0.135E-02 5238 T= 6604. E= 0.67558854E+03 F= 0.62939703E+03 E0= 0.65792198E+03 EK= 0.53775E+02 SP= -.76E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326650957230E+03 0.22101E+00 -0.24524E-01 8856 0.242E+01 0.301E-01 RMM: 2 -0.326686524733E+03 -0.35568E-01 -0.21819E-01 5240 0.982E-01 0.151E+00 RMM: 3 -0.326669226868E+03 0.17298E-01 -0.18543E-02 5526 0.290E-01 0.289E-01 RMM: 4 -0.326668601985E+03 0.62488E-03 -0.18369E-03 5028 0.928E-02 0.138E-01 RMM: 5 -0.326668593423E+03 0.85615E-05 -0.27206E-04 3960 0.377E-02 0.141E-01 RMM: 6 -0.326668462059E+03 0.13136E-03 -0.74802E-05 3498 0.249E-02 0.392E-02 RMM: 7 -0.326668476217E+03 -0.14158E-04 -0.28596E-05 2707 0.154E-02 5239 T= 6597. E= 0.67558480E+03 F= 0.62960051E+03 E0= 0.65811031E+03 EK= 0.53719E+02 SP= -.78E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326386656449E+03 0.28181E+00 -0.22548E-01 8888 0.244E+01 0.197E-01 RMM: 2 -0.326411823283E+03 -0.25167E-01 -0.19557E-01 5585 0.922E-01 0.987E-01 RMM: 3 -0.326403678963E+03 0.81443E-02 -0.14625E-02 5654 0.244E-01 0.167E-01 RMM: 4 -0.326403377828E+03 0.30114E-03 -0.94083E-04 5046 0.621E-02 0.991E-02 RMM: 5 -0.326403325443E+03 0.52385E-04 -0.10592E-04 3929 0.263E-02 0.760E-02 RMM: 6 -0.326403302937E+03 0.22506E-04 -0.27514E-05 2587 0.158E-02 0.596E-02 RMM: 7 -0.326403319407E+03 -0.16470E-04 -0.77738E-05 3680 0.223E-02 5240 T= 6582. E= 0.67558230E+03 F= 0.62986567E+03 E0= 0.65836443E+03 EK= 0.53599E+02 SP= -.79E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326029414927E+03 0.37389E+00 -0.20891E-01 8960 0.245E+01 0.200E-01 RMM: 2 -0.326053478507E+03 -0.24064E-01 -0.19616E-01 5171 0.952E-01 0.923E-01 RMM: 3 -0.326046467022E+03 0.70115E-02 -0.17474E-02 5914 0.255E-01 0.185E-01 RMM: 4 -0.326046019189E+03 0.44783E-03 -0.96830E-04 4902 0.676E-02 0.104E-01 RMM: 5 -0.326045965404E+03 0.53785E-04 -0.13959E-04 3930 0.297E-02 0.803E-02 RMM: 6 -0.326045931060E+03 0.34344E-04 -0.28473E-05 2653 0.161E-02 0.488E-02 RMM: 7 -0.326045934602E+03 -0.35420E-05 -0.24850E-05 2572 0.152E-02 5241 T= 6556. E= 0.67558156E+03 F= 0.63022305E+03 E0= 0.65871625E+03 EK= 0.53385E+02 SP= -.81E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325577207359E+03 0.46872E+00 -0.19989E-01 8744 0.245E+01 0.187E-01 RMM: 2 -0.325603006452E+03 -0.25799E-01 -0.21721E-01 5166 0.102E+00 0.880E-01 RMM: 3 -0.325596628144E+03 0.63783E-02 -0.20801E-02 6000 0.265E-01 0.176E-01 RMM: 4 -0.325596119606E+03 0.50854E-03 -0.95924E-04 4887 0.689E-02 0.103E-01 RMM: 5 -0.325596056388E+03 0.63218E-04 -0.12701E-04 4100 0.284E-02 0.748E-02 RMM: 6 -0.325596035918E+03 0.20471E-04 -0.27578E-05 2588 0.159E-02 0.608E-02 RMM: 7 -0.325596048171E+03 -0.12254E-04 -0.53030E-05 3151 0.194E-02 5242 T= 6518. E= 0.67558340E+03 F= 0.63067294E+03 E0= 0.65916514E+03 EK= 0.53078E+02 SP= -.82E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325070789871E+03 0.52525E+00 -0.18507E-01 8416 0.245E+01 0.208E-01 RMM: 2 -0.325097556380E+03 -0.26767E-01 -0.22446E-01 4974 0.106E+00 0.919E-01 RMM: 3 -0.325090629702E+03 0.69267E-02 -0.23259E-02 6039 0.279E-01 0.202E-01 RMM: 4 -0.325090005647E+03 0.62405E-03 -0.11128E-03 4977 0.749E-02 0.111E-01 RMM: 5 -0.325089939295E+03 0.66352E-04 -0.15393E-04 4128 0.302E-02 0.840E-02 RMM: 6 -0.325089904145E+03 0.35150E-04 -0.29066E-05 2661 0.163E-02 0.537E-02 RMM: 7 -0.325089910625E+03 -0.64803E-05 -0.30083E-05 2660 0.163E-02 5243 T= 6473. E= 0.67558742E+03 F= 0.63117908E+03 E0= 0.65967613E+03 EK= 0.52715E+02 SP= -.83E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324578962574E+03 0.51094E+00 -0.15859E-01 8288 0.244E+01 0.206E-01 RMM: 2 -0.324601455257E+03 -0.22493E-01 -0.17925E-01 4934 0.959E-01 0.932E-01 RMM: 3 -0.324594802019E+03 0.66532E-02 -0.19508E-02 5947 0.264E-01 0.191E-01 RMM: 4 -0.324594307319E+03 0.49470E-03 -0.99491E-04 4887 0.700E-02 0.112E-01 RMM: 5 -0.324594235426E+03 0.71893E-04 -0.13582E-04 4065 0.298E-02 0.785E-02 RMM: 6 -0.324594207243E+03 0.28183E-04 -0.28464E-05 2595 0.159E-02 0.548E-02 RMM: 7 -0.324594214126E+03 -0.68829E-05 -0.34855E-05 2760 0.169E-02 5244 T= 6430. E= 0.67559254E+03 F= 0.63167478E+03 E0= 0.66017990E+03 EK= 0.52364E+02 SP= -.85E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324173369869E+03 0.42084E+00 -0.12644E-01 8128 0.243E+01 0.203E-01 RMM: 2 -0.324190565740E+03 -0.17196E-01 -0.13325E-01 4986 0.832E-01 0.882E-01 RMM: 3 -0.324184776842E+03 0.57889E-02 -0.14539E-02 5950 0.231E-01 0.187E-01 RMM: 4 -0.324184389307E+03 0.38754E-03 -0.81725E-04 4819 0.633E-02 0.103E-01 RMM: 5 -0.324184338143E+03 0.51165E-04 -0.11805E-04 3832 0.275E-02 0.828E-02 RMM: 6 -0.324184299913E+03 0.38230E-04 -0.27504E-05 2639 0.162E-02 0.438E-02 RMM: 7 -0.324184304392E+03 -0.44787E-05 -0.21571E-05 2534 0.142E-02 5245 T= 6398. E= 0.67559631E+03 F= 0.63208468E+03 E0= 0.66060204E+03 EK= 0.52099E+02 SP= -.86E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323901818358E+03 0.28248E+00 -0.11650E-01 7912 0.243E+01 0.191E-01 RMM: 2 -0.323916117342E+03 -0.14299E-01 -0.10515E-01 5027 0.751E-01 0.866E-01 RMM: 3 -0.323910683070E+03 0.54343E-02 -0.11369E-02 5839 0.206E-01 0.174E-01 RMM: 4 -0.323910373380E+03 0.30969E-03 -0.69855E-04 4735 0.590E-02 0.966E-02 RMM: 5 -0.323910327949E+03 0.45431E-04 -0.99702E-05 3716 0.255E-02 0.748E-02 RMM: 6 -0.323910295583E+03 0.32366E-04 -0.25135E-05 2586 0.155E-02 0.358E-02 RMM: 7 -0.323910300343E+03 -0.47604E-05 -0.17685E-05 2517 0.126E-02 5246 T= 6382. E= 0.67559693E+03 F= 0.63235869E+03 E0= 0.66088979E+03 EK= 0.51971E+02 SP= -.88E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323763175729E+03 0.14712E+00 -0.11561E-01 8072 0.243E+01 0.163E-01 RMM: 2 -0.323775380424E+03 -0.12205E-01 -0.10305E-01 5034 0.724E-01 0.678E-01 RMM: 3 -0.323771871586E+03 0.35088E-02 -0.10705E-02 6020 0.192E-01 0.138E-01 RMM: 4 -0.323771632355E+03 0.23923E-03 -0.53065E-04 4639 0.519E-02 0.101E-01 RMM: 5 -0.323771568737E+03 0.63617E-04 -0.78988E-05 3513 0.247E-02 0.652E-02 RMM: 6 -0.323771547947E+03 0.20790E-04 -0.24501E-05 2575 0.153E-02 0.401E-02 RMM: 7 -0.323771551430E+03 -0.34828E-05 -0.21359E-05 2536 0.140E-02 5247 T= 6383. E= 0.67559441E+03 F= 0.63249744E+03 E0= 0.66104461E+03 EK= 0.51978E+02 SP= -.89E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323708480430E+03 0.63068E-01 -0.13058E-01 8648 0.243E+01 0.186E-01 RMM: 2 -0.323724521389E+03 -0.16041E-01 -0.12516E-01 5079 0.785E-01 0.835E-01 RMM: 3 -0.323719075384E+03 0.54460E-02 -0.13071E-02 5928 0.212E-01 0.173E-01 RMM: 4 -0.323718727466E+03 0.34792E-03 -0.70760E-04 4755 0.596E-02 0.105E-01 RMM: 5 -0.323718660956E+03 0.66510E-04 -0.99104E-05 3770 0.257E-02 0.715E-02 RMM: 6 -0.323718640265E+03 0.20691E-04 -0.22428E-05 2560 0.144E-02 0.507E-02 RMM: 7 -0.323718643750E+03 -0.34850E-05 -0.28125E-05 2658 0.150E-02 5248 T= 6395. E= 0.67559019E+03 F= 0.63255035E+03 E0= 0.66111301E+03 EK= 0.52075E+02 SP= -.91E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323666548932E+03 0.52091E-01 -0.14747E-01 9072 0.243E+01 0.193E-01 RMM: 2 -0.323683774333E+03 -0.17225E-01 -0.14145E-01 5192 0.803E-01 0.810E-01 RMM: 3 -0.323678326742E+03 0.54476E-02 -0.13339E-02 5836 0.219E-01 0.177E-01 RMM: 4 -0.323677993628E+03 0.33311E-03 -0.78205E-04 4902 0.591E-02 0.112E-01 RMM: 5 -0.323677916237E+03 0.77391E-04 -0.10056E-04 3736 0.263E-02 0.748E-02 RMM: 6 -0.323677897762E+03 0.18476E-04 -0.24466E-05 2588 0.150E-02 5249 T= 6409. E= 0.67558653E+03 F= 0.63259109E+03 E0= 0.66116778E+03 EK= 0.52188E+02 SP= -.92E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323572348361E+03 0.10557E+00 -0.16914E-01 9080 0.243E+01 0.241E-01 RMM: 2 -0.323596249810E+03 -0.23901E-01 -0.15643E-01 5299 0.819E-01 0.120E+00 RMM: 3 -0.323585251564E+03 0.10998E-01 -0.14379E-02 5517 0.245E-01 0.264E-01 RMM: 4 -0.323584716627E+03 0.53494E-03 -0.11961E-03 5046 0.685E-02 0.117E-01 RMM: 5 -0.323584656258E+03 0.60369E-04 -0.11199E-04 3945 0.261E-02 0.988E-02 RMM: 6 -0.323584643190E+03 0.13068E-04 -0.21690E-05 2561 0.137E-02 5250 T= 6417. E= 0.67558446E+03 F= 0.63268435E+03 E0= 0.66127049E+03 EK= 0.52254E+02 SP= -.94E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323389530577E+03 0.19513E+00 -0.18580E-01 9048 0.242E+01 0.461E-01 RMM: 2 -0.323454366510E+03 -0.64836E-01 -0.17729E-01 5222 0.908E-01 0.271E+00 RMM: 3 -0.323402960047E+03 0.51406E-01 -0.26718E-02 5374 0.391E-01 0.500E-01 RMM: 4 -0.323401067193E+03 0.18929E-02 -0.33561E-03 5306 0.119E-01 0.118E-01 RMM: 5 -0.323401016475E+03 0.50717E-04 -0.40292E-04 4945 0.337E-02 0.112E-01 RMM: 6 -0.323400962643E+03 0.53833E-04 -0.30893E-05 2783 0.171E-02 0.850E-02 RMM: 7 -0.323401007011E+03 -0.44369E-04 -0.57206E-05 3320 0.203E-02 0.119E-01 RMM: 8 -0.323400928919E+03 0.78092E-04 -0.17285E-04 3901 0.270E-02 0.529E-02 RMM: 9 -0.323400918135E+03 0.10785E-04 -0.32728E-05 2827 0.155E-02 5251 T= 6414. E= 0.67558448E+03 F= 0.63286807E+03 E0= 0.66145767E+03 EK= 0.52235E+02 SP= -.96E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323104520109E+03 0.29641E+00 -0.21139E-01 9016 0.242E+01 0.400E-01 RMM: 2 -0.323157744228E+03 -0.53224E-01 -0.19196E-01 5444 0.848E-01 0.229E+00 RMM: 3 -0.323118665811E+03 0.39078E-01 -0.20328E-02 5380 0.333E-01 0.348E-01 RMM: 4 -0.323118021661E+03 0.64415E-03 -0.29289E-03 5247 0.116E-01 0.223E-01 RMM: 5 -0.323117930676E+03 0.90985E-04 -0.44796E-04 4106 0.506E-02 0.194E-01 RMM: 6 -0.323117688545E+03 0.24213E-03 -0.13459E-04 3885 0.322E-02 0.575E-02 RMM: 7 -0.323117713789E+03 -0.25244E-04 -0.59195E-05 3366 0.206E-02 0.822E-02 RMM: 8 -0.323117687015E+03 0.26774E-04 -0.41844E-05 2969 0.196E-02 0.364E-02 RMM: 9 -0.323117683739E+03 0.32765E-05 -0.13632E-05 2502 0.110E-02 5252 T= 6400. E= 0.67558563E+03 F= 0.63315131E+03 E0= 0.66173456E+03 EK= 0.52121E+02 SP= -.97E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322733035862E+03 0.38465E+00 -0.24147E-01 9024 0.241E+01 0.241E-01 RMM: 2 -0.322763393013E+03 -0.30357E-01 -0.19309E-01 5610 0.863E-01 0.135E+00 RMM: 3 -0.322748875298E+03 0.14518E-01 -0.13576E-02 5513 0.245E-01 0.234E-01 RMM: 4 -0.322748444090E+03 0.43121E-03 -0.12391E-03 4871 0.710E-02 0.939E-02 RMM: 5 -0.322748389644E+03 0.54446E-04 -0.14709E-04 4264 0.274E-02 0.804E-02 RMM: 6 -0.322748357132E+03 0.32511E-04 -0.25828E-05 2647 0.152E-02 0.574E-02 RMM: 7 -0.322748368342E+03 -0.11210E-04 -0.40969E-05 3007 0.183E-02 5253 T= 6376. E= 0.67558736E+03 F= 0.63352062E+03 E0= 0.66208828E+03 EK= 0.51924E+02 SP= -.99E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322309690059E+03 0.43867E+00 -0.26147E-01 9056 0.240E+01 0.167E-01 RMM: 2 -0.322331129804E+03 -0.21440E-01 -0.19504E-01 5823 0.867E-01 0.667E-01 RMM: 3 -0.322326374374E+03 0.47554E-02 -0.11521E-02 5831 0.206E-01 0.151E-01 RMM: 4 -0.322326130081E+03 0.24429E-03 -0.68110E-04 4755 0.550E-02 0.105E-01 RMM: 5 -0.322326058851E+03 0.71229E-04 -0.85090E-05 3561 0.243E-02 0.616E-02 RMM: 6 -0.322326048245E+03 0.10606E-04 -0.22663E-05 2557 0.143E-02 5254 T= 6346. E= 0.67559041E+03 F= 0.63394294E+03 E0= 0.66248796E+03 EK= 0.51680E+02 SP= -.10E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321886716251E+03 0.43934E+00 -0.27982E-01 8992 0.239E+01 0.261E-01 RMM: 2 -0.321919352818E+03 -0.32637E-01 -0.21074E-01 5491 0.937E-01 0.139E+00 RMM: 3 -0.321904561250E+03 0.14792E-01 -0.16618E-02 5542 0.269E-01 0.225E-01 RMM: 4 -0.321904112217E+03 0.44903E-03 -0.13740E-03 5076 0.729E-02 0.107E-01 RMM: 5 -0.321904056215E+03 0.56002E-04 -0.15838E-04 4208 0.290E-02 0.896E-02 RMM: 6 -0.321904017411E+03 0.38803E-04 -0.33180E-05 2839 0.169E-02 0.639E-02 RMM: 7 -0.321904051454E+03 -0.34042E-04 -0.74699E-05 3591 0.225E-02 0.101E-01 RMM: 8 -0.321903986191E+03 0.65262E-04 -0.10254E-04 3877 0.225E-02 0.331E-02 RMM: 9 -0.321903982802E+03 0.33896E-05 -0.14737E-05 2527 0.106E-02 5255 T= 6317. E= 0.67559488E+03 F= 0.63436501E+03 E0= 0.66288212E+03 EK= 0.51442E+02 SP= -.10E+02 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321538870623E+03 0.36512E+00 -0.26173E-01 8984 0.238E+01 0.283E-01 RMM: 2 -0.321569834938E+03 -0.30964E-01 -0.19661E-01 5435 0.900E-01 0.139E+00 RMM: 3 -0.321555151597E+03 0.14683E-01 -0.15558E-02 5531 0.262E-01 0.237E-01 RMM: 4 -0.321554818951E+03 0.33265E-03 -0.15266E-03 4758 0.838E-02 0.173E-01 RMM: 5 -0.321554703092E+03 0.11586E-03 -0.24217E-04 3908 0.379E-02 0.124E-01 RMM: 6 -0.321554603065E+03 0.10003E-03 -0.75993E-05 3486 0.252E-02 0.445E-02 RMM: 7 -0.321554619307E+03 -0.16242E-04 -0.33516E-05 2848 0.171E-02 5256 T= 6298. E= 0.67560005E+03 F= 0.63471437E+03 E0= 0.66320162E+03 EK= 0.51284E+02 SP= -.10E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321352301787E+03 0.20230E+00 -0.23166E-01 9000 0.238E+01 0.217E-01 RMM: 2 -0.321376942184E+03 -0.24640E-01 -0.17787E-01 5526 0.871E-01 0.109E+00 RMM: 3 -0.321367493930E+03 0.94483E-02 -0.14208E-02 5667 0.234E-01 0.208E-01 RMM: 4 -0.321367077447E+03 0.41648E-03 -0.10199E-03 4831 0.662E-02 0.984E-02 RMM: 5 -0.321367029905E+03 0.47542E-04 -0.13407E-04 4087 0.268E-02 0.823E-02 RMM: 6 -0.321366994156E+03 0.35749E-04 -0.26868E-05 2674 0.158E-02 0.518E-02 RMM: 7 -0.321367011290E+03 -0.17134E-04 -0.48873E-05 3164 0.191E-02 5257 T= 6299. E= 0.67560547E+03 F= 0.63490198E+03 E0= 0.66336111E+03 EK= 0.51295E+02 SP= -.11E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321426818751E+03 -0.59825E-01 -0.19759E-01 9048 0.238E+01 0.187E-01 RMM: 2 -0.321446690022E+03 -0.19871E-01 -0.16462E-01 5396 0.857E-01 0.837E-01 RMM: 3 -0.321440981051E+03 0.57090E-02 -0.13171E-02 5870 0.219E-01 0.176E-01 RMM: 4 -0.321440646233E+03 0.33482E-03 -0.80000E-04 4778 0.606E-02 0.111E-01 RMM: 5 -0.321440564444E+03 0.81789E-04 -0.10912E-04 3792 0.256E-02 0.723E-02 RMM: 6 -0.321440542683E+03 0.21761E-04 -0.27834E-05 2715 0.160E-02 0.574E-02 RMM: 7 -0.321440546963E+03 -0.42801E-05 -0.46029E-05 3034 0.189E-02 5258 T= 6333. E= 0.67561071E+03 F= 0.63482844E+03 E0= 0.66326134E+03 EK= 0.51575E+02 SP= -.11E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321856105902E+03 -0.41556E+00 -0.17062E-01 9040 0.239E+01 0.200E-01 RMM: 2 -0.321876493273E+03 -0.20387E-01 -0.15835E-01 5159 0.881E-01 0.925E-01 RMM: 3 -0.321869970536E+03 0.65227E-02 -0.14982E-02 5799 0.238E-01 0.210E-01 RMM: 4 -0.321869529259E+03 0.44128E-03 -0.93072E-04 4883 0.643E-02 0.979E-02 RMM: 5 -0.321869477143E+03 0.52116E-04 -0.11925E-04 3939 0.270E-02 0.781E-02 RMM: 6 -0.321869451363E+03 0.25780E-04 -0.27107E-05 2660 0.157E-02 0.605E-02 RMM: 7 -0.321869461339E+03 -0.99758E-05 -0.45583E-05 3029 0.188E-02 5259 T= 6412. E= 0.67561356E+03 F= 0.63439953E+03 E0= 0.66281121E+03 EK= 0.52216E+02 SP= -.11E+02 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322701825175E+03 -0.83237E+00 -0.14335E-01 8376 0.241E+01 0.193E-01 RMM: 2 -0.322720380804E+03 -0.18556E-01 -0.14908E-01 5098 0.883E-01 0.874E-01 RMM: 3 -0.322714872852E+03 0.55080E-02 -0.14908E-02 5853 0.237E-01 0.180E-01 RMM: 4 -0.322714497614E+03 0.37524E-03 -0.84375E-04 4969 0.627E-02 0.101E-01 RMM: 5 -0.322714434792E+03 0.62822E-04 -0.10677E-04 3861 0.267E-02 0.742E-02 RMM: 6 -0.322714413975E+03 0.20817E-04 -0.27187E-05 2637 0.158E-02 0.589E-02 RMM: 7 -0.322714411923E+03 0.20516E-05 -0.34815E-05 2720 0.174E-02 5260 T= 6542. E= 0.67561251E+03 F= 0.63355458E+03 E0= 0.66194810E+03 EK= 0.53275E+02 SP= -.11E+02 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323966138726E+03 -0.12517E+01 -0.12631E-01 8024 0.244E+01 0.182E-01 RMM: 2 -0.323982277690E+03 -0.16139E-01 -0.12480E-01 4971 0.821E-01 0.860E-01 RMM: 3 -0.323977060271E+03 0.52174E-02 -0.13589E-02 5851 0.224E-01 0.181E-01 RMM: 4 -0.323976684335E+03 0.37594E-03 -0.74205E-04 4925 0.596E-02 0.935E-02 RMM: 5 -0.323976631345E+03 0.52989E-04 -0.97966E-05 3719 0.263E-02 0.725E-02 RMM: 6 -0.323976608699E+03 0.22646E-04 -0.25792E-05 2605 0.154E-02 0.556E-02 RMM: 7 -0.323976599338E+03 0.93617E-05 -0.37825E-05 2777 0.180E-02 5261 T= 6723. E= 0.67560639E+03 F= 0.63229239E+03 E0= 0.66067070E+03 EK= 0.54751E+02 SP= -.12E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325574621138E+03 -0.15980E+01 -0.12138E-01 7896 0.248E+01 0.192E-01 RMM: 2 -0.325588016092E+03 -0.13395E-01 -0.10285E-01 5008 0.779E-01 0.835E-01 RMM: 3 -0.325583235870E+03 0.47802E-02 -0.11449E-02 5790 0.209E-01 0.170E-01 RMM: 4 -0.325582942161E+03 0.29371E-03 -0.69950E-04 4800 0.593E-02 0.102E-01 RMM: 5 -0.325582874075E+03 0.68085E-04 -0.10973E-04 3777 0.282E-02 0.697E-02 RMM: 6 -0.325582848894E+03 0.25181E-04 -0.25995E-05 2588 0.152E-02 0.451E-02 RMM: 7 -0.325582843499E+03 0.53952E-05 -0.20735E-05 2522 0.142E-02 5262 T= 6946. E= 0.67559616E+03 F= 0.63068615E+03 E0= 0.65905197E+03 EK= 0.56564E+02 SP= -.12E+02 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327386878705E+03 -0.18040E+01 -0.13315E-01 7792 0.253E+01 0.194E-01 RMM: 2 -0.327401174544E+03 -0.14296E-01 -0.11858E-01 4920 0.858E-01 0.785E-01 RMM: 3 -0.327397042567E+03 0.41320E-02 -0.13638E-02 5885 0.223E-01 0.153E-01 RMM: 4 -0.327396768150E+03 0.27442E-03 -0.70801E-04 4855 0.609E-02 0.129E-01 RMM: 5 -0.327396652267E+03 0.11588E-03 -0.12621E-04 3805 0.318E-02 0.669E-02 RMM: 6 -0.327396629987E+03 0.22280E-04 -0.29785E-05 2631 0.160E-02 0.468E-02 RMM: 7 -0.327396612960E+03 0.17027E-04 -0.28780E-05 2525 0.168E-02 5263 T= 7193. E= 0.67558394E+03 F= 0.62887238E+03 E0= 0.65722684E+03 EK= 0.58572E+02 SP= -.12E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329241771124E+03 -0.18451E+01 -0.13499E-01 7752 0.258E+01 0.222E-01 RMM: 2 -0.329256663208E+03 -0.14892E-01 -0.11607E-01 5126 0.845E-01 0.889E-01 RMM: 3 -0.329251462542E+03 0.52007E-02 -0.12566E-02 5795 0.219E-01 0.195E-01 RMM: 4 -0.329251124688E+03 0.33785E-03 -0.81920E-04 4724 0.655E-02 0.139E-01 RMM: 5 -0.329250978158E+03 0.14653E-03 -0.15533E-04 3876 0.336E-02 0.708E-02 RMM: 6 -0.329250956837E+03 0.21321E-04 -0.31299E-05 2738 0.168E-02 0.546E-02 RMM: 7 -0.329250934189E+03 0.22648E-04 -0.30835E-05 2561 0.168E-02 0.477E-02 RMM: 8 -0.329250919503E+03 0.14685E-04 -0.19936E-05 2511 0.126E-02 5264 T= 7441. E= 0.67557187E+03 F= 0.62701807E+03 E0= 0.65536203E+03 EK= 0.60597E+02 SP= -.12E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330974344640E+03 -0.17234E+01 -0.13580E-01 7880 0.262E+01 0.257E-01 RMM: 2 -0.330993321390E+03 -0.18977E-01 -0.13027E-01 5138 0.877E-01 0.111E+00 RMM: 3 -0.330985022179E+03 0.82992E-02 -0.14047E-02 5666 0.242E-01 0.224E-01 RMM: 4 -0.330984700389E+03 0.32179E-03 -0.11683E-03 4712 0.765E-02 0.166E-01 RMM: 5 -0.330984517561E+03 0.18283E-03 -0.21831E-04 3884 0.385E-02 0.943E-02 RMM: 6 -0.330984463753E+03 0.53808E-04 -0.51765E-05 3235 0.212E-02 0.468E-02 RMM: 7 -0.330984453039E+03 0.10714E-04 -0.23078E-05 2538 0.147E-02 5265 T= 7671. E= 0.67556229E+03 F= 0.62528454E+03 E0= 0.65361914E+03 EK= 0.62468E+02 SP= -.12E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332454532053E+03 -0.14701E+01 -0.14021E-01 7960 0.265E+01 0.239E-01 RMM: 2 -0.332472872928E+03 -0.18341E-01 -0.12858E-01 5194 0.873E-01 0.108E+00 RMM: 3 -0.332465310083E+03 0.75628E-02 -0.13960E-02 5704 0.241E-01 0.226E-01 RMM: 4 -0.332464860899E+03 0.44918E-03 -0.96082E-04 4854 0.660E-02 0.120E-01 RMM: 5 -0.332464734615E+03 0.12628E-03 -0.13584E-04 3892 0.319E-02 0.809E-02 RMM: 6 -0.332464715708E+03 0.18908E-04 -0.29956E-05 2586 0.158E-02 5266 T= 7864. E= 0.67555538E+03 F= 0.62380427E+03 E0= 0.65213228E+03 EK= 0.64040E+02 SP= -.12E+02 SK= 0.63E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333580690387E+03 -0.11160E+01 -0.14964E-01 8024 0.267E+01 0.204E-01 RMM: 2 -0.333600384789E+03 -0.19694E-01 -0.14576E-01 5009 0.890E-01 0.993E-01 RMM: 3 -0.333593392867E+03 0.69919E-02 -0.15790E-02 5770 0.241E-01 0.200E-01 RMM: 4 -0.333592955476E+03 0.43739E-03 -0.87142E-04 4880 0.643E-02 0.101E-01 RMM: 5 -0.333592883526E+03 0.71950E-04 -0.11406E-04 3977 0.279E-02 0.803E-02 RMM: 6 -0.333592862486E+03 0.21041E-04 -0.26438E-05 2573 0.154E-02 0.707E-02 RMM: 7 -0.333592851844E+03 0.10642E-04 -0.69333E-05 3590 0.222E-02 5267 T= 8006. E= 0.67555037E+03 F= 0.62267614E+03 E0= 0.65100476E+03 EK= 0.65199E+02 SP= -.12E+02 SK= 0.29E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.334295833120E+03 -0.70297E+00 -0.14821E-01 8064 0.267E+01 0.270E-01 RMM: 2 -0.334314417361E+03 -0.18584E-01 -0.12758E-01 5040 0.872E-01 0.111E+00 RMM: 3 -0.334306239041E+03 0.81783E-02 -0.14437E-02 5683 0.248E-01 0.258E-01 RMM: 4 -0.334305848926E+03 0.39011E-03 -0.13814E-03 4857 0.872E-02 0.188E-01 RMM: 5 -0.334305606971E+03 0.24196E-03 -0.26321E-04 3896 0.424E-02 0.778E-02 RMM: 6 -0.334305574038E+03 0.32932E-04 -0.44149E-05 3107 0.198E-02 0.409E-02 RMM: 7 -0.334305573406E+03 0.63173E-06 -0.23328E-05 2553 0.143E-02 5268 T= 8089. E= 0.67554802E+03 F= 0.62196342E+03 E0= 0.65029807E+03 EK= 0.65875E+02 SP= -.12E+02 SK= 0.68E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334562353129E+03 -0.25678E+00 -0.15808E-01 7912 0.267E+01 0.176E-01 RMM: 2 -0.334581626525E+03 -0.19273E-01 -0.16045E-01 4826 0.948E-01 0.822E-01 RMM: 3 -0.334576783551E+03 0.48430E-02 -0.18589E-02 6063 0.250E-01 0.149E-01 RMM: 4 -0.334576378506E+03 0.40505E-03 -0.75845E-04 4784 0.656E-02 0.110E-01 RMM: 5 -0.334576285417E+03 0.93089E-04 -0.11485E-04 3818 0.303E-02 0.710E-02 RMM: 6 -0.334576267313E+03 0.18104E-04 -0.32243E-05 2652 0.169E-02 5269 T= 8109. E= 0.67554859E+03 F= 0.62169272E+03 E0= 0.65003995E+03 EK= 0.66036E+02 SP= -.12E+02 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334398416227E+03 0.17787E+00 -0.15149E-01 8072 0.265E+01 0.216E-01 RMM: 2 -0.334421591178E+03 -0.23175E-01 -0.14122E-01 4922 0.864E-01 0.122E+00 RMM: 3 -0.334410491860E+03 0.11099E-01 -0.15531E-02 5541 0.262E-01 0.200E-01 RMM: 4 -0.334410140550E+03 0.35131E-03 -0.10889E-03 5018 0.679E-02 0.850E-02 RMM: 5 -0.334410095080E+03 0.45470E-04 -0.12311E-04 3999 0.301E-02 0.725E-02 RMM: 6 -0.334410069442E+03 0.25638E-04 -0.27713E-05 2589 0.158E-02 0.549E-02 RMM: 7 -0.334410079564E+03 -0.10122E-04 -0.36643E-05 2887 0.180E-02 5270 T= 8066. E= 0.67555118E+03 F= 0.62185891E+03 E0= 0.65022540E+03 EK= 0.65686E+02 SP= -.12E+02 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333833211391E+03 0.57686E+00 -0.14862E-01 7976 0.263E+01 0.287E-01 RMM: 2 -0.333860683663E+03 -0.27472E-01 -0.13321E-01 4891 0.872E-01 0.153E+00 RMM: 3 -0.333843957020E+03 0.16727E-01 -0.16062E-02 5445 0.284E-01 0.255E-01 RMM: 4 -0.333843535798E+03 0.42122E-03 -0.15660E-03 4937 0.852E-02 0.135E-01 RMM: 5 -0.333843510562E+03 0.25236E-04 -0.22225E-04 3910 0.382E-02 0.128E-01 RMM: 6 -0.333843398410E+03 0.11215E-03 -0.67349E-05 3412 0.238E-02 0.330E-02 RMM: 7 -0.333843399899E+03 -0.14883E-05 -0.18777E-05 2527 0.133E-02 5271 T= 7965. E= 0.67555629E+03 F= 0.62242559E+03 E0= 0.65081469E+03 EK= 0.64866E+02 SP= -.12E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332930133539E+03 0.91326E+00 -0.14697E-01 7776 0.260E+01 0.181E-01 RMM: 2 -0.332948369178E+03 -0.18236E-01 -0.13790E-01 5032 0.846E-01 0.900E-01 RMM: 3 -0.332941908547E+03 0.64606E-02 -0.13872E-02 5705 0.239E-01 0.174E-01 RMM: 4 -0.332941611949E+03 0.29660E-03 -0.78382E-04 4785 0.626E-02 0.925E-02 RMM: 5 -0.332941558365E+03 0.53584E-04 -0.10560E-04 3829 0.285E-02 0.697E-02 RMM: 6 -0.332941533599E+03 0.24766E-04 -0.28763E-05 2607 0.162E-02 0.477E-02 RMM: 7 -0.332941540976E+03 -0.73764E-05 -0.33836E-05 2655 0.171E-02 5272 T= 7816. E= 0.67556283E+03 F= 0.62332745E+03 E0= 0.65173774E+03 EK= 0.63648E+02 SP= -.12E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331779396638E+03 0.11621E+01 -0.14139E-01 7944 0.257E+01 0.187E-01 RMM: 2 -0.331795780593E+03 -0.16384E-01 -0.13031E-01 4918 0.848E-01 0.830E-01 RMM: 3 -0.331790544475E+03 0.52361E-02 -0.14188E-02 5941 0.238E-01 0.170E-01 RMM: 4 -0.331790234475E+03 0.31000E-03 -0.73490E-04 4740 0.631E-02 0.101E-01 RMM: 5 -0.331790187670E+03 0.46805E-04 -0.10323E-04 3687 0.294E-02 0.716E-02 RMM: 6 -0.331790157920E+03 0.29750E-04 -0.26881E-05 2591 0.161E-02 0.350E-02 RMM: 7 -0.331790160765E+03 -0.28451E-05 -0.16377E-05 2499 0.129E-02 5273 T= 7629. E= 0.67557009E+03 F= 0.62447883E+03 E0= 0.65290738E+03 EK= 0.62128E+02 SP= -.11E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330476347649E+03 0.13138E+01 -0.14597E-01 8032 0.253E+01 0.156E-01 RMM: 2 -0.330492806230E+03 -0.16459E-01 -0.14535E-01 4932 0.884E-01 0.659E-01 RMM: 3 -0.330489112592E+03 0.36936E-02 -0.15110E-02 5963 0.236E-01 0.137E-01 RMM: 4 -0.330488873663E+03 0.23893E-03 -0.68594E-04 4746 0.632E-02 0.119E-01 RMM: 5 -0.330488777133E+03 0.96530E-04 -0.10105E-04 3650 0.305E-02 0.569E-02 RMM: 6 -0.330488763506E+03 0.13627E-04 -0.25680E-05 2556 0.150E-02 5274 T= 7419. E= 0.67557900E+03 F= 0.62578023E+03 E0= 0.65422050E+03 EK= 0.60420E+02 SP= -.11E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329138908064E+03 0.13499E+01 -0.13346E-01 7976 0.250E+01 0.210E-01 RMM: 2 -0.329157935821E+03 -0.19028E-01 -0.11865E-01 5011 0.803E-01 0.110E+00 RMM: 3 -0.329148915346E+03 0.90205E-02 -0.12569E-02 5551 0.242E-01 0.226E-01 RMM: 4 -0.329148519626E+03 0.39572E-03 -0.90693E-04 4773 0.655E-02 0.847E-02 RMM: 5 -0.329148480290E+03 0.39336E-04 -0.10765E-04 3969 0.275E-02 0.766E-02 RMM: 6 -0.329148456827E+03 0.23463E-04 -0.26211E-05 2588 0.154E-02 0.617E-02 RMM: 7 -0.329148477541E+03 -0.20714E-04 -0.52365E-05 3236 0.206E-02 0.918E-02 RMM: 8 -0.329148419122E+03 0.58420E-04 -0.10496E-04 3887 0.215E-02 0.285E-02 RMM: 9 -0.329148416706E+03 0.24155E-05 -0.13432E-05 2512 0.105E-02 5275 T= 7201. E= 0.67558795E+03 F= 0.62712057E+03 E0= 0.65556590E+03 EK= 0.58644E+02 SP= -.11E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327874406639E+03 0.12740E+01 -0.12196E-01 7688 0.246E+01 0.254E-01 RMM: 2 -0.327894194036E+03 -0.19787E-01 -0.11230E-01 4951 0.796E-01 0.123E+00 RMM: 3 -0.327883294717E+03 0.10899E-01 -0.12375E-02 5546 0.242E-01 0.171E-01 RMM: 4 -0.327883325750E+03 -0.31033E-04 -0.12021E-03 4807 0.803E-02 0.213E-01 RMM: 5 -0.327883064751E+03 0.26100E-03 -0.21914E-04 3890 0.384E-02 0.105E-01 RMM: 6 -0.327882990932E+03 0.73819E-04 -0.50913E-05 3207 0.215E-02 0.303E-02 RMM: 7 -0.327882994595E+03 -0.36637E-05 -0.18561E-05 2514 0.133E-02 5276 T= 6991. E= 0.67559676E+03 F= 0.62838599E+03 E0= 0.65683119E+03 EK= 0.56928E+02 SP= -.10E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326791553389E+03 0.10914E+01 -0.11326E-01 7464 0.243E+01 0.187E-01 RMM: 2 -0.326805267876E+03 -0.13714E-01 -0.10557E-01 5072 0.777E-01 0.810E-01 RMM: 3 -0.326800555157E+03 0.47127E-02 -0.11084E-02 5766 0.214E-01 0.181E-01 RMM: 4 -0.326800265095E+03 0.29006E-03 -0.61654E-04 4773 0.554E-02 0.846E-02 RMM: 5 -0.326800212525E+03 0.52569E-04 -0.79972E-05 3728 0.236E-02 0.680E-02 RMM: 6 -0.326800195599E+03 0.16926E-04 -0.21892E-05 2545 0.143E-02 5277 T= 6801. E= 0.67560470E+03 F= 0.62946879E+03 E0= 0.65791037E+03 EK= 0.55386E+02 SP= -.97E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325981922253E+03 0.81829E+00 -0.11089E-01 7392 0.241E+01 0.263E-01 RMM: 2 -0.326003843113E+03 -0.21921E-01 -0.10290E-01 4910 0.790E-01 0.139E+00 RMM: 3 -0.325990409018E+03 0.13434E-01 -0.13497E-02 5413 0.266E-01 0.213E-01 RMM: 4 -0.325990107071E+03 0.30195E-03 -0.11471E-03 4818 0.672E-02 0.937E-02 RMM: 5 -0.325990050543E+03 0.56528E-04 -0.11382E-04 3974 0.288E-02 0.792E-02 RMM: 6 -0.325990023161E+03 0.27382E-04 -0.27289E-05 2586 0.156E-02 0.576E-02 RMM: 7 -0.325990038640E+03 -0.15479E-04 -0.40691E-05 2994 0.184E-02 5278 T= 6645. E= 0.67561034E+03 F= 0.63027895E+03 E0= 0.65871496E+03 EK= 0.54114E+02 SP= -.92E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325506980865E+03 0.48304E+00 -0.10876E-01 7400 0.240E+01 0.291E-01 RMM: 2 -0.325527010267E+03 -0.20029E-01 -0.10493E-01 4874 0.821E-01 0.131E+00 RMM: 3 -0.325515483406E+03 0.11527E-01 -0.13603E-02 5453 0.264E-01 0.312E-01 RMM: 4 -0.325514829175E+03 0.65423E-03 -0.14585E-03 4856 0.850E-02 0.124E-01 RMM: 5 -0.325514844564E+03 -0.15389E-04 -0.22753E-04 3902 0.377E-02 0.137E-01 RMM: 6 -0.325514715424E+03 0.12914E-03 -0.62190E-05 3376 0.233E-02 0.292E-02 RMM: 7 -0.325514716619E+03 -0.11958E-05 -0.17628E-05 2516 0.126E-02 5279 T= 6530. E= 0.67561333E+03 F= 0.63075427E+03 E0= 0.65918566E+03 EK= 0.53178E+02 SP= -.87E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325388349899E+03 0.12637E+00 -0.10776E-01 7408 0.239E+01 0.255E-01 RMM: 2 -0.325408228743E+03 -0.19879E-01 -0.10720E-01 4878 0.825E-01 0.127E+00 RMM: 3 -0.325397217276E+03 0.11011E-01 -0.13625E-02 5421 0.258E-01 0.190E-01 RMM: 4 -0.325396977225E+03 0.24005E-03 -0.11055E-03 4788 0.683E-02 0.102E-01 RMM: 5 -0.325396911721E+03 0.65504E-04 -0.13868E-04 3940 0.302E-02 0.800E-02 RMM: 6 -0.325396870455E+03 0.41266E-04 -0.33192E-05 2802 0.170E-02 0.425E-02 RMM: 7 -0.325396871140E+03 -0.68476E-06 -0.22784E-05 2539 0.144E-02 5280 T= 6459. E= 0.67561262E+03 F= 0.63087212E+03 E0= 0.65930058E+03 EK= 0.52601E+02 SP= -.83E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325597222872E+03 -0.20035E+00 -0.11200E-01 7576 0.239E+01 0.195E-01 RMM: 2 -0.325612471300E+03 -0.15248E-01 -0.11546E-01 4752 0.848E-01 0.864E-01 RMM: 3 -0.325607372709E+03 0.50986E-02 -0.13921E-02 5781 0.231E-01 0.197E-01 RMM: 4 -0.325606958912E+03 0.41380E-03 -0.76577E-04 4849 0.616E-02 0.769E-02 RMM: 5 -0.325606939806E+03 0.19105E-04 -0.11458E-04 3789 0.297E-02 5281 T= 6429. E= 0.67560807E+03 F= 0.63066205E+03 E0= 0.65909044E+03 EK= 0.52354E+02 SP= -.78E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326053176615E+03 -0.44622E+00 -0.10600E-01 7640 0.240E+01 0.136E-01 RMM: 2 -0.326064231582E+03 -0.11055E-01 -0.98711E-02 4919 0.752E-01 0.561E-01 RMM: 3 -0.326062084942E+03 0.21466E-02 -0.10882E-02 5974 0.187E-01 0.123E-01 RMM: 4 -0.326061853988E+03 0.23095E-03 -0.47715E-04 4432 0.541E-02 0.100E-01 RMM: 5 -0.326061784709E+03 0.69279E-04 -0.69964E-05 3402 0.255E-02 0.621E-02 RMM: 6 -0.326061773230E+03 0.11479E-04 -0.24311E-05 2533 0.142E-02 5282 T= 6429. E= 0.67560043E+03 F= 0.63020722E+03 E0= 0.65863862E+03 EK= 0.52351E+02 SP= -.74E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326630461097E+03 -0.56868E+00 -0.11095E-01 7608 0.242E+01 0.290E-01 RMM: 2 -0.326657013483E+03 -0.26552E-01 -0.10401E-01 4844 0.802E-01 0.163E+00 RMM: 3 -0.326638635736E+03 0.18378E-01 -0.13995E-02 5396 0.275E-01 0.263E-01 RMM: 4 -0.326638154378E+03 0.48136E-03 -0.13792E-03 4764 0.746E-02 0.846E-02 RMM: 5 -0.326638165301E+03 -0.10923E-04 -0.17805E-04 3888 0.346E-02 5283 T= 6443. E= 0.67559189E+03 F= 0.62963082E+03 E0= 0.65806984E+03 EK= 0.52472E+02 SP= -.69E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327188341764E+03 -0.55019E+00 -0.10970E-01 7224 0.243E+01 0.231E-01 RMM: 2 -0.327208038712E+03 -0.19697E-01 -0.92524E-02 5085 0.735E-01 0.130E+00 RMM: 3 -0.327196031726E+03 0.12007E-01 -0.11002E-02 5442 0.232E-01 0.203E-01 RMM: 4 -0.327195791304E+03 0.24042E-03 -0.10170E-03 4672 0.659E-02 0.126E-01 RMM: 5 -0.327195693145E+03 0.98158E-04 -0.14645E-04 3873 0.321E-02 0.864E-02 RMM: 6 -0.327195653014E+03 0.40132E-04 -0.38993E-05 2985 0.183E-02 0.545E-02 RMM: 7 -0.327195656169E+03 -0.31559E-05 -0.32210E-05 2622 0.163E-02 5284 T= 6456. E= 0.67558447E+03 F= 0.62907333E+03 E0= 0.65752327E+03 EK= 0.52576E+02 SP= -.65E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327596830184E+03 -0.40118E+00 -0.11125E-01 7584 0.243E+01 0.231E-01 RMM: 2 -0.327612166710E+03 -0.15337E-01 -0.91965E-02 4856 0.747E-01 0.107E+00 RMM: 3 -0.327604334193E+03 0.78325E-02 -0.11164E-02 5555 0.222E-01 0.193E-01 RMM: 4 -0.327604099350E+03 0.23484E-03 -0.93335E-04 4664 0.669E-02 0.127E-01 RMM: 5 -0.327604033185E+03 0.66165E-04 -0.14359E-04 3799 0.304E-02 0.878E-02 RMM: 6 -0.327603983971E+03 0.49215E-04 -0.36163E-05 2990 0.182E-02 0.249E-02 RMM: 7 -0.327603986510E+03 -0.25393E-05 -0.12928E-05 2489 0.115E-02 5285 T= 6451. E= 0.67557850E+03 F= 0.62866500E+03 E0= 0.65713139E+03 EK= 0.52534E+02 SP= -.60E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327756482616E+03 -0.15250E+00 -0.11102E-01 7648 0.242E+01 0.183E-01 RMM: 2 -0.327768287852E+03 -0.11805E-01 -0.89313E-02 4949 0.730E-01 0.793E-01 RMM: 3 -0.327764105829E+03 0.41820E-02 -0.10427E-02 5864 0.194E-01 0.151E-01 RMM: 4 -0.327763878007E+03 0.22782E-03 -0.58749E-04 4616 0.582E-02 0.125E-01 RMM: 5 -0.327763760712E+03 0.11729E-03 -0.10664E-04 3740 0.283E-02 0.620E-02 RMM: 6 -0.327763741799E+03 0.18914E-04 -0.25630E-05 2587 0.151E-02 5286 T= 6416. E= 0.67557555E+03 F= 0.62850525E+03 E0= 0.65699224E+03 EK= 0.52249E+02 SP= -.56E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327610161463E+03 0.15360E+00 -0.11795E-01 7376 0.241E+01 0.180E-01 RMM: 2 -0.327624695032E+03 -0.14534E-01 -0.10293E-01 4883 0.756E-01 0.896E-01 RMM: 3 -0.327619100425E+03 0.55946E-02 -0.12275E-02 5737 0.209E-01 0.152E-01 RMM: 4 -0.327618828500E+03 0.27193E-03 -0.66406E-04 4779 0.560E-02 0.855E-02 RMM: 5 -0.327618783551E+03 0.44949E-04 -0.87730E-05 3779 0.248E-02 0.680E-02 RMM: 6 -0.327618763346E+03 0.20205E-04 -0.25485E-05 2564 0.154E-02 0.495E-02 RMM: 7 -0.327618779384E+03 -0.16038E-04 -0.37225E-05 2886 0.180E-02 5287 T= 6345. E= 0.67557535E+03 F= 0.62865021E+03 E0= 0.65716200E+03 EK= 0.51670E+02 SP= -.51E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327153889413E+03 0.46487E+00 -0.11655E-01 7392 0.238E+01 0.246E-01 RMM: 2 -0.327168369103E+03 -0.14480E-01 -0.85028E-02 4886 0.723E-01 0.108E+00 RMM: 3 -0.327160524701E+03 0.78444E-02 -0.10628E-02 5532 0.222E-01 0.234E-01 RMM: 4 -0.327160192057E+03 0.33264E-03 -0.10888E-03 4699 0.749E-02 0.138E-01 RMM: 5 -0.327160137661E+03 0.54397E-04 -0.17639E-04 3856 0.339E-02 0.109E-01 RMM: 6 -0.327160059006E+03 0.78655E-04 -0.44594E-05 3143 0.206E-02 0.293E-02 RMM: 7 -0.327160059313E+03 -0.30678E-06 -0.15830E-05 2502 0.121E-02 5288 T= 6237. E= 0.67557840E+03 F= 0.62910893E+03 E0= 0.65764725E+03 EK= 0.50791E+02 SP= -.47E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326413308388E+03 0.74675E+00 -0.12683E-01 7592 0.235E+01 0.185E-01 RMM: 2 -0.326428760206E+03 -0.15452E-01 -0.11127E-01 4982 0.772E-01 0.914E-01 RMM: 3 -0.326422752960E+03 0.60072E-02 -0.12286E-02 5708 0.209E-01 0.147E-01 RMM: 4 -0.326422492039E+03 0.26092E-03 -0.68889E-04 4833 0.576E-02 0.935E-02 RMM: 5 -0.326422441743E+03 0.50297E-04 -0.92518E-05 3750 0.245E-02 0.723E-02 RMM: 6 -0.326422411224E+03 0.30519E-04 -0.27549E-05 2633 0.164E-02 0.378E-02 RMM: 7 -0.326422416141E+03 -0.49169E-05 -0.19109E-05 2516 0.129E-02 5289 T= 6097. E= 0.67558419E+03 F= 0.62984657E+03 E0= 0.65840983E+03 EK= 0.49654E+02 SP= -.43E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325469468908E+03 0.95294E+00 -0.10788E-01 7736 0.230E+01 0.161E-01 RMM: 2 -0.325479354531E+03 -0.98856E-02 -0.78409E-02 4841 0.673E-01 0.676E-01 RMM: 3 -0.325476094307E+03 0.32602E-02 -0.92496E-03 5713 0.190E-01 0.145E-01 RMM: 4 -0.325475898504E+03 0.19580E-03 -0.50542E-04 4656 0.509E-02 0.906E-02 RMM: 5 -0.325475862173E+03 0.36331E-04 -0.77269E-05 3488 0.257E-02 0.645E-02 RMM: 6 -0.325475837352E+03 0.24822E-04 -0.24625E-05 2590 0.156E-02 0.305E-02 RMM: 7 -0.325475841833E+03 -0.44812E-05 -0.15690E-05 2489 0.127E-02 5290 T= 5935. E= 0.67559130E+03 F= 0.63079315E+03 E0= 0.65937775E+03 EK= 0.48334E+02 SP= -.39E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324406757474E+03 0.10691E+01 -0.10735E-01 7560 0.226E+01 0.157E-01 RMM: 2 -0.324416555418E+03 -0.97979E-02 -0.80464E-02 4861 0.679E-01 0.662E-01 RMM: 3 -0.324413559128E+03 0.29963E-02 -0.94165E-03 5864 0.185E-01 0.148E-01 RMM: 4 -0.324413346268E+03 0.21286E-03 -0.50739E-04 4572 0.538E-02 0.103E-01 RMM: 5 -0.324413283994E+03 0.62274E-04 -0.84361E-05 3516 0.257E-02 0.697E-02 RMM: 6 -0.324413254910E+03 0.29084E-04 -0.26690E-05 2637 0.162E-02 0.310E-02 RMM: 7 -0.324413255573E+03 -0.66240E-06 -0.15748E-05 2489 0.123E-02 5291 T= 5763. E= 0.67559928E+03 F= 0.63185573E+03 E0= 0.66045518E+03 EK= 0.46929E+02 SP= -.35E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323333382353E+03 0.10799E+01 -0.10640E-01 7744 0.222E+01 0.168E-01 RMM: 2 -0.323343933382E+03 -0.10551E-01 -0.74576E-02 4933 0.652E-01 0.783E-01 RMM: 3 -0.323339582931E+03 0.43505E-02 -0.84857E-03 5708 0.183E-01 0.159E-01 RMM: 4 -0.323339362356E+03 0.22057E-03 -0.52409E-04 4580 0.523E-02 0.899E-02 RMM: 5 -0.323339323546E+03 0.38810E-04 -0.81607E-05 3540 0.253E-02 0.653E-02 RMM: 6 -0.323339298480E+03 0.25066E-04 -0.24420E-05 2607 0.155E-02 0.338E-02 RMM: 7 -0.323339302627E+03 -0.41476E-05 -0.17691E-05 2501 0.129E-02 5292 T= 5593. E= 0.67560699E+03 F= 0.63292969E+03 E0= 0.66153723E+03 EK= 0.45546E+02 SP= -.31E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322350578842E+03 0.98872E+00 -0.10454E-01 7664 0.218E+01 0.173E-01 RMM: 2 -0.322362324076E+03 -0.11745E-01 -0.90756E-02 4853 0.718E-01 0.765E-01 RMM: 3 -0.322358256790E+03 0.40673E-02 -0.10550E-02 5820 0.195E-01 0.162E-01 RMM: 4 -0.322357980028E+03 0.27676E-03 -0.60789E-04 4649 0.574E-02 0.999E-02 RMM: 5 -0.322357932363E+03 0.47665E-04 -0.10064E-04 3636 0.271E-02 0.719E-02 RMM: 6 -0.322357900234E+03 0.32129E-04 -0.27988E-05 2749 0.166E-02 0.291E-02 RMM: 7 -0.322357900956E+03 -0.72211E-06 -0.13165E-05 2482 0.115E-02 5293 T= 5439. E= 0.67561426E+03 F= 0.63391109E+03 E0= 0.66251860E+03 EK= 0.44295E+02 SP= -.28E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321558821937E+03 0.79908E+00 -0.93718E-02 7672 0.215E+01 0.165E-01 RMM: 2 -0.321568520940E+03 -0.96990E-02 -0.69912E-02 5115 0.631E-01 0.757E-01 RMM: 3 -0.321564606198E+03 0.39147E-02 -0.74880E-03 5778 0.167E-01 0.146E-01 RMM: 4 -0.321564412754E+03 0.19344E-03 -0.47152E-04 4467 0.495E-02 0.101E-01 RMM: 5 -0.321564353839E+03 0.58914E-04 -0.79759E-05 3536 0.248E-02 0.628E-02 RMM: 6 -0.321564330045E+03 0.23795E-04 -0.22502E-05 2580 0.147E-02 0.332E-02 RMM: 7 -0.321564330048E+03 -0.32378E-08 -0.18495E-05 2501 0.129E-02 5294 T= 5314. E= 0.67562031E+03 F= 0.63470466E+03 E0= 0.66330544E+03 EK= 0.43270E+02 SP= -.25E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321031139604E+03 0.53319E+00 -0.93487E-02 7640 0.213E+01 0.172E-01 RMM: 2 -0.321041436296E+03 -0.10297E-01 -0.79606E-02 5036 0.671E-01 0.738E-01 RMM: 3 -0.321037769247E+03 0.36670E-02 -0.88706E-03 5799 0.180E-01 0.145E-01 RMM: 4 -0.321037553051E+03 0.21620E-03 -0.53525E-04 4585 0.518E-02 0.100E-01 RMM: 5 -0.321037504488E+03 0.48563E-04 -0.88983E-05 3593 0.255E-02 0.706E-02 RMM: 6 -0.321037473245E+03 0.31244E-04 -0.26068E-05 2672 0.160E-02 0.291E-02 RMM: 7 -0.321037473497E+03 -0.25222E-06 -0.13104E-05 2485 0.113E-02 5295 T= 5225. E= 0.67562431E+03 F= 0.63523152E+03 E0= 0.66381901E+03 EK= 0.42552E+02 SP= -.23E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320827964426E+03 0.20951E+00 -0.89141E-02 7696 0.212E+01 0.164E-01 RMM: 2 -0.320837317910E+03 -0.93535E-02 -0.68243E-02 5196 0.616E-01 0.744E-01 RMM: 3 -0.320833578064E+03 0.37398E-02 -0.69886E-03 5784 0.159E-01 0.140E-01 RMM: 4 -0.320833401650E+03 0.17641E-03 -0.45991E-04 4389 0.488E-02 0.100E-01 RMM: 5 -0.320833342256E+03 0.59394E-04 -0.76762E-05 3508 0.235E-02 0.640E-02 RMM: 6 -0.320833317920E+03 0.24336E-04 -0.21367E-05 2568 0.143E-02 0.309E-02 RMM: 7 -0.320833317703E+03 0.21705E-06 -0.15369E-05 2486 0.117E-02 5296 T= 5182. E= 0.67562694E+03 F= 0.63543567E+03 E0= 0.66400559E+03 EK= 0.42197E+02 SP= -.21E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320978676220E+03 -0.14536E+00 -0.93086E-02 7632 0.212E+01 0.164E-01 RMM: 2 -0.320988318085E+03 -0.96419E-02 -0.77052E-02 5018 0.660E-01 0.687E-01 RMM: 3 -0.320985124047E+03 0.31940E-02 -0.86210E-03 5844 0.176E-01 0.123E-01 RMM: 4 -0.320984949693E+03 0.17435E-03 -0.48731E-04 4579 0.486E-02 0.982E-02 RMM: 5 -0.320984896654E+03 0.53039E-04 -0.74890E-05 3500 0.235E-02 0.659E-02 RMM: 6 -0.320984870484E+03 0.26170E-04 -0.23906E-05 2575 0.151E-02 0.290E-02 RMM: 7 -0.320984870496E+03 -0.11823E-07 -0.13750E-05 2481 0.115E-02 5297 T= 5187. E= 0.67562764E+03 F= 0.63528412E+03 E0= 0.66383356E+03 EK= 0.42236E+02 SP= -.19E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321494351828E+03 -0.50948E+00 -0.87443E-02 7688 0.213E+01 0.160E-01 RMM: 2 -0.321503234826E+03 -0.88830E-02 -0.64433E-02 5170 0.601E-01 0.731E-01 RMM: 3 -0.321499667753E+03 0.35671E-02 -0.67271E-03 5822 0.157E-01 0.137E-01 RMM: 4 -0.321499496608E+03 0.17115E-03 -0.43672E-04 4317 0.477E-02 0.918E-02 RMM: 5 -0.321499446403E+03 0.50205E-04 -0.69652E-05 3445 0.223E-02 0.644E-02 RMM: 6 -0.321499422192E+03 0.24211E-04 -0.20836E-05 2544 0.142E-02 0.301E-02 RMM: 7 -0.321499421829E+03 0.36254E-06 -0.13985E-05 2478 0.113E-02 5298 T= 5241. E= 0.67562593E+03 F= 0.63476957E+03 E0= 0.66329851E+03 EK= 0.42676E+02 SP= -.18E+01 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322350545698E+03 -0.85112E+00 -0.90993E-02 7696 0.216E+01 0.151E-01 RMM: 2 -0.322358891951E+03 -0.83463E-02 -0.69933E-02 5093 0.626E-01 0.603E-01 RMM: 3 -0.322356470014E+03 0.24219E-02 -0.76904E-03 5873 0.163E-01 0.107E-01 RMM: 4 -0.322356337576E+03 0.13244E-03 -0.41041E-04 4398 0.453E-02 0.101E-01 RMM: 5 -0.322356270666E+03 0.66910E-04 -0.61524E-05 3377 0.218E-02 0.589E-02 RMM: 6 -0.322356251372E+03 0.19294E-04 -0.21028E-05 2538 0.140E-02 5299 T= 5341. E= 0.67562269E+03 F= 0.63391274E+03 E0= 0.66242313E+03 EK= 0.43495E+02 SP= -.18E+01 SK= 0.87E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323503895493E+03 -0.11476E+01 -0.95617E-02 7704 0.219E+01 0.157E-01 RMM: 2 -0.323513594380E+03 -0.96989E-02 -0.74951E-02 5010 0.644E-01 0.696E-01 RMM: 3 -0.323510321403E+03 0.32730E-02 -0.84905E-03 5789 0.177E-01 0.127E-01 RMM: 4 -0.323510129375E+03 0.19203E-03 -0.46803E-04 4619 0.459E-02 0.797E-02 RMM: 5 -0.323510085105E+03 0.44270E-04 -0.56674E-05 3280 0.213E-02 0.557E-02 RMM: 6 -0.323510071234E+03 0.13871E-04 -0.19560E-05 2512 0.134E-02 5300 T= 5482. E= 0.67561807E+03 F= 0.63275892E+03 E0= 0.66125511E+03 EK= 0.44645E+02 SP= -.18E+01 SK= 0.87E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324887812999E+03 -0.13777E+01 -0.96175E-02 7576 0.223E+01 0.230E-01 RMM: 2 -0.324903781234E+03 -0.15968E-01 -0.79457E-02 4961 0.684E-01 0.118E+00 RMM: 3 -0.324894483588E+03 0.92976E-02 -0.10134E-02 5470 0.220E-01 0.250E-01 RMM: 4 -0.324894007485E+03 0.47610E-03 -0.96202E-04 4705 0.657E-02 0.777E-02 RMM: 5 -0.324893985154E+03 0.22331E-04 -0.12912E-04 3863 0.283E-02 0.737E-02 RMM: 6 -0.324893950480E+03 0.34674E-04 -0.25922E-05 2623 0.156E-02 0.381E-02 RMM: 7 -0.324893951107E+03 -0.62724E-06 -0.15012E-05 2492 0.123E-02 5301 T= 5656. E= 0.67561178E+03 F= 0.63137504E+03 E0= 0.65986309E+03 EK= 0.46058E+02 SP= -.18E+01 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326415616977E+03 -0.15217E+01 -0.10005E-01 7472 0.227E+01 0.204E-01 RMM: 2 -0.326429927834E+03 -0.14311E-01 -0.90713E-02 4874 0.719E-01 0.973E-01 RMM: 3 -0.326423296983E+03 0.66309E-02 -0.10892E-02 5585 0.214E-01 0.195E-01 RMM: 4 -0.326423018475E+03 0.27851E-03 -0.89263E-04 4684 0.657E-02 0.113E-01 RMM: 5 -0.326422978871E+03 0.39604E-04 -0.14363E-04 3810 0.307E-02 0.978E-02 RMM: 6 -0.326422916106E+03 0.62765E-04 -0.40400E-05 3053 0.195E-02 0.261E-02 RMM: 7 -0.326422917122E+03 -0.10160E-05 -0.13722E-05 2489 0.115E-02 5302 T= 5851. E= 0.67560446E+03 F= 0.62984607E+03 E0= 0.65833239E+03 EK= 0.47644E+02 SP= -.19E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327992164435E+03 -0.15692E+01 -0.10264E-01 7712 0.232E+01 0.161E-01 RMM: 2 -0.328003668991E+03 -0.11505E-01 -0.83848E-02 4888 0.684E-01 0.781E-01 RMM: 3 -0.327999457783E+03 0.42112E-02 -0.95564E-03 5793 0.189E-01 0.151E-01 RMM: 4 -0.327999222616E+03 0.23517E-03 -0.54426E-04 4618 0.536E-02 0.980E-02 RMM: 5 -0.327999159647E+03 0.62969E-04 -0.90402E-05 3598 0.271E-02 0.588E-02 RMM: 6 -0.327999139458E+03 0.20188E-04 -0.23827E-05 2556 0.147E-02 0.376E-02 RMM: 7 -0.327999133925E+03 0.55332E-05 -0.18018E-05 2488 0.133E-02 5303 T= 6054. E= 0.67559633E+03 F= 0.62826986E+03 E0= 0.65676016E+03 EK= 0.49301E+02 SP= -.20E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329510374967E+03 -0.15112E+01 -0.10660E-01 7792 0.236E+01 0.134E-01 RMM: 2 -0.329520191547E+03 -0.98166E-02 -0.87002E-02 4819 0.702E-01 0.552E-01 RMM: 3 -0.329518048956E+03 0.21426E-02 -0.10206E-02 6128 0.183E-01 0.107E-01 RMM: 4 -0.329517842472E+03 0.20648E-03 -0.41211E-04 4546 0.491E-02 0.990E-02 RMM: 5 -0.329517775857E+03 0.66615E-04 -0.68768E-05 3405 0.262E-02 0.466E-02 RMM: 6 -0.329517767489E+03 0.83680E-05 -0.20087E-05 2514 0.129E-02 5304 T= 6253. E= 0.67558815E+03 F= 0.62675122E+03 E0= 0.65525040E+03 EK= 0.50920E+02 SP= -.21E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330866229379E+03 -0.13485E+01 -0.11492E-01 7640 0.240E+01 0.149E-01 RMM: 2 -0.330878837205E+03 -0.12608E-01 -0.10242E-01 4810 0.754E-01 0.698E-01 RMM: 3 -0.330875368334E+03 0.34689E-02 -0.11987E-02 5935 0.200E-01 0.150E-01 RMM: 4 -0.330875060358E+03 0.30798E-03 -0.55327E-04 4605 0.556E-02 0.895E-02 RMM: 5 -0.330875004221E+03 0.56137E-04 -0.83831E-05 3543 0.273E-02 0.534E-02 RMM: 6 -0.330874991257E+03 0.12964E-04 -0.22206E-05 2526 0.139E-02 5305 T= 6434. E= 0.67558069E+03 F= 0.62539400E+03 E0= 0.65390541E+03 EK= 0.52391E+02 SP= -.22E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331968325387E+03 -0.10933E+01 -0.11752E-01 7552 0.243E+01 0.216E-01 RMM: 2 -0.331985227741E+03 -0.16902E-01 -0.85836E-02 4898 0.714E-01 0.119E+00 RMM: 3 -0.331975395983E+03 0.98318E-02 -0.10530E-02 5508 0.225E-01 0.210E-01 RMM: 4 -0.331975045069E+03 0.35091E-03 -0.90377E-04 4678 0.643E-02 0.790E-02 RMM: 5 -0.331975009503E+03 0.35565E-04 -0.11284E-04 3933 0.274E-02 0.690E-02 RMM: 6 -0.331974983704E+03 0.25799E-04 -0.23171E-05 2549 0.145E-02 0.451E-02 RMM: 7 -0.331974982981E+03 0.72263E-06 -0.21707E-05 2518 0.145E-02 5306 T= 6583. E= 0.67557423E+03 F= 0.62429401E+03 E0= 0.65281926E+03 EK= 0.53611E+02 SP= -.24E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332731215948E+03 -0.75623E+00 -0.12268E-01 7632 0.246E+01 0.172E-01 RMM: 2 -0.332745418726E+03 -0.14203E-01 -0.10619E-01 4747 0.774E-01 0.824E-01 RMM: 3 -0.332740512470E+03 0.49063E-02 -0.12863E-02 5765 0.219E-01 0.173E-01 RMM: 4 -0.332740217002E+03 0.29547E-03 -0.78867E-04 4702 0.647E-02 0.109E-01 RMM: 5 -0.332740155705E+03 0.61296E-04 -0.12684E-04 3785 0.309E-02 0.684E-02 RMM: 6 -0.332740127107E+03 0.28598E-04 -0.26559E-05 2627 0.156E-02 0.306E-02 RMM: 7 -0.332740128709E+03 -0.16023E-05 -0.14724E-05 2485 0.126E-02 5307 T= 6692. E= 0.67557016E+03 F= 0.62352886E+03 E0= 0.65206733E+03 EK= 0.54498E+02 SP= -.25E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333114960863E+03 -0.37483E+00 -0.11939E-01 7800 0.248E+01 0.154E-01 RMM: 2 -0.333126485434E+03 -0.11525E-01 -0.91437E-02 4840 0.714E-01 0.726E-01 RMM: 3 -0.333122809922E+03 0.36755E-02 -0.10462E-02 5890 0.197E-01 0.129E-01 RMM: 4 -0.333122602041E+03 0.20788E-03 -0.50414E-04 4679 0.515E-02 0.102E-01 RMM: 5 -0.333122529792E+03 0.72249E-04 -0.77523E-05 3506 0.264E-02 0.534E-02 RMM: 6 -0.333122516690E+03 0.13103E-04 -0.23224E-05 2537 0.142E-02 5308 T= 6754. E= 0.67556884E+03 F= 0.62314647E+03 E0= 0.65169550E+03 EK= 0.54999E+02 SP= -.26E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333101203912E+03 0.21326E-01 -0.12089E-01 7624 0.248E+01 0.177E-01 RMM: 2 -0.333115518700E+03 -0.14315E-01 -0.91975E-02 4849 0.718E-01 0.957E-01 RMM: 3 -0.333109064218E+03 0.64545E-02 -0.10790E-02 5651 0.212E-01 0.157E-01 RMM: 4 -0.333108821419E+03 0.24280E-03 -0.65824E-04 4822 0.540E-02 0.758E-02 RMM: 5 -0.333108783337E+03 0.38082E-04 -0.72981E-05 3554 0.244E-02 0.598E-02 RMM: 6 -0.333108769966E+03 0.13371E-04 -0.20804E-05 2523 0.134E-02 5309 T= 6766. E= 0.67557082E+03 F= 0.62316022E+03 E0= 0.65171688E+03 EK= 0.55098E+02 SP= -.27E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332721665455E+03 0.38712E+00 -0.11942E-01 7432 0.248E+01 0.306E-01 RMM: 2 -0.332748725411E+03 -0.27060E-01 -0.95289E-02 4939 0.753E-01 0.171E+00 RMM: 3 -0.332728923162E+03 0.19802E-01 -0.13550E-02 5396 0.277E-01 0.307E-01 RMM: 4 -0.332728235017E+03 0.68814E-03 -0.15286E-03 4756 0.811E-02 0.893E-02 RMM: 5 -0.332728211747E+03 0.23271E-04 -0.17119E-04 3942 0.312E-02 0.882E-02 RMM: 6 -0.332728161588E+03 0.50158E-04 -0.29250E-05 2688 0.164E-02 0.483E-02 RMM: 7 -0.332728163073E+03 -0.14852E-05 -0.20530E-05 2517 0.143E-02 5310 T= 6732. E= 0.67557565E+03 F= 0.62354083E+03 E0= 0.65210111E+03 EK= 0.54822E+02 SP= -.28E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332050075243E+03 0.67809E+00 -0.11969E-01 7608 0.246E+01 0.273E-01 RMM: 2 -0.332071762133E+03 -0.21687E-01 -0.93276E-02 4900 0.727E-01 0.143E+00 RMM: 3 -0.332057480542E+03 0.14282E-01 -0.12809E-02 5381 0.261E-01 0.279E-01 RMM: 4 -0.332056988386E+03 0.49216E-03 -0.14352E-03 4822 0.806E-02 0.113E-01 RMM: 5 -0.332057004681E+03 -0.16295E-04 -0.20228E-04 3890 0.348E-02 0.130E-01 RMM: 6 -0.332056891741E+03 0.11294E-03 -0.58960E-05 3332 0.228E-02 0.336E-02 RMM: 7 -0.332056890301E+03 0.14401E-05 -0.15702E-05 2510 0.123E-02 5311 T= 6662. E= 0.67558370E+03 F= 0.62421210E+03 E0= 0.65277284E+03 EK= 0.54249E+02 SP= -.29E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331206060904E+03 0.85083E+00 -0.11909E-01 7520 0.244E+01 0.234E-01 RMM: 2 -0.331224988941E+03 -0.18928E-01 -0.97107E-02 4931 0.740E-01 0.127E+00 RMM: 3 -0.331213974889E+03 0.11014E-01 -0.11754E-02 5475 0.237E-01 0.210E-01 RMM: 4 -0.331213647508E+03 0.32738E-03 -0.99441E-04 4772 0.643E-02 0.966E-02 RMM: 5 -0.331213592478E+03 0.55030E-04 -0.12114E-04 3829 0.298E-02 0.738E-02 RMM: 6 -0.331213557721E+03 0.34756E-04 -0.29674E-05 2755 0.161E-02 0.456E-02 RMM: 7 -0.331213556789E+03 0.93250E-06 -0.21897E-05 2532 0.144E-02 5312 T= 6570. E= 0.67559459E+03 F= 0.62505543E+03 E0= 0.65361398E+03 EK= 0.53499E+02 SP= -.30E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330342171175E+03 0.87139E+00 -0.11677E-01 7712 0.241E+01 0.180E-01 RMM: 2 -0.330354910244E+03 -0.12739E-01 -0.95234E-02 4856 0.739E-01 0.814E-01 RMM: 3 -0.330350272038E+03 0.46382E-02 -0.11276E-02 5754 0.210E-01 0.145E-01 RMM: 4 -0.330350046122E+03 0.22592E-03 -0.65868E-04 4783 0.563E-02 0.989E-02 RMM: 5 -0.330349994151E+03 0.51970E-04 -0.92604E-05 3640 0.273E-02 0.627E-02 RMM: 6 -0.330349972526E+03 0.21625E-04 -0.23165E-05 2555 0.144E-02 0.383E-02 RMM: 7 -0.330349974892E+03 -0.23651E-05 -0.16950E-05 2500 0.130E-02 5313 T= 6475. E= 0.67560628E+03 F= 0.62591901E+03 E0= 0.65447494E+03 EK= 0.52725E+02 SP= -.31E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329621085496E+03 0.72889E+00 -0.12371E-01 7720 0.238E+01 0.165E-01 RMM: 2 -0.329635820229E+03 -0.14735E-01 -0.12660E-01 4754 0.854E-01 0.696E-01 RMM: 3 -0.329632314165E+03 0.35061E-02 -0.15126E-02 6019 0.223E-01 0.133E-01 RMM: 4 -0.329631999727E+03 0.31444E-03 -0.66911E-04 4768 0.613E-02 0.119E-01 RMM: 5 -0.329631920451E+03 0.79275E-04 -0.10366E-04 3683 0.308E-02 0.643E-02 RMM: 6 -0.329631897269E+03 0.23182E-04 -0.28264E-05 2595 0.158E-02 0.410E-02 RMM: 7 -0.329631897717E+03 -0.44752E-06 -0.22923E-05 2521 0.147E-02 5314 T= 6397. E= 0.67561688E+03 F= 0.62663709E+03 E0= 0.65519027E+03 EK= 0.52096E+02 SP= -.31E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329200861675E+03 0.43104E+00 -0.11832E-01 7888 0.235E+01 0.163E-01 RMM: 2 -0.329212353353E+03 -0.11492E-01 -0.91689E-02 4879 0.715E-01 0.711E-01 RMM: 3 -0.329208658111E+03 0.36952E-02 -0.10139E-02 5824 0.198E-01 0.129E-01 RMM: 4 -0.329208470292E+03 0.18782E-03 -0.52652E-04 4717 0.514E-02 0.985E-02 RMM: 5 -0.329208419458E+03 0.50835E-04 -0.78111E-05 3514 0.263E-02 0.602E-02 RMM: 6 -0.329208402027E+03 0.17431E-04 -0.23843E-05 2559 0.148E-02 5315 T= 6356. E= 0.67562421E+03 F= 0.62706059E+03 E0= 0.65561307E+03 EK= 0.51762E+02 SP= -.32E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329169843793E+03 0.38576E-01 -0.12382E-01 7896 0.234E+01 0.200E-01 RMM: 2 -0.329189046212E+03 -0.19202E-01 -0.11526E-01 4833 0.790E-01 0.114E+00 RMM: 3 -0.329179777715E+03 0.92685E-02 -0.12894E-02 5559 0.233E-01 0.196E-01 RMM: 4 -0.329179430581E+03 0.34713E-03 -0.88351E-04 4787 0.635E-02 0.809E-02 RMM: 5 -0.329179403132E+03 0.27448E-04 -0.11085E-04 3913 0.276E-02 0.692E-02 RMM: 6 -0.329179381633E+03 0.21500E-04 -0.24125E-05 2562 0.143E-02 0.537E-02 RMM: 7 -0.329179395314E+03 -0.13681E-04 -0.33845E-05 2832 0.175E-02 5316 T= 6364. E= 0.67562610E+03 F= 0.62708959E+03 E0= 0.65564469E+03 EK= 0.51822E+02 SP= -.33E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329566278291E+03 -0.38690E+00 -0.12138E-01 8344 0.234E+01 0.229E-01 RMM: 2 -0.329584035970E+03 -0.17758E-01 -0.94059E-02 4955 0.712E-01 0.119E+00 RMM: 3 -0.329573798010E+03 0.10238E-01 -0.10357E-02 5430 0.229E-01 0.212E-01 RMM: 4 -0.329573528418E+03 0.26959E-03 -0.10611E-03 4710 0.698E-02 0.105E-01 RMM: 5 -0.329573527061E+03 0.13567E-05 -0.14836E-04 3887 0.305E-02 5317 T= 6423. E= 0.67562389E+03 F= 0.62669546E+03 E0= 0.65525777E+03 EK= 0.52306E+02 SP= -.34E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330334692744E+03 -0.76116E+00 -0.13358E-01 8296 0.236E+01 0.183E-01 RMM: 2 -0.330352995584E+03 -0.18303E-01 -0.13591E-01 5093 0.820E-01 0.936E-01 RMM: 3 -0.330346375567E+03 0.66200E-02 -0.13095E-02 5795 0.223E-01 0.186E-01 RMM: 4 -0.330346014141E+03 0.36143E-03 -0.74050E-04 5018 0.576E-02 0.926E-02 RMM: 5 -0.330345960000E+03 0.54141E-04 -0.87770E-05 3732 0.252E-02 0.801E-02 RMM: 6 -0.330345942720E+03 0.17280E-04 -0.28763E-05 2605 0.161E-02 5318 T= 6529. E= 0.67561769E+03 F= 0.62592305E+03 E0= 0.65449714E+03 EK= 0.53169E+02 SP= -.35E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331382999066E+03 -0.10370E+01 -0.13591E-01 8520 0.238E+01 0.314E-01 RMM: 2 -0.331417387132E+03 -0.34388E-01 -0.14022E-01 5006 0.835E-01 0.182E+00 RMM: 3 -0.331393987946E+03 0.23399E-01 -0.16908E-02 5387 0.304E-01 0.253E-01 RMM: 4 -0.331393576015E+03 0.41193E-03 -0.18992E-03 5212 0.793E-02 0.107E-01 RMM: 5 -0.331393500275E+03 0.75740E-04 -0.14626E-04 3887 0.316E-02 0.898E-02 RMM: 6 -0.331393460788E+03 0.39487E-04 -0.32399E-05 2779 0.171E-02 0.609E-02 RMM: 7 -0.331393473372E+03 -0.12584E-04 -0.34700E-05 2885 0.182E-02 5319 T= 6668. E= 0.67560823E+03 F= 0.62487552E+03 E0= 0.65346772E+03 EK= 0.54304E+02 SP= -.36E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332571009548E+03 -0.11775E+01 -0.15099E-01 8872 0.242E+01 0.430E-01 RMM: 2 -0.332619332977E+03 -0.48323E-01 -0.17975E-01 5062 0.971E-01 0.224E+00 RMM: 3 -0.332584684490E+03 0.34648E-01 -0.24556E-02 5415 0.366E-01 0.403E-01 RMM: 4 -0.332583516931E+03 0.11676E-02 -0.28869E-03 5294 0.112E-01 0.144E-01 RMM: 5 -0.332583595087E+03 -0.78156E-04 -0.41327E-04 3946 0.472E-02 0.191E-01 RMM: 6 -0.332583349826E+03 0.24526E-03 -0.12911E-04 3864 0.319E-02 0.490E-02 RMM: 7 -0.332583345772E+03 0.40533E-05 -0.26278E-05 2688 0.145E-02 5320 T= 6825. E= 0.67559818E+03 F= 0.62368564E+03 E0= 0.65230100E+03 EK= 0.55577E+02 SP= -.37E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333762132308E+03 -0.11788E+01 -0.17474E-01 9048 0.245E+01 0.257E-01 RMM: 2 -0.333791795205E+03 -0.29663E-01 -0.19018E-01 5159 0.922E-01 0.134E+00 RMM: 3 -0.333778142106E+03 0.13653E-01 -0.17044E-02 5569 0.272E-01 0.241E-01 RMM: 4 -0.333777684379E+03 0.45773E-03 -0.14056E-03 4935 0.760E-02 0.122E-01 RMM: 5 -0.333777592313E+03 0.92066E-04 -0.17356E-04 3960 0.332E-02 0.933E-02 RMM: 6 -0.333777547774E+03 0.44539E-04 -0.40719E-05 2990 0.186E-02 0.655E-02 RMM: 7 -0.333777553808E+03 -0.60341E-05 -0.40847E-05 2887 0.186E-02 5321 T= 6980. E= 0.67558897E+03 F= 0.62249144E+03 E0= 0.65113451E+03 EK= 0.56843E+02 SP= -.38E+01 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334833651801E+03 -0.10561E+01 -0.20053E-01 9088 0.248E+01 0.225E-01 RMM: 2 -0.334858455383E+03 -0.24804E-01 -0.20779E-01 5171 0.964E-01 0.914E-01 RMM: 3 -0.334851323896E+03 0.71315E-02 -0.17712E-02 6116 0.255E-01 0.208E-01 RMM: 4 -0.334850844915E+03 0.47898E-03 -0.10207E-03 4796 0.713E-02 0.123E-01 RMM: 5 -0.334850768011E+03 0.76904E-04 -0.15375E-04 3914 0.307E-02 0.919E-02 RMM: 6 -0.334850724153E+03 0.43858E-04 -0.32730E-05 2841 0.175E-02 0.503E-02 RMM: 7 -0.334850728557E+03 -0.44043E-05 -0.26783E-05 2597 0.155E-02 5322 T= 7119. E= 0.67558160E+03 F= 0.62141826E+03 E0= 0.65009196E+03 EK= 0.57972E+02 SP= -.38E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335683219417E+03 -0.83250E+00 -0.23546E-01 9000 0.250E+01 0.215E-01 RMM: 2 -0.335710303695E+03 -0.27084E-01 -0.23847E-01 5337 0.101E+00 0.837E-01 RMM: 3 -0.335703494255E+03 0.68094E-02 -0.17845E-02 6102 0.251E-01 0.186E-01 RMM: 4 -0.335703103051E+03 0.39120E-03 -0.10386E-03 4820 0.730E-02 0.156E-01 RMM: 5 -0.335702942992E+03 0.16006E-03 -0.17709E-04 3903 0.342E-02 0.829E-02 RMM: 6 -0.335702908062E+03 0.34929E-04 -0.40089E-05 3055 0.185E-02 0.534E-02 RMM: 7 -0.335702907271E+03 0.79126E-06 -0.35075E-05 2638 0.172E-02 5323 T= 7227. E= 0.67557527E+03 F= 0.62056608E+03 E0= 0.64927081E+03 EK= 0.58857E+02 SP= -.38E+01 SK= 0.88E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336237241181E+03 -0.53433E+00 -0.25963E-01 8984 0.251E+01 0.197E-01 RMM: 2 -0.336263244605E+03 -0.26003E-01 -0.23702E-01 5531 0.986E-01 0.731E-01 RMM: 3 -0.336257392049E+03 0.58526E-02 -0.15324E-02 6151 0.237E-01 0.170E-01 RMM: 4 -0.336257072023E+03 0.32003E-03 -0.82845E-04 4790 0.639E-02 0.136E-01 RMM: 5 -0.336256951554E+03 0.12047E-03 -0.13136E-04 3869 0.297E-02 0.818E-02 RMM: 6 -0.336256922286E+03 0.29269E-04 -0.35715E-05 2902 0.179E-02 0.553E-02 RMM: 7 -0.336256930499E+03 -0.82127E-05 -0.48836E-05 3054 0.188E-02 5324 T= 7296. E= 0.67557097E+03 F= 0.62001206E+03 E0= 0.64874399E+03 EK= 0.59414E+02 SP= -.39E+01 SK= 0.14E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336442102228E+03 -0.18518E+00 -0.27585E-01 8936 0.251E+01 0.204E-01 RMM: 2 -0.336468649541E+03 -0.26547E-01 -0.24254E-01 5698 0.984E-01 0.734E-01 RMM: 3 -0.336462592873E+03 0.60567E-02 -0.14106E-02 6128 0.232E-01 0.168E-01 RMM: 4 -0.336462370300E+03 0.22257E-03 -0.88473E-04 4779 0.670E-02 0.164E-01 RMM: 5 -0.336462202815E+03 0.16749E-03 -0.15941E-04 3896 0.335E-02 0.790E-02 RMM: 6 -0.336462169909E+03 0.32905E-04 -0.37216E-05 2985 0.183E-02 0.448E-02 RMM: 7 -0.336462175481E+03 -0.55716E-05 -0.28755E-05 2594 0.159E-02 5325 T= 7318. E= 0.67556863E+03 F= 0.61980681E+03 E0= 0.64855994E+03 EK= 0.59591E+02 SP= -.38E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336271636092E+03 0.19053E+00 -0.29385E-01 8896 0.251E+01 0.188E-01 RMM: 2 -0.336299479296E+03 -0.27843E-01 -0.25574E-01 5701 0.102E+00 0.713E-01 RMM: 3 -0.336293735997E+03 0.57433E-02 -0.15695E-02 6061 0.240E-01 0.162E-01 RMM: 4 -0.336293448293E+03 0.28770E-03 -0.87028E-04 4826 0.663E-02 0.141E-01 RMM: 5 -0.336293311319E+03 0.13697E-03 -0.13700E-04 3904 0.313E-02 0.726E-02 RMM: 6 -0.336293288636E+03 0.22683E-04 -0.33764E-05 2820 0.173E-02 0.516E-02 RMM: 7 -0.336293297256E+03 -0.86204E-05 -0.35643E-05 2651 0.171E-02 5326 T= 7289. E= 0.67556818E+03 F= 0.61997569E+03 E0= 0.64874031E+03 EK= 0.59360E+02 SP= -.38E+01 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335729317912E+03 0.56397E+00 -0.29122E-01 8760 0.250E+01 0.185E-01 RMM: 2 -0.335755178308E+03 -0.25860E-01 -0.24064E-01 5894 0.988E-01 0.659E-01 RMM: 3 -0.335750204717E+03 0.49736E-02 -0.13565E-02 6002 0.232E-01 0.142E-01 RMM: 4 -0.335750034038E+03 0.17068E-03 -0.78364E-04 4832 0.621E-02 0.153E-01 RMM: 5 -0.335749888822E+03 0.14522E-03 -0.13548E-04 3894 0.327E-02 0.698E-02 RMM: 6 -0.335749866055E+03 0.22767E-04 -0.33261E-05 2872 0.172E-02 0.467E-02 RMM: 7 -0.335749874353E+03 -0.82982E-05 -0.33551E-05 2620 0.173E-02 5327 T= 7211. E= 0.67556892E+03 F= 0.62051911E+03 E0= 0.64928425E+03 EK= 0.58722E+02 SP= -.37E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334834342082E+03 0.91552E+00 -0.27757E-01 8784 0.248E+01 0.187E-01 RMM: 2 -0.334860059643E+03 -0.25718E-01 -0.23223E-01 5981 0.961E-01 0.728E-01 RMM: 3 -0.334854337544E+03 0.57221E-02 -0.12788E-02 5827 0.230E-01 0.156E-01 RMM: 4 -0.334854177838E+03 0.15971E-03 -0.81693E-04 4868 0.640E-02 0.151E-01 RMM: 5 -0.334854022131E+03 0.15571E-03 -0.13529E-04 3892 0.313E-02 0.704E-02 RMM: 6 -0.334853999147E+03 0.22984E-04 -0.31882E-05 2796 0.170E-02 0.462E-02 RMM: 7 -0.334854007858E+03 -0.87104E-05 -0.31048E-05 2611 0.160E-02 5328 T= 7086. E= 0.67557166E+03 F= 0.62141498E+03 E0= 0.65016865E+03 EK= 0.57706E+02 SP= -.36E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333633801549E+03 0.12202E+01 -0.26799E-01 8808 0.246E+01 0.183E-01 RMM: 2 -0.333658559848E+03 -0.24758E-01 -0.22848E-01 5807 0.985E-01 0.665E-01 RMM: 3 -0.333653866421E+03 0.46934E-02 -0.14691E-02 5881 0.241E-01 0.143E-01 RMM: 4 -0.333653648548E+03 0.21787E-03 -0.78497E-04 4853 0.626E-02 0.146E-01 RMM: 5 -0.333653520813E+03 0.12773E-03 -0.13152E-04 3899 0.332E-02 0.722E-02 RMM: 6 -0.333653495709E+03 0.25104E-04 -0.36513E-05 2937 0.179E-02 0.480E-02 RMM: 7 -0.333653498809E+03 -0.31006E-05 -0.44079E-05 2825 0.193E-02 5329 T= 6922. E= 0.67557606E+03 F= 0.62261549E+03 E0= 0.65134670E+03 EK= 0.56365E+02 SP= -.34E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332205417184E+03 0.14481E+01 -0.24258E-01 8856 0.242E+01 0.193E-01 RMM: 2 -0.332229442757E+03 -0.24026E-01 -0.21018E-01 5704 0.942E-01 0.780E-01 RMM: 3 -0.332223526819E+03 0.59159E-02 -0.13621E-02 5936 0.235E-01 0.152E-01 RMM: 4 -0.332223343402E+03 0.18342E-03 -0.83472E-04 4803 0.663E-02 0.150E-01 RMM: 5 -0.332223193349E+03 0.15005E-03 -0.14042E-04 3859 0.319E-02 0.735E-02 RMM: 6 -0.332223167838E+03 0.25511E-04 -0.31412E-05 2781 0.171E-02 0.462E-02 RMM: 7 -0.332223176196E+03 -0.83581E-05 -0.30738E-05 2614 0.163E-02 5330 T= 6727. E= 0.67558232E+03 F= 0.62404581E+03 E0= 0.65274473E+03 EK= 0.54783E+02 SP= -.33E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330649644502E+03 0.15735E+01 -0.21704E-01 8856 0.239E+01 0.181E-01 RMM: 2 -0.330670827014E+03 -0.21183E-01 -0.19686E-01 5909 0.905E-01 0.621E-01 RMM: 3 -0.330666510789E+03 0.43162E-02 -0.11698E-02 5863 0.217E-01 0.142E-01 RMM: 4 -0.330666361118E+03 0.14967E-03 -0.69399E-04 4779 0.575E-02 0.150E-01 RMM: 5 -0.330666213663E+03 0.14746E-03 -0.12019E-04 3830 0.301E-02 0.731E-02 RMM: 6 -0.330666189008E+03 0.24654E-04 -0.32953E-05 2854 0.173E-02 0.498E-02 RMM: 7 -0.330666183869E+03 0.51396E-05 -0.53487E-05 3085 0.201E-02 5331 T= 6517. E= 0.67559082E+03 F= 0.62560281E+03 E0= 0.65426269E+03 EK= 0.53072E+02 SP= -.31E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329099118491E+03 0.15671E+01 -0.19268E-01 8840 0.235E+01 0.199E-01 RMM: 2 -0.329120620873E+03 -0.21502E-01 -0.19077E-01 5541 0.905E-01 0.747E-01 RMM: 3 -0.329115309080E+03 0.53118E-02 -0.13336E-02 6119 0.219E-01 0.184E-01 RMM: 4 -0.329115014710E+03 0.29437E-03 -0.80902E-04 4748 0.656E-02 0.146E-01 RMM: 5 -0.329114866530E+03 0.14818E-03 -0.14206E-04 3834 0.300E-02 0.824E-02 RMM: 6 -0.329114834702E+03 0.31829E-04 -0.32397E-05 2874 0.176E-02 0.504E-02 RMM: 7 -0.329114839790E+03 -0.50883E-05 -0.32958E-05 2633 0.161E-02 5332 T= 6309. E= 0.67560136E+03 F= 0.62715415E+03 E0= 0.65577205E+03 EK= 0.51373E+02 SP= -.30E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327715716541E+03 0.13991E+01 -0.17052E-01 8800 0.230E+01 0.206E-01 RMM: 2 -0.327736693525E+03 -0.20977E-01 -0.17258E-01 5500 0.867E-01 0.857E-01 RMM: 3 -0.327730335207E+03 0.63583E-02 -0.12627E-02 5920 0.217E-01 0.204E-01 RMM: 4 -0.327729989039E+03 0.34617E-03 -0.81854E-04 4735 0.636E-02 0.126E-01 RMM: 5 -0.327729878973E+03 0.11007E-03 -0.13144E-04 3805 0.281E-02 0.804E-02 RMM: 6 -0.327729851878E+03 0.27095E-04 -0.32799E-05 2887 0.176E-02 0.566E-02 RMM: 7 -0.327729858305E+03 -0.64270E-05 -0.36053E-05 2680 0.168E-02 5333 T= 6122. E= 0.67561315E+03 F= 0.62853913E+03 E0= 0.65711589E+03 EK= 0.49854E+02 SP= -.28E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326675935731E+03 0.10539E+01 -0.14780E-01 8648 0.227E+01 0.199E-01 RMM: 2 -0.326693181613E+03 -0.17246E-01 -0.15219E-01 5475 0.827E-01 0.710E-01 RMM: 3 -0.326688737590E+03 0.44440E-02 -0.11549E-02 6133 0.202E-01 0.153E-01 RMM: 4 -0.326688526477E+03 0.21111E-03 -0.65717E-04 4706 0.576E-02 0.149E-01 RMM: 5 -0.326688380998E+03 0.14548E-03 -0.11610E-04 3778 0.282E-02 0.748E-02 RMM: 6 -0.326688358063E+03 0.22934E-04 -0.28543E-05 2777 0.164E-02 0.530E-02 RMM: 7 -0.326688357700E+03 0.36389E-06 -0.35921E-05 2653 0.168E-02 5334 T= 5980. E= 0.67562363E+03 F= 0.62958063E+03 E0= 0.65812112E+03 EK= 0.48694E+02 SP= -.27E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326138076612E+03 0.55028E+00 -0.12755E-01 8272 0.224E+01 0.202E-01 RMM: 2 -0.326155827653E+03 -0.17751E-01 -0.14528E-01 5209 0.835E-01 0.820E-01 RMM: 3 -0.326150573864E+03 0.52538E-02 -0.13536E-02 6027 0.215E-01 0.182E-01 RMM: 4 -0.326150192136E+03 0.38173E-03 -0.72178E-04 4762 0.605E-02 0.114E-01 RMM: 5 -0.326150112772E+03 0.79364E-04 -0.11301E-04 3782 0.271E-02 0.821E-02 RMM: 6 -0.326150079607E+03 0.33166E-04 -0.30958E-05 2828 0.173E-02 0.507E-02 RMM: 7 -0.326150082420E+03 -0.28131E-05 -0.35814E-05 2649 0.172E-02 5335 T= 5901. E= 0.67562975E+03 F= 0.63011891E+03 E0= 0.65862963E+03 EK= 0.48054E+02 SP= -.26E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326201049525E+03 -0.50970E-01 -0.10880E-01 8016 0.223E+01 0.175E-01 RMM: 2 -0.326214307287E+03 -0.13258E-01 -0.11383E-01 5230 0.738E-01 0.678E-01 RMM: 3 -0.326210649499E+03 0.36578E-02 -0.10065E-02 6076 0.187E-01 0.125E-01 RMM: 4 -0.326210464286E+03 0.18521E-03 -0.53133E-04 4648 0.509E-02 0.116E-01 RMM: 5 -0.326210375657E+03 0.88629E-04 -0.78598E-05 3545 0.237E-02 0.644E-02 RMM: 6 -0.326210358842E+03 0.16814E-04 -0.23611E-05 2564 0.150E-02 5336 T= 5898. E= 0.67562873E+03 F= 0.63005863E+03 E0= 0.65854662E+03 EK= 0.48026E+02 SP= -.25E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326847437654E+03 -0.63706E+00 -0.10715E-01 8160 0.224E+01 0.185E-01 RMM: 2 -0.326863400642E+03 -0.15963E-01 -0.11597E-01 5061 0.739E-01 0.898E-01 RMM: 3 -0.326857230659E+03 0.61700E-02 -0.10871E-02 5685 0.211E-01 0.163E-01 RMM: 4 -0.326856990123E+03 0.24054E-03 -0.70741E-04 4925 0.547E-02 0.875E-02 RMM: 5 -0.326856942809E+03 0.47314E-04 -0.83311E-05 3685 0.239E-02 0.657E-02 RMM: 6 -0.326856927540E+03 0.15269E-04 -0.23031E-05 2566 0.143E-02 5337 T= 5968. E= 0.67561976E+03 F= 0.62941206E+03 E0= 0.65788443E+03 EK= 0.48598E+02 SP= -.24E+01 SK= 0.78E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327954802729E+03 -0.10979E+01 -0.12236E-01 8752 0.228E+01 0.259E-01 RMM: 2 -0.327979529101E+03 -0.24726E-01 -0.12209E-01 5129 0.776E-01 0.144E+00 RMM: 3 -0.327964855281E+03 0.14674E-01 -0.12155E-02 5405 0.250E-01 0.270E-01 RMM: 4 -0.327964329298E+03 0.52598E-03 -0.12944E-03 4741 0.753E-02 0.944E-02 RMM: 5 -0.327964302490E+03 0.26808E-04 -0.16288E-04 4029 0.302E-02 0.915E-02 RMM: 6 -0.327964261694E+03 0.40795E-04 -0.30325E-05 2669 0.168E-02 0.607E-02 RMM: 7 -0.327964284840E+03 -0.23145E-04 -0.40321E-05 3014 0.187E-02 0.881E-02 RMM: 8 -0.327964238358E+03 0.46481E-04 -0.86984E-05 3866 0.211E-02 0.417E-02 RMM: 9 -0.327964232647E+03 0.57118E-05 -0.18394E-05 2566 0.126E-02 5338 T= 6096. E= 0.67560554E+03 F= 0.62830476E+03 E0= 0.65676679E+03 EK= 0.49643E+02 SP= -.23E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329324340381E+03 -0.13601E+01 -0.14896E-01 9064 0.233E+01 0.315E-01 RMM: 2 -0.329353386361E+03 -0.29046E-01 -0.14342E-01 5181 0.822E-01 0.156E+00 RMM: 3 -0.329335874776E+03 0.17512E-01 -0.15080E-02 5427 0.272E-01 0.307E-01 RMM: 4 -0.329335257588E+03 0.61719E-03 -0.18908E-03 4842 0.932E-02 0.146E-01 RMM: 5 -0.329335202220E+03 0.55368E-04 -0.27860E-04 3931 0.399E-02 0.137E-01 RMM: 6 -0.329335078697E+03 0.12352E-03 -0.74001E-05 3541 0.251E-02 0.437E-02 RMM: 7 -0.329335090313E+03 -0.11616E-04 -0.30849E-05 2710 0.164E-02 5339 T= 6258. E= 0.67559039E+03 F= 0.62693390E+03 E0= 0.65538784E+03 EK= 0.50964E+02 SP= -.23E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330749065142E+03 -0.14140E+01 -0.17532E-01 9120 0.238E+01 0.240E-01 RMM: 2 -0.330774125722E+03 -0.25061E-01 -0.16193E-01 5318 0.850E-01 0.124E+00 RMM: 3 -0.330762685615E+03 0.11440E-01 -0.13949E-02 5575 0.244E-01 0.265E-01 RMM: 4 -0.330762147341E+03 0.53827E-03 -0.12205E-03 4809 0.720E-02 0.106E-01 RMM: 5 -0.330762091484E+03 0.55857E-04 -0.15125E-04 4268 0.288E-02 0.914E-02 RMM: 6 -0.330762066380E+03 0.25104E-04 -0.27263E-05 2582 0.154E-02 0.819E-02 RMM: 7 -0.330762072494E+03 -0.61140E-05 -0.12391E-04 3892 0.271E-02 5340 T= 6429. E= 0.67557777E+03 F= 0.62550692E+03 E0= 0.65395214E+03 EK= 0.52352E+02 SP= -.23E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332066252602E+03 -0.13042E+01 -0.20341E-01 9128 0.242E+01 0.208E-01 RMM: 2 -0.332088665613E+03 -0.22413E-01 -0.17516E-01 5429 0.848E-01 0.963E-01 RMM: 3 -0.332080890171E+03 0.77754E-02 -0.12932E-02 5743 0.223E-01 0.171E-01 RMM: 4 -0.332080653096E+03 0.23708E-03 -0.94418E-04 4751 0.661E-02 0.139E-01 RMM: 5 -0.332080531932E+03 0.12116E-03 -0.14410E-04 3870 0.297E-02 0.816E-02 RMM: 6 -0.332080501949E+03 0.29983E-04 -0.30833E-05 2804 0.167E-02 0.601E-02 RMM: 7 -0.332080507317E+03 -0.53681E-05 -0.43927E-05 2937 0.182E-02 5341 T= 6587. E= 0.67557013E+03 F= 0.62418848E+03 E0= 0.65262347E+03 EK= 0.53638E+02 SP= -.23E+01 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333185011271E+03 -0.11045E+01 -0.24296E-01 9064 0.245E+01 0.233E-01 RMM: 2 -0.333212694263E+03 -0.27683E-01 -0.20680E-01 5156 0.956E-01 0.112E+00 RMM: 3 -0.333202828974E+03 0.98653E-02 -0.18458E-02 5909 0.261E-01 0.230E-01 RMM: 4 -0.333202263269E+03 0.56570E-03 -0.11019E-03 4855 0.711E-02 0.113E-01 RMM: 5 -0.333202196052E+03 0.67217E-04 -0.15373E-04 4146 0.299E-02 0.936E-02 RMM: 6 -0.333202162521E+03 0.33531E-04 -0.36527E-05 2864 0.174E-02 0.800E-02 RMM: 7 -0.333202187204E+03 -0.24683E-04 -0.12177E-04 3882 0.277E-02 0.115E-01 RMM: 8 -0.333202100823E+03 0.86381E-04 -0.13055E-04 3882 0.264E-02 0.352E-02 RMM: 9 -0.333202099391E+03 0.14322E-05 -0.22814E-05 2599 0.130E-02 5342 T= 6721. E= 0.67556851E+03 F= 0.62306689E+03 E0= 0.65148994E+03 EK= 0.54729E+02 SP= -.22E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334104194857E+03 -0.90209E+00 -0.27260E-01 9120 0.247E+01 0.225E-01 RMM: 2 -0.334130433910E+03 -0.26239E-01 -0.21931E-01 5399 0.960E-01 0.934E-01 RMM: 3 -0.334122748859E+03 0.76851E-02 -0.16299E-02 6026 0.244E-01 0.206E-01 RMM: 4 -0.334122321399E+03 0.42746E-03 -0.10158E-03 4747 0.728E-02 0.142E-01 RMM: 5 -0.334122193568E+03 0.12783E-03 -0.17100E-04 3897 0.318E-02 0.914E-02 RMM: 6 -0.334122153298E+03 0.40271E-04 -0.46225E-05 3127 0.200E-02 0.602E-02 RMM: 7 -0.334122178847E+03 -0.25550E-04 -0.62253E-05 3385 0.200E-02 0.964E-02 RMM: 8 -0.334122118861E+03 0.59986E-04 -0.78316E-05 3735 0.215E-02 0.265E-02 RMM: 9 -0.334122120695E+03 -0.18338E-05 -0.16512E-05 2525 0.112E-02 5343 T= 6829. E= 0.67557150E+03 F= 0.62214687E+03 E0= 0.65055684E+03 EK= 0.55615E+02 SP= -.22E+01 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334877673527E+03 -0.75555E+00 -0.28409E-01 9032 0.246E+01 0.244E-01 RMM: 2 -0.334907525443E+03 -0.29852E-01 -0.23263E-01 5388 0.998E-01 0.108E+00 RMM: 3 -0.334897476015E+03 0.10049E-01 -0.18043E-02 5841 0.260E-01 0.232E-01 RMM: 4 -0.334896946548E+03 0.52947E-03 -0.11980E-03 4842 0.752E-02 0.122E-01 RMM: 5 -0.334896880448E+03 0.66101E-04 -0.17508E-04 3989 0.316E-02 0.996E-02 RMM: 6 -0.334896823657E+03 0.56791E-04 -0.39994E-05 3005 0.187E-02 0.599E-02 RMM: 7 -0.334896838372E+03 -0.14715E-04 -0.62345E-05 3418 0.214E-02 5344 T= 6919. E= 0.67557490E+03 F= 0.62137215E+03 E0= 0.64977064E+03 EK= 0.56341E+02 SP= -.21E+01 SK= 0.65E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335574344870E+03 -0.67752E+00 -0.27300E-01 8992 0.246E+01 0.239E-01 RMM: 2 -0.335602238434E+03 -0.27894E-01 -0.22015E-01 5522 0.962E-01 0.105E+00 RMM: 3 -0.335593051931E+03 0.91865E-02 -0.15061E-02 5927 0.244E-01 0.244E-01 RMM: 4 -0.335592519579E+03 0.53235E-03 -0.10597E-03 4778 0.712E-02 0.107E-01 RMM: 5 -0.335592462019E+03 0.57560E-04 -0.14693E-04 4240 0.276E-02 0.835E-02 RMM: 6 -0.335592440517E+03 0.21502E-04 -0.31855E-05 2810 0.172E-02 0.672E-02 RMM: 7 -0.335592480430E+03 -0.39912E-04 -0.81283E-05 3612 0.227E-02 0.107E-01 RMM: 8 -0.335592412010E+03 0.68419E-04 -0.73761E-05 3676 0.227E-02 0.326E-02 RMM: 9 -0.335592409561E+03 0.24490E-05 -0.14184E-05 2503 0.111E-02 5345 T= 6996. E= 0.67557543E+03 F= 0.62067658E+03 E0= 0.64906750E+03 EK= 0.56967E+02 SP= -.21E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336214425293E+03 -0.62201E+00 -0.25974E-01 8992 0.247E+01 0.243E-01 RMM: 2 -0.336240331550E+03 -0.25906E-01 -0.21168E-01 5487 0.927E-01 0.969E-01 RMM: 3 -0.336232126099E+03 0.82055E-02 -0.14077E-02 5775 0.241E-01 0.205E-01 RMM: 4 -0.336231827896E+03 0.29820E-03 -0.11041E-03 4791 0.714E-02 0.151E-01 RMM: 5 -0.336231709715E+03 0.11818E-03 -0.18114E-04 3912 0.326E-02 0.105E-01 RMM: 6 -0.336231645179E+03 0.64535E-04 -0.56721E-05 3302 0.221E-02 0.515E-02 RMM: 7 -0.336231669506E+03 -0.24327E-04 -0.44349E-05 3010 0.186E-02 0.857E-02 RMM: 8 -0.336231622614E+03 0.46892E-04 -0.66134E-05 3480 0.201E-02 0.294E-02 RMM: 9 -0.336231620408E+03 0.22069E-05 -0.13735E-05 2483 0.107E-02 5346 T= 7062. E= 0.67557197E+03 F= 0.62003737E+03 E0= 0.64842516E+03 EK= 0.57512E+02 SP= -.20E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336762251541E+03 -0.53063E+00 -0.26702E-01 9016 0.248E+01 0.217E-01 RMM: 2 -0.336787723538E+03 -0.25472E-01 -0.20698E-01 5726 0.905E-01 0.950E-01 RMM: 3 -0.336779703626E+03 0.80199E-02 -0.12285E-02 5702 0.222E-01 0.173E-01 RMM: 4 -0.336779491740E+03 0.21189E-03 -0.93866E-04 4760 0.663E-02 0.142E-01 RMM: 5 -0.336779377636E+03 0.11410E-03 -0.14629E-04 3885 0.295E-02 0.867E-02 RMM: 6 -0.336779348084E+03 0.29552E-04 -0.36211E-05 2961 0.181E-02 0.624E-02 RMM: 7 -0.336779373390E+03 -0.25307E-04 -0.69716E-05 3529 0.220E-02 0.914E-02 RMM: 8 -0.336779320439E+03 0.52952E-04 -0.46384E-05 3057 0.188E-02 0.289E-02 RMM: 9 -0.336779324621E+03 -0.41820E-05 -0.17165E-05 2505 0.119E-02 5347 T= 7115. E= 0.67556737E+03 F= 0.61948966E+03 E0= 0.64787884E+03 EK= 0.57940E+02 SP= -.19E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337165172735E+03 -0.38585E+00 -0.29609E-01 9032 0.250E+01 0.240E-01 RMM: 2 -0.337192355503E+03 -0.27183E-01 -0.23266E-01 5486 0.984E-01 0.906E-01 RMM: 3 -0.337185202497E+03 0.71530E-02 -0.16911E-02 5735 0.254E-01 0.195E-01 RMM: 4 -0.337184883108E+03 0.31939E-03 -0.11615E-03 4856 0.715E-02 0.158E-01 RMM: 5 -0.337184733882E+03 0.14923E-03 -0.17748E-04 3919 0.336E-02 0.924E-02 RMM: 6 -0.337184700002E+03 0.33880E-04 -0.47563E-05 3140 0.202E-02 0.648E-02 RMM: 7 -0.337184718275E+03 -0.18273E-04 -0.73333E-05 3594 0.221E-02 5348 T= 7147. E= 0.67556541E+03 F= 0.61908427E+03 E0= 0.64747782E+03 EK= 0.58202E+02 SP= -.18E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337416180524E+03 -0.23148E+00 -0.31601E-01 9048 0.250E+01 0.199E-01 RMM: 2 -0.337440437531E+03 -0.24257E-01 -0.22462E-01 6103 0.942E-01 0.682E-01 RMM: 3 -0.337436064138E+03 0.43734E-02 -0.10532E-02 5884 0.202E-01 0.182E-01 RMM: 4 -0.337435841132E+03 0.22301E-03 -0.72590E-04 4733 0.587E-02 0.151E-01 RMM: 5 -0.337435719819E+03 0.12131E-03 -0.12424E-04 3848 0.284E-02 0.934E-02 RMM: 6 -0.337435737155E+03 -0.17336E-04 -0.54307E-05 3257 0.206E-02 5349 T= 7158. E= 0.67556778E+03 F= 0.61883325E+03 E0= 0.64723150E+03 EK= 0.58287E+02 SP= -.16E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337556364698E+03 -0.12064E+00 -0.33022E-01 8968 0.249E+01 0.375E-01 RMM: 2 -0.337609252456E+03 -0.52888E-01 -0.26289E-01 5513 0.103E+00 0.206E+00 RMM: 3 -0.337578390482E+03 0.30862E-01 -0.22393E-02 5388 0.340E-01 0.345E-01 RMM: 4 -0.337577600718E+03 0.78976E-03 -0.25115E-03 5220 0.941E-02 0.136E-01 RMM: 5 -0.337577535444E+03 0.65274E-04 -0.24041E-04 4147 0.350E-02 0.113E-01 RMM: 6 -0.337577495911E+03 0.39533E-04 -0.55303E-05 3242 0.209E-02 0.883E-02 RMM: 7 -0.337577582183E+03 -0.86272E-04 -0.10448E-04 3788 0.273E-02 0.135E-01 RMM: 8 -0.337577492599E+03 0.89584E-04 -0.12438E-04 3885 0.258E-02 0.493E-02 RMM: 9 -0.337577480891E+03 0.11708E-04 -0.23521E-05 2655 0.142E-02 5350 T= 7151. E= 0.67557271E+03 F= 0.61869151E+03 E0= 0.64709378E+03 EK= 0.58236E+02 SP= -.14E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337659103019E+03 -0.81610E-01 -0.32755E-01 8952 0.247E+01 0.377E-01 RMM: 2 -0.337709925307E+03 -0.50822E-01 -0.26538E-01 5516 0.103E+00 0.197E+00 RMM: 3 -0.337681335975E+03 0.28589E-01 -0.20911E-02 5384 0.331E-01 0.359E-01 RMM: 4 -0.337680512598E+03 0.82338E-03 -0.25573E-03 5125 0.105E-01 0.168E-01 RMM: 5 -0.337680446786E+03 0.65812E-04 -0.33506E-04 4017 0.407E-02 0.147E-01 RMM: 6 -0.337680324183E+03 0.12260E-03 -0.87308E-05 3657 0.260E-02 0.644E-02 RMM: 7 -0.337680375516E+03 -0.51333E-04 -0.64060E-05 3401 0.202E-02 0.108E-01 RMM: 8 -0.337680326491E+03 0.49025E-04 -0.10057E-04 3876 0.266E-02 0.454E-02 RMM: 9 -0.337680318990E+03 0.75007E-05 -0.19057E-05 2555 0.127E-02 5351 T= 7137. E= 0.67557572E+03 F= 0.61858867E+03 E0= 0.64699148E+03 EK= 0.58118E+02 SP= -.12E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337765543734E+03 -0.85217E-01 -0.31391E-01 8688 0.245E+01 0.256E-01 RMM: 2 -0.337799728397E+03 -0.34185E-01 -0.25328E-01 5914 0.970E-01 0.123E+00 RMM: 3 -0.337787212584E+03 0.12516E-01 -0.13065E-02 5478 0.253E-01 0.228E-01 RMM: 4 -0.337786907002E+03 0.30558E-03 -0.12975E-03 4856 0.732E-02 0.137E-01 RMM: 5 -0.337786809523E+03 0.97479E-04 -0.16402E-04 4053 0.313E-02 0.904E-02 RMM: 6 -0.337786773393E+03 0.36130E-04 -0.33538E-05 2890 0.170E-02 0.655E-02 RMM: 7 -0.337786796897E+03 -0.23504E-04 -0.89776E-05 3771 0.247E-02 0.925E-02 RMM: 8 -0.337786744152E+03 0.52746E-04 -0.62395E-05 3361 0.201E-02 0.273E-02 RMM: 9 -0.337786745872E+03 -0.17201E-05 -0.14949E-05 2490 0.112E-02 5352 T= 7119. E= 0.67557447E+03 F= 0.61848224E+03 E0= 0.64688002E+03 EK= 0.57973E+02 SP= -.10E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337858637352E+03 -0.71893E-01 -0.30108E-01 8792 0.244E+01 0.246E-01 RMM: 2 -0.337889778004E+03 -0.31141E-01 -0.26123E-01 5751 0.976E-01 0.981E-01 RMM: 3 -0.337880629296E+03 0.91487E-02 -0.13637E-02 5697 0.246E-01 0.181E-01 RMM: 4 -0.337880464948E+03 0.16435E-03 -0.11383E-03 4842 0.706E-02 0.167E-01 RMM: 5 -0.337880295132E+03 0.16982E-03 -0.17109E-04 3899 0.331E-02 0.883E-02 RMM: 6 -0.337880260742E+03 0.34390E-04 -0.44592E-05 3098 0.196E-02 0.590E-02 RMM: 7 -0.337880282705E+03 -0.21963E-04 -0.58480E-05 3286 0.198E-02 0.899E-02 RMM: 8 -0.337880231171E+03 0.51534E-04 -0.51165E-05 3111 0.194E-02 0.265E-02 RMM: 9 -0.337880236705E+03 -0.55339E-05 -0.19409E-05 2508 0.124E-02 5353 T= 7096. E= 0.67556891E+03 F= 0.61838875E+03 E0= 0.64677583E+03 EK= 0.57786E+02 SP= -.74E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337868507508E+03 0.11724E-01 -0.30759E-01 8816 0.244E+01 0.232E-01 RMM: 2 -0.337899086335E+03 -0.30579E-01 -0.26701E-01 5773 0.982E-01 0.882E-01 RMM: 3 -0.337890980112E+03 0.81062E-02 -0.13229E-02 5804 0.237E-01 0.200E-01 RMM: 4 -0.337890756535E+03 0.22358E-03 -0.11348E-03 4790 0.735E-02 0.171E-01 RMM: 5 -0.337890567424E+03 0.18911E-03 -0.19032E-04 3889 0.358E-02 0.798E-02 RMM: 6 -0.337890543995E+03 0.23430E-04 -0.39532E-05 2998 0.185E-02 0.638E-02 RMM: 7 -0.337890552498E+03 -0.85037E-05 -0.70120E-05 3573 0.217E-02 5354 T= 7060. E= 0.67556154E+03 F= 0.61837844E+03 E0= 0.64674954E+03 EK= 0.57490E+02 SP= -.47E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337703160889E+03 0.18738E+00 -0.33033E-01 8784 0.243E+01 0.215E-01 RMM: 2 -0.337733523209E+03 -0.30362E-01 -0.27368E-01 5785 0.101E+00 0.785E-01 RMM: 3 -0.337726446060E+03 0.70771E-02 -0.14247E-02 5837 0.242E-01 0.193E-01 RMM: 4 -0.337726185459E+03 0.26060E-03 -0.98802E-04 4852 0.682E-02 0.151E-01 RMM: 5 -0.337726036905E+03 0.14855E-03 -0.15050E-04 3883 0.320E-02 0.838E-02 RMM: 6 -0.337726027366E+03 0.95389E-05 -0.38657E-05 2942 0.182E-02 5355 T= 6999. E= 0.67555521E+03 F= 0.61854296E+03 E0= 0.64689408E+03 EK= 0.56999E+02 SP= -.17E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337281283969E+03 0.44475E+00 -0.36877E-01 8856 0.242E+01 0.290E-01 RMM: 2 -0.337323129641E+03 -0.41846E-01 -0.29410E-01 5542 0.108E+00 0.144E+00 RMM: 3 -0.337306139696E+03 0.16990E-01 -0.19827E-02 5441 0.311E-01 0.228E-01 RMM: 4 -0.337305841923E+03 0.29777E-03 -0.18405E-03 5298 0.818E-02 0.141E-01 RMM: 5 -0.337305713994E+03 0.12793E-03 -0.18652E-04 4262 0.342E-02 0.927E-02 RMM: 6 -0.337305684818E+03 0.29177E-04 -0.43821E-05 3028 0.191E-02 0.742E-02 RMM: 7 -0.337305725228E+03 -0.40410E-04 -0.85383E-05 3730 0.240E-02 0.107E-01 RMM: 8 -0.337305656294E+03 0.68934E-04 -0.77252E-05 3685 0.212E-02 0.368E-02 RMM: 9 -0.337305660212E+03 -0.39174E-05 -0.23553E-05 2603 0.140E-02 5356 T= 6906. E= 0.67555147E+03 F= 0.61896333E+03 E0= 0.64729358E+03 EK= 0.56237E+02 SP= 0.14E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336556017045E+03 0.74964E+00 -0.37520E-01 8744 0.241E+01 0.316E-01 RMM: 2 -0.336597144114E+03 -0.41127E-01 -0.28919E-01 5500 0.106E+00 0.143E+00 RMM: 3 -0.336580352976E+03 0.16791E-01 -0.19112E-02 5515 0.299E-01 0.280E-01 RMM: 4 -0.336579915857E+03 0.43712E-03 -0.20262E-03 5181 0.972E-02 0.195E-01 RMM: 5 -0.336579747037E+03 0.16882E-03 -0.31102E-04 3919 0.419E-02 0.130E-01 RMM: 6 -0.336579641624E+03 0.10541E-03 -0.84416E-05 3569 0.257E-02 0.472E-02 RMM: 7 -0.336579665963E+03 -0.24339E-04 -0.41459E-05 3034 0.174E-02 0.792E-02 RMM: 8 -0.336579632991E+03 0.32971E-04 -0.45796E-05 2979 0.198E-02 0.281E-02 RMM: 9 -0.336579634519E+03 -0.15278E-05 -0.15774E-05 2485 0.112E-02 5357 T= 6774. E= 0.67555049E+03 F= 0.61968935E+03 E0= 0.64799948E+03 EK= 0.55162E+02 SP= 0.47E+00 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335515204489E+03 0.10644E+01 -0.35745E-01 8640 0.239E+01 0.213E-01 RMM: 2 -0.335546692893E+03 -0.31488E-01 -0.25658E-01 6078 0.990E-01 0.101E+00 RMM: 3 -0.335537775831E+03 0.89171E-02 -0.13124E-02 5581 0.247E-01 0.189E-01 RMM: 4 -0.335537522217E+03 0.25361E-03 -0.10171E-03 4912 0.665E-02 0.115E-01 RMM: 5 -0.335537440376E+03 0.81840E-04 -0.13068E-04 4129 0.284E-02 0.761E-02 RMM: 6 -0.335537415795E+03 0.24581E-04 -0.26564E-05 2601 0.153E-02 0.551E-02 RMM: 7 -0.335537423577E+03 -0.77821E-05 -0.46165E-05 3090 0.194E-02 5358 T= 6603. E= 0.67555230E+03 F= 0.62073157E+03 E0= 0.64902428E+03 EK= 0.53771E+02 SP= 0.81E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334189913162E+03 0.13475E+01 -0.33720E-01 8712 0.236E+01 0.172E-01 RMM: 2 -0.334216268465E+03 -0.26355E-01 -0.23539E-01 6247 0.960E-01 0.738E-01 RMM: 3 -0.334211042152E+03 0.52263E-02 -0.10961E-02 5715 0.217E-01 0.169E-01 RMM: 4 -0.334210812219E+03 0.22993E-03 -0.73466E-04 4881 0.579E-02 0.105E-01 RMM: 5 -0.334210746117E+03 0.66102E-04 -0.94258E-05 3692 0.266E-02 0.674E-02 RMM: 6 -0.334210736300E+03 0.98167E-05 -0.26260E-05 2563 0.154E-02 5359 T= 6398. E= 0.67555730E+03 F= 0.62205825E+03 E0= 0.65033846E+03 EK= 0.52104E+02 SP= 0.12E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332653765972E+03 0.15570E+01 -0.29557E-01 8624 0.232E+01 0.267E-01 RMM: 2 -0.332686409796E+03 -0.32644E-01 -0.21209E-01 6064 0.905E-01 0.137E+00 RMM: 3 -0.332671817982E+03 0.14592E-01 -0.12582E-02 5395 0.259E-01 0.253E-01 RMM: 4 -0.332671407181E+03 0.41080E-03 -0.13023E-03 4969 0.698E-02 0.100E-01 RMM: 5 -0.332671360621E+03 0.46560E-04 -0.13800E-04 4036 0.298E-02 0.852E-02 RMM: 6 -0.332671331720E+03 0.28901E-04 -0.30872E-05 2755 0.162E-02 0.653E-02 RMM: 7 -0.332671359191E+03 -0.27471E-04 -0.44554E-05 3116 0.191E-02 0.910E-02 RMM: 8 -0.332671319472E+03 0.39719E-04 -0.96587E-05 3883 0.222E-02 0.434E-02 RMM: 9 -0.332671310928E+03 0.85444E-05 -0.16903E-05 2544 0.116E-02 5360 T= 6170. E= 0.67556485E+03 F= 0.62359768E+03 E0= 0.65186985E+03 EK= 0.50242E+02 SP= 0.15E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331008360735E+03 0.16630E+01 -0.24595E-01 8784 0.228E+01 0.283E-01 RMM: 2 -0.331037154106E+03 -0.28793E-01 -0.18989E-01 5786 0.863E-01 0.130E+00 RMM: 3 -0.331023855666E+03 0.13298E-01 -0.11549E-02 5423 0.241E-01 0.245E-01 RMM: 4 -0.331023568554E+03 0.28711E-03 -0.14220E-03 4748 0.810E-02 0.162E-01 RMM: 5 -0.331023486555E+03 0.81999E-04 -0.23094E-04 3917 0.364E-02 0.131E-01 RMM: 6 -0.331023378465E+03 0.10809E-03 -0.70929E-05 3448 0.247E-02 0.423E-02 RMM: 7 -0.331023397640E+03 -0.19175E-04 -0.32735E-05 2775 0.170E-02 5361 T= 5931. E= 0.67557448E+03 F= 0.62524559E+03 E0= 0.65351523E+03 EK= 0.48298E+02 SP= 0.18E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329379743546E+03 0.16436E+01 -0.19692E-01 8864 0.224E+01 0.229E-01 RMM: 2 -0.329403695982E+03 -0.23952E-01 -0.16369E-01 5687 0.824E-01 0.114E+00 RMM: 3 -0.329393365765E+03 0.10330E-01 -0.10486E-02 5542 0.219E-01 0.215E-01 RMM: 4 -0.329393035418E+03 0.33035E-03 -0.10128E-03 4846 0.646E-02 0.922E-02 RMM: 5 -0.329392995127E+03 0.40291E-04 -0.12441E-04 4069 0.269E-02 0.807E-02 RMM: 6 -0.329392961497E+03 0.33630E-04 -0.25721E-05 2627 0.153E-02 0.481E-02 RMM: 7 -0.329392976322E+03 -0.14825E-04 -0.38945E-05 2960 0.181E-02 5362 T= 5698. E= 0.67558407E+03 F= 0.62687601E+03 E0= 0.65514872E+03 EK= 0.46402E+02 SP= 0.21E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327901752483E+03 0.14912E+01 -0.15351E-01 8984 0.219E+01 0.188E-01 RMM: 2 -0.327918460979E+03 -0.16708E-01 -0.14141E-01 5381 0.792E-01 0.757E-01 RMM: 3 -0.327913610215E+03 0.48508E-02 -0.10322E-02 6060 0.199E-01 0.153E-01 RMM: 4 -0.327913381360E+03 0.22885E-03 -0.65230E-04 4768 0.553E-02 0.113E-01 RMM: 5 -0.327913297318E+03 0.84042E-04 -0.95816E-05 3655 0.247E-02 0.707E-02 RMM: 6 -0.327913273952E+03 0.23366E-04 -0.25299E-05 2614 0.155E-02 0.459E-02 RMM: 7 -0.327913278384E+03 -0.44316E-05 -0.28403E-05 2594 0.159E-02 5363 T= 5488. E= 0.67559307E+03 F= 0.62835571E+03 E0= 0.65663689E+03 EK= 0.44694E+02 SP= 0.24E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326702238844E+03 0.12110E+01 -0.12690E-01 8904 0.216E+01 0.195E-01 RMM: 2 -0.326718364403E+03 -0.16126E-01 -0.12325E-01 5233 0.763E-01 0.870E-01 RMM: 3 -0.326712576832E+03 0.57876E-02 -0.10494E-02 5904 0.205E-01 0.174E-01 RMM: 4 -0.326712301637E+03 0.27519E-03 -0.70363E-04 4802 0.574E-02 0.101E-01 RMM: 5 -0.326712243406E+03 0.58231E-04 -0.10187E-04 3727 0.251E-02 0.744E-02 RMM: 6 -0.326712215050E+03 0.28356E-04 -0.27228E-05 2728 0.161E-02 0.433E-02 RMM: 7 -0.326712223236E+03 -0.81858E-05 -0.27381E-05 2591 0.154E-02 5364 T= 5318. E= 0.67560092E+03 F= 0.62955677E+03 E0= 0.65785099E+03 EK= 0.43303E+02 SP= 0.26E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325887332832E+03 0.82488E+00 -0.11187E-01 8256 0.213E+01 0.189E-01 RMM: 2 -0.325902230299E+03 -0.14897E-01 -0.12050E-01 5039 0.783E-01 0.790E-01 RMM: 3 -0.325897532792E+03 0.46975E-02 -0.12087E-02 6005 0.210E-01 0.153E-01 RMM: 4 -0.325897245267E+03 0.28753E-03 -0.66799E-04 4834 0.571E-02 0.106E-01 RMM: 5 -0.325897173702E+03 0.71565E-04 -0.97958E-05 3728 0.252E-02 0.714E-02 RMM: 6 -0.325897147705E+03 0.25997E-04 -0.26314E-05 2632 0.159E-02 0.400E-02 RMM: 7 -0.325897150243E+03 -0.25378E-05 -0.21301E-05 2559 0.135E-02 5365 T= 5199. E= 0.67560699E+03 F= 0.63037184E+03 E0= 0.65868375E+03 EK= 0.42338E+02 SP= 0.28E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325539197951E+03 0.35795E+00 -0.98771E-02 7968 0.212E+01 0.172E-01 RMM: 2 -0.325551818886E+03 -0.12621E-01 -0.98707E-02 5075 0.710E-01 0.768E-01 RMM: 3 -0.325547605404E+03 0.42135E-02 -0.99890E-03 5940 0.189E-01 0.150E-01 RMM: 4 -0.325547340355E+03 0.26505E-03 -0.54915E-04 4654 0.523E-02 0.902E-02 RMM: 5 -0.325547288601E+03 0.51754E-04 -0.77100E-05 3581 0.231E-02 0.670E-02 RMM: 6 -0.325547267861E+03 0.20739E-04 -0.22575E-05 2561 0.146E-02 0.419E-02 RMM: 7 -0.325547266166E+03 0.16953E-05 -0.25464E-05 2606 0.146E-02 5366 T= 5143. E= 0.67560988E+03 F= 0.63072172E+03 E0= 0.65905324E+03 EK= 0.41878E+02 SP= 0.30E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325695393772E+03 -0.14813E+00 -0.94507E-02 7912 0.212E+01 0.168E-01 RMM: 2 -0.325706349822E+03 -0.10956E-01 -0.85532E-02 5106 0.670E-01 0.732E-01 RMM: 3 -0.325702456520E+03 0.38933E-02 -0.86854E-03 5904 0.178E-01 0.152E-01 RMM: 4 -0.325702214583E+03 0.24194E-03 -0.51913E-04 4576 0.510E-02 0.887E-02 RMM: 5 -0.325702161290E+03 0.53293E-04 -0.76509E-05 3531 0.229E-02 0.655E-02 RMM: 6 -0.325702139171E+03 0.22119E-04 -0.22192E-05 2559 0.148E-02 0.358E-02 RMM: 7 -0.325702138354E+03 0.81689E-06 -0.15780E-05 2503 0.117E-02 5367 T= 5153. E= 0.67560980E+03 F= 0.63056685E+03 E0= 0.65891965E+03 EK= 0.41961E+02 SP= 0.31E+01 SK= 0.84E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326350780353E+03 -0.64864E+00 -0.95720E-02 7728 0.213E+01 0.151E-01 RMM: 2 -0.326360651634E+03 -0.98713E-02 -0.84202E-02 4996 0.678E-01 0.620E-01 RMM: 3 -0.326357956086E+03 0.26955E-02 -0.92073E-03 5968 0.177E-01 0.117E-01 RMM: 4 -0.326357748990E+03 0.20710E-03 -0.43986E-04 4535 0.481E-02 0.937E-02 RMM: 5 -0.326357689575E+03 0.59414E-04 -0.66013E-05 3423 0.234E-02 0.580E-02 RMM: 6 -0.326357674680E+03 0.14896E-04 -0.20260E-05 2518 0.135E-02 5368 T= 5229. E= 0.67560604E+03 F= 0.62991131E+03 E0= 0.65828391E+03 EK= 0.42582E+02 SP= 0.31E+01 SK= 0.42E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327455340096E+03 -0.10977E+01 -0.99357E-02 7960 0.216E+01 0.183E-01 RMM: 2 -0.327467582893E+03 -0.12243E-01 -0.77769E-02 5058 0.660E-01 0.923E-01 RMM: 3 -0.327461803150E+03 0.57797E-02 -0.84956E-03 5616 0.191E-01 0.188E-01 RMM: 4 -0.327461502290E+03 0.30086E-03 -0.62305E-04 4730 0.528E-02 0.691E-02 RMM: 5 -0.327461467228E+03 0.35062E-04 -0.77784E-05 3612 0.234E-02 0.597E-02 RMM: 6 -0.327461450572E+03 0.16657E-04 -0.19844E-05 2528 0.135E-02 5369 T= 5365. E= 0.67559901E+03 F= 0.62880754E+03 E0= 0.65719799E+03 EK= 0.43687E+02 SP= 0.31E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328909810513E+03 -0.14483E+01 -0.10061E-01 7816 0.221E+01 0.229E-01 RMM: 2 -0.328927276246E+03 -0.17466E-01 -0.75311E-02 5084 0.666E-01 0.127E+00 RMM: 3 -0.328915895922E+03 0.11380E-01 -0.91680E-03 5429 0.216E-01 0.238E-01 RMM: 4 -0.328915470166E+03 0.42576E-03 -0.94876E-04 4651 0.654E-02 0.736E-02 RMM: 5 -0.328915427439E+03 0.42727E-04 -0.11284E-04 4007 0.257E-02 0.659E-02 RMM: 6 -0.328915407000E+03 0.20439E-04 -0.21357E-05 2540 0.142E-02 0.472E-02 RMM: 7 -0.328915405066E+03 0.19336E-05 -0.27144E-05 2571 0.158E-02 5370 T= 5548. E= 0.67558903E+03 F= 0.62735358E+03 E0= 0.65575892E+03 EK= 0.45176E+02 SP= 0.30E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330579663648E+03 -0.16643E+01 -0.10279E-01 7888 0.226E+01 0.222E-01 RMM: 2 -0.330594659635E+03 -0.14996E-01 -0.83201E-02 4948 0.706E-01 0.109E+00 RMM: 3 -0.330586415856E+03 0.82438E-02 -0.97758E-03 5515 0.214E-01 0.231E-01 RMM: 4 -0.330586034448E+03 0.38141E-03 -0.97862E-04 4669 0.700E-02 0.985E-02 RMM: 5 -0.330585979477E+03 0.54970E-04 -0.15130E-04 3866 0.323E-02 0.720E-02 RMM: 6 -0.330585949138E+03 0.30339E-04 -0.29018E-05 2743 0.166E-02 0.318E-02 RMM: 7 -0.330585949659E+03 -0.52071E-06 -0.15685E-05 2492 0.124E-02 5371 T= 5761. E= 0.67557758E+03 F= 0.62568304E+03 E0= 0.65410080E+03 EK= 0.46913E+02 SP= 0.30E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332309641360E+03 -0.17237E+01 -0.11034E-01 7824 0.232E+01 0.170E-01 RMM: 2 -0.332321207991E+03 -0.11567E-01 -0.88875E-02 4969 0.714E-01 0.766E-01 RMM: 3 -0.332317247119E+03 0.39609E-02 -0.98874E-03 5840 0.191E-01 0.143E-01 RMM: 4 -0.332317028680E+03 0.21844E-03 -0.53632E-04 4613 0.534E-02 0.112E-01 RMM: 5 -0.332316931964E+03 0.96716E-04 -0.97520E-05 3692 0.281E-02 0.600E-02 RMM: 6 -0.332316914451E+03 0.17513E-04 -0.24692E-05 2558 0.145E-02 5372 T= 5985. E= 0.67556602E+03 F= 0.62395207E+03 E0= 0.65237866E+03 EK= 0.48739E+02 SP= 0.28E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333940244952E+03 -0.16233E+01 -0.11034E-01 7584 0.237E+01 0.167E-01 RMM: 2 -0.333951569038E+03 -0.11324E-01 -0.82846E-02 4946 0.693E-01 0.776E-01 RMM: 3 -0.333947358056E+03 0.42110E-02 -0.94371E-03 5750 0.193E-01 0.146E-01 RMM: 4 -0.333947131060E+03 0.22700E-03 -0.52776E-04 4677 0.498E-02 0.829E-02 RMM: 5 -0.333947077574E+03 0.53486E-04 -0.73557E-05 3543 0.252E-02 0.568E-02 RMM: 6 -0.333947067238E+03 0.10336E-04 -0.21181E-05 2531 0.133E-02 5373 T= 6200. E= 0.67555547E+03 F= 0.62232192E+03 E0= 0.65075736E+03 EK= 0.50488E+02 SP= 0.27E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335321279270E+03 -0.13742E+01 -0.11616E-01 7448 0.242E+01 0.274E-01 RMM: 2 -0.335343676792E+03 -0.22398E-01 -0.98365E-02 4966 0.778E-01 0.146E+00 RMM: 3 -0.335329078315E+03 0.14598E-01 -0.12847E-02 5418 0.258E-01 0.240E-01 RMM: 4 -0.335328668447E+03 0.40987E-03 -0.12857E-03 4735 0.743E-02 0.108E-01 RMM: 5 -0.335328608889E+03 0.59558E-04 -0.16729E-04 3874 0.337E-02 0.864E-02 RMM: 6 -0.335328561517E+03 0.47372E-04 -0.35577E-05 2844 0.181E-02 0.427E-02 RMM: 7 -0.335328558302E+03 0.32149E-05 -0.19308E-05 2500 0.140E-02 5374 T= 6386. E= 0.67554677E+03 F= 0.62094043E+03 E0= 0.64938432E+03 EK= 0.52005E+02 SP= 0.26E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336331745089E+03 -0.10032E+01 -0.11822E-01 7448 0.245E+01 0.228E-01 RMM: 2 -0.336348813279E+03 -0.17068E-01 -0.10101E-01 4918 0.769E-01 0.112E+00 RMM: 3 -0.336340355303E+03 0.84580E-02 -0.12502E-02 5564 0.230E-01 0.233E-01 RMM: 4 -0.336339941737E+03 0.41357E-03 -0.10621E-03 4728 0.713E-02 0.107E-01 RMM: 5 -0.336339878024E+03 0.63714E-04 -0.15939E-04 3869 0.332E-02 0.804E-02 RMM: 6 -0.336339837062E+03 0.40962E-04 -0.31945E-05 2789 0.171E-02 0.353E-02 RMM: 7 -0.336339835555E+03 0.15071E-05 -0.19764E-05 2509 0.137E-02 5375 T= 6528. E= 0.67554096E+03 F= 0.61992915E+03 E0= 0.64838140E+03 EK= 0.53163E+02 SP= 0.24E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336891023104E+03 -0.55119E+00 -0.12384E-01 7528 0.248E+01 0.169E-01 RMM: 2 -0.336904191904E+03 -0.13169E-01 -0.10193E-01 4835 0.766E-01 0.780E-01 RMM: 3 -0.336899895313E+03 0.42966E-02 -0.11970E-02 5850 0.205E-01 0.130E-01 RMM: 4 -0.336899671512E+03 0.22380E-03 -0.58867E-04 4700 0.558E-02 0.113E-01 RMM: 5 -0.336899581973E+03 0.89539E-04 -0.96223E-05 3649 0.286E-02 0.524E-02 RMM: 6 -0.336899570507E+03 0.11466E-04 -0.25071E-05 2551 0.146E-02 5376 T= 6616. E= 0.67553874E+03 F= 0.61936942E+03 E0= 0.64782893E+03 EK= 0.53875E+02 SP= 0.22E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336964175929E+03 -0.64594E-01 -0.12177E-01 7480 0.249E+01 0.157E-01 RMM: 2 -0.336976170174E+03 -0.11994E-01 -0.91028E-02 4831 0.722E-01 0.767E-01 RMM: 3 -0.336972138455E+03 0.40317E-02 -0.10846E-02 5812 0.198E-01 0.134E-01 RMM: 4 -0.336971917405E+03 0.22105E-03 -0.54092E-04 4655 0.529E-02 0.864E-02 RMM: 5 -0.336971862742E+03 0.54663E-04 -0.74917E-05 3542 0.250E-02 0.556E-02 RMM: 6 -0.336971849882E+03 0.12860E-04 -0.21390E-05 2529 0.137E-02 5377 T= 6643. E= 0.67553969E+03 F= 0.61929714E+03 E0= 0.64776254E+03 EK= 0.54099E+02 SP= 0.21E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336555485087E+03 0.41638E+00 -0.12170E-01 7336 0.248E+01 0.255E-01 RMM: 2 -0.336576953360E+03 -0.21468E-01 -0.99124E-02 4775 0.776E-01 0.139E+00 RMM: 3 -0.336563618430E+03 0.13335E-01 -0.13448E-02 5443 0.257E-01 0.221E-01 RMM: 4 -0.336563248224E+03 0.37021E-03 -0.12108E-03 4764 0.706E-02 0.818E-02 RMM: 5 -0.336563219871E+03 0.28353E-04 -0.14063E-04 3998 0.294E-02 0.755E-02 RMM: 6 -0.336563183145E+03 0.36726E-04 -0.26810E-05 2590 0.154E-02 0.390E-02 RMM: 7 -0.336563185486E+03 -0.23416E-05 -0.21538E-05 2510 0.149E-02 5378 T= 6611. E= 0.67554344E+03 F= 0.61970580E+03 E0= 0.64817337E+03 EK= 0.53840E+02 SP= 0.20E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335711754097E+03 0.85143E+00 -0.12433E-01 7280 0.247E+01 0.203E-01 RMM: 2 -0.335727022392E+03 -0.15268E-01 -0.10478E-01 4725 0.778E-01 0.944E-01 RMM: 3 -0.335720784239E+03 0.62382E-02 -0.13106E-02 5609 0.229E-01 0.203E-01 RMM: 4 -0.335720441855E+03 0.34238E-03 -0.95916E-04 4699 0.683E-02 0.106E-01 RMM: 5 -0.335720411330E+03 0.30526E-04 -0.14092E-04 3798 0.311E-02 0.888E-02 RMM: 6 -0.335720358175E+03 0.53154E-04 -0.32845E-05 2859 0.174E-02 0.272E-02 RMM: 7 -0.335720359656E+03 -0.14807E-05 -0.14713E-05 2485 0.123E-02 5379 T= 6526. E= 0.67554981E+03 F= 0.62054863E+03 E0= 0.64901391E+03 EK= 0.53143E+02 SP= 0.18E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334512765271E+03 0.12076E+01 -0.13017E-01 7408 0.244E+01 0.177E-01 RMM: 2 -0.334528859564E+03 -0.16094E-01 -0.12358E-01 4743 0.828E-01 0.855E-01 RMM: 3 -0.334523556935E+03 0.53026E-02 -0.14674E-02 5852 0.221E-01 0.142E-01 RMM: 4 -0.334523244373E+03 0.31256E-03 -0.72187E-04 4833 0.608E-02 0.910E-02 RMM: 5 -0.334523191260E+03 0.53113E-04 -0.98152E-05 3787 0.270E-02 0.590E-02 RMM: 6 -0.334523172351E+03 0.18909E-04 -0.24863E-05 2549 0.148E-02 5380 T= 6397. E= 0.67555809E+03 F= 0.62174582E+03 E0= 0.65020387E+03 EK= 0.52091E+02 SP= 0.17E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333061155816E+03 0.14620E+01 -0.13525E-01 7416 0.241E+01 0.161E-01 RMM: 2 -0.333078110240E+03 -0.16954E-01 -0.13033E-01 4747 0.852E-01 0.849E-01 RMM: 3 -0.333072758311E+03 0.53519E-02 -0.15209E-02 5867 0.225E-01 0.141E-01 RMM: 4 -0.333072423934E+03 0.33438E-03 -0.69484E-04 4923 0.590E-02 0.693E-02 RMM: 5 -0.333072389966E+03 0.33968E-04 -0.81573E-05 3568 0.252E-02 0.583E-02 RMM: 6 -0.333072378518E+03 0.11448E-04 -0.22822E-05 2527 0.147E-02 5381 T= 6236. E= 0.67556671E+03 F= 0.62319661E+03 E0= 0.65164379E+03 EK= 0.50786E+02 SP= 0.15E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331468604462E+03 0.16038E+01 -0.11601E-01 7248 0.238E+01 0.309E-01 RMM: 2 -0.331498647353E+03 -0.30043E-01 -0.10656E-01 4731 0.806E-01 0.176E+00 RMM: 3 -0.331477080648E+03 0.21567E-01 -0.15883E-02 5377 0.295E-01 0.289E-01 RMM: 4 -0.331476481173E+03 0.59947E-03 -0.16476E-03 4871 0.805E-02 0.768E-02 RMM: 5 -0.331476488793E+03 -0.76201E-05 -0.18559E-04 3912 0.323E-02 5382 T= 6059. E= 0.67557618E+03 F= 0.62479250E+03 E0= 0.65322697E+03 EK= 0.49342E+02 SP= 0.14E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329836353279E+03 0.16401E+01 -0.10918E-01 7584 0.234E+01 0.225E-01 RMM: 2 -0.329857802729E+03 -0.21449E-01 -0.88286E-02 4882 0.699E-01 0.139E+00 RMM: 3 -0.329843845280E+03 0.13957E-01 -0.11546E-02 5395 0.242E-01 0.235E-01 RMM: 4 -0.329843461972E+03 0.38331E-03 -0.11062E-03 4772 0.669E-02 0.904E-02 RMM: 5 -0.329843421225E+03 0.40747E-04 -0.13058E-04 3896 0.302E-02 0.726E-02 RMM: 6 -0.329843388607E+03 0.32618E-04 -0.28530E-05 2649 0.157E-02 0.445E-02 RMM: 7 -0.329843394801E+03 -0.61943E-05 -0.23784E-05 2556 0.149E-02 5383 T= 5879. E= 0.67558518E+03 F= 0.62642559E+03 E0= 0.65484746E+03 EK= 0.47873E+02 SP= 0.12E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328268428266E+03 0.15750E+01 -0.11003E-01 7640 0.230E+01 0.227E-01 RMM: 2 -0.328283917493E+03 -0.15489E-01 -0.95000E-02 4709 0.759E-01 0.105E+00 RMM: 3 -0.328276189697E+03 0.77278E-02 -0.11687E-02 5508 0.229E-01 0.174E-01 RMM: 4 -0.328276015439E+03 0.17426E-03 -0.93713E-04 4752 0.637E-02 0.124E-01 RMM: 5 -0.328275967343E+03 0.48096E-04 -0.15213E-04 3839 0.321E-02 0.969E-02 RMM: 6 -0.328275904497E+03 0.62846E-04 -0.48113E-05 3193 0.203E-02 0.183E-02 RMM: 7 -0.328275910508E+03 -0.60104E-05 -0.12537E-05 2491 0.116E-02 5384 T= 5708. E= 0.67559199E+03 F= 0.62799308E+03 E0= 0.65640678E+03 EK= 0.46483E+02 SP= 0.10E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326857042492E+03 0.14189E+01 -0.99302E-02 7552 0.227E+01 0.138E-01 RMM: 2 -0.326866340545E+03 -0.92981E-02 -0.80338E-02 4935 0.677E-01 0.573E-01 RMM: 3 -0.326864014118E+03 0.23264E-02 -0.89857E-03 5915 0.175E-01 0.117E-01 RMM: 4 -0.326863822837E+03 0.19128E-03 -0.39321E-04 4518 0.468E-02 0.901E-02 RMM: 5 -0.326863750839E+03 0.71998E-04 -0.62286E-05 3340 0.233E-02 0.488E-02 RMM: 6 -0.326863741606E+03 0.92330E-05 -0.19630E-05 2517 0.126E-02 5385 T= 5559. E= 0.67559795E+03 F= 0.62940525E+03 E0= 0.65781834E+03 EK= 0.45269E+02 SP= 0.81E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325677757761E+03 0.11860E+01 -0.93937E-02 7440 0.224E+01 0.169E-01 RMM: 2 -0.325689588475E+03 -0.11831E-01 -0.77737E-02 4867 0.666E-01 0.865E-01 RMM: 3 -0.325684459171E+03 0.51293E-02 -0.92114E-03 5661 0.189E-01 0.169E-01 RMM: 4 -0.325684196024E+03 0.26315E-03 -0.57842E-04 4650 0.521E-02 0.656E-02 RMM: 5 -0.325684174245E+03 0.21779E-04 -0.75629E-05 3594 0.226E-02 0.614E-02 RMM: 6 -0.325684155609E+03 0.18636E-04 -0.21999E-05 2542 0.142E-02 5386 T= 5442. E= 0.67560312E+03 F= 0.63058483E+03 E0= 0.65900568E+03 EK= 0.44313E+02 SP= 0.55E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324795854561E+03 0.88832E+00 -0.89659E-02 7280 0.222E+01 0.304E-01 RMM: 2 -0.324819548974E+03 -0.23694E-01 -0.83986E-02 4959 0.717E-01 0.160E+00 RMM: 3 -0.324802203764E+03 0.17345E-01 -0.12713E-02 5364 0.267E-01 0.292E-01 RMM: 4 -0.324801590717E+03 0.61305E-03 -0.14049E-03 4682 0.769E-02 0.751E-02 RMM: 5 -0.324801581380E+03 0.93369E-05 -0.16813E-04 4001 0.294E-02 5387 T= 5364. E= 0.67560808E+03 F= 0.63146741E+03 E0= 0.65990611E+03 EK= 0.43684E+02 SP= 0.25E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324257869845E+03 0.54372E+00 -0.89515E-02 7536 0.221E+01 0.199E-01 RMM: 2 -0.324273388141E+03 -0.15518E-01 -0.75178E-02 5049 0.650E-01 0.114E+00 RMM: 3 -0.324264212185E+03 0.91760E-02 -0.89669E-03 5449 0.204E-01 0.191E-01 RMM: 4 -0.324263931469E+03 0.28072E-03 -0.80628E-04 4668 0.589E-02 0.744E-02 RMM: 5 -0.324263902867E+03 0.28601E-04 -0.95997E-05 3819 0.243E-02 0.648E-02 RMM: 6 -0.324263878530E+03 0.24337E-04 -0.20093E-05 2549 0.132E-02 0.402E-02 RMM: 7 -0.324263886254E+03 -0.77242E-05 -0.23412E-05 2575 0.145E-02 5388 T= 5333. E= 0.67561153E+03 F= 0.63200510E+03 E0= 0.66047150E+03 EK= 0.43431E+02 SP= -.92E-01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324094814715E+03 0.16906E+00 -0.90348E-02 7248 0.221E+01 0.222E-01 RMM: 2 -0.324106641881E+03 -0.11827E-01 -0.80188E-02 4909 0.688E-01 0.903E-01 RMM: 3 -0.324101179654E+03 0.54622E-02 -0.94647E-03 5545 0.199E-01 0.172E-01 RMM: 4 -0.324101023644E+03 0.15601E-03 -0.79736E-04 4683 0.605E-02 0.136E-01 RMM: 5 -0.324100945134E+03 0.78510E-04 -0.13339E-04 3786 0.284E-02 0.901E-02 RMM: 6 -0.324100890747E+03 0.54386E-04 -0.37776E-05 3026 0.189E-02 0.195E-02 RMM: 7 -0.324100895434E+03 -0.46865E-05 -0.12459E-05 2486 0.109E-02 5389 T= 5352. E= 0.67561234E+03 F= 0.63216809E+03 E0= 0.66067038E+03 EK= 0.43587E+02 SP= -.48E+00 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324312195590E+03 -0.21130E+00 -0.91153E-02 7544 0.222E+01 0.149E-01 RMM: 2 -0.324322137441E+03 -0.99419E-02 -0.79375E-02 4984 0.677E-01 0.676E-01 RMM: 3 -0.324319187562E+03 0.29499E-02 -0.91674E-03 5889 0.174E-01 0.123E-01 RMM: 4 -0.324318979721E+03 0.20784E-03 -0.43442E-04 4499 0.480E-02 0.902E-02 RMM: 5 -0.324318909851E+03 0.69870E-04 -0.67016E-05 3452 0.230E-02 0.504E-02 RMM: 6 -0.324318897778E+03 0.12074E-04 -0.19996E-05 2522 0.130E-02 5390 T= 5423. E= 0.67561141E+03 F= 0.63195009E+03 E0= 0.66049419E+03 EK= 0.44161E+02 SP= -.91E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324891451519E+03 -0.57254E+00 -0.96598E-02 7472 0.223E+01 0.159E-01 RMM: 2 -0.324903312133E+03 -0.11861E-01 -0.83281E-02 4904 0.693E-01 0.815E-01 RMM: 3 -0.324898780675E+03 0.45315E-02 -0.97861E-03 5693 0.189E-01 0.163E-01 RMM: 4 -0.324898503410E+03 0.27727E-03 -0.55919E-04 4679 0.506E-02 0.639E-02 RMM: 5 -0.324898474647E+03 0.28763E-04 -0.72101E-05 3431 0.229E-02 0.585E-02 RMM: 6 -0.324898457103E+03 0.17544E-04 -0.22883E-05 2533 0.145E-02 5391 T= 5543. E= 0.67560867E+03 F= 0.63137053E+03 E0= 0.65995912E+03 EK= 0.45137E+02 SP= -.14E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325790003241E+03 -0.89153E+00 -0.97109E-02 7288 0.226E+01 0.332E-01 RMM: 2 -0.325820692231E+03 -0.30689E-01 -0.91797E-02 5018 0.762E-01 0.189E+00 RMM: 3 -0.325796720929E+03 0.23971E-01 -0.14140E-02 5341 0.288E-01 0.293E-01 RMM: 4 -0.325796106347E+03 0.61458E-03 -0.15977E-03 4768 0.799E-02 0.835E-02 RMM: 5 -0.325796096799E+03 0.95481E-05 -0.18492E-04 3894 0.318E-02 5392 T= 5707. E= 0.67560523E+03 F= 0.63047289E+03 E0= 0.65910515E+03 EK= 0.46471E+02 SP= -.19E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326940220335E+03 -0.11441E+01 -0.10339E-01 7304 0.229E+01 0.185E-01 RMM: 2 -0.326957618134E+03 -0.17398E-01 -0.92156E-02 4927 0.714E-01 0.114E+00 RMM: 3 -0.326948354703E+03 0.92634E-02 -0.11008E-02 5465 0.219E-01 0.194E-01 RMM: 4 -0.326948066398E+03 0.28831E-03 -0.90022E-04 4722 0.616E-02 0.926E-02 RMM: 5 -0.326948019675E+03 0.46723E-04 -0.12042E-04 3840 0.289E-02 0.679E-02 RMM: 6 -0.326947990688E+03 0.28987E-04 -0.24994E-05 2562 0.145E-02 0.424E-02 RMM: 7 -0.326947990760E+03 -0.72985E-07 -0.20504E-05 2524 0.136E-02 5393 T= 5907. E= 0.67560026E+03 F= 0.62932100E+03 E0= 0.65799373E+03 EK= 0.48100E+02 SP= -.24E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328267344621E+03 -0.13194E+01 -0.10785E-01 7384 0.233E+01 0.224E-01 RMM: 2 -0.328281784391E+03 -0.14440E-01 -0.88166E-02 4844 0.735E-01 0.105E+00 RMM: 3 -0.328274506081E+03 0.72783E-02 -0.10630E-02 5505 0.216E-01 0.182E-01 RMM: 4 -0.328274314088E+03 0.19199E-03 -0.87160E-04 4702 0.633E-02 0.122E-01 RMM: 5 -0.328274243137E+03 0.70950E-04 -0.14621E-04 3830 0.309E-02 0.864E-02 RMM: 6 -0.328274196927E+03 0.46211E-04 -0.40574E-05 3061 0.190E-02 0.236E-02 RMM: 7 -0.328274201855E+03 -0.49278E-05 -0.13719E-05 2499 0.118E-02 5394 T= 6133. E= 0.67559454E+03 F= 0.62799479E+03 E0= 0.65670103E+03 EK= 0.49941E+02 SP= -.30E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329677929604E+03 -0.14037E+01 -0.11029E-01 7496 0.237E+01 0.159E-01 RMM: 2 -0.329691091805E+03 -0.13162E-01 -0.11284E-01 4879 0.802E-01 0.693E-01 RMM: 3 -0.329687976228E+03 0.31156E-02 -0.12999E-02 5970 0.197E-01 0.123E-01 RMM: 4 -0.329687735456E+03 0.24077E-03 -0.66767E-04 4645 0.640E-02 0.121E-01 RMM: 5 -0.329687621672E+03 0.11378E-03 -0.11220E-04 3730 0.295E-02 0.500E-02 RMM: 6 -0.329687610068E+03 0.11604E-04 -0.23156E-05 2538 0.134E-02 5395 T= 6374. E= 0.67558861E+03 F= 0.62658138E+03 E0= 0.65531107E+03 EK= 0.51902E+02 SP= -.36E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331084738912E+03 -0.13971E+01 -0.12400E-01 7352 0.241E+01 0.147E-01 RMM: 2 -0.331101871854E+03 -0.17133E-01 -0.14177E-01 4718 0.888E-01 0.760E-01 RMM: 3 -0.331097637532E+03 0.42343E-02 -0.17024E-02 6098 0.222E-01 0.145E-01 RMM: 4 -0.331097207203E+03 0.43033E-03 -0.67180E-04 4844 0.619E-02 0.726E-02 RMM: 5 -0.331097166393E+03 0.40810E-04 -0.91172E-05 3706 0.276E-02 0.550E-02 RMM: 6 -0.331097155435E+03 0.10959E-04 -0.23150E-05 2520 0.143E-02 5396 T= 6617. E= 0.67558258E+03 F= 0.62517183E+03 E0= 0.65391485E+03 EK= 0.53886E+02 SP= -.41E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332406696998E+03 -0.13095E+01 -0.12157E-01 7456 0.245E+01 0.266E-01 RMM: 2 -0.332427760047E+03 -0.21063E-01 -0.97038E-02 4849 0.781E-01 0.141E+00 RMM: 3 -0.332414497404E+03 0.13263E-01 -0.12871E-02 5392 0.257E-01 0.245E-01 RMM: 4 -0.332414090828E+03 0.40658E-03 -0.13075E-03 4823 0.744E-02 0.988E-02 RMM: 5 -0.332414038369E+03 0.52459E-04 -0.17592E-04 3914 0.331E-02 0.824E-02 RMM: 6 -0.332413995662E+03 0.42707E-04 -0.39354E-05 2988 0.189E-02 0.378E-02 RMM: 7 -0.332413995556E+03 0.10657E-06 -0.18219E-05 2508 0.135E-02 5397 T= 6851. E= 0.67557704E+03 F= 0.62385499E+03 E0= 0.65260059E+03 EK= 0.55794E+02 SP= -.47E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333545843802E+03 -0.11318E+01 -0.14291E-01 7576 0.248E+01 0.209E-01 RMM: 2 -0.333565839928E+03 -0.19996E-01 -0.13831E-01 4724 0.902E-01 0.104E+00 RMM: 3 -0.333558002765E+03 0.78372E-02 -0.16575E-02 5670 0.251E-01 0.222E-01 RMM: 4 -0.333557539389E+03 0.46338E-03 -0.11483E-03 4835 0.755E-02 0.107E-01 RMM: 5 -0.333557480782E+03 0.58607E-04 -0.17623E-04 3892 0.340E-02 0.792E-02 RMM: 6 -0.333557441478E+03 0.39304E-04 -0.36679E-05 2909 0.176E-02 0.334E-02 RMM: 7 -0.333557441733E+03 -0.25456E-06 -0.18256E-05 2500 0.134E-02 5398 T= 7065. E= 0.67557225E+03 F= 0.62271155E+03 E0= 0.65144896E+03 EK= 0.57535E+02 SP= -.53E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334450801292E+03 -0.89336E+00 -0.12272E-01 7328 0.251E+01 0.163E-01 RMM: 2 -0.334461868169E+03 -0.11067E-01 -0.84741E-02 4985 0.698E-01 0.751E-01 RMM: 3 -0.334458060444E+03 0.38077E-02 -0.94787E-03 5758 0.186E-01 0.145E-01 RMM: 4 -0.334457854737E+03 0.20571E-03 -0.52335E-04 4640 0.522E-02 0.992E-02 RMM: 5 -0.334457786236E+03 0.68501E-04 -0.90645E-05 3628 0.269E-02 0.586E-02 RMM: 6 -0.334457768149E+03 0.18087E-04 -0.23062E-05 2549 0.143E-02 5399 T= 7249. E= 0.67556874E+03 F= 0.62181122E+03 E0= 0.65053222E+03 EK= 0.59028E+02 SP= -.58E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335053356123E+03 -0.59557E+00 -0.12615E-01 7288 0.254E+01 0.174E-01 RMM: 2 -0.335065890613E+03 -0.12534E-01 -0.82476E-02 5029 0.686E-01 0.903E-01 RMM: 3 -0.335060356367E+03 0.55342E-02 -0.93727E-03 5621 0.193E-01 0.151E-01 RMM: 4 -0.335060146166E+03 0.21020E-03 -0.59539E-04 4708 0.517E-02 0.799E-02 RMM: 5 -0.335060100996E+03 0.45169E-04 -0.77889E-05 3631 0.243E-02 0.605E-02 RMM: 6 -0.335060084914E+03 0.16082E-04 -0.19542E-05 2522 0.131E-02 5400 T= 7393. E= 0.67556712E+03 F= 0.62120890E+03 E0= 0.64990732E+03 EK= 0.60205E+02 SP= -.63E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335321150432E+03 -0.26105E+00 -0.13061E-01 7120 0.256E+01 0.268E-01 RMM: 2 -0.335343599729E+03 -0.22449E-01 -0.10181E-01 4941 0.779E-01 0.144E+00 RMM: 3 -0.335329455038E+03 0.14145E-01 -0.13712E-02 5415 0.261E-01 0.261E-01 RMM: 4 -0.335328937282E+03 0.51776E-03 -0.13015E-03 4754 0.731E-02 0.798E-02 RMM: 5 -0.335328915702E+03 0.21580E-04 -0.15900E-04 3971 0.311E-02 0.815E-02 RMM: 6 -0.335328873233E+03 0.42469E-04 -0.29286E-05 2607 0.162E-02 0.433E-02 RMM: 7 -0.335328873635E+03 -0.40117E-06 -0.18806E-05 2508 0.139E-02 5401 T= 7493. E= 0.67556668E+03 F= 0.62094012E+03 E0= 0.64961219E+03 EK= 0.61021E+02 SP= -.68E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335238639956E+03 0.90233E-01 -0.13145E-01 7328 0.257E+01 0.220E-01 RMM: 2 -0.335256565193E+03 -0.17925E-01 -0.10379E-01 4824 0.769E-01 0.113E+00 RMM: 3 -0.335247546079E+03 0.90191E-02 -0.13142E-02 5496 0.240E-01 0.237E-01 RMM: 4 -0.335247151876E+03 0.39420E-03 -0.11141E-03 4702 0.717E-02 0.104E-01 RMM: 5 -0.335247141908E+03 0.99681E-05 -0.16898E-04 3885 0.337E-02 5402 T= 7546. E= 0.67556899E+03 F= 0.62102185E+03 E0= 0.64966514E+03 EK= 0.61451E+02 SP= -.73E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334809070975E+03 0.43808E+00 -0.13333E-01 7584 0.257E+01 0.161E-01 RMM: 2 -0.334824016263E+03 -0.14945E-01 -0.10698E-01 4887 0.767E-01 0.886E-01 RMM: 3 -0.334818513617E+03 0.55026E-02 -0.12487E-02 5741 0.214E-01 0.146E-01 RMM: 4 -0.334818254676E+03 0.25894E-03 -0.61299E-04 4975 0.530E-02 0.774E-02 RMM: 5 -0.334818207698E+03 0.46978E-04 -0.77190E-05 3466 0.258E-02 0.590E-02 RMM: 6 -0.334818197741E+03 0.99575E-05 -0.26564E-05 2576 0.155E-02 5403 T= 7551. E= 0.67557275E+03 F= 0.62145079E+03 E0= 0.65006542E+03 EK= 0.61491E+02 SP= -.77E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334051018173E+03 0.76719E+00 -0.14438E-01 7384 0.257E+01 0.256E-01 RMM: 2 -0.334081171112E+03 -0.30153E-01 -0.15474E-01 4713 0.940E-01 0.154E+00 RMM: 3 -0.334064213828E+03 0.16957E-01 -0.18921E-02 5521 0.284E-01 0.206E-01 RMM: 4 -0.334063809130E+03 0.40470E-03 -0.14624E-03 5052 0.767E-02 0.827E-02 RMM: 5 -0.334063795728E+03 0.13402E-04 -0.17880E-04 4359 0.301E-02 5404 T= 7510. E= 0.67557741E+03 F= 0.62220519E+03 E0= 0.65079218E+03 EK= 0.61159E+02 SP= -.80E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333012216513E+03 0.10516E+01 -0.12907E-01 7584 0.256E+01 0.232E-01 RMM: 2 -0.333036638324E+03 -0.24422E-01 -0.11255E-01 4839 0.802E-01 0.144E+00 RMM: 3 -0.333021737873E+03 0.14900E-01 -0.13943E-02 5445 0.261E-01 0.215E-01 RMM: 4 -0.333021414674E+03 0.32320E-03 -0.11692E-03 4797 0.703E-02 0.881E-02 RMM: 5 -0.333021364316E+03 0.50358E-04 -0.13900E-04 4101 0.304E-02 0.747E-02 RMM: 6 -0.333021332961E+03 0.31355E-04 -0.27825E-05 2575 0.152E-02 0.503E-02 RMM: 7 -0.333021334494E+03 -0.15336E-05 -0.27918E-05 2601 0.162E-02 5405 T= 7428. E= 0.67558305E+03 F= 0.62324765E+03 E0= 0.65180837E+03 EK= 0.60491E+02 SP= -.83E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331733164381E+03 0.12882E+01 -0.13810E-01 7632 0.255E+01 0.190E-01 RMM: 2 -0.331751072836E+03 -0.17908E-01 -0.13866E-01 4693 0.886E-01 0.896E-01 RMM: 3 -0.331745342401E+03 0.57304E-02 -0.16533E-02 5893 0.241E-01 0.161E-01 RMM: 4 -0.331744996135E+03 0.34627E-03 -0.84797E-04 4806 0.671E-02 0.112E-01 RMM: 5 -0.331744941045E+03 0.55090E-04 -0.12774E-04 3825 0.304E-02 0.750E-02 RMM: 6 -0.331744905901E+03 0.35144E-04 -0.30960E-05 2744 0.168E-02 0.233E-02 RMM: 7 -0.331744910576E+03 -0.46750E-05 -0.13089E-05 2486 0.119E-02 5406 T= 7312. E= 0.67558881E+03 F= 0.62452408E+03 E0= 0.65306135E+03 EK= 0.59545E+02 SP= -.86E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330290420211E+03 0.14545E+01 -0.12637E-01 7736 0.252E+01 0.155E-01 RMM: 2 -0.330303392305E+03 -0.12972E-01 -0.11133E-01 4863 0.779E-01 0.665E-01 RMM: 3 -0.330300185086E+03 0.32072E-02 -0.12502E-02 5992 0.209E-01 0.127E-01 RMM: 4 -0.330299946312E+03 0.23877E-03 -0.50998E-04 4652 0.538E-02 0.108E-01 RMM: 5 -0.330299851944E+03 0.94368E-04 -0.81711E-05 3506 0.260E-02 0.574E-02 RMM: 6 -0.330299838993E+03 0.12951E-04 -0.24006E-05 2539 0.142E-02 5407 T= 7170. E= 0.67559617E+03 F= 0.62596915E+03 E0= 0.65448612E+03 EK= 0.58391E+02 SP= -.89E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328754314622E+03 0.15455E+01 -0.12550E-01 7512 0.249E+01 0.189E-01 RMM: 2 -0.328772834671E+03 -0.18520E-01 -0.12355E-01 4781 0.820E-01 0.102E+00 RMM: 3 -0.328765166093E+03 0.76686E-02 -0.14587E-02 5664 0.239E-01 0.177E-01 RMM: 4 -0.328764836682E+03 0.32941E-03 -0.82286E-04 4943 0.609E-02 0.773E-02 RMM: 5 -0.328764798605E+03 0.38077E-04 -0.10299E-04 3984 0.275E-02 0.674E-02 RMM: 6 -0.328764780252E+03 0.18353E-04 -0.24593E-05 2555 0.147E-02 5408 T= 7014. E= 0.67560393E+03 F= 0.62750421E+03 E0= 0.65600474E+03 EK= 0.57114E+02 SP= -.91E+01 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327219277225E+03 0.15455E+01 -0.11991E-01 7544 0.246E+01 0.347E-01 RMM: 2 -0.327253579849E+03 -0.34303E-01 -0.11600E-01 4932 0.828E-01 0.191E+00 RMM: 3 -0.327228242633E+03 0.25337E-01 -0.17416E-02 5386 0.311E-01 0.329E-01 RMM: 4 -0.327227448916E+03 0.79372E-03 -0.18767E-03 4934 0.886E-02 0.882E-02 RMM: 5 -0.327227428475E+03 0.20441E-04 -0.21004E-04 4071 0.323E-02 0.101E-01 RMM: 6 -0.327227364319E+03 0.64156E-04 -0.39472E-05 2980 0.190E-02 0.448E-02 RMM: 7 -0.327227370675E+03 -0.63556E-05 -0.25629E-05 2557 0.153E-02 5409 T= 6853. E= 0.67561188E+03 F= 0.62904162E+03 E0= 0.65752903E+03 EK= 0.55808E+02 SP= -.93E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325772402839E+03 0.14550E+01 -0.12030E-01 7640 0.242E+01 0.288E-01 RMM: 2 -0.325799793593E+03 -0.27391E-01 -0.12664E-01 4831 0.835E-01 0.156E+00 RMM: 3 -0.325782948782E+03 0.16845E-01 -0.16354E-02 5425 0.287E-01 0.312E-01 RMM: 4 -0.325782280134E+03 0.66865E-03 -0.17508E-03 4978 0.880E-02 0.119E-01 RMM: 5 -0.325782294780E+03 -0.14646E-04 -0.25875E-04 3913 0.397E-02 0.132E-01 RMM: 6 -0.325782176094E+03 0.11869E-03 -0.71430E-05 3453 0.242E-02 0.342E-02 RMM: 7 -0.325782176782E+03 -0.68742E-06 -0.18131E-05 2525 0.129E-02 5410 T= 6702. E= 0.67561978E+03 F= 0.63048681E+03 E0= 0.65896477E+03 EK= 0.54575E+02 SP= -.95E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324513542445E+03 0.12686E+01 -0.11520E-01 7664 0.238E+01 0.236E-01 RMM: 2 -0.324535676133E+03 -0.22134E-01 -0.12907E-01 4885 0.839E-01 0.126E+00 RMM: 3 -0.324524577282E+03 0.11099E-01 -0.15438E-02 5587 0.254E-01 0.211E-01 RMM: 4 -0.324524181106E+03 0.39618E-03 -0.10653E-03 4963 0.662E-02 0.840E-02 RMM: 5 -0.324524125391E+03 0.55716E-04 -0.12940E-04 3908 0.296E-02 0.745E-02 RMM: 6 -0.324524093904E+03 0.31486E-04 -0.30108E-05 2671 0.162E-02 0.472E-02 RMM: 7 -0.324524093260E+03 0.64481E-06 -0.29703E-05 2603 0.158E-02 5411 T= 6572. E= 0.67562692E+03 F= 0.63174490E+03 E0= 0.66021745E+03 EK= 0.53517E+02 SP= -.97E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323527996578E+03 0.99610E+00 -0.11654E-01 7784 0.235E+01 0.166E-01 RMM: 2 -0.323543483808E+03 -0.15487E-01 -0.12719E-01 4898 0.816E-01 0.751E-01 RMM: 3 -0.323539161055E+03 0.43228E-02 -0.14199E-02 5995 0.215E-01 0.156E-01 RMM: 4 -0.323538785246E+03 0.37581E-03 -0.63482E-04 4783 0.577E-02 0.811E-02 RMM: 5 -0.323538748840E+03 0.36405E-04 -0.91985E-05 3683 0.268E-02 0.597E-02 RMM: 6 -0.323538731458E+03 0.17382E-04 -0.23088E-05 2556 0.146E-02 5412 T= 6474. E= 0.67563250E+03 F= 0.63273026E+03 E0= 0.66120046E+03 EK= 0.52723E+02 SP= -.99E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322880388945E+03 0.65836E+00 -0.11556E-01 7776 0.232E+01 0.192E-01 RMM: 2 -0.322899332111E+03 -0.18943E-01 -0.13165E-01 4908 0.821E-01 0.102E+00 RMM: 3 -0.322891810932E+03 0.75212E-02 -0.14550E-02 5820 0.228E-01 0.184E-01 RMM: 4 -0.322891407983E+03 0.40295E-03 -0.79844E-04 4822 0.614E-02 0.859E-02 RMM: 5 -0.322891354884E+03 0.53099E-04 -0.10430E-04 3981 0.258E-02 0.646E-02 RMM: 6 -0.322891338011E+03 0.16873E-04 -0.23590E-05 2557 0.144E-02 5413 T= 6418. E= 0.67563555E+03 F= 0.63337765E+03 E0= 0.66184913E+03 EK= 0.52264E+02 SP= -.10E+02 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322606759667E+03 0.28460E+00 -0.10995E-01 7888 0.230E+01 0.294E-01 RMM: 2 -0.322635975640E+03 -0.29216E-01 -0.11041E-01 5044 0.769E-01 0.169E+00 RMM: 3 -0.322615632420E+03 0.20343E-01 -0.14671E-02 5405 0.276E-01 0.298E-01 RMM: 4 -0.322614966429E+03 0.66599E-03 -0.15608E-03 4835 0.796E-02 0.737E-02 RMM: 5 -0.322614946766E+03 0.19664E-04 -0.17667E-04 4493 0.282E-02 5414 T= 6407. E= 0.67563657E+03 F= 0.63365404E+03 E0= 0.66213014E+03 EK= 0.52175E+02 SP= -.10E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322697573431E+03 -0.82607E-01 -0.11154E-01 7992 0.230E+01 0.212E-01 RMM: 2 -0.322718181487E+03 -0.20608E-01 -0.11876E-01 5224 0.750E-01 0.120E+00 RMM: 3 -0.322707561069E+03 0.10620E-01 -0.12223E-02 5523 0.224E-01 0.227E-01 RMM: 4 -0.322707124935E+03 0.43613E-03 -0.10190E-03 4823 0.666E-02 0.852E-02 RMM: 5 -0.322707091390E+03 0.33545E-04 -0.11022E-04 4154 0.237E-02 0.752E-02 RMM: 6 -0.322707073882E+03 0.17509E-04 -0.21396E-05 2557 0.140E-02 5415 T= 6442. E= 0.67563436E+03 F= 0.63356192E+03 E0= 0.66204654E+03 EK= 0.52456E+02 SP= -.10E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323120761270E+03 -0.41367E+00 -0.10725E-01 8032 0.232E+01 0.342E-01 RMM: 2 -0.323151989284E+03 -0.31228E-01 -0.10551E-01 4963 0.750E-01 0.184E+00 RMM: 3 -0.323128780862E+03 0.23208E-01 -0.16598E-02 5384 0.308E-01 0.340E-01 RMM: 4 -0.323127965375E+03 0.81549E-03 -0.18611E-03 4925 0.834E-02 0.916E-02 RMM: 5 -0.323127962712E+03 0.26634E-05 -0.21141E-04 3892 0.363E-02 0.105E-01 RMM: 6 -0.323127892287E+03 0.70424E-04 -0.48412E-05 3166 0.207E-02 0.391E-02 RMM: 7 -0.323127890940E+03 0.13476E-05 -0.15281E-05 2507 0.126E-02 5416 T= 6516. E= 0.67562895E+03 F= 0.63314110E+03 E0= 0.66163858E+03 EK= 0.53066E+02 SP= -.11E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323797342963E+03 -0.66945E+00 -0.10924E-01 8016 0.234E+01 0.324E-01 RMM: 2 -0.323829224053E+03 -0.31881E-01 -0.11573E-01 4992 0.775E-01 0.182E+00 RMM: 3 -0.323806441921E+03 0.22782E-01 -0.16528E-02 5385 0.303E-01 0.324E-01 RMM: 4 -0.323805707789E+03 0.73413E-03 -0.18458E-03 4956 0.831E-02 0.106E-01 RMM: 5 -0.323805668364E+03 0.39424E-04 -0.22445E-04 3890 0.387E-02 0.986E-02 RMM: 6 -0.323805599842E+03 0.68522E-04 -0.57631E-05 3286 0.223E-02 0.357E-02 RMM: 7 -0.323805601918E+03 -0.20755E-05 -0.18179E-05 2531 0.132E-02 5417 T= 6623. E= 0.67562261E+03 F= 0.63246339E+03 E0= 0.66097774E+03 EK= 0.53935E+02 SP= -.11E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324639807856E+03 -0.83421E+00 -0.11669E-01 8240 0.238E+01 0.234E-01 RMM: 2 -0.324661337289E+03 -0.21529E-01 -0.11683E-01 4974 0.772E-01 0.130E+00 RMM: 3 -0.324649364098E+03 0.11973E-01 -0.13499E-02 5547 0.247E-01 0.198E-01 RMM: 4 -0.324649036331E+03 0.32777E-03 -0.11472E-03 5271 0.632E-02 0.852E-02 RMM: 5 -0.324648984638E+03 0.51693E-04 -0.11092E-04 3738 0.290E-02 0.684E-02 RMM: 6 -0.324648956914E+03 0.27724E-04 -0.26163E-05 2597 0.153E-02 0.421E-02 RMM: 7 -0.324648959649E+03 -0.27342E-05 -0.17787E-05 2525 0.130E-02 5418 T= 6750. E= 0.67561505E+03 F= 0.63162003E+03 E0= 0.66015549E+03 EK= 0.54966E+02 SP= -.11E+02 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325546705227E+03 -0.89775E+00 -0.12183E-01 8040 0.241E+01 0.165E-01 RMM: 2 -0.325560917607E+03 -0.14212E-01 -0.12051E-01 4957 0.781E-01 0.698E-01 RMM: 3 -0.325556976557E+03 0.39411E-02 -0.12823E-02 6016 0.210E-01 0.148E-01 RMM: 4 -0.325556666408E+03 0.31015E-03 -0.60626E-04 4807 0.548E-02 0.961E-02 RMM: 5 -0.325556604767E+03 0.61641E-04 -0.85157E-05 3585 0.268E-02 0.596E-02 RMM: 6 -0.325556588181E+03 0.16585E-04 -0.23119E-05 2550 0.143E-02 5419 T= 6884. E= 0.67560809E+03 F= 0.63071240E+03 E0= 0.65927261E+03 EK= 0.56056E+02 SP= -.11E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326426781476E+03 -0.87018E+00 -0.12075E-01 7936 0.245E+01 0.169E-01 RMM: 2 -0.326441630722E+03 -0.14849E-01 -0.11150E-01 5123 0.740E-01 0.842E-01 RMM: 3 -0.326436215235E+03 0.54155E-02 -0.11034E-02 5870 0.200E-01 0.154E-01 RMM: 4 -0.326435933136E+03 0.28210E-03 -0.58610E-04 4732 0.522E-02 0.947E-02 RMM: 5 -0.326435872853E+03 0.60283E-04 -0.69018E-05 3508 0.231E-02 0.660E-02 RMM: 6 -0.326435861175E+03 0.11678E-04 -0.20985E-05 2525 0.136E-02 5420 T= 7013. E= 0.67560192E+03 F= 0.62983313E+03 E0= 0.65842144E+03 EK= 0.57106E+02 SP= -.11E+02 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327205532734E+03 -0.76966E+00 -0.12000E-01 7912 0.249E+01 0.333E-01 RMM: 2 -0.327237084464E+03 -0.31552E-01 -0.10711E-01 5159 0.780E-01 0.184E+00 RMM: 3 -0.327213726486E+03 0.23358E-01 -0.15095E-02 5392 0.291E-01 0.354E-01 RMM: 4 -0.327212810922E+03 0.91556E-03 -0.17692E-03 4771 0.881E-02 0.890E-02 RMM: 5 -0.327212784015E+03 0.26908E-04 -0.20223E-04 4077 0.320E-02 0.911E-02 RMM: 6 -0.327212735484E+03 0.48531E-04 -0.29772E-05 2652 0.166E-02 0.557E-02 RMM: 7 -0.327212742467E+03 -0.69837E-05 -0.25681E-05 2575 0.155E-02 5421 T= 7127. E= 0.67559733E+03 F= 0.62905625E+03 E0= 0.65767549E+03 EK= 0.58038E+02 SP= -.12E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327829600575E+03 -0.61687E+00 -0.12278E-01 7760 0.252E+01 0.281E-01 RMM: 2 -0.327853212539E+03 -0.23612E-01 -0.10431E-01 5128 0.752E-01 0.148E+00 RMM: 3 -0.327837809374E+03 0.15403E-01 -0.12612E-02 5387 0.257E-01 0.282E-01 RMM: 4 -0.327837341329E+03 0.46804E-03 -0.15391E-03 4758 0.829E-02 0.131E-01 RMM: 5 -0.327837289876E+03 0.51454E-04 -0.21346E-04 3893 0.356E-02 0.119E-01 RMM: 6 -0.327837196748E+03 0.93128E-04 -0.54704E-05 3265 0.220E-02 0.386E-02 RMM: 7 -0.327837197320E+03 -0.57187E-06 -0.20777E-05 2530 0.140E-02 5422 T= 7220. E= 0.67559473E+03 F= 0.62843179E+03 E0= 0.65708286E+03 EK= 0.58794E+02 SP= -.12E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328271009086E+03 -0.43381E+00 -0.12327E-01 7528 0.254E+01 0.262E-01 RMM: 2 -0.328293720629E+03 -0.22712E-01 -0.11695E-01 5087 0.803E-01 0.138E+00 RMM: 3 -0.328280551123E+03 0.13170E-01 -0.13528E-02 5472 0.251E-01 0.275E-01 RMM: 4 -0.328279979667E+03 0.57146E-03 -0.12315E-03 4767 0.726E-02 0.933E-02 RMM: 5 -0.328279931702E+03 0.47965E-04 -0.16080E-04 3931 0.316E-02 0.836E-02 RMM: 6 -0.328279885157E+03 0.46545E-04 -0.32645E-05 2796 0.168E-02 0.510E-02 RMM: 7 -0.328279881845E+03 0.33122E-05 -0.23349E-05 2567 0.143E-02 5423 T= 7287. E= 0.67559337E+03 F= 0.62798911E+03 E0= 0.65667213E+03 EK= 0.59341E+02 SP= -.12E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328519356568E+03 -0.23947E+00 -0.12464E-01 7448 0.256E+01 0.200E-01 RMM: 2 -0.328533060104E+03 -0.13704E-01 -0.93657E-02 5113 0.726E-01 0.929E-01 RMM: 3 -0.328527059338E+03 0.60008E-02 -0.99807E-03 5609 0.202E-01 0.170E-01 RMM: 4 -0.328526809606E+03 0.24973E-03 -0.70457E-04 4759 0.571E-02 0.994E-02 RMM: 5 -0.328526747899E+03 0.61707E-04 -0.10091E-04 3766 0.272E-02 0.640E-02 RMM: 6 -0.328526724112E+03 0.23787E-04 -0.24201E-05 2587 0.147E-02 0.386E-02 RMM: 7 -0.328526722125E+03 0.19862E-05 -0.20450E-05 2522 0.137E-02 5424 T= 7326. E= 0.67559270E+03 F= 0.62774227E+03 E0= 0.65645588E+03 EK= 0.59660E+02 SP= -.12E+02 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328564760585E+03 -0.38036E-01 -0.12934E-01 7640 0.256E+01 0.181E-01 RMM: 2 -0.328578249647E+03 -0.13489E-01 -0.10949E-01 4978 0.789E-01 0.766E-01 RMM: 3 -0.328574119160E+03 0.41305E-02 -0.11953E-02 5868 0.204E-01 0.168E-01 RMM: 4 -0.328573820884E+03 0.29828E-03 -0.65688E-04 4689 0.601E-02 0.118E-01 RMM: 5 -0.328573728456E+03 0.92428E-04 -0.11676E-04 3736 0.292E-02 0.749E-02 RMM: 6 -0.328573693599E+03 0.34858E-04 -0.31105E-05 2792 0.167E-02 0.414E-02 RMM: 7 -0.328573686192E+03 0.74071E-05 -0.25419E-05 2532 0.147E-02 5425 T= 7336. E= 0.67559266E+03 F= 0.62769530E+03 E0= 0.65643754E+03 EK= 0.59744E+02 SP= -.12E+02 SK= 0.58E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328420724941E+03 0.15297E+00 -0.12477E-01 7408 0.256E+01 0.200E-01 RMM: 2 -0.328432599551E+03 -0.11875E-01 -0.86806E-02 5171 0.711E-01 0.847E-01 RMM: 3 -0.328427678377E+03 0.49212E-02 -0.91005E-03 5721 0.194E-01 0.159E-01 RMM: 4 -0.328427455212E+03 0.22317E-03 -0.61022E-04 4718 0.530E-02 0.101E-01 RMM: 5 -0.328427394911E+03 0.60301E-04 -0.89308E-05 3661 0.259E-02 0.679E-02 RMM: 6 -0.328427369983E+03 0.24927E-04 -0.24317E-05 2582 0.148E-02 0.434E-02 RMM: 7 -0.328427368320E+03 0.16639E-05 -0.31153E-05 2616 0.162E-02 5426 T= 7319. E= 0.67559411E+03 F= 0.62784162E+03 E0= 0.65661002E+03 EK= 0.59600E+02 SP= -.12E+02 SK= 0.43E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328105778510E+03 0.32159E+00 -0.12510E-01 7456 0.255E+01 0.184E-01 RMM: 2 -0.328116903532E+03 -0.11125E-01 -0.85120E-02 5170 0.698E-01 0.778E-01 RMM: 3 -0.328112708019E+03 0.41955E-02 -0.84270E-03 5805 0.179E-01 0.161E-01 RMM: 4 -0.328112521422E+03 0.18660E-03 -0.58414E-04 4628 0.570E-02 0.128E-01 RMM: 5 -0.328112414558E+03 0.10686E-03 -0.10363E-04 3667 0.270E-02 0.706E-02 RMM: 6 -0.328112386692E+03 0.27866E-04 -0.24499E-05 2626 0.154E-02 0.391E-02 RMM: 7 -0.328112385730E+03 0.96205E-06 -0.19699E-05 2512 0.127E-02 5427 T= 7276. E= 0.67559667E+03 F= 0.62815660E+03 E0= 0.65694838E+03 EK= 0.59254E+02 SP= -.12E+02 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327660632839E+03 0.45175E+00 -0.12565E-01 7672 0.254E+01 0.177E-01 RMM: 2 -0.327673898669E+03 -0.13266E-01 -0.10656E-01 4926 0.779E-01 0.769E-01 RMM: 3 -0.327669708730E+03 0.41899E-02 -0.11902E-02 5874 0.210E-01 0.147E-01 RMM: 4 -0.327669465885E+03 0.24285E-03 -0.59343E-04 4748 0.553E-02 0.106E-01 RMM: 5 -0.327669388842E+03 0.77043E-04 -0.89828E-05 3612 0.273E-02 0.646E-02 RMM: 6 -0.327669368136E+03 0.20705E-04 -0.26448E-05 2578 0.153E-02 0.466E-02 RMM: 7 -0.327669361430E+03 0.67067E-05 -0.37857E-05 2659 0.174E-02 5428 T= 7214. E= 0.67560042E+03 F= 0.62859963E+03 E0= 0.65741250E+03 EK= 0.58748E+02 SP= -.12E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327146279273E+03 0.52309E+00 -0.12026E-01 7488 0.251E+01 0.182E-01 RMM: 2 -0.327158731613E+03 -0.12452E-01 -0.93706E-02 5016 0.733E-01 0.811E-01 RMM: 3 -0.327154105021E+03 0.46266E-02 -0.10143E-02 5808 0.198E-01 0.161E-01 RMM: 4 -0.327153883798E+03 0.22122E-03 -0.60986E-04 4651 0.572E-02 0.117E-01 RMM: 5 -0.327153790657E+03 0.93141E-04 -0.96344E-05 3618 0.269E-02 0.671E-02 RMM: 6 -0.327153767686E+03 0.22971E-04 -0.25453E-05 2589 0.153E-02 0.424E-02 RMM: 7 -0.327153767137E+03 0.54951E-06 -0.24351E-05 2563 0.141E-02 5429 T= 7139. E= 0.67560445E+03 F= 0.62911522E+03 E0= 0.65794819E+03 EK= 0.58140E+02 SP= -.12E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326619181035E+03 0.53459E+00 -0.12368E-01 7664 0.248E+01 0.182E-01 RMM: 2 -0.326633064046E+03 -0.13883E-01 -0.10714E-01 4868 0.781E-01 0.812E-01 RMM: 3 -0.326628314272E+03 0.47498E-02 -0.12054E-02 5818 0.216E-01 0.167E-01 RMM: 4 -0.326628046644E+03 0.26763E-03 -0.63553E-04 4727 0.580E-02 0.105E-01 RMM: 5 -0.326627970773E+03 0.75871E-04 -0.95664E-05 3638 0.278E-02 0.677E-02 RMM: 6 -0.326627946915E+03 0.23858E-04 -0.27851E-05 2613 0.159E-02 0.434E-02 RMM: 7 -0.326627946457E+03 0.45802E-06 -0.30153E-05 2609 0.157E-02 5430 T= 7060. E= 0.67560900E+03 F= 0.62964104E+03 E0= 0.65849335E+03 EK= 0.57496E+02 SP= -.12E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326146903252E+03 0.48104E+00 -0.12275E-01 7616 0.246E+01 0.182E-01 RMM: 2 -0.326160395214E+03 -0.13492E-01 -0.10682E-01 4861 0.784E-01 0.780E-01 RMM: 3 -0.326156019096E+03 0.43761E-02 -0.12296E-02 5842 0.218E-01 0.156E-01 RMM: 4 -0.326155775601E+03 0.24350E-03 -0.63638E-04 4696 0.589E-02 0.116E-01 RMM: 5 -0.326155683739E+03 0.91862E-04 -0.98198E-05 3644 0.286E-02 0.642E-02 RMM: 6 -0.326155664019E+03 0.19720E-04 -0.27545E-05 2582 0.157E-02 5431 T= 6985. E= 0.67561319E+03 F= 0.63011333E+03 E0= 0.65898488E+03 EK= 0.56884E+02 SP= -.11E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325781287494E+03 0.37440E+00 -0.12125E-01 7544 0.243E+01 0.209E-01 RMM: 2 -0.325799298664E+03 -0.18011E-01 -0.10715E-01 4939 0.771E-01 0.113E+00 RMM: 3 -0.325790264539E+03 0.90341E-02 -0.11952E-02 5513 0.234E-01 0.204E-01 RMM: 4 -0.325789941335E+03 0.32320E-03 -0.84601E-04 4754 0.622E-02 0.887E-02 RMM: 5 -0.325789885751E+03 0.55584E-04 -0.10287E-04 3888 0.279E-02 0.664E-02 RMM: 6 -0.325789866919E+03 0.18832E-04 -0.25117E-05 2566 0.146E-02 5432 T= 6921. E= 0.67561628E+03 F= 0.63047912E+03 E0= 0.65937003E+03 EK= 0.56359E+02 SP= -.11E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325555895411E+03 0.23399E+00 -0.12256E-01 7624 0.241E+01 0.353E-01 RMM: 2 -0.325598200828E+03 -0.42305E-01 -0.11544E-01 4826 0.849E-01 0.220E+00 RMM: 3 -0.325564806772E+03 0.33394E-01 -0.19050E-02 5367 0.338E-01 0.328E-01 RMM: 4 -0.325564029772E+03 0.77700E-03 -0.20425E-03 5132 0.928E-02 0.909E-02 RMM: 5 -0.325564001148E+03 0.28624E-04 -0.20775E-04 4134 0.312E-02 0.983E-02 RMM: 6 -0.325563943356E+03 0.57793E-04 -0.35347E-05 2890 0.179E-02 0.556E-02 RMM: 7 -0.325563951353E+03 -0.79968E-05 -0.30144E-05 2655 0.163E-02 5433 T= 6871. E= 0.67561748E+03 F= 0.63070504E+03 E0= 0.65961472E+03 EK= 0.55956E+02 SP= -.11E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325481839696E+03 0.82104E-01 -0.12159E-01 7640 0.240E+01 0.308E-01 RMM: 2 -0.325510764960E+03 -0.28925E-01 -0.11942E-01 4798 0.828E-01 0.167E+00 RMM: 3 -0.325491447733E+03 0.19317E-01 -0.16829E-02 5395 0.305E-01 0.327E-01 RMM: 4 -0.325490778723E+03 0.66901E-03 -0.19436E-03 5191 0.944E-02 0.125E-01 RMM: 5 -0.325490799087E+03 -0.20364E-04 -0.25840E-04 3930 0.365E-02 0.147E-01 RMM: 6 -0.325490655471E+03 0.14362E-03 -0.69930E-05 3463 0.244E-02 0.354E-02 RMM: 7 -0.325490656464E+03 -0.99363E-06 -0.20456E-05 2540 0.133E-02 5434 T= 6839. E= 0.67561706E+03 F= 0.63077833E+03 E0= 0.65970603E+03 EK= 0.55690E+02 SP= -.11E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325549678730E+03 -0.59023E-01 -0.12581E-01 7880 0.239E+01 0.266E-01 RMM: 2 -0.325578400001E+03 -0.28721E-01 -0.13420E-01 4837 0.864E-01 0.159E+00 RMM: 3 -0.325560746329E+03 0.17654E-01 -0.16568E-02 5465 0.286E-01 0.236E-01 RMM: 4 -0.325560311779E+03 0.43455E-03 -0.13846E-03 4921 0.758E-02 0.103E-01 RMM: 5 -0.325560254427E+03 0.57352E-04 -0.16289E-04 3961 0.335E-02 0.842E-02 RMM: 6 -0.325560209114E+03 0.45314E-04 -0.35739E-05 2820 0.175E-02 0.516E-02 RMM: 7 -0.325560209508E+03 -0.39430E-06 -0.25787E-05 2559 0.159E-02 5435 T= 6822. E= 0.67561596E+03 F= 0.63070878E+03 E0= 0.65965311E+03 EK= 0.55554E+02 SP= -.11E+02 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325735248029E+03 -0.17504E+00 -0.13113E-01 7992 0.239E+01 0.197E-01 RMM: 2 -0.325755387537E+03 -0.20140E-01 -0.13939E-01 4893 0.860E-01 0.105E+00 RMM: 3 -0.325747453901E+03 0.79336E-02 -0.16067E-02 5744 0.251E-01 0.191E-01 RMM: 4 -0.325747078981E+03 0.37492E-03 -0.92242E-04 4867 0.657E-02 0.895E-02 RMM: 5 -0.325747041971E+03 0.37010E-04 -0.12269E-04 3900 0.297E-02 0.771E-02 RMM: 6 -0.325747009571E+03 0.32399E-04 -0.27391E-05 2583 0.159E-02 0.425E-02 RMM: 7 -0.325747011036E+03 -0.14649E-05 -0.17448E-05 2511 0.134E-02 5436 T= 6818. E= 0.67561337E+03 F= 0.63052198E+03 E0= 0.65948246E+03 EK= 0.55520E+02 SP= -.11E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325997497053E+03 -0.25049E+00 -0.14496E-01 7960 0.239E+01 0.182E-01 RMM: 2 -0.326018213170E+03 -0.20716E-01 -0.16592E-01 4908 0.925E-01 0.894E-01 RMM: 3 -0.326012025332E+03 0.61878E-02 -0.17865E-02 5966 0.248E-01 0.166E-01 RMM: 4 -0.326011630715E+03 0.39462E-03 -0.85549E-04 4790 0.680E-02 0.121E-01 RMM: 5 -0.326011546487E+03 0.84228E-04 -0.12889E-04 3820 0.309E-02 0.749E-02 RMM: 6 -0.326011515110E+03 0.31377E-04 -0.31289E-05 2740 0.169E-02 0.441E-02 RMM: 7 -0.326011513942E+03 0.11680E-05 -0.18878E-05 2514 0.137E-02 5437 T= 6822. E= 0.67561058E+03 F= 0.63025748E+03 E0= 0.65923374E+03 EK= 0.55551E+02 SP= -.10E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326296906231E+03 -0.28539E+00 -0.13224E-01 8160 0.240E+01 0.169E-01 RMM: 2 -0.326313770319E+03 -0.16864E-01 -0.14091E-01 5011 0.837E-01 0.762E-01 RMM: 3 -0.326309077280E+03 0.46930E-02 -0.14366E-02 6059 0.227E-01 0.150E-01 RMM: 4 -0.326308765342E+03 0.31194E-03 -0.64782E-04 4752 0.577E-02 0.101E-01 RMM: 5 -0.326308701227E+03 0.64116E-04 -0.93226E-05 3635 0.273E-02 0.649E-02 RMM: 6 -0.326308684172E+03 0.17055E-04 -0.25542E-05 2558 0.153E-02 5438 T= 6828. E= 0.67560800E+03 F= 0.62996031E+03 E0= 0.65895311E+03 EK= 0.55602E+02 SP= -.10E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326585520881E+03 -0.27682E+00 -0.13354E-01 8280 0.240E+01 0.214E-01 RMM: 2 -0.326606483164E+03 -0.20962E-01 -0.13571E-01 5145 0.810E-01 0.114E+00 RMM: 3 -0.326596958292E+03 0.95249E-02 -0.13373E-02 5657 0.235E-01 0.233E-01 RMM: 4 -0.326596484110E+03 0.47418E-03 -0.95259E-04 4815 0.657E-02 0.902E-02 RMM: 5 -0.326596438862E+03 0.45248E-04 -0.12462E-04 3943 0.277E-02 0.742E-02 RMM: 6 -0.326596413365E+03 0.25497E-04 -0.24146E-05 2565 0.146E-02 0.585E-02 RMM: 7 -0.326596419762E+03 -0.63966E-05 -0.28094E-05 2644 0.162E-02 5439 T= 6831. E= 0.67560546E+03 F= 0.62967257E+03 E0= 0.65868283E+03 EK= 0.55631E+02 SP= -.98E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326831069910E+03 -0.23466E+00 -0.13146E-01 8472 0.241E+01 0.248E-01 RMM: 2 -0.326852672239E+03 -0.21602E-01 -0.12111E-01 5173 0.770E-01 0.127E+00 RMM: 3 -0.326840853463E+03 0.11819E-01 -0.11957E-02 5533 0.236E-01 0.256E-01 RMM: 4 -0.326840417435E+03 0.43603E-03 -0.12531E-03 4706 0.781E-02 0.131E-01 RMM: 5 -0.326840407362E+03 0.10073E-04 -0.21391E-04 3883 0.372E-02 0.129E-01 RMM: 6 -0.326840296591E+03 0.11077E-03 -0.63839E-05 3388 0.239E-02 0.325E-02 RMM: 7 -0.326840297107E+03 -0.51594E-06 -0.17533E-05 2520 0.126E-02 5440 T= 6828. E= 0.67560420E+03 F= 0.62942869E+03 E0= 0.65845731E+03 EK= 0.55603E+02 SP= -.96E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327009315848E+03 -0.16902E+00 -0.14159E-01 8312 0.241E+01 0.239E-01 RMM: 2 -0.327034087216E+03 -0.24771E-01 -0.14812E-01 5060 0.859E-01 0.129E+00 RMM: 3 -0.327021723912E+03 0.12363E-01 -0.14977E-02 5601 0.253E-01 0.239E-01 RMM: 4 -0.327021217729E+03 0.50618E-03 -0.11646E-03 4800 0.738E-02 0.100E-01 RMM: 5 -0.327021165639E+03 0.52089E-04 -0.16655E-04 3975 0.317E-02 0.862E-02 RMM: 6 -0.327021115895E+03 0.49744E-04 -0.35124E-05 2825 0.178E-02 0.466E-02 RMM: 7 -0.327021112155E+03 0.37404E-05 -0.17789E-05 2505 0.131E-02 5441 T= 6815. E= 0.67560408E+03 F= 0.62924788E+03 E0= 0.65829398E+03 EK= 0.55501E+02 SP= -.93E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327129956171E+03 -0.10884E+00 -0.13236E-01 8352 0.241E+01 0.214E-01 RMM: 2 -0.327147919709E+03 -0.17964E-01 -0.11861E-01 5242 0.763E-01 0.105E+00 RMM: 3 -0.327139635156E+03 0.82846E-02 -0.11110E-02 5631 0.223E-01 0.207E-01 RMM: 4 -0.327139279067E+03 0.35609E-03 -0.86187E-04 4848 0.609E-02 0.818E-02 RMM: 5 -0.327139258565E+03 0.20501E-04 -0.11267E-04 3775 0.280E-02 0.824E-02 RMM: 6 -0.327139215959E+03 0.42607E-04 -0.27173E-05 2652 0.157E-02 0.404E-02 RMM: 7 -0.327139216704E+03 -0.74505E-06 -0.17379E-05 2516 0.129E-02 5442 T= 6794. E= 0.67560492E+03 F= 0.62912977E+03 E0= 0.65819193E+03 EK= 0.55325E+02 SP= -.90E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327202958355E+03 -0.63742E-01 -0.13412E-01 8368 0.241E+01 0.237E-01 RMM: 2 -0.327222919937E+03 -0.19962E-01 -0.12963E-01 5051 0.806E-01 0.113E+00 RMM: 3 -0.327213726544E+03 0.91934E-02 -0.13535E-02 5643 0.242E-01 0.242E-01 RMM: 4 -0.327213241031E+03 0.48551E-03 -0.11034E-03 4744 0.722E-02 0.114E-01 RMM: 5 -0.327213201107E+03 0.39924E-04 -0.17858E-04 3900 0.333E-02 0.104E-01 RMM: 6 -0.327213125658E+03 0.75449E-04 -0.48297E-05 3158 0.209E-02 0.369E-02 RMM: 7 -0.327213123234E+03 0.24240E-05 -0.15600E-05 2503 0.122E-02 5443 T= 6766. E= 0.67560669E+03 F= 0.62905587E+03 E0= 0.65813049E+03 EK= 0.55095E+02 SP= -.87E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327265255773E+03 -0.52130E-01 -0.13572E-01 8200 0.241E+01 0.215E-01 RMM: 2 -0.327283546307E+03 -0.18291E-01 -0.12390E-01 5058 0.798E-01 0.104E+00 RMM: 3 -0.327275621815E+03 0.79245E-02 -0.13047E-02 5661 0.237E-01 0.235E-01 RMM: 4 -0.327275160667E+03 0.46115E-03 -0.93909E-04 4846 0.640E-02 0.858E-02 RMM: 5 -0.327275123827E+03 0.36839E-04 -0.12766E-04 3854 0.299E-02 0.785E-02 RMM: 6 -0.327275084730E+03 0.39097E-04 -0.29062E-05 2674 0.158E-02 0.471E-02 RMM: 7 -0.327275082832E+03 0.18980E-05 -0.20288E-05 2521 0.141E-02 5444 T= 6735. E= 0.67560868E+03 F= 0.62899391E+03 E0= 0.65807657E+03 EK= 0.54844E+02 SP= -.84E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327358373967E+03 -0.83289E-01 -0.13022E-01 8328 0.241E+01 0.246E-01 RMM: 2 -0.327378439782E+03 -0.20066E-01 -0.11224E-01 5039 0.766E-01 0.126E+00 RMM: 3 -0.327367420008E+03 0.11020E-01 -0.12543E-02 5528 0.242E-01 0.236E-01 RMM: 4 -0.327366978218E+03 0.44179E-03 -0.10999E-03 4785 0.688E-02 0.970E-02 RMM: 5 -0.327366947232E+03 0.30986E-04 -0.15215E-04 3878 0.314E-02 0.904E-02 RMM: 6 -0.327366893469E+03 0.53763E-04 -0.35285E-05 2900 0.180E-02 0.405E-02 RMM: 7 -0.327366890985E+03 0.24842E-05 -0.14590E-05 2498 0.123E-02 5445 T= 6707. E= 0.67561094E+03 F= 0.62890210E+03 E0= 0.65798764E+03 EK= 0.54615E+02 SP= -.81E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327525181880E+03 -0.15829E+00 -0.12981E-01 8088 0.241E+01 0.252E-01 RMM: 2 -0.327545246934E+03 -0.20065E-01 -0.11442E-01 5069 0.778E-01 0.123E+00 RMM: 3 -0.327534524466E+03 0.10722E-01 -0.12944E-02 5508 0.246E-01 0.284E-01 RMM: 4 -0.327533930222E+03 0.59424E-03 -0.11810E-03 4752 0.720E-02 0.942E-02 RMM: 5 -0.327533888061E+03 0.42162E-04 -0.16097E-04 3933 0.315E-02 0.866E-02 RMM: 6 -0.327533837564E+03 0.50496E-04 -0.31081E-05 2764 0.169E-02 0.445E-02 RMM: 7 -0.327533833166E+03 0.43981E-05 -0.15779E-05 2498 0.126E-02 5446 T= 6687. E= 0.67561287E+03 F= 0.62873516E+03 E0= 0.65781959E+03 EK= 0.54454E+02 SP= -.78E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327808142988E+03 -0.27431E+00 -0.12680E-01 7920 0.241E+01 0.280E-01 RMM: 2 -0.327830916965E+03 -0.22774E-01 -0.10114E-01 5062 0.754E-01 0.148E+00 RMM: 3 -0.327816049210E+03 0.14868E-01 -0.12965E-02 5412 0.259E-01 0.258E-01 RMM: 4 -0.327815546919E+03 0.50229E-03 -0.12946E-03 4784 0.726E-02 0.924E-02 RMM: 5 -0.327815517635E+03 0.29285E-04 -0.16159E-04 3904 0.323E-02 0.885E-02 RMM: 6 -0.327815466776E+03 0.50859E-04 -0.34061E-05 2858 0.177E-02 0.421E-02 RMM: 7 -0.327815464760E+03 0.20163E-05 -0.14831E-05 2500 0.125E-02 5447 T= 6680. E= 0.67561445E+03 F= 0.62845352E+03 E0= 0.65753347E+03 EK= 0.54401E+02 SP= -.75E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328232270772E+03 -0.41680E+00 -0.12763E-01 7912 0.241E+01 0.280E-01 RMM: 2 -0.328252135034E+03 -0.19864E-01 -0.90833E-02 5107 0.714E-01 0.136E+00 RMM: 3 -0.328239443546E+03 0.12691E-01 -0.11816E-02 5388 0.252E-01 0.313E-01 RMM: 4 -0.328238786051E+03 0.65750E-03 -0.13053E-03 4693 0.747E-02 0.100E-01 RMM: 5 -0.328238747776E+03 0.38274E-04 -0.18296E-04 3900 0.339E-02 0.928E-02 RMM: 6 -0.328238688462E+03 0.59315E-04 -0.36760E-05 2951 0.186E-02 0.407E-02 RMM: 7 -0.328238685520E+03 0.29411E-05 -0.15645E-05 2499 0.126E-02 5448 T= 6690. E= 0.67561449E+03 F= 0.62803030E+03 E0= 0.65710458E+03 EK= 0.54480E+02 SP= -.71E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328798742459E+03 -0.56005E+00 -0.12605E-01 7760 0.241E+01 0.262E-01 RMM: 2 -0.328819000898E+03 -0.20258E-01 -0.90060E-02 5054 0.722E-01 0.139E+00 RMM: 3 -0.328805783114E+03 0.13218E-01 -0.11558E-02 5412 0.243E-01 0.235E-01 RMM: 4 -0.328805363109E+03 0.42001E-03 -0.11624E-03 4720 0.699E-02 0.903E-02 RMM: 5 -0.328805344298E+03 0.18811E-04 -0.15394E-04 3906 0.313E-02 5449 T= 6716. E= 0.67561352E+03 F= 0.62746364E+03 E0= 0.65653233E+03 EK= 0.54694E+02 SP= -.68E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329478578978E+03 -0.67322E+00 -0.12390E-01 7768 0.241E+01 0.156E-01 RMM: 2 -0.329489948407E+03 -0.11369E-01 -0.75858E-02 5218 0.631E-01 0.843E-01 RMM: 3 -0.329484973116E+03 0.49753E-02 -0.74218E-03 5562 0.176E-01 0.169E-01 RMM: 4 -0.329484759757E+03 0.21336E-03 -0.54238E-04 4617 0.479E-02 0.871E-02 RMM: 5 -0.329484707232E+03 0.52526E-04 -0.62957E-05 3390 0.217E-02 0.685E-02 RMM: 6 -0.329484690593E+03 0.16639E-04 -0.24084E-05 2552 0.147E-02 5450 T= 6755. E= 0.67561000E+03 F= 0.62678430E+03 E0= 0.65584903E+03 EK= 0.55007E+02 SP= -.64E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330205155599E+03 -0.72045E+00 -0.12488E-01 7344 0.241E+01 0.359E-01 RMM: 2 -0.330243130532E+03 -0.37975E-01 -0.85658E-02 4982 0.722E-01 0.218E+00 RMM: 3 -0.330211155430E+03 0.31975E-01 -0.16186E-02 5359 0.315E-01 0.330E-01 RMM: 4 -0.330210386479E+03 0.76895E-03 -0.18490E-03 4898 0.857E-02 0.940E-02 RMM: 5 -0.330210405180E+03 -0.18702E-04 -0.23492E-04 3898 0.372E-02 0.114E-01 RMM: 6 -0.330210320895E+03 0.84285E-04 -0.52672E-05 3247 0.212E-02 0.452E-02 RMM: 7 -0.330210313653E+03 0.72419E-05 -0.18083E-05 2517 0.134E-02 5451 T= 6797. E= 0.67560417E+03 F= 0.62605868E+03 E0= 0.65512180E+03 EK= 0.55352E+02 SP= -.61E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330884035808E+03 -0.67371E+00 -0.12171E-01 7440 0.241E+01 0.339E-01 RMM: 2 -0.330920300651E+03 -0.36265E-01 -0.79265E-02 5092 0.684E-01 0.212E+00 RMM: 3 -0.330889771290E+03 0.30529E-01 -0.14621E-02 5357 0.296E-01 0.295E-01 RMM: 4 -0.330889199306E+03 0.57198E-03 -0.17342E-03 4790 0.845E-02 0.130E-01 RMM: 5 -0.330889163469E+03 0.35837E-04 -0.23545E-04 3902 0.374E-02 0.121E-01 RMM: 6 -0.330889062583E+03 0.10089E-03 -0.66580E-05 3422 0.242E-02 0.409E-02 RMM: 7 -0.330889056282E+03 0.63004E-05 -0.18551E-05 2526 0.133E-02 5452 T= 6832. E= 0.67559768E+03 F= 0.62537993E+03 E0= 0.65444417E+03 EK= 0.55636E+02 SP= -.57E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331411844382E+03 -0.52278E+00 -0.11883E-01 7552 0.240E+01 0.308E-01 RMM: 2 -0.331439363035E+03 -0.27519E-01 -0.75702E-02 5089 0.679E-01 0.180E+00 RMM: 3 -0.331417535304E+03 0.21828E-01 -0.12467E-02 5371 0.270E-01 0.325E-01 RMM: 4 -0.331416788573E+03 0.74673E-03 -0.14940E-03 4736 0.789E-02 0.870E-02 RMM: 5 -0.331416778414E+03 0.10159E-04 -0.19241E-04 3901 0.341E-02 5453 T= 6847. E= 0.67559302E+03 F= 0.62485221E+03 E0= 0.65392035E+03 EK= 0.55755E+02 SP= -.53E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331694343758E+03 -0.27756E+00 -0.12060E-01 7712 0.240E+01 0.171E-01 RMM: 2 -0.331708081716E+03 -0.13738E-01 -0.76218E-02 5152 0.629E-01 0.101E+00 RMM: 3 -0.331700660141E+03 0.74216E-02 -0.78662E-03 5473 0.189E-01 0.182E-01 RMM: 4 -0.331700441832E+03 0.21831E-03 -0.72487E-04 4958 0.525E-02 0.823E-02 RMM: 5 -0.331700398933E+03 0.42899E-04 -0.77771E-05 3619 0.231E-02 0.731E-02 RMM: 6 -0.331700379433E+03 0.19500E-04 -0.24994E-05 2558 0.148E-02 5454 T= 6830. E= 0.67559040E+03 F= 0.62456861E+03 E0= 0.65364087E+03 EK= 0.55619E+02 SP= -.49E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331668563606E+03 0.31835E-01 -0.12801E-01 7672 0.238E+01 0.337E-01 RMM: 2 -0.331701781100E+03 -0.33217E-01 -0.96652E-02 4801 0.761E-01 0.196E+00 RMM: 3 -0.331675886777E+03 0.25894E-01 -0.16218E-02 5366 0.306E-01 0.317E-01 RMM: 4 -0.331675217332E+03 0.66945E-03 -0.18618E-03 4983 0.814E-02 0.837E-02 RMM: 5 -0.331675203042E+03 0.14289E-04 -0.19412E-04 3896 0.350E-02 5455 T= 6774. E= 0.67558983E+03 F= 0.62459379E+03 E0= 0.65367032E+03 EK= 0.55165E+02 SP= -.45E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331306227672E+03 0.36899E+00 -0.12278E-01 7768 0.237E+01 0.299E-01 RMM: 2 -0.331335174875E+03 -0.28947E-01 -0.86618E-02 5182 0.684E-01 0.181E+00 RMM: 3 -0.331312978232E+03 0.22197E-01 -0.12746E-02 5371 0.268E-01 0.318E-01 RMM: 4 -0.331312292866E+03 0.68537E-03 -0.15403E-03 4810 0.788E-02 0.101E-01 RMM: 5 -0.331312248068E+03 0.44798E-04 -0.17679E-04 3902 0.331E-02 0.893E-02 RMM: 6 -0.331312203535E+03 0.44533E-04 -0.37433E-05 2897 0.181E-02 0.577E-02 RMM: 7 -0.331312217912E+03 -0.14377E-04 -0.31589E-05 2673 0.169E-02 5456 T= 6676. E= 0.67559175E+03 F= 0.62495677E+03 E0= 0.65403579E+03 EK= 0.54369E+02 SP= -.41E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330609735767E+03 0.70247E+00 -0.12301E-01 7872 0.234E+01 0.268E-01 RMM: 2 -0.330631195380E+03 -0.21460E-01 -0.99342E-02 4820 0.737E-01 0.140E+00 RMM: 3 -0.330617639158E+03 0.13556E-01 -0.12770E-02 5458 0.249E-01 0.242E-01 RMM: 4 -0.330617268807E+03 0.37035E-03 -0.12576E-03 4766 0.729E-02 0.114E-01 RMM: 5 -0.330617255617E+03 0.13191E-04 -0.19510E-04 3896 0.344E-02 5457 T= 6538. E= 0.67559563E+03 F= 0.62565173E+03 E0= 0.65472940E+03 EK= 0.53244E+02 SP= -.37E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329615019197E+03 0.10022E+01 -0.11562E-01 8040 0.231E+01 0.161E-01 RMM: 2 -0.329628239945E+03 -0.13221E-01 -0.99261E-02 5124 0.700E-01 0.800E-01 RMM: 3 -0.329623416688E+03 0.48233E-02 -0.10314E-02 5830 0.201E-01 0.153E-01 RMM: 4 -0.329623192972E+03 0.22372E-03 -0.61728E-04 4942 0.511E-02 0.933E-02 RMM: 5 -0.329623127923E+03 0.65049E-04 -0.70678E-05 3503 0.227E-02 0.675E-02 RMM: 6 -0.329623115924E+03 0.11998E-04 -0.21867E-05 2539 0.139E-02 5458 T= 6365. E= 0.67560096E+03 F= 0.62664587E+03 E0= 0.65571732E+03 EK= 0.51831E+02 SP= -.32E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328376516038E+03 0.12466E+01 -0.11669E-01 7928 0.228E+01 0.244E-01 RMM: 2 -0.328399385060E+03 -0.22869E-01 -0.10747E-01 4815 0.753E-01 0.140E+00 RMM: 3 -0.328385502494E+03 0.13883E-01 -0.13368E-02 5451 0.253E-01 0.256E-01 RMM: 4 -0.328385027067E+03 0.47543E-03 -0.12993E-03 4914 0.728E-02 0.868E-02 RMM: 5 -0.328385001891E+03 0.25176E-04 -0.15230E-04 3964 0.297E-02 0.815E-02 RMM: 6 -0.328384964802E+03 0.37090E-04 -0.28769E-05 2662 0.160E-02 0.493E-02 RMM: 7 -0.328384977382E+03 -0.12580E-04 -0.27662E-05 2655 0.165E-02 5459 T= 6163. E= 0.67560645E+03 F= 0.62788401E+03 E0= 0.65694484E+03 EK= 0.50190E+02 SP= -.28E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326964249485E+03 0.14207E+01 -0.10804E-01 8232 0.225E+01 0.326E-01 RMM: 2 -0.326994501529E+03 -0.30252E-01 -0.10811E-01 4915 0.771E-01 0.179E+00 RMM: 3 -0.326972629434E+03 0.21872E-01 -0.15123E-02 5426 0.281E-01 0.324E-01 RMM: 4 -0.326971902703E+03 0.72673E-03 -0.19448E-03 4909 0.945E-02 0.129E-01 RMM: 5 -0.326971941451E+03 -0.38749E-04 -0.29407E-04 3904 0.399E-02 0.151E-01 RMM: 6 -0.326971784599E+03 0.15685E-03 -0.85903E-05 3618 0.268E-02 0.372E-02 RMM: 7 -0.326971779568E+03 0.50312E-05 -0.18316E-05 2530 0.129E-02 5460 T= 5944. E= 0.67561184E+03 F= 0.62929721E+03 E0= 0.65834208E+03 EK= 0.48401E+02 SP= -.24E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325445479482E+03 0.15263E+01 -0.11090E-01 8248 0.221E+01 0.227E-01 RMM: 2 -0.325467927494E+03 -0.22448E-01 -0.11751E-01 4907 0.773E-01 0.131E+00 RMM: 3 -0.325455283715E+03 0.12644E-01 -0.13660E-02 5518 0.248E-01 0.220E-01 RMM: 4 -0.325454893351E+03 0.39036E-03 -0.12054E-03 5062 0.688E-02 0.851E-02 RMM: 5 -0.325454855358E+03 0.37993E-04 -0.13454E-04 3881 0.293E-02 0.777E-02 RMM: 6 -0.325454820907E+03 0.34450E-04 -0.29577E-05 2650 0.164E-02 0.438E-02 RMM: 7 -0.325454826535E+03 -0.56275E-05 -0.19511E-05 2538 0.136E-02 5461 T= 5715. E= 0.67561718E+03 F= 0.63081416E+03 E0= 0.65983826E+03 EK= 0.46540E+02 SP= -.20E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323898012496E+03 0.15568E+01 -0.10343E-01 8672 0.218E+01 0.193E-01 RMM: 2 -0.323914080057E+03 -0.16068E-01 -0.10054E-01 5056 0.695E-01 0.103E+00 RMM: 3 -0.323906247195E+03 0.78329E-02 -0.10303E-02 5799 0.205E-01 0.193E-01 RMM: 4 -0.323905906394E+03 0.34080E-03 -0.76407E-04 4725 0.594E-02 0.864E-02 RMM: 5 -0.323905882485E+03 0.23909E-04 -0.10622E-04 3746 0.264E-02 0.706E-02 RMM: 6 -0.323905852420E+03 0.30065E-04 -0.23370E-05 2580 0.149E-02 0.348E-02 RMM: 7 -0.323905854553E+03 -0.21325E-05 -0.14873E-05 2496 0.121E-02 5462 T= 5488. E= 0.67562271E+03 F= 0.63236313E+03 E0= 0.66136305E+03 EK= 0.44687E+02 SP= -.17E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322391491905E+03 0.15144E+01 -0.10404E-01 8592 0.216E+01 0.174E-01 RMM: 2 -0.322406420421E+03 -0.14929E-01 -0.11768E-01 5004 0.756E-01 0.799E-01 RMM: 3 -0.322401462279E+03 0.49581E-02 -0.12467E-02 5916 0.213E-01 0.165E-01 RMM: 4 -0.322401132501E+03 0.32978E-03 -0.72593E-04 4856 0.577E-02 0.915E-02 RMM: 5 -0.322401088094E+03 0.44407E-04 -0.99863E-05 3701 0.260E-02 0.746E-02 RMM: 6 -0.322401056721E+03 0.31373E-04 -0.26475E-05 2608 0.159E-02 0.404E-02 RMM: 7 -0.322401054812E+03 0.19093E-05 -0.22430E-05 2552 0.141E-02 5463 T= 5271. E= 0.67562788E+03 F= 0.63386793E+03 E0= 0.66284017E+03 EK= 0.42922E+02 SP= -.13E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321013110091E+03 0.13879E+01 -0.10319E-01 8848 0.213E+01 0.167E-01 RMM: 2 -0.321027867966E+03 -0.14758E-01 -0.11183E-01 5142 0.728E-01 0.830E-01 RMM: 3 -0.321022614728E+03 0.52532E-02 -0.11172E-02 5900 0.198E-01 0.157E-01 RMM: 4 -0.321022316217E+03 0.29851E-03 -0.62842E-04 4763 0.538E-02 0.992E-02 RMM: 5 -0.321022264490E+03 0.51728E-04 -0.88258E-05 3616 0.257E-02 0.628E-02 RMM: 6 -0.321022247322E+03 0.17167E-04 -0.23314E-05 2574 0.145E-02 5464 T= 5076. E= 0.67563416E+03 F= 0.63524674E+03 E0= 0.66418972E+03 EK= 0.41332E+02 SP= -.11E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319855097381E+03 0.11672E+01 -0.10371E-01 8688 0.211E+01 0.245E-01 RMM: 2 -0.319878953080E+03 -0.23856E-01 -0.11804E-01 5066 0.767E-01 0.140E+00 RMM: 3 -0.319865032558E+03 0.13921E-01 -0.13442E-02 5525 0.245E-01 0.263E-01 RMM: 4 -0.319864477423E+03 0.55514E-03 -0.12208E-03 4878 0.708E-02 0.977E-02 RMM: 5 -0.319864433456E+03 0.43966E-04 -0.13986E-04 4168 0.276E-02 0.818E-02 RMM: 6 -0.319864410374E+03 0.23083E-04 -0.21620E-05 2552 0.135E-02 0.737E-02 RMM: 7 -0.319864423346E+03 -0.12972E-04 -0.43748E-05 3072 0.194E-02 5465 T= 4914. E= 0.67564114E+03 F= 0.63640457E+03 E0= 0.66531713E+03 EK= 0.40013E+02 SP= -.85E+00 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319025908852E+03 0.83850E+00 -0.91704E-02 8880 0.209E+01 0.287E-01 RMM: 2 -0.319047961826E+03 -0.22053E-01 -0.96298E-02 5207 0.700E-01 0.145E+00 RMM: 3 -0.319033410382E+03 0.14551E-01 -0.12013E-02 5413 0.249E-01 0.302E-01 RMM: 4 -0.319032839133E+03 0.57125E-03 -0.15086E-03 4751 0.796E-02 0.123E-01 RMM: 5 -0.319032848495E+03 -0.93616E-05 -0.22201E-04 3892 0.369E-02 0.135E-01 RMM: 6 -0.319032730335E+03 0.11816E-03 -0.64538E-05 3394 0.238E-02 0.376E-02 RMM: 7 -0.319032731412E+03 -0.10761E-05 -0.17097E-05 2524 0.127E-02 5466 T= 4798. E= 0.67564787E+03 F= 0.63723626E+03 E0= 0.66611839E+03 EK= 0.39070E+02 SP= -.69E+00 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318615007890E+03 0.41772E+00 -0.85342E-02 8384 0.208E+01 0.282E-01 RMM: 2 -0.318639085853E+03 -0.24078E-01 -0.96470E-02 5204 0.713E-01 0.155E+00 RMM: 3 -0.318622629515E+03 0.16456E-01 -0.12247E-02 5440 0.252E-01 0.285E-01 RMM: 4 -0.318622023486E+03 0.60603E-03 -0.13412E-03 4788 0.737E-02 0.106E-01 RMM: 5 -0.318621962794E+03 0.60692E-04 -0.15540E-04 3890 0.309E-02 0.811E-02 RMM: 6 -0.318621925133E+03 0.37661E-04 -0.27277E-05 2637 0.158E-02 0.585E-02 RMM: 7 -0.318621922040E+03 0.30921E-05 -0.17155E-05 2514 0.131E-02 5467 T= 4739. E= 0.67565137E+03 F= 0.63764707E+03 E0= 0.66650162E+03 EK= 0.38595E+02 SP= -.60E+00 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318675469124E+03 -0.53544E-01 -0.75813E-02 8256 0.208E+01 0.239E-01 RMM: 2 -0.318690349649E+03 -0.14881E-01 -0.62122E-02 5141 0.585E-01 0.122E+00 RMM: 3 -0.318680164651E+03 0.10185E-01 -0.86794E-03 5405 0.215E-01 0.224E-01 RMM: 4 -0.318679818539E+03 0.34611E-03 -0.93387E-04 5000 0.562E-02 0.708E-02 RMM: 5 -0.318679805289E+03 0.13251E-04 -0.93776E-05 3651 0.262E-02 5468 T= 4744. E= 0.67564954E+03 F= 0.63758918E+03 E0= 0.66641768E+03 EK= 0.38632E+02 SP= -.57E+00 SK= 0.14E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319171927460E+03 -0.49211E+00 -0.75198E-02 8016 0.210E+01 0.140E-01 RMM: 2 -0.319180468404E+03 -0.85409E-02 -0.62555E-02 5127 0.554E-01 0.660E-01 RMM: 3 -0.319177273921E+03 0.31945E-02 -0.63967E-03 5620 0.159E-01 0.165E-01 RMM: 4 -0.319177057225E+03 0.21670E-03 -0.46720E-04 4356 0.452E-02 0.833E-02 RMM: 5 -0.319177009203E+03 0.48023E-04 -0.53118E-05 3206 0.206E-02 0.623E-02 RMM: 6 -0.319176994360E+03 0.14842E-04 -0.22872E-05 2538 0.146E-02 5469 T= 4808. E= 0.67564259E+03 F= 0.63709199E+03 E0= 0.66589860E+03 EK= 0.39154E+02 SP= -.61E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320004476840E+03 -0.82747E+00 -0.81743E-02 8672 0.214E+01 0.257E-01 RMM: 2 -0.320028043524E+03 -0.23567E-01 -0.78454E-02 5118 0.636E-01 0.159E+00 RMM: 3 -0.320010487161E+03 0.17556E-01 -0.10631E-02 5407 0.239E-01 0.239E-01 RMM: 4 -0.320010108188E+03 0.37897E-03 -0.12831E-03 4924 0.682E-02 0.910E-02 RMM: 5 -0.320010069060E+03 0.39128E-04 -0.12187E-04 3887 0.268E-02 0.786E-02 RMM: 6 -0.320010038863E+03 0.30197E-04 -0.23272E-05 2596 0.148E-02 0.518E-02 RMM: 7 -0.320010042588E+03 -0.37252E-05 -0.19756E-05 2539 0.139E-02 5470 T= 4919. E= 0.67563260E+03 F= 0.63625895E+03 E0= 0.66504635E+03 EK= 0.40057E+02 SP= -.72E+00 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321029491929E+03 -0.10195E+01 -0.94262E-02 8944 0.217E+01 0.325E-01 RMM: 2 -0.321061548583E+03 -0.32057E-01 -0.10195E-01 5191 0.721E-01 0.186E+00 RMM: 3 -0.321037280634E+03 0.24268E-01 -0.14236E-02 5408 0.280E-01 0.333E-01 RMM: 4 -0.321036530584E+03 0.75005E-03 -0.18696E-03 4829 0.891E-02 0.123E-01 RMM: 5 -0.321036514357E+03 0.16226E-04 -0.24977E-04 3904 0.382E-02 0.123E-01 RMM: 6 -0.321036417244E+03 0.97114E-04 -0.58853E-05 3321 0.228E-02 0.530E-02 RMM: 7 -0.321036420344E+03 -0.31007E-05 -0.23582E-05 2598 0.147E-02 5471 T= 5060. E= 0.67562324E+03 F= 0.63523257E+03 E0= 0.66400419E+03 EK= 0.41203E+02 SP= -.89E+00 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322110312481E+03 -0.10739E+01 -0.10830E-01 9072 0.221E+01 0.251E-01 RMM: 2 -0.322132121291E+03 -0.21809E-01 -0.11415E-01 5343 0.734E-01 0.132E+00 RMM: 3 -0.322119725378E+03 0.12396E-01 -0.12074E-02 5446 0.240E-01 0.263E-01 RMM: 4 -0.322119263274E+03 0.46210E-03 -0.13240E-03 4921 0.708E-02 0.108E-01 RMM: 5 -0.322119196554E+03 0.66720E-04 -0.13963E-04 3950 0.281E-02 0.847E-02 RMM: 6 -0.322119166947E+03 0.29606E-04 -0.23771E-05 2598 0.149E-02 0.654E-02 RMM: 7 -0.322119168496E+03 -0.15489E-05 -0.20844E-05 2568 0.140E-02 5472 T= 5213. E= 0.67561634E+03 F= 0.63414982E+03 E0= 0.66290760E+03 EK= 0.42455E+02 SP= -.11E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323144647786E+03 -0.10255E+01 -0.11610E-01 9072 0.223E+01 0.226E-01 RMM: 2 -0.323165539625E+03 -0.20892E-01 -0.12492E-01 5188 0.765E-01 0.120E+00 RMM: 3 -0.323155360246E+03 0.10179E-01 -0.13520E-02 5620 0.233E-01 0.231E-01 RMM: 4 -0.323154894539E+03 0.46571E-03 -0.11020E-03 4907 0.665E-02 0.996E-02 RMM: 5 -0.323154849439E+03 0.45100E-04 -0.13311E-04 3985 0.274E-02 0.797E-02 RMM: 6 -0.323154824950E+03 0.24489E-04 -0.20558E-05 2557 0.133E-02 0.621E-02 RMM: 7 -0.323154827578E+03 -0.26287E-05 -0.17924E-05 2567 0.131E-02 5473 T= 5367. E= 0.67561133E+03 F= 0.63311416E+03 E0= 0.66186064E+03 EK= 0.43707E+02 SP= -.14E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324063103204E+03 -0.90828E+00 -0.13327E-01 8968 0.225E+01 0.197E-01 RMM: 2 -0.324081899504E+03 -0.18796E-01 -0.14141E-01 5147 0.812E-01 0.930E-01 RMM: 3 -0.324075334125E+03 0.65654E-02 -0.14250E-02 5793 0.227E-01 0.183E-01 RMM: 4 -0.324074965729E+03 0.36840E-03 -0.90874E-04 4909 0.626E-02 0.112E-01 RMM: 5 -0.324074901919E+03 0.63810E-04 -0.12330E-04 3877 0.274E-02 0.783E-02 RMM: 6 -0.324074877038E+03 0.24881E-04 -0.26270E-05 2626 0.154E-02 0.566E-02 RMM: 7 -0.324074883255E+03 -0.62172E-05 -0.26223E-05 2622 0.151E-02 5474 T= 5512. E= 0.67560763E+03 F= 0.63219411E+03 E0= 0.66093114E+03 EK= 0.44887E+02 SP= -.17E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324826344653E+03 -0.75147E+00 -0.14053E-01 9040 0.227E+01 0.191E-01 RMM: 2 -0.324845585480E+03 -0.19241E-01 -0.14728E-01 5226 0.812E-01 0.925E-01 RMM: 3 -0.324838934109E+03 0.66514E-02 -0.13495E-02 5862 0.219E-01 0.184E-01 RMM: 4 -0.324838553156E+03 0.38095E-03 -0.83137E-04 4977 0.599E-02 0.104E-01 RMM: 5 -0.324838496697E+03 0.56459E-04 -0.11110E-04 3789 0.270E-02 0.698E-02 RMM: 6 -0.324838477438E+03 0.19259E-04 -0.24583E-05 2583 0.146E-02 5475 T= 5643. E= 0.67560569E+03 F= 0.63143051E+03 E0= 0.66016067E+03 EK= 0.45952E+02 SP= -.21E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325416262836E+03 -0.57777E+00 -0.14896E-01 8856 0.228E+01 0.221E-01 RMM: 2 -0.325438966562E+03 -0.22704E-01 -0.15430E-01 5366 0.824E-01 0.113E+00 RMM: 3 -0.325429461308E+03 0.95053E-02 -0.13917E-02 5627 0.235E-01 0.242E-01 RMM: 4 -0.325428927775E+03 0.53353E-03 -0.10604E-03 4955 0.660E-02 0.928E-02 RMM: 5 -0.325428890110E+03 0.37665E-04 -0.12082E-04 4059 0.256E-02 0.797E-02 RMM: 6 -0.325428876492E+03 0.13618E-04 -0.21039E-05 2550 0.135E-02 5476 T= 5757. E= 0.67560451E+03 F= 0.63084011E+03 E0= 0.65956554E+03 EK= 0.46879E+02 SP= -.24E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325837549060E+03 -0.40866E+00 -0.15171E-01 9008 0.229E+01 0.400E-01 RMM: 2 -0.325892094627E+03 -0.54546E-01 -0.14932E-01 5202 0.852E-01 0.249E+00 RMM: 3 -0.325848906429E+03 0.43188E-01 -0.21245E-02 5367 0.346E-01 0.377E-01 RMM: 4 -0.325847828286E+03 0.10781E-02 -0.26213E-03 5119 0.993E-02 0.109E-01 RMM: 5 -0.325847782001E+03 0.46284E-04 -0.26674E-04 4318 0.331E-02 0.100E-01 RMM: 6 -0.325847731808E+03 0.50193E-04 -0.31986E-05 2723 0.167E-02 0.683E-02 RMM: 7 -0.325847747939E+03 -0.16131E-04 -0.42652E-05 3119 0.188E-02 5477 T= 5854. E= 0.67560423E+03 F= 0.63042124E+03 E0= 0.65914594E+03 EK= 0.47668E+02 SP= -.29E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326108980877E+03 -0.26125E+00 -0.14441E-01 8976 0.230E+01 0.384E-01 RMM: 2 -0.326156981649E+03 -0.48001E-01 -0.13892E-01 5196 0.799E-01 0.230E+00 RMM: 3 -0.326119515522E+03 0.37466E-01 -0.19532E-02 5368 0.332E-01 0.396E-01 RMM: 4 -0.326118450068E+03 0.10655E-02 -0.25176E-03 5143 0.104E-01 0.141E-01 RMM: 5 -0.326118551581E+03 -0.10151E-03 -0.38827E-04 3950 0.464E-02 0.189E-01 RMM: 6 -0.326118326370E+03 0.22521E-03 -0.12604E-04 3833 0.320E-02 0.532E-02 RMM: 7 -0.326118331034E+03 -0.46632E-05 -0.30971E-05 2874 0.158E-02 5478 T= 5936. E= 0.67560553E+03 F= 0.63015066E+03 E0= 0.65887915E+03 EK= 0.48338E+02 SP= -.33E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326272173273E+03 -0.15385E+00 -0.14439E-01 9040 0.230E+01 0.283E-01 RMM: 2 -0.326303841062E+03 -0.31668E-01 -0.13767E-01 5130 0.800E-01 0.169E+00 RMM: 3 -0.326283342707E+03 0.20498E-01 -0.15423E-02 5409 0.277E-01 0.250E-01 RMM: 4 -0.326282898963E+03 0.44374E-03 -0.16781E-03 5153 0.755E-02 0.108E-01 RMM: 5 -0.326282811801E+03 0.87162E-04 -0.14439E-04 3866 0.309E-02 0.802E-02 RMM: 6 -0.326282774150E+03 0.37650E-04 -0.29316E-05 2709 0.159E-02 0.570E-02 RMM: 7 -0.326282774830E+03 -0.67973E-06 -0.26590E-05 2613 0.157E-02 5479 T= 6008. E= 0.67560837E+03 F= 0.62998621E+03 E0= 0.65872223E+03 EK= 0.48928E+02 SP= -.38E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326388937448E+03 -0.10616E+00 -0.13454E-01 8848 0.231E+01 0.229E-01 RMM: 2 -0.326410033971E+03 -0.21097E-01 -0.13096E-01 4947 0.808E-01 0.118E+00 RMM: 3 -0.326399869734E+03 0.10164E-01 -0.14288E-02 5615 0.251E-01 0.222E-01 RMM: 4 -0.326399446765E+03 0.42297E-03 -0.11408E-03 4995 0.682E-02 0.868E-02 RMM: 5 -0.326399410639E+03 0.36125E-04 -0.12761E-04 3855 0.285E-02 0.788E-02 RMM: 6 -0.326399377957E+03 0.32682E-04 -0.26232E-05 2611 0.153E-02 0.508E-02 RMM: 7 -0.326399380018E+03 -0.20606E-05 -0.17563E-05 2542 0.134E-02 5480 T= 6078. E= 0.67561153E+03 F= 0.62986961E+03 E0= 0.65861884E+03 EK= 0.49494E+02 SP= -.42E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326520720087E+03 -0.12134E+00 -0.13193E-01 8368 0.231E+01 0.184E-01 RMM: 2 -0.326538322336E+03 -0.17602E-01 -0.13284E-01 5041 0.814E-01 0.899E-01 RMM: 3 -0.326532114163E+03 0.62082E-02 -0.13783E-02 5791 0.230E-01 0.164E-01 RMM: 4 -0.326531805784E+03 0.30838E-03 -0.80992E-04 4921 0.609E-02 0.110E-01 RMM: 5 -0.326531728484E+03 0.77300E-04 -0.10030E-04 3718 0.271E-02 0.678E-02 RMM: 6 -0.326531707653E+03 0.20831E-04 -0.24062E-05 2572 0.147E-02 0.530E-02 RMM: 7 -0.326531706916E+03 0.73777E-06 -0.28290E-05 2645 0.155E-02 5481 T= 6152. E= 0.67561396E+03 F= 0.62973728E+03 E0= 0.65850317E+03 EK= 0.50095E+02 SP= -.47E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326724590404E+03 -0.19288E+00 -0.12138E-01 8112 0.232E+01 0.199E-01 RMM: 2 -0.326740000452E+03 -0.15410E-01 -0.10898E-01 4950 0.763E-01 0.929E-01 RMM: 3 -0.326733587890E+03 0.64126E-02 -0.11885E-02 5787 0.224E-01 0.188E-01 RMM: 4 -0.326733277720E+03 0.31017E-03 -0.78785E-04 4909 0.594E-02 0.905E-02 RMM: 5 -0.326733241688E+03 0.36032E-04 -0.10349E-04 3685 0.275E-02 0.796E-02 RMM: 6 -0.326733205905E+03 0.35783E-04 -0.28786E-05 2746 0.165E-02 0.451E-02 RMM: 7 -0.326733207335E+03 -0.14302E-05 -0.22533E-05 2580 0.145E-02 5482 T= 6236. E= 0.67561545E+03 F= 0.62953578E+03 E0= 0.65832182E+03 EK= 0.50783E+02 SP= -.52E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327028957969E+03 -0.29575E+00 -0.11207E-01 7856 0.233E+01 0.173E-01 RMM: 2 -0.327041167847E+03 -0.12210E-01 -0.87887E-02 5005 0.688E-01 0.824E-01 RMM: 3 -0.327036206677E+03 0.49612E-02 -0.95288E-03 5729 0.198E-01 0.167E-01 RMM: 4 -0.327035969284E+03 0.23739E-03 -0.62860E-04 4733 0.546E-02 0.916E-02 RMM: 5 -0.327035920554E+03 0.48730E-04 -0.88812E-05 3615 0.256E-02 0.685E-02 RMM: 6 -0.327035893561E+03 0.26992E-04 -0.23318E-05 2573 0.149E-02 0.395E-02 RMM: 7 -0.327035891916E+03 0.16452E-05 -0.15575E-05 2491 0.123E-02 5483 T= 6335. E= 0.67561500E+03 F= 0.62923310E+03 E0= 0.65803916E+03 EK= 0.51587E+02 SP= -.58E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327431045434E+03 -0.39515E+00 -0.11164E-01 7840 0.234E+01 0.173E-01 RMM: 2 -0.327441306216E+03 -0.10261E-01 -0.71671E-02 5117 0.632E-01 0.798E-01 RMM: 3 -0.327436735986E+03 0.45702E-02 -0.74471E-03 5720 0.179E-01 0.162E-01 RMM: 4 -0.327436526921E+03 0.20906E-03 -0.51704E-04 4668 0.491E-02 0.800E-02 RMM: 5 -0.327436495190E+03 0.31732E-04 -0.73205E-05 3527 0.231E-02 0.705E-02 RMM: 6 -0.327436466525E+03 0.28665E-04 -0.23648E-05 2593 0.154E-02 0.373E-02 RMM: 7 -0.327436465889E+03 0.63531E-06 -0.14752E-05 2487 0.118E-02 5484 T= 6447. E= 0.67561243E+03 F= 0.62883252E+03 E0= 0.65765664E+03 EK= 0.52501E+02 SP= -.63E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327888707209E+03 -0.45224E+00 -0.11146E-01 7840 0.236E+01 0.188E-01 RMM: 2 -0.327900347293E+03 -0.11640E-01 -0.74493E-02 5202 0.638E-01 0.910E-01 RMM: 3 -0.327894594600E+03 0.57527E-02 -0.76435E-03 5715 0.182E-01 0.186E-01 RMM: 4 -0.327894329202E+03 0.26540E-03 -0.62049E-04 4634 0.549E-02 0.909E-02 RMM: 5 -0.327894281350E+03 0.47852E-04 -0.89563E-05 3647 0.244E-02 0.715E-02 RMM: 6 -0.327894254137E+03 0.27212E-04 -0.21844E-05 2585 0.148E-02 0.405E-02 RMM: 7 -0.327894253196E+03 0.94125E-06 -0.13707E-05 2488 0.113E-02 5485 T= 6568. E= 0.67560818E+03 F= 0.62837474E+03 E0= 0.65721283E+03 EK= 0.53482E+02 SP= -.68E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328334933210E+03 -0.44068E+00 -0.11728E-01 8128 0.238E+01 0.175E-01 RMM: 2 -0.328347010333E+03 -0.12077E-01 -0.90604E-02 5190 0.680E-01 0.793E-01 RMM: 3 -0.328342282998E+03 0.47273E-02 -0.89290E-03 5792 0.190E-01 0.168E-01 RMM: 4 -0.328342054537E+03 0.22846E-03 -0.59649E-04 4710 0.522E-02 0.100E-01 RMM: 5 -0.328341992275E+03 0.62262E-04 -0.80122E-05 3583 0.239E-02 0.735E-02 RMM: 6 -0.328341967833E+03 0.24442E-04 -0.21888E-05 2570 0.144E-02 0.512E-02 RMM: 7 -0.328341961555E+03 0.62786E-05 -0.21954E-05 2586 0.139E-02 5486 T= 6688. E= 0.67560285E+03 F= 0.62792703E+03 E0= 0.65677296E+03 EK= 0.54460E+02 SP= -.73E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328692074520E+03 -0.35011E+00 -0.12534E-01 8560 0.240E+01 0.180E-01 RMM: 2 -0.328705746537E+03 -0.13672E-01 -0.10251E-01 5189 0.718E-01 0.845E-01 RMM: 3 -0.328700555625E+03 0.51909E-02 -0.10137E-02 5787 0.201E-01 0.180E-01 RMM: 4 -0.328700281041E+03 0.27458E-03 -0.67894E-04 4723 0.565E-02 0.103E-01 RMM: 5 -0.328700213767E+03 0.67274E-04 -0.96381E-05 3668 0.257E-02 0.734E-02 RMM: 6 -0.328700190793E+03 0.22975E-04 -0.21568E-05 2576 0.142E-02 0.538E-02 RMM: 7 -0.328700185239E+03 0.55532E-05 -0.19543E-05 2554 0.134E-02 5487 T= 6797. E= 0.67559743E+03 F= 0.62756880E+03 E0= 0.65641540E+03 EK= 0.55349E+02 SP= -.78E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328880658443E+03 -0.18047E+00 -0.13494E-01 8536 0.241E+01 0.166E-01 RMM: 2 -0.328894383040E+03 -0.13725E-01 -0.11396E-01 5272 0.740E-01 0.724E-01 RMM: 3 -0.328890222914E+03 0.41601E-02 -0.10728E-02 5855 0.200E-01 0.153E-01 RMM: 4 -0.328890009733E+03 0.21318E-03 -0.62294E-04 4702 0.539E-02 0.114E-01 RMM: 5 -0.328889923440E+03 0.86293E-04 -0.89570E-05 3607 0.251E-02 0.725E-02 RMM: 6 -0.328889904070E+03 0.19369E-04 -0.21488E-05 2559 0.140E-02 5488 T= 6885. E= 0.67559295E+03 F= 0.62737909E+03 E0= 0.65621880E+03 EK= 0.56067E+02 SP= -.84E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328831680351E+03 0.58243E-01 -0.14000E-01 8672 0.242E+01 0.181E-01 RMM: 2 -0.328848966391E+03 -0.17286E-01 -0.12731E-01 5236 0.773E-01 0.927E-01 RMM: 3 -0.328842388793E+03 0.65776E-02 -0.12061E-02 5790 0.215E-01 0.193E-01 RMM: 4 -0.328842045568E+03 0.34322E-03 -0.73810E-04 4931 0.563E-02 0.960E-02 RMM: 5 -0.328841998468E+03 0.47100E-04 -0.75806E-05 3496 0.225E-02 0.829E-02 RMM: 6 -0.328841987443E+03 0.11026E-04 -0.17526E-05 2519 0.124E-02 5489 T= 6943. E= 0.67558983E+03 F= 0.62742700E+03 E0= 0.65625305E+03 EK= 0.56539E+02 SP= -.88E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328497739885E+03 0.34426E+00 -0.14557E-01 8752 0.243E+01 0.305E-01 RMM: 2 -0.328531106576E+03 -0.33367E-01 -0.13570E-01 5115 0.819E-01 0.178E+00 RMM: 3 -0.328508670709E+03 0.22436E-01 -0.16732E-02 5402 0.293E-01 0.323E-01 RMM: 4 -0.328507913352E+03 0.75736E-03 -0.17880E-03 4942 0.847E-02 0.975E-02 RMM: 5 -0.328507861944E+03 0.51409E-04 -0.19587E-04 4501 0.296E-02 0.882E-02 RMM: 6 -0.328507831304E+03 0.30639E-04 -0.21537E-05 2560 0.141E-02 0.704E-02 RMM: 7 -0.328507842852E+03 -0.11548E-04 -0.32453E-05 2760 0.170E-02 5490 T= 6964. E= 0.67558853E+03 F= 0.62776115E+03 E0= 0.65656870E+03 EK= 0.56711E+02 SP= -.93E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327856063922E+03 0.65177E+00 -0.15348E-01 8768 0.243E+01 0.323E-01 RMM: 2 -0.327889959281E+03 -0.33895E-01 -0.15050E-01 5127 0.840E-01 0.176E+00 RMM: 3 -0.327868010031E+03 0.21949E-01 -0.16776E-02 5424 0.293E-01 0.336E-01 RMM: 4 -0.327867290717E+03 0.71931E-03 -0.20800E-03 5027 0.978E-02 0.154E-01 RMM: 5 -0.327867341607E+03 -0.50890E-04 -0.33676E-04 3927 0.442E-02 0.178E-01 RMM: 6 -0.327867132587E+03 0.20902E-03 -0.11990E-04 3826 0.312E-02 0.437E-02 RMM: 7 -0.327867136754E+03 -0.41664E-05 -0.24812E-05 2633 0.144E-02 5491 T= 6945. E= 0.67558954E+03 F= 0.62840185E+03 E0= 0.65718700E+03 EK= 0.56560E+02 SP= -.98E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326914924246E+03 0.95221E+00 -0.16362E-01 8784 0.243E+01 0.256E-01 RMM: 2 -0.326943243405E+03 -0.28319E-01 -0.15929E-01 5227 0.853E-01 0.143E+00 RMM: 3 -0.326928066123E+03 0.15177E-01 -0.14874E-02 5519 0.259E-01 0.242E-01 RMM: 4 -0.326927603782E+03 0.46234E-03 -0.13010E-03 4885 0.736E-02 0.105E-01 RMM: 5 -0.326927535904E+03 0.67878E-04 -0.16435E-04 3954 0.314E-02 0.896E-02 RMM: 6 -0.326927487153E+03 0.48750E-04 -0.36111E-05 2918 0.179E-02 0.490E-02 RMM: 7 -0.326927486490E+03 0.66374E-06 -0.23023E-05 2562 0.143E-02 5492 T= 6888. E= 0.67559280E+03 F= 0.62934150E+03 E0= 0.65810013E+03 EK= 0.56091E+02 SP= -.10E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325714186772E+03 0.12133E+01 -0.16512E-01 8920 0.241E+01 0.199E-01 RMM: 2 -0.325733712330E+03 -0.19526E-01 -0.14647E-01 5365 0.811E-01 0.945E-01 RMM: 3 -0.325726524598E+03 0.71877E-02 -0.11869E-02 5711 0.222E-01 0.205E-01 RMM: 4 -0.325726155417E+03 0.36918E-03 -0.85564E-04 4862 0.614E-02 0.850E-02 RMM: 5 -0.325726122628E+03 0.32789E-04 -0.11301E-04 3788 0.270E-02 0.794E-02 RMM: 6 -0.325726085940E+03 0.36688E-04 -0.26178E-05 2648 0.156E-02 0.451E-02 RMM: 7 -0.325726088229E+03 -0.22892E-05 -0.18893E-05 2516 0.133E-02 5493 T= 6796. E= 0.67559795E+03 F= 0.63054290E+03 E0= 0.65927373E+03 EK= 0.55342E+02 SP= -.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324314504914E+03 0.14116E+01 -0.16658E-01 8824 0.240E+01 0.203E-01 RMM: 2 -0.324335039299E+03 -0.20534E-01 -0.16634E-01 5228 0.876E-01 0.886E-01 RMM: 3 -0.324328708451E+03 0.63308E-02 -0.15195E-02 5999 0.230E-01 0.168E-01 RMM: 4 -0.324328363091E+03 0.34536E-03 -0.87456E-04 4797 0.654E-02 0.131E-01 RMM: 5 -0.324328266189E+03 0.96902E-04 -0.13686E-04 3828 0.299E-02 0.799E-02 RMM: 6 -0.324328226285E+03 0.39904E-04 -0.32093E-05 2857 0.170E-02 0.409E-02 RMM: 7 -0.324328226874E+03 -0.58901E-06 -0.21005E-05 2536 0.138E-02 5494 T= 6678. E= 0.67560419E+03 F= 0.63194076E+03 E0= 0.66064200E+03 EK= 0.54379E+02 SP= -.11E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322807200136E+03 0.15210E+01 -0.16067E-01 8808 0.237E+01 0.200E-01 RMM: 2 -0.322826809877E+03 -0.19610E-01 -0.15715E-01 5238 0.857E-01 0.883E-01 RMM: 3 -0.322820603442E+03 0.62064E-02 -0.14478E-02 5923 0.230E-01 0.181E-01 RMM: 4 -0.322820234586E+03 0.36886E-03 -0.82696E-04 4893 0.614E-02 0.107E-01 RMM: 5 -0.322820172415E+03 0.62171E-04 -0.11703E-04 3814 0.274E-02 0.800E-02 RMM: 6 -0.322820135991E+03 0.36424E-04 -0.31641E-05 2829 0.172E-02 0.478E-02 RMM: 7 -0.322820140591E+03 -0.46002E-05 -0.30835E-05 2628 0.160E-02 5495 T= 6544. E= 0.67561164E+03 F= 0.63344885E+03 E0= 0.66211987E+03 EK= 0.53292E+02 SP= -.11E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321293221219E+03 0.15269E+01 -0.14559E-01 8720 0.235E+01 0.209E-01 RMM: 2 -0.321312045297E+03 -0.18824E-01 -0.13613E-01 5315 0.800E-01 0.993E-01 RMM: 3 -0.321304472901E+03 0.75724E-02 -0.11580E-02 5854 0.217E-01 0.196E-01 RMM: 4 -0.321304141777E+03 0.33112E-03 -0.85681E-04 4722 0.643E-02 0.114E-01 RMM: 5 -0.321304069086E+03 0.72691E-04 -0.12571E-04 3797 0.286E-02 0.773E-02 RMM: 6 -0.321304034138E+03 0.34948E-04 -0.29099E-05 2822 0.166E-02 0.418E-02 RMM: 7 -0.321304035416E+03 -0.12784E-05 -0.18128E-05 2522 0.129E-02 5496 T= 6409. E= 0.67561940E+03 F= 0.63496495E+03 E0= 0.66360527E+03 EK= 0.52188E+02 SP= -.12E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319876271646E+03 0.14278E+01 -0.13453E-01 8624 0.233E+01 0.193E-01 RMM: 2 -0.319892689762E+03 -0.16418E-01 -0.12444E-01 5330 0.766E-01 0.885E-01 RMM: 3 -0.319886559754E+03 0.61300E-02 -0.10886E-02 5798 0.212E-01 0.173E-01 RMM: 4 -0.319886306738E+03 0.25302E-03 -0.73288E-04 4886 0.561E-02 0.105E-01 RMM: 5 -0.319886236836E+03 0.69901E-04 -0.93941E-05 3657 0.249E-02 0.769E-02 RMM: 6 -0.319886205200E+03 0.31636E-04 -0.27513E-05 2705 0.162E-02 0.490E-02 RMM: 7 -0.319886203644E+03 0.15558E-05 -0.32199E-05 2643 0.162E-02 5497 T= 6284. E= 0.67562665E+03 F= 0.63638279E+03 E0= 0.66499225E+03 EK= 0.51176E+02 SP= -.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318656527708E+03 0.12297E+01 -0.12598E-01 8248 0.232E+01 0.207E-01 RMM: 2 -0.318673751436E+03 -0.17224E-01 -0.12116E-01 5161 0.788E-01 0.989E-01 RMM: 3 -0.318666681760E+03 0.70697E-02 -0.11978E-02 5865 0.217E-01 0.187E-01 RMM: 4 -0.318666348705E+03 0.33305E-03 -0.81587E-04 4722 0.630E-02 0.111E-01 RMM: 5 -0.318666287638E+03 0.61066E-04 -0.11526E-04 3757 0.279E-02 0.795E-02 RMM: 6 -0.318666251083E+03 0.36556E-04 -0.27494E-05 2709 0.163E-02 0.426E-02 RMM: 7 -0.318666250667E+03 0.41584E-06 -0.16849E-05 2510 0.126E-02 5498 T= 6184. E= 0.67563226E+03 F= 0.63760274E+03 E0= 0.66618180E+03 EK= 0.50361E+02 SP= -.13E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317713440259E+03 0.95281E+00 -0.11237E-01 8112 0.231E+01 0.183E-01 RMM: 2 -0.317727545282E+03 -0.14105E-01 -0.10628E-01 5152 0.737E-01 0.832E-01 RMM: 3 -0.317722310582E+03 0.52347E-02 -0.10571E-02 5810 0.208E-01 0.146E-01 RMM: 4 -0.317722104545E+03 0.20604E-03 -0.64835E-04 4863 0.539E-02 0.107E-01 RMM: 5 -0.317722030124E+03 0.74421E-04 -0.81805E-05 3606 0.242E-02 0.699E-02 RMM: 6 -0.317722006194E+03 0.23930E-04 -0.24731E-05 2593 0.153E-02 0.474E-02 RMM: 7 -0.317722002619E+03 0.35745E-05 -0.27371E-05 2617 0.152E-02 5499 T= 6119. E= 0.67563565E+03 F= 0.63854699E+03 E0= 0.66709624E+03 EK= 0.49826E+02 SP= -.13E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317091504044E+03 0.63050E+00 -0.11254E-01 7880 0.232E+01 0.196E-01 RMM: 2 -0.317106839709E+03 -0.15336E-01 -0.10378E-01 5077 0.754E-01 0.971E-01 RMM: 3 -0.317100161953E+03 0.66778E-02 -0.10948E-02 5785 0.210E-01 0.189E-01 RMM: 4 -0.317099832125E+03 0.32983E-03 -0.74558E-04 4753 0.604E-02 0.955E-02 RMM: 5 -0.317099785750E+03 0.46374E-04 -0.10310E-04 3725 0.263E-02 0.753E-02 RMM: 6 -0.317099753750E+03 0.32001E-04 -0.25181E-05 2611 0.156E-02 0.409E-02 RMM: 7 -0.317099752612E+03 0.11380E-05 -0.15939E-05 2500 0.122E-02 5500 T= 6093. E= 0.67563635E+03 F= 0.63916924E+03 E0= 0.66769008E+03 EK= 0.49621E+02 SP= -.14E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316802042775E+03 0.29771E+00 -0.11076E-01 7960 0.233E+01 0.172E-01 RMM: 2 -0.316813066743E+03 -0.11024E-01 -0.80239E-02 5239 0.657E-01 0.788E-01 RMM: 3 -0.316808447744E+03 0.46190E-02 -0.74749E-03 5719 0.180E-01 0.145E-01 RMM: 4 -0.316808287155E+03 0.16059E-03 -0.52767E-04 4643 0.499E-02 0.992E-02 RMM: 5 -0.316808227816E+03 0.59339E-04 -0.74699E-05 3533 0.237E-02 0.687E-02 RMM: 6 -0.316808201539E+03 0.26276E-04 -0.23298E-05 2580 0.152E-02 0.390E-02 RMM: 7 -0.316808200264E+03 0.12756E-05 -0.17165E-05 2511 0.122E-02 5501 T= 6110. E= 0.67563450E+03 F= 0.63946079E+03 E0= 0.66795533E+03 EK= 0.49759E+02 SP= -.14E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316811508628E+03 -0.33071E-02 -0.11748E-01 8104 0.236E+01 0.181E-01 RMM: 2 -0.316824059830E+03 -0.12551E-01 -0.88702E-02 5019 0.716E-01 0.862E-01 RMM: 3 -0.316818843825E+03 0.52160E-02 -0.96651E-03 5779 0.198E-01 0.168E-01 RMM: 4 -0.316818589831E+03 0.25399E-03 -0.60786E-04 4682 0.556E-02 0.950E-02 RMM: 5 -0.316818540774E+03 0.49057E-04 -0.88780E-05 3596 0.260E-02 0.712E-02 RMM: 6 -0.316818512407E+03 0.28367E-04 -0.24712E-05 2577 0.154E-02 0.386E-02 RMM: 7 -0.316818511299E+03 0.11076E-05 -0.16222E-05 2496 0.123E-02 5502 T= 6166. E= 0.67563066E+03 F= 0.63945048E+03 E0= 0.66792248E+03 EK= 0.50213E+02 SP= -.14E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317068062584E+03 -0.24955E+00 -0.11713E-01 8064 0.239E+01 0.159E-01 RMM: 2 -0.317078232049E+03 -0.10169E-01 -0.84022E-02 4992 0.695E-01 0.661E-01 RMM: 3 -0.317075007621E+03 0.32244E-02 -0.90182E-03 5823 0.191E-01 0.124E-01 RMM: 4 -0.317074858787E+03 0.14883E-03 -0.48721E-04 4586 0.506E-02 0.111E-01 RMM: 5 -0.317074781223E+03 0.77564E-04 -0.79227E-05 3536 0.266E-02 0.607E-02 RMM: 6 -0.317074761255E+03 0.19968E-04 -0.22738E-05 2551 0.144E-02 5503 T= 6254. E= 0.67562574E+03 F= 0.63919423E+03 E0= 0.66764831E+03 EK= 0.50929E+02 SP= -.15E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317498026304E+03 -0.42325E+00 -0.11876E-01 8104 0.242E+01 0.190E-01 RMM: 2 -0.317512839582E+03 -0.14813E-01 -0.97511E-02 4911 0.750E-01 0.971E-01 RMM: 3 -0.317506184963E+03 0.66546E-02 -0.11137E-02 5580 0.221E-01 0.195E-01 RMM: 4 -0.317505863755E+03 0.32121E-03 -0.74204E-04 4803 0.589E-02 0.818E-02 RMM: 5 -0.317505819223E+03 0.44532E-04 -0.94176E-05 3805 0.264E-02 0.684E-02 RMM: 6 -0.317505799530E+03 0.19693E-04 -0.23130E-05 2557 0.143E-02 5504 T= 6365. E= 0.67562093E+03 F= 0.63876319E+03 E0= 0.66720547E+03 EK= 0.51837E+02 SP= -.15E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318030562152E+03 -0.52474E+00 -0.11935E-01 7672 0.246E+01 0.314E-01 RMM: 2 -0.318061664167E+03 -0.31102E-01 -0.99195E-02 4953 0.789E-01 0.184E+00 RMM: 3 -0.318038141897E+03 0.23522E-01 -0.14737E-02 5381 0.292E-01 0.292E-01 RMM: 4 -0.318037539731E+03 0.60217E-03 -0.15865E-03 4846 0.836E-02 0.101E-01 RMM: 5 -0.318037503912E+03 0.35819E-04 -0.18344E-04 4007 0.312E-02 0.988E-02 RMM: 6 -0.318037443575E+03 0.60338E-04 -0.35957E-05 2855 0.185E-02 0.546E-02 RMM: 7 -0.318037445540E+03 -0.19654E-05 -0.27874E-05 2608 0.163E-02 5505 T= 6491. E= 0.67561597E+03 F= 0.63823154E+03 E0= 0.66666905E+03 EK= 0.52859E+02 SP= -.16E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318592696229E+03 -0.55525E+00 -0.11912E-01 7808 0.249E+01 0.257E-01 RMM: 2 -0.318612011979E+03 -0.19316E-01 -0.88144E-02 4902 0.726E-01 0.132E+00 RMM: 3 -0.318599637212E+03 0.12375E-01 -0.11569E-02 5371 0.251E-01 0.270E-01 RMM: 4 -0.318599216196E+03 0.42102E-03 -0.13457E-03 4834 0.805E-02 0.129E-01 RMM: 5 -0.318599209277E+03 0.69186E-05 -0.20969E-04 3885 0.370E-02 0.135E-01 RMM: 6 -0.318599089809E+03 0.11947E-03 -0.62843E-05 3363 0.236E-02 0.333E-02 RMM: 7 -0.318599089757E+03 0.51892E-07 -0.18345E-05 2526 0.132E-02 5506 T= 6622. E= 0.67561142E+03 F= 0.63766990E+03 E0= 0.66610987E+03 EK= 0.53922E+02 SP= -.16E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319118480006E+03 -0.51939E+00 -0.12541E-01 7624 0.251E+01 0.204E-01 RMM: 2 -0.319133198969E+03 -0.14719E-01 -0.98900E-02 4907 0.761E-01 0.982E-01 RMM: 3 -0.319126663255E+03 0.65357E-02 -0.11548E-02 5565 0.226E-01 0.167E-01 RMM: 4 -0.319126454174E+03 0.20908E-03 -0.77268E-04 4767 0.594E-02 0.108E-01 RMM: 5 -0.319126374246E+03 0.79927E-04 -0.11160E-04 3812 0.284E-02 0.746E-02 RMM: 6 -0.319126341178E+03 0.33068E-04 -0.30307E-05 2695 0.165E-02 0.461E-02 RMM: 7 -0.319126336128E+03 0.50504E-05 -0.26437E-05 2564 0.156E-02 5507 T= 6749. E= 0.67560751E+03 F= 0.63714265E+03 E0= 0.66559068E+03 EK= 0.54957E+02 SP= -.17E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319556652190E+03 -0.43031E+00 -0.12774E-01 7792 0.253E+01 0.173E-01 RMM: 2 -0.319568974859E+03 -0.12323E-01 -0.95852E-02 4870 0.750E-01 0.765E-01 RMM: 3 -0.319564894607E+03 0.40803E-02 -0.11475E-02 5815 0.207E-01 0.154E-01 RMM: 4 -0.319564646778E+03 0.24783E-03 -0.61937E-04 4696 0.573E-02 0.106E-01 RMM: 5 -0.319564578977E+03 0.67801E-04 -0.96398E-05 3613 0.275E-02 0.664E-02 RMM: 6 -0.319564556780E+03 0.22198E-04 -0.24346E-05 2554 0.147E-02 0.409E-02 RMM: 7 -0.319564555845E+03 0.93510E-06 -0.20689E-05 2517 0.140E-02 5508 T= 6865. E= 0.67560411E+03 F= 0.63670443E+03 E0= 0.66516709E+03 EK= 0.55902E+02 SP= -.17E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319862309514E+03 -0.29775E+00 -0.13749E-01 7712 0.254E+01 0.183E-01 RMM: 2 -0.319877648057E+03 -0.15339E-01 -0.13128E-01 4771 0.871E-01 0.748E-01 RMM: 3 -0.319873728834E+03 0.39192E-02 -0.15827E-02 6000 0.231E-01 0.134E-01 RMM: 4 -0.319873454722E+03 0.27411E-03 -0.73408E-04 4781 0.640E-02 0.138E-01 RMM: 5 -0.319873338513E+03 0.11621E-03 -0.12394E-04 3738 0.307E-02 0.739E-02 RMM: 6 -0.319873308602E+03 0.29910E-04 -0.31154E-05 2679 0.167E-02 0.390E-02 RMM: 7 -0.319873304719E+03 0.38832E-05 -0.20881E-05 2512 0.140E-02 5509 T= 6964. E= 0.67560227E+03 F= 0.63639568E+03 E0= 0.66487783E+03 EK= 0.56712E+02 SP= -.18E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320022328782E+03 -0.14902E+00 -0.13129E-01 7648 0.255E+01 0.187E-01 RMM: 2 -0.320036763222E+03 -0.14434E-01 -0.11163E-01 4935 0.795E-01 0.824E-01 RMM: 3 -0.320031920341E+03 0.48429E-02 -0.12860E-02 5920 0.211E-01 0.156E-01 RMM: 4 -0.320031614706E+03 0.30564E-03 -0.65672E-04 4693 0.603E-02 0.117E-01 RMM: 5 -0.320031532077E+03 0.82629E-04 -0.10591E-04 3700 0.277E-02 0.744E-02 RMM: 6 -0.320031505809E+03 0.26267E-04 -0.27370E-05 2580 0.157E-02 0.478E-02 RMM: 7 -0.320031505634E+03 0.17503E-06 -0.30605E-05 2628 0.162E-02 5510 T= 7044. E= 0.67560192E+03 F= 0.63623748E+03 E0= 0.66474390E+03 EK= 0.57361E+02 SP= -.18E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320030089271E+03 0.14165E-02 -0.13181E-01 7704 0.255E+01 0.184E-01 RMM: 2 -0.320043532201E+03 -0.13443E-01 -0.11602E-01 4914 0.807E-01 0.707E-01 RMM: 3 -0.320040000557E+03 0.35316E-02 -0.13228E-02 5985 0.212E-01 0.135E-01 RMM: 4 -0.320039757974E+03 0.24258E-03 -0.65370E-04 4700 0.601E-02 0.135E-01 RMM: 5 -0.320039647724E+03 0.11025E-03 -0.11321E-04 3699 0.291E-02 0.723E-02 RMM: 6 -0.320039620074E+03 0.27650E-04 -0.28386E-05 2662 0.162E-02 0.383E-02 RMM: 7 -0.320039621194E+03 -0.11204E-05 -0.21671E-05 2529 0.140E-02 5511 T= 7103. E= 0.67560283E+03 F= 0.63622937E+03 E0= 0.66476459E+03 EK= 0.57843E+02 SP= -.19E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319909936960E+03 0.12968E+00 -0.12521E-01 7632 0.255E+01 0.196E-01 RMM: 2 -0.319923828670E+03 -0.13892E-01 -0.10491E-01 5057 0.770E-01 0.853E-01 RMM: 3 -0.319918783933E+03 0.50447E-02 -0.11638E-02 5874 0.203E-01 0.160E-01 RMM: 4 -0.319918506742E+03 0.27719E-03 -0.66351E-04 4671 0.599E-02 0.123E-01 RMM: 5 -0.319918415400E+03 0.91342E-04 -0.10787E-04 3675 0.270E-02 0.773E-02 RMM: 6 -0.319918384253E+03 0.31147E-04 -0.28582E-05 2720 0.164E-02 0.449E-02 RMM: 7 -0.319918383846E+03 0.40746E-06 -0.25245E-05 2554 0.146E-02 5512 T= 7144. E= 0.67560516E+03 F= 0.63635061E+03 E0= 0.66491860E+03 EK= 0.58176E+02 SP= -.19E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319698419566E+03 0.21996E+00 -0.12813E-01 7608 0.254E+01 0.178E-01 RMM: 2 -0.319711021259E+03 -0.12602E-01 -0.10528E-01 5027 0.770E-01 0.717E-01 RMM: 3 -0.319707418394E+03 0.36029E-02 -0.11648E-02 5946 0.200E-01 0.144E-01 RMM: 4 -0.319707171831E+03 0.24656E-03 -0.57773E-04 4679 0.558E-02 0.117E-01 RMM: 5 -0.319707085108E+03 0.86722E-04 -0.93294E-05 3576 0.262E-02 0.698E-02 RMM: 6 -0.319707060593E+03 0.24515E-04 -0.26604E-05 2611 0.160E-02 0.399E-02 RMM: 7 -0.319707063401E+03 -0.28077E-05 -0.23556E-05 2543 0.142E-02 5513 T= 7171. E= 0.67560816E+03 F= 0.63656193E+03 E0= 0.66516588E+03 EK= 0.58394E+02 SP= -.20E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319446832260E+03 0.26023E+00 -0.12608E-01 7720 0.252E+01 0.184E-01 RMM: 2 -0.319460245499E+03 -0.13413E-01 -0.10524E-01 4916 0.780E-01 0.794E-01 RMM: 3 -0.319455892338E+03 0.43532E-02 -0.12204E-02 5920 0.208E-01 0.152E-01 RMM: 4 -0.319455634460E+03 0.25788E-03 -0.63098E-04 4676 0.595E-02 0.120E-01 RMM: 5 -0.319455551513E+03 0.82947E-04 -0.10492E-04 3619 0.277E-02 0.746E-02 RMM: 6 -0.319455521668E+03 0.29845E-04 -0.29690E-05 2759 0.168E-02 0.393E-02 RMM: 7 -0.319455524593E+03 -0.29250E-05 -0.21821E-05 2524 0.140E-02 5514 T= 7189. E= 0.67561091E+03 F= 0.63681346E+03 E0= 0.66545504E+03 EK= 0.58544E+02 SP= -.20E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319206278777E+03 0.24924E+00 -0.12136E-01 7608 0.251E+01 0.161E-01 RMM: 2 -0.319217373101E+03 -0.11094E-01 -0.94653E-02 4968 0.727E-01 0.653E-01 RMM: 3 -0.319214280394E+03 0.30927E-02 -0.10194E-02 5901 0.195E-01 0.127E-01 RMM: 4 -0.319214129540E+03 0.15085E-03 -0.49668E-04 4620 0.509E-02 0.113E-01 RMM: 5 -0.319214042632E+03 0.86908E-04 -0.80673E-05 3493 0.251E-02 0.635E-02 RMM: 6 -0.319214023624E+03 0.19008E-04 -0.25632E-05 2564 0.153E-02 5515 T= 7205. E= 0.67561368E+03 F= 0.63705497E+03 E0= 0.66573423E+03 EK= 0.58677E+02 SP= -.20E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319015525424E+03 0.19852E+00 -0.12807E-01 7568 0.251E+01 0.165E-01 RMM: 2 -0.319030466212E+03 -0.14941E-01 -0.11436E-01 4887 0.792E-01 0.822E-01 RMM: 3 -0.319025579867E+03 0.48863E-02 -0.12987E-02 5744 0.221E-01 0.150E-01 RMM: 4 -0.319025335901E+03 0.24397E-03 -0.66806E-04 4776 0.560E-02 0.912E-02 RMM: 5 -0.319025280022E+03 0.55879E-04 -0.88412E-05 3754 0.257E-02 0.612E-02 RMM: 6 -0.319025268067E+03 0.11954E-04 -0.25377E-05 2557 0.152E-02 5516 T= 7224. E= 0.67561604E+03 F= 0.63724372E+03 E0= 0.66595899E+03 EK= 0.58832E+02 SP= -.21E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318909630574E+03 0.11565E+00 -0.12316E-01 7512 0.251E+01 0.320E-01 RMM: 2 -0.318941237942E+03 -0.31607E-01 -0.10667E-01 4883 0.809E-01 0.183E+00 RMM: 3 -0.318917950786E+03 0.23287E-01 -0.15862E-02 5411 0.300E-01 0.306E-01 RMM: 4 -0.318917278440E+03 0.67235E-03 -0.17147E-03 4927 0.853E-02 0.872E-02 RMM: 5 -0.318917283582E+03 -0.51423E-05 -0.20104E-04 3982 0.322E-02 0.109E-01 RMM: 6 -0.318917210050E+03 0.73532E-04 -0.41031E-05 3025 0.191E-02 0.439E-02 RMM: 7 -0.318917214882E+03 -0.48318E-05 -0.21227E-05 2539 0.140E-02 5517 T= 7250. E= 0.67561689E+03 F= 0.63735177E+03 E0= 0.66609968E+03 EK= 0.59037E+02 SP= -.21E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318888986814E+03 0.28223E-01 -0.12704E-01 7656 0.251E+01 0.294E-01 RMM: 2 -0.318916938335E+03 -0.27952E-01 -0.11763E-01 4808 0.833E-01 0.163E+00 RMM: 3 -0.318898594786E+03 0.18344E-01 -0.15915E-02 5406 0.291E-01 0.317E-01 RMM: 4 -0.318897914993E+03 0.67979E-03 -0.17218E-03 5016 0.870E-02 0.106E-01 RMM: 5 -0.318897943367E+03 -0.28373E-04 -0.24648E-04 3911 0.370E-02 0.126E-01 RMM: 6 -0.318897834549E+03 0.10882E-03 -0.61135E-05 3352 0.225E-02 0.403E-02 RMM: 7 -0.318897829996E+03 0.45533E-05 -0.17314E-05 2519 0.126E-02 5518 T= 7282. E= 0.67561703E+03 F= 0.63737116E+03 E0= 0.66614691E+03 EK= 0.59299E+02 SP= -.21E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318949031582E+03 -0.51197E-01 -0.13200E-01 7664 0.252E+01 0.262E-01 RMM: 2 -0.318974067997E+03 -0.25036E-01 -0.13832E-01 4770 0.897E-01 0.137E+00 RMM: 3 -0.318960762184E+03 0.13306E-01 -0.17322E-02 5508 0.283E-01 0.258E-01 RMM: 4 -0.318960252458E+03 0.50973E-03 -0.14059E-03 4916 0.779E-02 0.930E-02 RMM: 5 -0.318960225233E+03 0.27225E-04 -0.18707E-04 4020 0.323E-02 0.981E-02 RMM: 6 -0.318960167375E+03 0.57858E-04 -0.39098E-05 2973 0.185E-02 0.463E-02 RMM: 7 -0.318960168615E+03 -0.12405E-05 -0.20613E-05 2528 0.141E-02 5519 T= 7320. E= 0.67561673E+03 F= 0.63730882E+03 E0= 0.66610612E+03 EK= 0.59610E+02 SP= -.21E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319077776790E+03 -0.11761E+00 -0.13365E-01 7784 0.253E+01 0.251E-01 RMM: 2 -0.319098039219E+03 -0.20262E-01 -0.13226E-01 4890 0.864E-01 0.115E+00 RMM: 3 -0.319088764666E+03 0.92746E-02 -0.15927E-02 5573 0.267E-01 0.231E-01 RMM: 4 -0.319088343877E+03 0.42079E-03 -0.12236E-03 4919 0.713E-02 0.103E-01 RMM: 5 -0.319088318753E+03 0.25124E-04 -0.16403E-04 3882 0.337E-02 0.963E-02 RMM: 6 -0.319088257060E+03 0.61693E-04 -0.40924E-05 3041 0.187E-02 0.422E-02 RMM: 7 -0.319088259679E+03 -0.26196E-05 -0.22122E-05 2542 0.150E-02 5520 T= 7362. E= 0.67561618E+03 F= 0.63718073E+03 E0= 0.66599351E+03 EK= 0.59953E+02 SP= -.22E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319249878321E+03 -0.16162E+00 -0.14325E-01 7776 0.254E+01 0.238E-01 RMM: 2 -0.319270832340E+03 -0.20954E-01 -0.14619E-01 4832 0.913E-01 0.110E+00 RMM: 3 -0.319262348080E+03 0.84843E-02 -0.17601E-02 5792 0.263E-01 0.207E-01 RMM: 4 -0.319261912806E+03 0.43527E-03 -0.11074E-03 4861 0.736E-02 0.123E-01 RMM: 5 -0.319261839560E+03 0.73246E-04 -0.16580E-04 3925 0.316E-02 0.974E-02 RMM: 6 -0.319261783763E+03 0.55797E-04 -0.41872E-05 3061 0.192E-02 0.452E-02 RMM: 7 -0.319261784345E+03 -0.58253E-06 -0.20022E-05 2527 0.137E-02 5521 T= 7405. E= 0.67561571E+03 F= 0.63700720E+03 E0= 0.66582843E+03 EK= 0.60305E+02 SP= -.22E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319452648220E+03 -0.19086E+00 -0.14557E-01 7744 0.255E+01 0.232E-01 RMM: 2 -0.319473022923E+03 -0.20375E-01 -0.14298E-01 4984 0.885E-01 0.108E+00 RMM: 3 -0.319464782974E+03 0.82399E-02 -0.16210E-02 5818 0.249E-01 0.221E-01 RMM: 4 -0.319464298722E+03 0.48425E-03 -0.10089E-03 4867 0.696E-02 0.111E-01 RMM: 5 -0.319464237993E+03 0.60728E-04 -0.14881E-04 3936 0.302E-02 0.872E-02 RMM: 6 -0.319464196310E+03 0.41684E-04 -0.35628E-05 2934 0.179E-02 0.501E-02 RMM: 7 -0.319464201762E+03 -0.54524E-05 -0.25240E-05 2574 0.149E-02 5522 T= 7447. E= 0.67561594E+03 F= 0.63680479E+03 E0= 0.66562757E+03 EK= 0.60648E+02 SP= -.22E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319676435618E+03 -0.21224E+00 -0.15255E-01 7760 0.256E+01 0.224E-01 RMM: 2 -0.319697837079E+03 -0.21401E-01 -0.16420E-01 4940 0.947E-01 0.101E+00 RMM: 3 -0.319690664245E+03 0.71728E-02 -0.19102E-02 5990 0.252E-01 0.172E-01 RMM: 4 -0.319690270448E+03 0.39380E-03 -0.99289E-04 4843 0.726E-02 0.147E-01 RMM: 5 -0.319690140342E+03 0.13011E-03 -0.15927E-04 3892 0.315E-02 0.855E-02 RMM: 6 -0.319690100006E+03 0.40336E-04 -0.38959E-05 3014 0.183E-02 0.436E-02 RMM: 7 -0.319690102400E+03 -0.23934E-05 -0.22553E-05 2547 0.141E-02 5523 T= 7487. E= 0.67561673E+03 F= 0.63657889E+03 E0= 0.66539552E+03 EK= 0.60974E+02 SP= -.22E+02 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319931448615E+03 -0.24135E+00 -0.15445E-01 7760 0.256E+01 0.226E-01 RMM: 2 -0.319952459797E+03 -0.21011E-01 -0.15524E-01 5040 0.915E-01 0.105E+00 RMM: 3 -0.319944604397E+03 0.78554E-02 -0.16769E-02 5916 0.247E-01 0.205E-01 RMM: 4 -0.319944158743E+03 0.44565E-03 -0.99006E-04 4863 0.705E-02 0.128E-01 RMM: 5 -0.319944062010E+03 0.96734E-04 -0.15104E-04 3931 0.298E-02 0.877E-02 RMM: 6 -0.319944020433E+03 0.41576E-04 -0.37211E-05 2965 0.184E-02 0.491E-02 RMM: 7 -0.319944022571E+03 -0.21379E-05 -0.25871E-05 2571 0.147E-02 5524 T= 7526. E= 0.67561835E+03 F= 0.63632497E+03 E0= 0.66512826E+03 EK= 0.61286E+02 SP= -.22E+02 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320228094442E+03 -0.28407E+00 -0.15044E-01 7752 0.255E+01 0.225E-01 RMM: 2 -0.320247616839E+03 -0.19522E-01 -0.14989E-01 5028 0.904E-01 0.981E-01 RMM: 3 -0.320240774068E+03 0.68428E-02 -0.16413E-02 5948 0.243E-01 0.175E-01 RMM: 4 -0.320240416852E+03 0.35722E-03 -0.91195E-04 4810 0.681E-02 0.138E-01 RMM: 5 -0.320240307054E+03 0.10980E-03 -0.14107E-04 3881 0.310E-02 0.805E-02 RMM: 6 -0.320240271465E+03 0.35589E-04 -0.33659E-05 2882 0.174E-02 0.428E-02 RMM: 7 -0.320240274666E+03 -0.32008E-05 -0.27701E-05 2565 0.156E-02 5525 T= 7564. E= 0.67561979E+03 F= 0.63602871E+03 E0= 0.66481156E+03 EK= 0.61594E+02 SP= -.22E+02 SK= 0.24E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.320585232737E+03 -0.34496E+00 -0.15104E-01 7648 0.255E+01 0.234E-01 RMM: 2 -0.320605214013E+03 -0.19981E-01 -0.14478E-01 5078 0.888E-01 0.104E+00 RMM: 3 -0.320597425191E+03 0.77888E-02 -0.15481E-02 5839 0.243E-01 0.236E-01 RMM: 4 -0.320596908596E+03 0.51660E-03 -0.10626E-03 4768 0.740E-02 0.122E-01 RMM: 5 -0.320596833287E+03 0.75309E-04 -0.16174E-04 3889 0.309E-02 0.977E-02 RMM: 6 -0.320596777847E+03 0.55440E-04 -0.40835E-05 3046 0.196E-02 0.434E-02 RMM: 7 -0.320596778122E+03 -0.27516E-06 -0.19510E-05 2518 0.131E-02 5526 T= 7603. E= 0.67562058E+03 F= 0.63567221E+03 E0= 0.66442896E+03 EK= 0.61915E+02 SP= -.22E+02 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321010667391E+03 -0.41389E+00 -0.14667E-01 7904 0.255E+01 0.228E-01 RMM: 2 -0.321030316573E+03 -0.19649E-01 -0.13970E-01 4949 0.888E-01 0.106E+00 RMM: 3 -0.321022461742E+03 0.78548E-02 -0.15845E-02 5801 0.253E-01 0.208E-01 RMM: 4 -0.321022034816E+03 0.42693E-03 -0.95899E-04 4832 0.680E-02 0.107E-01 RMM: 5 -0.321021976010E+03 0.58806E-04 -0.13914E-04 3896 0.312E-02 0.838E-02 RMM: 6 -0.321021936675E+03 0.39335E-04 -0.33972E-05 2850 0.174E-02 0.457E-02 RMM: 7 -0.321021939258E+03 -0.25827E-05 -0.27564E-05 2567 0.159E-02 5527 T= 7645. E= 0.67561973E+03 F= 0.63524705E+03 E0= 0.66397357E+03 EK= 0.62253E+02 SP= -.22E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321489989856E+03 -0.46805E+00 -0.14491E-01 7872 0.255E+01 0.229E-01 RMM: 2 -0.321509882526E+03 -0.19893E-01 -0.14073E-01 4989 0.880E-01 0.106E+00 RMM: 3 -0.321501793562E+03 0.80890E-02 -0.15571E-02 5789 0.253E-01 0.218E-01 RMM: 4 -0.321501369765E+03 0.42380E-03 -0.10380E-03 4789 0.717E-02 0.122E-01 RMM: 5 -0.321501292479E+03 0.77286E-04 -0.15613E-04 3906 0.322E-02 0.943E-02 RMM: 6 -0.321501240767E+03 0.51712E-04 -0.40880E-05 3046 0.193E-02 0.462E-02 RMM: 7 -0.321501241102E+03 -0.33517E-06 -0.21615E-05 2537 0.141E-02 5528 T= 7686. E= 0.67561663E+03 F= 0.63476775E+03 E0= 0.66346235E+03 EK= 0.62591E+02 SP= -.22E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321980183524E+03 -0.47894E+00 -0.14988E-01 8136 0.256E+01 0.228E-01 RMM: 2 -0.322001476235E+03 -0.21293E-01 -0.15474E-01 4837 0.926E-01 0.107E+00 RMM: 3 -0.321993387163E+03 0.80891E-02 -0.17845E-02 5783 0.272E-01 0.226E-01 RMM: 4 -0.321992880677E+03 0.50649E-03 -0.10655E-03 4934 0.712E-02 0.105E-01 RMM: 5 -0.321992826476E+03 0.54201E-04 -0.15080E-04 3948 0.327E-02 0.884E-02 RMM: 6 -0.321992784391E+03 0.42085E-04 -0.34438E-05 2839 0.174E-02 0.546E-02 RMM: 7 -0.321992781300E+03 0.30910E-05 -0.34210E-05 2745 0.177E-02 5529 T= 7722. E= 0.67561275E+03 F= 0.63427621E+03 E0= 0.66293910E+03 EK= 0.62886E+02 SP= -.22E+02 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322422805768E+03 -0.43002E+00 -0.16056E-01 7992 0.257E+01 0.200E-01 RMM: 2 -0.322443139706E+03 -0.20334E-01 -0.16396E-01 4909 0.938E-01 0.905E-01 RMM: 3 -0.322436972698E+03 0.61670E-02 -0.18235E-02 5978 0.262E-01 0.183E-01 RMM: 4 -0.322436550264E+03 0.42243E-03 -0.93413E-04 4798 0.707E-02 0.124E-01 RMM: 5 -0.322436460283E+03 0.89981E-04 -0.13870E-04 3879 0.322E-02 0.841E-02 RMM: 6 -0.322436426472E+03 0.33811E-04 -0.32507E-05 2766 0.171E-02 0.548E-02 RMM: 7 -0.322436422678E+03 0.37936E-05 -0.29083E-05 2635 0.161E-02 5530 T= 7746. E= 0.67560766E+03 F= 0.63383257E+03 E0= 0.66246560E+03 EK= 0.63075E+02 SP= -.21E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322751951587E+03 -0.31553E+00 -0.16572E-01 8504 0.258E+01 0.196E-01 RMM: 2 -0.322772033058E+03 -0.20081E-01 -0.16600E-01 4958 0.927E-01 0.868E-01 RMM: 3 -0.322766329946E+03 0.57031E-02 -0.17844E-02 5927 0.261E-01 0.200E-01 RMM: 4 -0.322765875512E+03 0.45443E-03 -0.89877E-04 4857 0.675E-02 0.113E-01 RMM: 5 -0.322765798763E+03 0.76749E-04 -0.13082E-04 3872 0.313E-02 0.823E-02 RMM: 6 -0.322765771544E+03 0.27220E-04 -0.30351E-05 2668 0.163E-02 0.642E-02 RMM: 7 -0.322765762354E+03 0.91898E-05 -0.42885E-05 2943 0.190E-02 5531 T= 7748. E= 0.67560319E+03 F= 0.63350323E+03 E0= 0.66210795E+03 EK= 0.63094E+02 SP= -.21E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322912023434E+03 -0.14625E+00 -0.17320E-01 8728 0.258E+01 0.208E-01 RMM: 2 -0.322934335385E+03 -0.22312E-01 -0.16970E-01 5066 0.919E-01 0.101E+00 RMM: 3 -0.322926457309E+03 0.78781E-02 -0.17192E-02 5799 0.264E-01 0.201E-01 RMM: 4 -0.322926077336E+03 0.37997E-03 -0.10552E-03 4808 0.717E-02 0.114E-01 RMM: 5 -0.322926000286E+03 0.77050E-04 -0.14891E-04 3941 0.305E-02 0.814E-02 RMM: 6 -0.322925973273E+03 0.27013E-04 -0.31045E-05 2769 0.166E-02 0.584E-02 RMM: 7 -0.322925974955E+03 -0.16824E-05 -0.29775E-05 2638 0.165E-02 5532 T= 7723. E= 0.67560052E+03 F= 0.63334301E+03 E0= 0.66192106E+03 EK= 0.62889E+02 SP= -.21E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322866687911E+03 0.59285E-01 -0.18189E-01 8784 0.258E+01 0.211E-01 RMM: 2 -0.322890165131E+03 -0.23477E-01 -0.18934E-01 5130 0.949E-01 0.962E-01 RMM: 3 -0.322882620119E+03 0.75450E-02 -0.17898E-02 5951 0.260E-01 0.201E-01 RMM: 4 -0.322882165381E+03 0.45474E-03 -0.10022E-03 4841 0.704E-02 0.124E-01 RMM: 5 -0.322882085315E+03 0.80066E-04 -0.15110E-04 3888 0.326E-02 0.866E-02 RMM: 6 -0.322882048145E+03 0.37170E-04 -0.38334E-05 2973 0.183E-02 0.570E-02 RMM: 7 -0.322882048318E+03 -0.17328E-06 -0.35841E-05 2710 0.179E-02 5533 T= 7666. E= 0.67559946E+03 F= 0.63338694E+03 E0= 0.66193724E+03 EK= 0.62428E+02 SP= -.20E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322607264066E+03 0.27478E+00 -0.19220E-01 8848 0.257E+01 0.229E-01 RMM: 2 -0.322633625358E+03 -0.26361E-01 -0.19583E-01 5145 0.953E-01 0.112E+00 RMM: 3 -0.322623572402E+03 0.10053E-01 -0.17993E-02 5805 0.268E-01 0.226E-01 RMM: 4 -0.322623076796E+03 0.49561E-03 -0.11776E-03 4824 0.756E-02 0.112E-01 RMM: 5 -0.322623018944E+03 0.57852E-04 -0.16917E-04 4035 0.314E-02 0.917E-02 RMM: 6 -0.322622974962E+03 0.43982E-04 -0.37905E-05 2989 0.183E-02 0.514E-02 RMM: 7 -0.322622981705E+03 -0.67425E-05 -0.27439E-05 2610 0.156E-02 5534 T= 7577. E= 0.67560008E+03 F= 0.63364601E+03 E0= 0.66216723E+03 EK= 0.61705E+02 SP= -.20E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322147742541E+03 0.47523E+00 -0.20586E-01 8920 0.256E+01 0.250E-01 RMM: 2 -0.322175658355E+03 -0.27916E-01 -0.19584E-01 5388 0.928E-01 0.122E+00 RMM: 3 -0.322163613302E+03 0.12045E-01 -0.15631E-02 5757 0.258E-01 0.237E-01 RMM: 4 -0.322163143220E+03 0.47008E-03 -0.12207E-03 4838 0.747E-02 0.118E-01 RMM: 5 -0.322163089978E+03 0.53242E-04 -0.18248E-04 3913 0.334E-02 0.981E-02 RMM: 6 -0.322163034354E+03 0.55624E-04 -0.46540E-05 3134 0.201E-02 0.515E-02 RMM: 7 -0.322163036896E+03 -0.25417E-05 -0.22602E-05 2554 0.144E-02 5535 T= 7459. E= 0.67560160E+03 F= 0.63410595E+03 E0= 0.66259444E+03 EK= 0.60740E+02 SP= -.20E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321518665259E+03 0.64437E+00 -0.22515E-01 9064 0.255E+01 0.270E-01 RMM: 2 -0.321548371411E+03 -0.29706E-01 -0.20508E-01 5231 0.962E-01 0.127E+00 RMM: 3 -0.321535529050E+03 0.12842E-01 -0.17390E-02 5663 0.279E-01 0.258E-01 RMM: 4 -0.321534999965E+03 0.52908E-03 -0.14182E-03 4893 0.795E-02 0.117E-01 RMM: 5 -0.321534950202E+03 0.49763E-04 -0.20592E-04 4018 0.341E-02 0.104E-01 RMM: 6 -0.321534886296E+03 0.63906E-04 -0.51756E-05 3203 0.208E-02 0.491E-02 RMM: 7 -0.321534893496E+03 -0.72000E-05 -0.25956E-05 2588 0.154E-02 5536 T= 7316. E= 0.67560439E+03 F= 0.63473410E+03 E0= 0.66318790E+03 EK= 0.59576E+02 SP= -.19E+02 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320773092730E+03 0.76179E+00 -0.22246E-01 9040 0.253E+01 0.281E-01 RMM: 2 -0.320803782545E+03 -0.30690E-01 -0.20663E-01 5394 0.953E-01 0.134E+00 RMM: 3 -0.320789990229E+03 0.13792E-01 -0.17010E-02 5673 0.271E-01 0.260E-01 RMM: 4 -0.320789426938E+03 0.56329E-03 -0.14480E-03 4891 0.794E-02 0.126E-01 RMM: 5 -0.320789378578E+03 0.48360E-04 -0.22156E-04 3918 0.370E-02 0.109E-01 RMM: 6 -0.320789303152E+03 0.75425E-04 -0.63115E-05 3340 0.226E-02 0.512E-02 RMM: 7 -0.320789310111E+03 -0.69589E-05 -0.27096E-05 2595 0.156E-02 5537 T= 7156. E= 0.67560793E+03 F= 0.63547968E+03 E0= 0.66389720E+03 EK= 0.58272E+02 SP= -.19E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319976968843E+03 0.81233E+00 -0.23217E-01 8904 0.251E+01 0.297E-01 RMM: 2 -0.320010415888E+03 -0.33447E-01 -0.21414E-01 5324 0.988E-01 0.143E+00 RMM: 3 -0.319994749634E+03 0.15666E-01 -0.18660E-02 5550 0.291E-01 0.288E-01 RMM: 4 -0.319994106462E+03 0.64317E-03 -0.16916E-03 4930 0.849E-02 0.125E-01 RMM: 5 -0.319994046059E+03 0.60404E-04 -0.23840E-04 3964 0.368E-02 0.110E-01 RMM: 6 -0.319993970401E+03 0.75658E-04 -0.61245E-05 3320 0.223E-02 0.511E-02 RMM: 7 -0.319993981953E+03 -0.11552E-04 -0.32641E-05 2757 0.171E-02 5538 T= 6988. E= 0.67561209E+03 F= 0.63627501E+03 E0= 0.66465928E+03 EK= 0.56904E+02 SP= -.18E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319219945469E+03 0.77402E+00 -0.22595E-01 9016 0.249E+01 0.282E-01 RMM: 2 -0.319251389709E+03 -0.31444E-01 -0.20013E-01 5401 0.945E-01 0.141E+00 RMM: 3 -0.319236382141E+03 0.15008E-01 -0.16134E-02 5553 0.275E-01 0.295E-01 RMM: 4 -0.319235747954E+03 0.63419E-03 -0.15532E-03 4864 0.827E-02 0.122E-01 RMM: 5 -0.319235697957E+03 0.49997E-04 -0.22426E-04 3907 0.368E-02 0.111E-01 RMM: 6 -0.319235624890E+03 0.73068E-04 -0.62040E-05 3328 0.223E-02 0.584E-02 RMM: 7 -0.319235635093E+03 -0.10203E-04 -0.32552E-05 2751 0.171E-02 5539 T= 6824. E= 0.67561850E+03 F= 0.63703335E+03 E0= 0.66538937E+03 EK= 0.55569E+02 SP= -.18E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318618513224E+03 0.61711E+00 -0.21501E-01 8968 0.246E+01 0.280E-01 RMM: 2 -0.318647006630E+03 -0.28493E-01 -0.18502E-01 5591 0.908E-01 0.132E+00 RMM: 3 -0.318633711623E+03 0.13295E-01 -0.14939E-02 5456 0.270E-01 0.270E-01 RMM: 4 -0.318633227878E+03 0.48374E-03 -0.14735E-03 4977 0.757E-02 0.125E-01 RMM: 5 -0.318633150758E+03 0.77120E-04 -0.18490E-04 3915 0.347E-02 0.106E-01 RMM: 6 -0.318633089202E+03 0.61556E-04 -0.49387E-05 3159 0.205E-02 0.634E-02 RMM: 7 -0.318633104850E+03 -0.15648E-04 -0.62279E-05 3411 0.221E-02 5540 T= 6679. E= 0.67562772E+03 F= 0.63763588E+03 E0= 0.66597291E+03 EK= 0.54392E+02 SP= -.17E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318335014052E+03 0.29808E+00 -0.19940E-01 8992 0.243E+01 0.300E-01 RMM: 2 -0.318364861151E+03 -0.29847E-01 -0.17733E-01 5474 0.919E-01 0.145E+00 RMM: 3 -0.318349629306E+03 0.15232E-01 -0.15860E-02 5522 0.273E-01 0.317E-01 RMM: 4 -0.318348879770E+03 0.74954E-03 -0.16859E-03 4825 0.861E-02 0.129E-01 RMM: 5 -0.318348826827E+03 0.52943E-04 -0.23116E-04 3969 0.356E-02 0.117E-01 RMM: 6 -0.318348752878E+03 0.73949E-04 -0.52520E-05 3206 0.211E-02 0.687E-02 RMM: 7 -0.318348765352E+03 -0.12474E-04 -0.34066E-05 2828 0.173E-02 5541 T= 6575. E= 0.67563905E+03 F= 0.63792022E+03 E0= 0.66624750E+03 EK= 0.53540E+02 SP= -.16E+02 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318555948537E+03 -0.20720E+00 -0.17275E-01 9032 0.241E+01 0.298E-01 RMM: 2 -0.318584102840E+03 -0.28154E-01 -0.16699E-01 5551 0.901E-01 0.138E+00 RMM: 3 -0.318569782305E+03 0.14321E-01 -0.16461E-02 5450 0.281E-01 0.313E-01 RMM: 4 -0.318569111471E+03 0.67083E-03 -0.16610E-03 5129 0.779E-02 0.116E-01 RMM: 5 -0.318569049062E+03 0.62408E-04 -0.17549E-04 3934 0.333E-02 0.104E-01 RMM: 6 -0.318569001159E+03 0.47903E-04 -0.40369E-05 3032 0.189E-02 0.744E-02 RMM: 7 -0.318569029841E+03 -0.28681E-04 -0.59042E-05 3360 0.210E-02 0.103E-01 RMM: 8 -0.318568979348E+03 0.50492E-04 -0.80890E-05 3788 0.218E-02 0.553E-02 RMM: 9 -0.318568966032E+03 0.13317E-04 -0.29581E-05 2717 0.149E-02 5542 T= 6532. E= 0.67564724E+03 F= 0.63770002E+03 E0= 0.66602800E+03 EK= 0.53192E+02 SP= -.16E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319413090072E+03 -0.84411E+00 -0.13483E-01 8776 0.239E+01 0.271E-01 RMM: 2 -0.319436323757E+03 -0.23234E-01 -0.14315E-01 5207 0.847E-01 0.124E+00 RMM: 3 -0.319424882405E+03 0.11441E-01 -0.14861E-02 5539 0.257E-01 0.251E-01 RMM: 4 -0.319424489493E+03 0.39291E-03 -0.14586E-03 4824 0.824E-02 0.160E-01 RMM: 5 -0.319424387543E+03 0.10195E-03 -0.23791E-04 3927 0.364E-02 0.123E-01 RMM: 6 -0.319424291327E+03 0.96216E-04 -0.68739E-05 3430 0.244E-02 0.429E-02 RMM: 7 -0.319424290313E+03 0.10138E-05 -0.18080E-05 2534 0.127E-02 5543 T= 6566. E= 0.67564485E+03 F= 0.63684470E+03 E0= 0.66518335E+03 EK= 0.53469E+02 SP= -.15E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320881213250E+03 -0.14569E+01 -0.11242E-01 8392 0.239E+01 0.203E-01 RMM: 2 -0.320895582610E+03 -0.14369E-01 -0.95425E-02 5291 0.680E-01 0.940E-01 RMM: 3 -0.320888766417E+03 0.68162E-02 -0.89217E-03 5580 0.200E-01 0.204E-01 RMM: 4 -0.320888459509E+03 0.30691E-03 -0.76109E-04 4928 0.551E-02 0.826E-02 RMM: 5 -0.320888432916E+03 0.26593E-04 -0.87358E-05 3697 0.243E-02 0.779E-02 RMM: 6 -0.320888409087E+03 0.23830E-04 -0.24501E-05 2617 0.146E-02 0.586E-02 RMM: 7 -0.320888436607E+03 -0.27520E-04 -0.48671E-05 3228 0.190E-02 0.911E-02 RMM: 8 -0.320888394292E+03 0.42315E-04 -0.79171E-05 3867 0.216E-02 0.433E-02 RMM: 9 -0.320888384319E+03 0.99727E-05 -0.15107E-05 2512 0.113E-02 5544 T= 6672. E= 0.67562868E+03 F= 0.63538060E+03 E0= 0.66373791E+03 EK= 0.54331E+02 SP= -.15E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322729803917E+03 -0.18414E+01 -0.12948E-01 8632 0.242E+01 0.210E-01 RMM: 2 -0.322747140997E+03 -0.17337E-01 -0.13364E-01 5074 0.804E-01 0.902E-01 RMM: 3 -0.322740743375E+03 0.63976E-02 -0.13421E-02 5896 0.220E-01 0.186E-01 RMM: 4 -0.322740407676E+03 0.33570E-03 -0.91298E-04 4739 0.695E-02 0.144E-01 RMM: 5 -0.322740299747E+03 0.10793E-03 -0.16039E-04 3881 0.324E-02 0.933E-02 RMM: 6 -0.322740251091E+03 0.48656E-04 -0.42541E-05 3103 0.197E-02 0.459E-02 RMM: 7 -0.322740260806E+03 -0.97144E-05 -0.26436E-05 2608 0.151E-02 5545 T= 6822. E= 0.67560417E+03 F= 0.63352873E+03 E0= 0.66191013E+03 EK= 0.55555E+02 SP= -.14E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324624900253E+03 -0.18846E+01 -0.15840E-01 9072 0.245E+01 0.267E-01 RMM: 2 -0.324648440943E+03 -0.23541E-01 -0.15553E-01 5457 0.852E-01 0.119E+00 RMM: 3 -0.324637726671E+03 0.10714E-01 -0.14633E-02 5667 0.247E-01 0.295E-01 RMM: 4 -0.324637051539E+03 0.67513E-03 -0.13442E-03 4767 0.770E-02 0.121E-01 RMM: 5 -0.324636979858E+03 0.71681E-04 -0.17936E-04 4169 0.301E-02 0.965E-02 RMM: 6 -0.324636947970E+03 0.31888E-04 -0.26590E-05 2604 0.159E-02 0.751E-02 RMM: 7 -0.324636957358E+03 -0.93876E-05 -0.37097E-05 2927 0.175E-02 5546 T= 6975. E= 0.67558026E+03 F= 0.63163203E+03 E0= 0.66004056E+03 EK= 0.56797E+02 SP= -.14E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326228519272E+03 -0.15916E+01 -0.19602E-01 9112 0.249E+01 0.269E-01 RMM: 2 -0.326254950011E+03 -0.26431E-01 -0.19041E-01 5584 0.916E-01 0.118E+00 RMM: 3 -0.326244259228E+03 0.10691E-01 -0.15090E-02 5672 0.251E-01 0.281E-01 RMM: 4 -0.326243678996E+03 0.58023E-03 -0.13871E-03 4802 0.781E-02 0.141E-01 RMM: 5 -0.326243573325E+03 0.10567E-03 -0.18593E-04 4024 0.318E-02 0.105E-01 RMM: 6 -0.326243537828E+03 0.35498E-04 -0.33713E-05 2841 0.176E-02 0.828E-02 RMM: 7 -0.326243548243E+03 -0.10416E-04 -0.53107E-05 3162 0.192E-02 5547 T= 7088. E= 0.67556321E+03 F= 0.63002544E+03 E0= 0.65846172E+03 EK= 0.57724E+02 SP= -.13E+02 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327314184939E+03 -0.10706E+01 -0.21555E-01 9128 0.251E+01 0.289E-01 RMM: 2 -0.327347044985E+03 -0.32860E-01 -0.20840E-01 5548 0.943E-01 0.144E+00 RMM: 3 -0.327331735538E+03 0.15309E-01 -0.17312E-02 5594 0.269E-01 0.297E-01 RMM: 4 -0.327331117756E+03 0.61778E-03 -0.16094E-03 4883 0.813E-02 0.147E-01 RMM: 5 -0.327331008492E+03 0.10926E-03 -0.20371E-04 4125 0.330E-02 0.113E-01 RMM: 6 -0.327330970233E+03 0.38260E-04 -0.37553E-05 2959 0.180E-02 0.945E-02 RMM: 7 -0.327330992482E+03 -0.22249E-04 -0.80316E-05 3600 0.226E-02 0.119E-01 RMM: 8 -0.327330913279E+03 0.79203E-04 -0.15616E-04 3923 0.299E-02 0.466E-02 RMM: 9 -0.327330921287E+03 -0.80076E-05 -0.45374E-05 3054 0.179E-02 5548 T= 7136. E= 0.67555585E+03 F= 0.62893807E+03 E0= 0.65740147E+03 EK= 0.58110E+02 SP= -.12E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327793615347E+03 -0.46270E+00 -0.22893E-01 9000 0.251E+01 0.250E-01 RMM: 2 -0.327819385805E+03 -0.25770E-01 -0.21442E-01 5686 0.929E-01 0.976E-01 RMM: 3 -0.327811671140E+03 0.77147E-02 -0.14696E-02 5759 0.238E-01 0.225E-01 RMM: 4 -0.327811351021E+03 0.32012E-03 -0.11978E-03 4775 0.746E-02 0.173E-01 RMM: 5 -0.327811180662E+03 0.17036E-03 -0.19338E-04 3916 0.329E-02 0.112E-01 RMM: 6 -0.327811120227E+03 0.60436E-04 -0.56917E-05 3279 0.219E-02 0.663E-02 RMM: 7 -0.327811148735E+03 -0.28508E-04 -0.65307E-05 3395 0.204E-02 0.996E-02 RMM: 8 -0.327811093948E+03 0.54787E-04 -0.85442E-05 3807 0.218E-02 0.356E-02 RMM: 9 -0.327811093114E+03 0.83373E-06 -0.20172E-05 2566 0.122E-02 5549 T= 7106. E= 0.67555663E+03 F= 0.62845790E+03 E0= 0.65694610E+03 EK= 0.57869E+02 SP= -.12E+02 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327701167137E+03 0.10993E+00 -0.24826E-01 9000 0.249E+01 0.228E-01 RMM: 2 -0.327727859845E+03 -0.26693E-01 -0.20761E-01 5912 0.916E-01 0.105E+00 RMM: 3 -0.327718962690E+03 0.88972E-02 -0.13270E-02 5782 0.227E-01 0.213E-01 RMM: 4 -0.327718588967E+03 0.37372E-03 -0.98842E-04 4786 0.671E-02 0.131E-01 RMM: 5 -0.327718490338E+03 0.98628E-04 -0.13509E-04 3954 0.280E-02 0.915E-02 RMM: 6 -0.327718457496E+03 0.32842E-04 -0.28402E-05 2682 0.161E-02 0.690E-02 RMM: 7 -0.327718471422E+03 -0.13926E-04 -0.91876E-05 3780 0.237E-02 5550 T= 7005. E= 0.67556308E+03 F= 0.62855052E+03 E0= 0.65706221E+03 EK= 0.57043E+02 SP= -.11E+02 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327158776927E+03 0.55968E+00 -0.25491E-01 8976 0.246E+01 0.205E-01 RMM: 2 -0.327182281443E+03 -0.23505E-01 -0.19367E-01 6060 0.892E-01 0.894E-01 RMM: 3 -0.327175519916E+03 0.67615E-02 -0.11590E-02 5662 0.216E-01 0.203E-01 RMM: 4 -0.327175204549E+03 0.31537E-03 -0.86841E-04 4847 0.619E-02 0.119E-01 RMM: 5 -0.327175122053E+03 0.82496E-04 -0.11564E-04 3889 0.268E-02 0.831E-02 RMM: 6 -0.327175108179E+03 0.13873E-04 -0.31105E-05 2754 0.168E-02 5551 T= 6848. E= 0.67557317E+03 F= 0.62909388E+03 E0= 0.65762794E+03 EK= 0.55762E+02 SP= -.10E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326339146983E+03 0.83598E+00 -0.25925E-01 8936 0.242E+01 0.361E-01 RMM: 2 -0.326384673410E+03 -0.45526E-01 -0.20564E-01 5354 0.982E-01 0.200E+00 RMM: 3 -0.326356337244E+03 0.28336E-01 -0.21744E-02 5400 0.334E-01 0.356E-01 RMM: 4 -0.326355494023E+03 0.84322E-03 -0.23900E-03 5254 0.926E-02 0.125E-01 RMM: 5 -0.326355426108E+03 0.67915E-04 -0.23672E-04 4123 0.341E-02 0.118E-01 RMM: 6 -0.326355371116E+03 0.54992E-04 -0.62686E-05 3331 0.224E-02 0.840E-02 RMM: 7 -0.326355451348E+03 -0.80232E-04 -0.10754E-04 3839 0.267E-02 0.135E-01 RMM: 8 -0.326355362360E+03 0.88988E-04 -0.15101E-04 3905 0.274E-02 0.634E-02 RMM: 9 -0.326355341341E+03 0.21019E-04 -0.30457E-05 2853 0.155E-02 0.297E-02 RMM: 10 -0.326355346793E+03 -0.54516E-05 -0.11689E-05 2485 0.112E-02 5552 T= 6657. E= 0.67558517E+03 F= 0.62991364E+03 E0= 0.65847095E+03 EK= 0.54212E+02 SP= -.96E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325439908828E+03 0.91543E+00 -0.21515E-01 8872 0.240E+01 0.345E-01 RMM: 2 -0.325480064019E+03 -0.40155E-01 -0.17428E-01 5512 0.887E-01 0.190E+00 RMM: 3 -0.325454066322E+03 0.25998E-01 -0.17106E-02 5388 0.299E-01 0.325E-01 RMM: 4 -0.325453426342E+03 0.63998E-03 -0.21790E-03 5028 0.974E-02 0.175E-01 RMM: 5 -0.325453371652E+03 0.54690E-04 -0.31181E-04 3928 0.424E-02 0.155E-01 RMM: 6 -0.325453221675E+03 0.14998E-03 -0.89502E-05 3610 0.269E-02 0.577E-02 RMM: 7 -0.325453252458E+03 -0.30783E-04 -0.47575E-05 3157 0.190E-02 0.875E-02 RMM: 8 -0.325453223719E+03 0.28739E-04 -0.59939E-05 3310 0.216E-02 0.463E-02 RMM: 9 -0.325453215350E+03 0.83696E-05 -0.19359E-05 2536 0.130E-02 5553 T= 6459. E= 0.67559691E+03 F= 0.63081577E+03 E0= 0.65940104E+03 EK= 0.52595E+02 SP= -.89E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324637952481E+03 0.81527E+00 -0.17122E-01 8936 0.237E+01 0.238E-01 RMM: 2 -0.324659155148E+03 -0.21203E-01 -0.14302E-01 5984 0.806E-01 0.111E+00 RMM: 3 -0.324650325318E+03 0.88298E-02 -0.10935E-02 5487 0.224E-01 0.247E-01 RMM: 4 -0.324649915434E+03 0.40988E-03 -0.10552E-03 4799 0.659E-02 0.113E-01 RMM: 5 -0.324649847678E+03 0.67755E-04 -0.12124E-04 4045 0.255E-02 0.871E-02 RMM: 6 -0.324649816573E+03 0.31105E-04 -0.24268E-05 2601 0.153E-02 0.614E-02 RMM: 7 -0.324649836654E+03 -0.20081E-04 -0.33801E-05 2860 0.166E-02 0.900E-02 RMM: 8 -0.324649785855E+03 0.50799E-04 -0.60034E-05 3197 0.197E-02 0.340E-02 RMM: 9 -0.324649783258E+03 0.25974E-05 -0.17909E-05 2509 0.119E-02 5554 T= 6274. E= 0.67560559E+03 F= 0.63161921E+03 E0= 0.66023833E+03 EK= 0.51096E+02 SP= -.81E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324061693160E+03 0.58809E+00 -0.13776E-01 8760 0.235E+01 0.243E-01 RMM: 2 -0.324084213345E+03 -0.22520E-01 -0.13343E-01 5625 0.793E-01 0.124E+00 RMM: 3 -0.324072961605E+03 0.11252E-01 -0.12213E-02 5499 0.235E-01 0.224E-01 RMM: 4 -0.324072610818E+03 0.35079E-03 -0.11223E-03 4866 0.673E-02 0.115E-01 RMM: 5 -0.324072534248E+03 0.76570E-04 -0.12788E-04 3961 0.275E-02 0.819E-02 RMM: 6 -0.324072502912E+03 0.31336E-04 -0.25286E-05 2619 0.153E-02 0.579E-02 RMM: 7 -0.324072513472E+03 -0.10560E-04 -0.30009E-05 2679 0.160E-02 5555 T= 6121. E= 0.67560857E+03 F= 0.63219648E+03 E0= 0.66085562E+03 EK= 0.49844E+02 SP= -.74E+01 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323755930166E+03 0.31657E+00 -0.11673E-01 8384 0.234E+01 0.195E-01 RMM: 2 -0.323771851589E+03 -0.15921E-01 -0.10822E-01 5311 0.720E-01 0.967E-01 RMM: 3 -0.323764914074E+03 0.69375E-02 -0.10265E-02 5644 0.206E-01 0.202E-01 RMM: 4 -0.323764595077E+03 0.31900E-03 -0.78745E-04 4843 0.582E-02 0.941E-02 RMM: 5 -0.323764544394E+03 0.50683E-04 -0.87220E-05 3843 0.226E-02 0.791E-02 RMM: 6 -0.323764529623E+03 0.14771E-04 -0.20575E-05 2550 0.138E-02 5556 T= 6003. E= 0.67560681E+03 F= 0.63250446E+03 E0= 0.66120860E+03 EK= 0.48885E+02 SP= -.67E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323690836386E+03 0.73708E-01 -0.11575E-01 8080 0.233E+01 0.303E-01 RMM: 2 -0.323718039386E+03 -0.27203E-01 -0.11664E-01 5132 0.780E-01 0.161E+00 RMM: 3 -0.323699950860E+03 0.18089E-01 -0.15097E-02 5388 0.278E-01 0.252E-01 RMM: 4 -0.323699552007E+03 0.39885E-03 -0.16708E-03 5252 0.721E-02 0.108E-01 RMM: 5 -0.323699462385E+03 0.89622E-04 -0.12330E-04 3774 0.301E-02 0.918E-02 RMM: 6 -0.323699428000E+03 0.34385E-04 -0.35496E-05 2842 0.177E-02 0.717E-02 RMM: 7 -0.323699462595E+03 -0.34595E-04 -0.64819E-05 3465 0.215E-02 0.110E-01 RMM: 8 -0.323699385487E+03 0.77108E-04 -0.12618E-04 3882 0.239E-02 0.495E-02 RMM: 9 -0.323699376475E+03 0.90114E-05 -0.29615E-05 2708 0.152E-02 5557 T= 5918. E= 0.67560383E+03 F= 0.63256961E+03 E0= 0.66132172E+03 EK= 0.48196E+02 SP= -.61E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323819865857E+03 -0.12048E+00 -0.11707E-01 8136 0.233E+01 0.345E-01 RMM: 2 -0.323849198637E+03 -0.29333E-01 -0.13446E-01 5166 0.840E-01 0.167E+00 RMM: 3 -0.323830152072E+03 0.19047E-01 -0.16554E-02 5477 0.286E-01 0.359E-01 RMM: 4 -0.323829324094E+03 0.82798E-03 -0.20348E-03 4896 0.965E-02 0.164E-01 RMM: 5 -0.323829241624E+03 0.82470E-04 -0.28827E-04 3906 0.424E-02 0.140E-01 RMM: 6 -0.323829119703E+03 0.12192E-03 -0.75189E-05 3542 0.249E-02 0.536E-02 RMM: 7 -0.323829138628E+03 -0.18925E-04 -0.41745E-05 3024 0.182E-02 5558 T= 5861. E= 0.67560246E+03 F= 0.63243985E+03 E0= 0.66123819E+03 EK= 0.47731E+02 SP= -.54E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324116738981E+03 -0.28762E+00 -0.11953E-01 8208 0.233E+01 0.282E-01 RMM: 2 -0.324142973483E+03 -0.26235E-01 -0.13691E-01 5272 0.824E-01 0.148E+00 RMM: 3 -0.324127764919E+03 0.15209E-01 -0.15380E-02 5574 0.260E-01 0.254E-01 RMM: 4 -0.324127277535E+03 0.48738E-03 -0.13792E-03 4940 0.721E-02 0.111E-01 RMM: 5 -0.324127200878E+03 0.76657E-04 -0.14003E-04 3929 0.295E-02 0.936E-02 RMM: 6 -0.324127168727E+03 0.32150E-04 -0.30843E-05 2710 0.165E-02 0.746E-02 RMM: 7 -0.324127188295E+03 -0.19568E-04 -0.56416E-05 3277 0.200E-02 5559 T= 5828. E= 0.67560283E+03 F= 0.63214180E+03 E0= 0.66098055E+03 EK= 0.47463E+02 SP= -.48E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324585260233E+03 -0.45809E+00 -0.11941E-01 8152 0.231E+01 0.260E-01 RMM: 2 -0.324607181472E+03 -0.21921E-01 -0.13904E-01 5177 0.825E-01 0.123E+00 RMM: 3 -0.324596428283E+03 0.10753E-01 -0.14575E-02 5740 0.245E-01 0.229E-01 RMM: 4 -0.324595999461E+03 0.42882E-03 -0.11665E-03 4778 0.711E-02 0.126E-01 RMM: 5 -0.324595909621E+03 0.89840E-04 -0.15423E-04 3890 0.302E-02 0.933E-02 RMM: 6 -0.324595865947E+03 0.43674E-04 -0.32836E-05 2874 0.174E-02 0.588E-02 RMM: 7 -0.324595868537E+03 -0.25902E-05 -0.26249E-05 2609 0.151E-02 5560 T= 5819. E= 0.67560325E+03 F= 0.63167312E+03 E0= 0.66054452E+03 EK= 0.47390E+02 SP= -.42E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325230415067E+03 -0.63455E+00 -0.11729E-01 8056 0.230E+01 0.257E-01 RMM: 2 -0.325252095500E+03 -0.21680E-01 -0.13555E-01 5126 0.819E-01 0.122E+00 RMM: 3 -0.325241492989E+03 0.10603E-01 -0.14681E-02 5665 0.250E-01 0.262E-01 RMM: 4 -0.325240941090E+03 0.55190E-03 -0.12639E-03 4802 0.738E-02 0.111E-01 RMM: 5 -0.325240877000E+03 0.64089E-04 -0.16687E-04 3979 0.302E-02 0.977E-02 RMM: 6 -0.325240824825E+03 0.52175E-04 -0.33209E-05 2870 0.175E-02 0.574E-02 RMM: 7 -0.325240825277E+03 -0.45133E-06 -0.25994E-05 2602 0.149E-02 5561 T= 5835. E= 0.67560217E+03 F= 0.63102816E+03 E0= 0.65991934E+03 EK= 0.47516E+02 SP= -.36E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326036689276E+03 -0.79586E+00 -0.11350E-01 8072 0.230E+01 0.249E-01 RMM: 2 -0.326057542116E+03 -0.20853E-01 -0.12704E-01 5068 0.795E-01 0.121E+00 RMM: 3 -0.326046982857E+03 0.10559E-01 -0.13548E-02 5622 0.244E-01 0.241E-01 RMM: 4 -0.326046522202E+03 0.46066E-03 -0.11706E-03 4828 0.698E-02 0.107E-01 RMM: 5 -0.326046464136E+03 0.58065E-04 -0.15572E-04 3888 0.310E-02 0.888E-02 RMM: 6 -0.326046418071E+03 0.46065E-04 -0.33341E-05 2866 0.174E-02 0.522E-02 RMM: 7 -0.326046420608E+03 -0.25366E-05 -0.24087E-05 2588 0.145E-02 5562 T= 5872. E= 0.67559881E+03 F= 0.63022257E+03 E0= 0.65912010E+03 EK= 0.47820E+02 SP= -.30E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326956345304E+03 -0.90993E+00 -0.11495E-01 7880 0.230E+01 0.223E-01 RMM: 2 -0.326975149021E+03 -0.18804E-01 -0.13104E-01 5017 0.814E-01 0.104E+00 RMM: 3 -0.326967357615E+03 0.77914E-02 -0.14062E-02 5726 0.236E-01 0.215E-01 RMM: 4 -0.326966946690E+03 0.41092E-03 -0.10173E-03 4776 0.685E-02 0.117E-01 RMM: 5 -0.326966870794E+03 0.75896E-04 -0.15133E-04 3880 0.315E-02 0.902E-02 RMM: 6 -0.326966822114E+03 0.48680E-04 -0.37496E-05 2962 0.185E-02 0.456E-02 RMM: 7 -0.326966821384E+03 0.73022E-06 -0.22575E-05 2565 0.140E-02 5563 T= 5926. E= 0.67559408E+03 F= 0.62930217E+03 E0= 0.65819006E+03 EK= 0.48256E+02 SP= -.25E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327926096213E+03 -0.95927E+00 -0.12054E-01 8000 0.232E+01 0.215E-01 RMM: 2 -0.327945493899E+03 -0.19398E-01 -0.13979E-01 4990 0.856E-01 0.102E+00 RMM: 3 -0.327938033690E+03 0.74602E-02 -0.15132E-02 5793 0.239E-01 0.199E-01 RMM: 4 -0.327937609132E+03 0.42456E-03 -0.94986E-04 4809 0.664E-02 0.120E-01 RMM: 5 -0.327937522539E+03 0.86593E-04 -0.13914E-04 3861 0.317E-02 0.780E-02 RMM: 6 -0.327937488857E+03 0.33682E-04 -0.30955E-05 2711 0.167E-02 0.530E-02 RMM: 7 -0.327937485220E+03 0.36375E-05 -0.27404E-05 2603 0.153E-02 5564 T= 5987. E= 0.67558943E+03 F= 0.62833150E+03 E0= 0.65719426E+03 EK= 0.48757E+02 SP= -.20E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328887763353E+03 -0.95027E+00 -0.12035E-01 8168 0.233E+01 0.182E-01 RMM: 2 -0.328903042603E+03 -0.15279E-01 -0.12730E-01 5098 0.809E-01 0.778E-01 RMM: 3 -0.328898538722E+03 0.45039E-02 -0.12818E-02 6060 0.211E-01 0.163E-01 RMM: 4 -0.328898203454E+03 0.33527E-03 -0.66388E-04 4706 0.598E-02 0.126E-01 RMM: 5 -0.328898099260E+03 0.10419E-03 -0.11228E-04 3787 0.292E-02 0.729E-02 RMM: 6 -0.328898076552E+03 0.22707E-04 -0.26946E-05 2598 0.157E-02 0.542E-02 RMM: 7 -0.328898067621E+03 0.89313E-05 -0.32207E-05 2639 0.160E-02 5565 T= 6049. E= 0.67558583E+03 F= 0.62737092E+03 E0= 0.65619407E+03 EK= 0.49263E+02 SP= -.15E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329800411111E+03 -0.90233E+00 -0.12158E-01 8200 0.234E+01 0.178E-01 RMM: 2 -0.329815680443E+03 -0.15269E-01 -0.12528E-01 5156 0.792E-01 0.781E-01 RMM: 3 -0.329810924402E+03 0.47560E-02 -0.12109E-02 6068 0.204E-01 0.156E-01 RMM: 4 -0.329810629250E+03 0.29515E-03 -0.61687E-04 4673 0.574E-02 0.131E-01 RMM: 5 -0.329810513321E+03 0.11593E-03 -0.10862E-04 3717 0.294E-02 0.684E-02 RMM: 6 -0.329810493613E+03 0.19708E-04 -0.27355E-05 2628 0.156E-02 5566 T= 6107. E= 0.67558404E+03 F= 0.62645850E+03 E0= 0.65522955E+03 EK= 0.49734E+02 SP= -.10E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330659025482E+03 -0.84851E+00 -0.12010E-01 7944 0.235E+01 0.228E-01 RMM: 2 -0.330681332154E+03 -0.22307E-01 -0.11936E-01 5160 0.771E-01 0.132E+00 RMM: 3 -0.330668704298E+03 0.12628E-01 -0.12133E-02 5544 0.235E-01 0.216E-01 RMM: 4 -0.330668334076E+03 0.37022E-03 -0.98442E-04 4937 0.634E-02 0.945E-02 RMM: 5 -0.330668272798E+03 0.61278E-04 -0.10573E-04 3777 0.274E-02 0.760E-02 RMM: 6 -0.330668251665E+03 0.21133E-04 -0.26395E-05 2588 0.151E-02 0.697E-02 RMM: 7 -0.330668260018E+03 -0.83531E-05 -0.63198E-05 3457 0.217E-02 5567 T= 6160. E= 0.67558400E+03 F= 0.62560073E+03 E0= 0.65431088E+03 EK= 0.50162E+02 SP= -.58E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331488338475E+03 -0.82009E+00 -0.12017E-01 7728 0.235E+01 0.247E-01 RMM: 2 -0.331507846738E+03 -0.19508E-01 -0.11297E-01 5037 0.784E-01 0.121E+00 RMM: 3 -0.331497422695E+03 0.10424E-01 -0.12519E-02 5635 0.239E-01 0.238E-01 RMM: 4 -0.331497044682E+03 0.37801E-03 -0.11631E-03 4731 0.760E-02 0.131E-01 RMM: 5 -0.331496974983E+03 0.69699E-04 -0.16881E-04 3863 0.329E-02 0.989E-02 RMM: 6 -0.331496913912E+03 0.61071E-04 -0.37710E-05 3014 0.188E-02 0.359E-02 RMM: 7 -0.331496919385E+03 -0.54728E-05 -0.20402E-05 2530 0.138E-02 5568 T= 6210. E= 0.67558531E+03 F= 0.62477207E+03 E0= 0.65341610E+03 EK= 0.50571E+02 SP= -.14E+00 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332329571820E+03 -0.83266E+00 -0.11757E-01 7760 0.235E+01 0.208E-01 RMM: 2 -0.332347545069E+03 -0.17973E-01 -0.11244E-01 5141 0.762E-01 0.110E+00 RMM: 3 -0.332338785258E+03 0.87598E-02 -0.11189E-02 5715 0.220E-01 0.191E-01 RMM: 4 -0.332338473087E+03 0.31217E-03 -0.76486E-04 4795 0.590E-02 0.952E-02 RMM: 5 -0.332338409400E+03 0.63688E-04 -0.95260E-05 3699 0.262E-02 0.734E-02 RMM: 6 -0.332338385090E+03 0.24310E-04 -0.28375E-05 2692 0.160E-02 0.576E-02 RMM: 7 -0.332338386464E+03 -0.13738E-05 -0.35292E-05 2643 0.169E-02 5569 T= 6263. E= 0.67558680E+03 F= 0.62393060E+03 E0= 0.65250695E+03 EK= 0.51001E+02 SP= 0.29E+00 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333224356034E+03 -0.88597E+00 -0.11797E-01 7600 0.236E+01 0.170E-01 RMM: 2 -0.333236698869E+03 -0.12343E-01 -0.10332E-01 4936 0.751E-01 0.690E-01 RMM: 3 -0.333233112079E+03 0.35868E-02 -0.11102E-02 5872 0.210E-01 0.134E-01 RMM: 4 -0.333232928809E+03 0.18327E-03 -0.57165E-04 4737 0.531E-02 0.103E-01 RMM: 5 -0.333232861855E+03 0.66953E-04 -0.77112E-05 3514 0.255E-02 0.598E-02 RMM: 6 -0.333232845759E+03 0.16097E-04 -0.22129E-05 2541 0.143E-02 5570 T= 6323. E= 0.67558725E+03 F= 0.62303614E+03 E0= 0.65154711E+03 EK= 0.51487E+02 SP= 0.71E+00 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334193601479E+03 -0.96074E+00 -0.12000E-01 7512 0.237E+01 0.198E-01 RMM: 2 -0.334209465907E+03 -0.15864E-01 -0.10209E-01 4996 0.751E-01 0.101E+00 RMM: 3 -0.334202125477E+03 0.73404E-02 -0.10833E-02 5599 0.219E-01 0.177E-01 RMM: 4 -0.334201869306E+03 0.25617E-03 -0.73238E-04 4759 0.581E-02 0.906E-02 RMM: 5 -0.334201815600E+03 0.53706E-04 -0.85846E-05 3772 0.253E-02 0.717E-02 RMM: 6 -0.334201796282E+03 0.19318E-04 -0.23229E-05 2555 0.142E-02 5571 T= 6392. E= 0.67558628E+03 F= 0.62206719E+03 E0= 0.65051728E+03 EK= 0.52049E+02 SP= 0.11E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335227931738E+03 -0.10261E+01 -0.11396E-01 7344 0.239E+01 0.300E-01 RMM: 2 -0.335253246317E+03 -0.25315E-01 -0.10186E-01 4849 0.793E-01 0.158E+00 RMM: 3 -0.335236067905E+03 0.17178E-01 -0.15097E-02 5362 0.293E-01 0.283E-01 RMM: 4 -0.335235508520E+03 0.55939E-03 -0.14958E-03 4779 0.784E-02 0.779E-02 RMM: 5 -0.335235482897E+03 0.25622E-04 -0.15601E-04 4126 0.306E-02 0.788E-02 RMM: 6 -0.335235451449E+03 0.31448E-04 -0.31171E-05 2646 0.168E-02 0.491E-02 RMM: 7 -0.335235471551E+03 -0.20102E-04 -0.34694E-05 2802 0.179E-02 0.795E-02 RMM: 8 -0.335235429522E+03 0.42029E-04 -0.32986E-05 2623 0.160E-02 0.305E-02 RMM: 9 -0.335235432558E+03 -0.30357E-05 -0.19478E-05 2507 0.126E-02 5572 T= 6468. E= 0.67558272E+03 F= 0.62103356E+03 E0= 0.64943004E+03 EK= 0.52673E+02 SP= 0.15E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336284651495E+03 -0.10492E+01 -0.11342E-01 7488 0.241E+01 0.266E-01 RMM: 2 -0.336304202686E+03 -0.19551E-01 -0.10986E-01 4714 0.810E-01 0.123E+00 RMM: 3 -0.336293711075E+03 0.10492E-01 -0.14164E-02 5402 0.267E-01 0.246E-01 RMM: 4 -0.336293447241E+03 0.26383E-03 -0.15407E-03 4998 0.855E-02 0.170E-01 RMM: 5 -0.336293350347E+03 0.96895E-04 -0.25423E-04 3911 0.407E-02 0.130E-01 RMM: 6 -0.336293236792E+03 0.11355E-03 -0.73935E-05 3505 0.247E-02 0.345E-02 RMM: 7 -0.336293251413E+03 -0.14621E-04 -0.27273E-05 2652 0.156E-02 5573 T= 6547. E= 0.67557793E+03 F= 0.61997574E+03 E0= 0.64832575E+03 EK= 0.53315E+02 SP= 0.19E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337304515256E+03 -0.10113E+01 -0.12024E-01 7584 0.243E+01 0.182E-01 RMM: 2 -0.337320324924E+03 -0.15810E-01 -0.11659E-01 4750 0.832E-01 0.894E-01 RMM: 3 -0.337314747571E+03 0.55774E-02 -0.13995E-02 5788 0.232E-01 0.178E-01 RMM: 4 -0.337314392372E+03 0.35520E-03 -0.72848E-04 4803 0.610E-02 0.779E-02 RMM: 5 -0.337314350106E+03 0.42266E-04 -0.10470E-04 3846 0.297E-02 0.624E-02 RMM: 6 -0.337314334592E+03 0.15513E-04 -0.24453E-05 2542 0.144E-02 5574 T= 6621. E= 0.67557320E+03 F= 0.61895465E+03 E0= 0.64726416E+03 EK= 0.53915E+02 SP= 0.24E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338221222358E+03 -0.90687E+00 -0.11983E-01 7544 0.245E+01 0.206E-01 RMM: 2 -0.338238671198E+03 -0.17449E-01 -0.11256E-01 4741 0.818E-01 0.104E+00 RMM: 3 -0.338230950896E+03 0.77203E-02 -0.13514E-02 5546 0.242E-01 0.179E-01 RMM: 4 -0.338230664220E+03 0.28668E-03 -0.88628E-04 4926 0.622E-02 0.849E-02 RMM: 5 -0.338230617920E+03 0.46300E-04 -0.10423E-04 3906 0.292E-02 0.667E-02 RMM: 6 -0.338230601520E+03 0.16401E-04 -0.26113E-05 2559 0.151E-02 5575 T= 6680. E= 0.67556865E+03 F= 0.61803839E+03 E0= 0.64631409E+03 EK= 0.54401E+02 SP= 0.28E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338969667805E+03 -0.73905E+00 -0.11889E-01 7400 0.247E+01 0.328E-01 RMM: 2 -0.339000331969E+03 -0.30664E-01 -0.11480E-01 4779 0.849E-01 0.177E+00 RMM: 3 -0.338978866405E+03 0.21466E-01 -0.17154E-02 5365 0.312E-01 0.338E-01 RMM: 4 -0.338978052836E+03 0.81357E-03 -0.18640E-03 5028 0.897E-02 0.872E-02 RMM: 5 -0.338978038646E+03 0.14189E-04 -0.21010E-04 3947 0.330E-02 0.993E-02 RMM: 6 -0.338977974199E+03 0.64448E-04 -0.37238E-05 2903 0.184E-02 0.412E-02 RMM: 7 -0.338977977046E+03 -0.28473E-05 -0.21739E-05 2526 0.141E-02 5576 T= 6718. E= 0.67556454E+03 F= 0.61729101E+03 E0= 0.64553802E+03 EK= 0.54708E+02 SP= 0.32E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339494144077E+03 -0.51617E+00 -0.12158E-01 7472 0.248E+01 0.250E-01 RMM: 2 -0.339516172043E+03 -0.22028E-01 -0.10394E-01 4779 0.776E-01 0.139E+00 RMM: 3 -0.339502859011E+03 0.13313E-01 -0.13801E-02 5422 0.265E-01 0.245E-01 RMM: 4 -0.339502455191E+03 0.40382E-03 -0.13131E-03 4766 0.750E-02 0.102E-01 RMM: 5 -0.339502431058E+03 0.24133E-04 -0.16481E-04 3926 0.330E-02 0.982E-02 RMM: 6 -0.339502366897E+03 0.64161E-04 -0.40658E-05 2988 0.192E-02 0.360E-02 RMM: 7 -0.339502372506E+03 -0.56089E-05 -0.21281E-05 2535 0.143E-02 5577 T= 6727. E= 0.67556154E+03 F= 0.61676662E+03 E0= 0.64498849E+03 EK= 0.54783E+02 SP= 0.36E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339755399863E+03 -0.25303E+00 -0.12502E-01 7592 0.248E+01 0.184E-01 RMM: 2 -0.339770175885E+03 -0.14776E-01 -0.10009E-01 4757 0.761E-01 0.937E-01 RMM: 3 -0.339763984978E+03 0.61909E-02 -0.11908E-02 5622 0.223E-01 0.175E-01 RMM: 4 -0.339763698368E+03 0.28661E-03 -0.73033E-04 4770 0.589E-02 0.778E-02 RMM: 5 -0.339763669787E+03 0.28581E-04 -0.99220E-05 3694 0.282E-02 0.664E-02 RMM: 6 -0.339763643112E+03 0.26675E-04 -0.25589E-05 2569 0.152E-02 0.354E-02 RMM: 7 -0.339763643708E+03 -0.59618E-06 -0.15829E-05 2489 0.126E-02 5578 T= 6703. E= 0.67556015E+03 F= 0.61650535E+03 E0= 0.64470411E+03 EK= 0.54588E+02 SP= 0.41E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339730900797E+03 0.32742E-01 -0.12507E-01 7616 0.247E+01 0.128E-01 RMM: 2 -0.339742839072E+03 -0.11938E-01 -0.10758E-01 4716 0.783E-01 0.549E-01 RMM: 3 -0.339740503080E+03 0.23360E-02 -0.12343E-02 6025 0.201E-01 0.982E-02 RMM: 4 -0.339740311591E+03 0.19149E-03 -0.53921E-04 4589 0.590E-02 0.101E-01 RMM: 5 -0.339740240728E+03 0.70863E-04 -0.73930E-05 3410 0.276E-02 0.449E-02 RMM: 6 -0.339740232736E+03 0.79921E-05 -0.20081E-05 2515 0.128E-02 5579 T= 6644. E= 0.67556003E+03 F= 0.61652876E+03 E0= 0.64470637E+03 EK= 0.54105E+02 SP= 0.45E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339421124971E+03 0.31912E+00 -0.12563E-01 7456 0.246E+01 0.141E-01 RMM: 2 -0.339434867302E+03 -0.13742E-01 -0.11545E-01 4773 0.794E-01 0.675E-01 RMM: 3 -0.339431294282E+03 0.35730E-02 -0.12700E-02 5817 0.209E-01 0.113E-01 RMM: 4 -0.339431065665E+03 0.22862E-03 -0.56386E-04 4866 0.541E-02 0.756E-02 RMM: 5 -0.339431022708E+03 0.42957E-04 -0.61879E-05 3109 0.245E-02 0.528E-02 RMM: 6 -0.339431013934E+03 0.87740E-05 -0.22094E-05 2519 0.147E-02 5580 T= 6550. E= 0.67556176E+03 F= 0.61683798E+03 E0= 0.64499563E+03 EK= 0.53337E+02 SP= 0.50E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338850261754E+03 0.58076E+00 -0.11767E-01 7528 0.244E+01 0.263E-01 RMM: 2 -0.338875843579E+03 -0.25582E-01 -0.10483E-01 4744 0.788E-01 0.155E+00 RMM: 3 -0.338858789850E+03 0.17054E-01 -0.13915E-02 5391 0.269E-01 0.239E-01 RMM: 4 -0.338858367259E+03 0.42259E-03 -0.12691E-03 4838 0.720E-02 0.759E-02 RMM: 5 -0.338858361013E+03 0.62462E-05 -0.13945E-04 3888 0.305E-02 5581 T= 6424. E= 0.67556577E+03 F= 0.61741063E+03 E0= 0.64554942E+03 EK= 0.52314E+02 SP= 0.54E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338061269013E+03 0.79710E+00 -0.11483E-01 7584 0.241E+01 0.214E-01 RMM: 2 -0.338080228785E+03 -0.18960E-01 -0.87124E-02 4971 0.691E-01 0.127E+00 RMM: 3 -0.338068602117E+03 0.11627E-01 -0.10323E-02 5398 0.226E-01 0.203E-01 RMM: 4 -0.338068319063E+03 0.28305E-03 -0.91766E-04 4706 0.624E-02 0.908E-02 RMM: 5 -0.338068275344E+03 0.43719E-04 -0.99366E-05 3858 0.267E-02 0.736E-02 RMM: 6 -0.338068247965E+03 0.27379E-04 -0.25102E-05 2560 0.149E-02 0.551E-02 RMM: 7 -0.338068268106E+03 -0.20141E-04 -0.55242E-05 3296 0.194E-02 0.914E-02 RMM: 8 -0.338068213232E+03 0.54874E-04 -0.10673E-04 3880 0.242E-02 0.235E-02 RMM: 9 -0.338068216065E+03 -0.28329E-05 -0.13948E-05 2497 0.106E-02 5582 T= 6274. E= 0.67557139E+03 F= 0.61820077E+03 E0= 0.64632101E+03 EK= 0.51088E+02 SP= 0.59E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337121103665E+03 0.94711E+00 -0.11540E-01 7472 0.237E+01 0.208E-01 RMM: 2 -0.337134665823E+03 -0.13562E-01 -0.11412E-01 4718 0.803E-01 0.743E-01 RMM: 3 -0.337130684123E+03 0.39817E-02 -0.13002E-02 5888 0.208E-01 0.136E-01 RMM: 4 -0.337130710081E+03 -0.25958E-04 -0.87177E-04 4759 0.732E-02 0.231E-01 RMM: 5 -0.337130369778E+03 0.34030E-03 -0.21114E-04 3887 0.398E-02 0.760E-02 RMM: 6 -0.337130336613E+03 0.33166E-04 -0.45952E-05 3135 0.204E-02 0.337E-02 RMM: 7 -0.337130346985E+03 -0.10372E-04 -0.19799E-05 2524 0.141E-02 5583 T= 6107. E= 0.67557771E+03 F= 0.61913864E+03 E0= 0.64724167E+03 EK= 0.49734E+02 SP= 0.63E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336123248381E+03 0.10071E+01 -0.10943E-01 7680 0.233E+01 0.144E-01 RMM: 2 -0.336134826211E+03 -0.11578E-01 -0.10014E-01 4854 0.757E-01 0.613E-01 RMM: 3 -0.336132138611E+03 0.26876E-02 -0.11466E-02 6017 0.194E-01 0.129E-01 RMM: 4 -0.336131862775E+03 0.27584E-03 -0.47537E-04 4612 0.528E-02 0.767E-02 RMM: 5 -0.336131814567E+03 0.48208E-04 -0.61885E-05 3305 0.241E-02 0.478E-02 RMM: 6 -0.336131810972E+03 0.35948E-05 -0.21501E-05 2518 0.135E-02 5584 T= 5937. E= 0.67558540E+03 F= 0.62013718E+03 E0= 0.64822471E+03 EK= 0.48346E+02 SP= 0.68E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335158894772E+03 0.97292E+00 -0.10988E-01 7560 0.229E+01 0.181E-01 RMM: 2 -0.335177299384E+03 -0.18405E-01 -0.13541E-01 4720 0.855E-01 0.930E-01 RMM: 3 -0.335171006415E+03 0.62930E-02 -0.15830E-02 5738 0.234E-01 0.167E-01 RMM: 4 -0.335170635319E+03 0.37110E-03 -0.82929E-04 4977 0.619E-02 0.791E-02 RMM: 5 -0.335170598580E+03 0.36739E-04 -0.10016E-04 3893 0.271E-02 0.582E-02 RMM: 6 -0.335170586926E+03 0.11655E-04 -0.23123E-05 2556 0.143E-02 5585 T= 5775. E= 0.67559304E+03 F= 0.62109840E+03 E0= 0.64917143E+03 EK= 0.47025E+02 SP= 0.72E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334336368596E+03 0.83423E+00 -0.10141E-01 7704 0.225E+01 0.300E-01 RMM: 2 -0.334364654433E+03 -0.28286E-01 -0.11257E-01 4862 0.796E-01 0.166E+00 RMM: 3 -0.334345489176E+03 0.19165E-01 -0.15277E-02 5404 0.282E-01 0.289E-01 RMM: 4 -0.334344867416E+03 0.62176E-03 -0.16074E-03 4814 0.824E-02 0.780E-02 RMM: 5 -0.334344848877E+03 0.18540E-04 -0.18892E-04 4374 0.293E-02 5586 T= 5633. E= 0.67560112E+03 F= 0.62192414E+03 E0= 0.64998450E+03 EK= 0.45874E+02 SP= 0.75E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333735995539E+03 0.60887E+00 -0.97028E-02 7856 0.221E+01 0.200E-01 RMM: 2 -0.333753466369E+03 -0.17471E-01 -0.10603E-01 5033 0.729E-01 0.107E+00 RMM: 3 -0.333745133005E+03 0.83334E-02 -0.11440E-02 5491 0.225E-01 0.223E-01 RMM: 4 -0.333744749147E+03 0.38386E-03 -0.94994E-04 4746 0.640E-02 0.839E-02 RMM: 5 -0.333744712713E+03 0.36434E-04 -0.10966E-04 4056 0.253E-02 0.710E-02 RMM: 6 -0.333744694076E+03 0.18637E-04 -0.20744E-05 2550 0.134E-02 5587 T= 5524. E= 0.67560776E+03 F= 0.62252430E+03 E0= 0.65057463E+03 EK= 0.44983E+02 SP= 0.79E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333433459612E+03 0.31125E+00 -0.98257E-02 7944 0.218E+01 0.285E-01 RMM: 2 -0.333459771105E+03 -0.26311E-01 -0.11183E-01 4934 0.763E-01 0.156E+00 RMM: 3 -0.333442574193E+03 0.17197E-01 -0.14602E-02 5421 0.273E-01 0.280E-01 RMM: 4 -0.333442002058E+03 0.57213E-03 -0.15175E-03 4819 0.774E-02 0.861E-02 RMM: 5 -0.333441987965E+03 0.14093E-04 -0.17169E-04 3932 0.315E-02 5588 T= 5455. E= 0.67561238E+03 F= 0.62282700E+03 E0= 0.65087003E+03 EK= 0.44424E+02 SP= 0.82E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333472593513E+03 -0.30591E-01 -0.10668E-01 8360 0.216E+01 0.247E-01 RMM: 2 -0.333498954556E+03 -0.26361E-01 -0.12786E-01 5039 0.791E-01 0.146E+00 RMM: 3 -0.333483422215E+03 0.15532E-01 -0.14330E-02 5429 0.263E-01 0.247E-01 RMM: 4 -0.333482976930E+03 0.44529E-03 -0.13893E-03 5031 0.722E-02 0.951E-02 RMM: 5 -0.333482922618E+03 0.54311E-04 -0.13980E-04 3903 0.296E-02 0.762E-02 RMM: 6 -0.333482896079E+03 0.26540E-04 -0.28669E-05 2700 0.160E-02 0.530E-02 RMM: 7 -0.333482910685E+03 -0.14606E-04 -0.28430E-05 2625 0.157E-02 5589 T= 5433. E= 0.67561455E+03 F= 0.62278608E+03 E0= 0.65082426E+03 EK= 0.44242E+02 SP= 0.85E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333870329315E+03 -0.38743E+00 -0.11916E-01 8224 0.215E+01 0.217E-01 RMM: 2 -0.333890683254E+03 -0.20354E-01 -0.14674E-01 4877 0.854E-01 0.101E+00 RMM: 3 -0.333883055108E+03 0.76281E-02 -0.15496E-02 5791 0.239E-01 0.181E-01 RMM: 4 -0.333882753447E+03 0.30166E-03 -0.98914E-04 4769 0.700E-02 0.142E-01 RMM: 5 -0.333882663053E+03 0.90394E-04 -0.16285E-04 3850 0.323E-02 0.852E-02 RMM: 6 -0.333882615365E+03 0.47688E-04 -0.42375E-05 3110 0.194E-02 0.221E-02 RMM: 7 -0.333882622999E+03 -0.76339E-05 -0.14292E-05 2501 0.124E-02 5590 T= 5458. E= 0.67561383E+03 F= 0.62238637E+03 E0= 0.65042375E+03 EK= 0.44450E+02 SP= 0.87E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334612988809E+03 -0.73037E+00 -0.12560E-01 8560 0.216E+01 0.160E-01 RMM: 2 -0.334629223318E+03 -0.16235E-01 -0.14577E-01 5180 0.823E-01 0.636E-01 RMM: 3 -0.334625663579E+03 0.35597E-02 -0.13110E-02 6081 0.208E-01 0.116E-01 RMM: 4 -0.334625388363E+03 0.27522E-03 -0.57939E-04 4716 0.534E-02 0.112E-01 RMM: 5 -0.334625297216E+03 0.91146E-04 -0.83899E-05 3586 0.256E-02 0.558E-02 RMM: 6 -0.334625285569E+03 0.11647E-04 -0.20208E-05 2538 0.130E-02 5591 T= 5530. E= 0.67561078E+03 F= 0.62164370E+03 E0= 0.64968248E+03 EK= 0.45031E+02 SP= 0.89E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335655955755E+03 -0.10307E+01 -0.13422E-01 8688 0.217E+01 0.180E-01 RMM: 2 -0.335674774152E+03 -0.18818E-01 -0.14434E-01 5140 0.813E-01 0.891E-01 RMM: 3 -0.335668500093E+03 0.62741E-02 -0.13654E-02 5816 0.224E-01 0.179E-01 RMM: 4 -0.335668117632E+03 0.38246E-03 -0.76984E-04 4897 0.583E-02 0.761E-02 RMM: 5 -0.335668094023E+03 0.23609E-04 -0.97277E-05 3720 0.250E-02 0.693E-02 RMM: 6 -0.335668074628E+03 0.19395E-04 -0.23015E-05 2563 0.144E-02 5592 T= 5641. E= 0.67560590E+03 F= 0.62060091E+03 E0= 0.64864451E+03 EK= 0.45939E+02 SP= 0.90E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336936463551E+03 -0.12684E+01 -0.13965E-01 8880 0.220E+01 0.381E-01 RMM: 2 -0.336980138851E+03 -0.43675E-01 -0.14920E-01 5095 0.863E-01 0.212E+00 RMM: 3 -0.336947782123E+03 0.32357E-01 -0.19629E-02 5392 0.330E-01 0.334E-01 RMM: 4 -0.336946971569E+03 0.81055E-03 -0.22632E-03 5008 0.945E-02 0.109E-01 RMM: 5 -0.336946959113E+03 0.12456E-04 -0.25479E-04 3920 0.375E-02 0.117E-01 RMM: 6 -0.336946869643E+03 0.89469E-04 -0.54296E-05 3260 0.214E-02 0.472E-02 RMM: 7 -0.336946867483E+03 0.21603E-05 -0.20485E-05 2525 0.140E-02 5593 T= 5785. E= 0.67559953E+03 F= 0.61932212E+03 E0= 0.64737281E+03 EK= 0.47108E+02 SP= 0.91E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338368784275E+03 -0.14219E+01 -0.15045E-01 8760 0.223E+01 0.280E-01 RMM: 2 -0.338400261293E+03 -0.31477E-01 -0.15382E-01 5087 0.837E-01 0.158E+00 RMM: 3 -0.338381429490E+03 0.18832E-01 -0.16039E-02 5402 0.286E-01 0.275E-01 RMM: 4 -0.338380904322E+03 0.52517E-03 -0.17274E-03 4966 0.839E-02 0.111E-01 RMM: 5 -0.338380897510E+03 0.68118E-05 -0.21107E-04 3900 0.362E-02 0.117E-01 RMM: 6 -0.338380804822E+03 0.92689E-04 -0.58356E-05 3321 0.223E-02 0.368E-02 RMM: 7 -0.338380807387E+03 -0.25650E-05 -0.19201E-05 2535 0.135E-02 5594 T= 5950. E= 0.67559259E+03 F= 0.61788818E+03 E0= 0.64594791E+03 EK= 0.48453E+02 SP= 0.92E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339869234745E+03 -0.14884E+01 -0.15425E-01 8800 0.227E+01 0.235E-01 RMM: 2 -0.339893542274E+03 -0.24308E-01 -0.15055E-01 5265 0.828E-01 0.125E+00 RMM: 3 -0.339881715620E+03 0.11827E-01 -0.13435E-02 5594 0.240E-01 0.187E-01 RMM: 4 -0.339881404284E+03 0.31134E-03 -0.10489E-03 4915 0.662E-02 0.108E-01 RMM: 5 -0.339881343206E+03 0.61078E-04 -0.13655E-04 3876 0.304E-02 0.742E-02 RMM: 6 -0.339881308771E+03 0.34435E-04 -0.30329E-05 2793 0.166E-02 0.390E-02 RMM: 7 -0.339881310375E+03 -0.16044E-05 -0.17286E-05 2513 0.129E-02 5595 T= 6125. E= 0.67558574E+03 F= 0.61638768E+03 E0= 0.64445677E+03 EK= 0.49882E+02 SP= 0.93E+01 SK= 0.79E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.341347774356E+03 -0.14665E+01 -0.15236E-01 8896 0.230E+01 0.147E-01 RMM: 2 -0.341364553245E+03 -0.16779E-01 -0.15572E-01 5086 0.851E-01 0.558E-01 RMM: 3 -0.341361524273E+03 0.30290E-02 -0.14551E-02 6212 0.219E-01 0.121E-01 RMM: 4 -0.341361209166E+03 0.31511E-03 -0.58767E-04 4777 0.549E-02 0.108E-01 RMM: 5 -0.341361122492E+03 0.86673E-04 -0.85494E-05 3537 0.270E-02 0.526E-02 RMM: 6 -0.341361112875E+03 0.96177E-05 -0.22625E-05 2547 0.140E-02 5596 T= 6300. E= 0.67557906E+03 F= 0.61490788E+03 E0= 0.64298769E+03 EK= 0.51302E+02 SP= 0.94E+01 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.342724597991E+03 -0.13635E+01 -0.15525E-01 8280 0.234E+01 0.186E-01 RMM: 2 -0.342746195754E+03 -0.21598E-01 -0.16998E-01 5190 0.902E-01 0.913E-01 RMM: 3 -0.342739431350E+03 0.67644E-02 -0.15568E-02 5887 0.235E-01 0.170E-01 RMM: 4 -0.342739012291E+03 0.41906E-03 -0.79792E-04 4893 0.626E-02 0.874E-02 RMM: 5 -0.342738963706E+03 0.48585E-04 -0.10193E-04 3923 0.268E-02 0.658E-02 RMM: 6 -0.342738945843E+03 0.17863E-04 -0.23856E-05 2555 0.148E-02 5597 T= 6463. E= 0.67557292E+03 F= 0.61353004E+03 E0= 0.64162124E+03 EK= 0.52627E+02 SP= 0.94E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.343931061657E+03 -0.11921E+01 -0.14330E-01 8680 0.237E+01 0.286E-01 RMM: 2 -0.343959879041E+03 -0.28817E-01 -0.14115E-01 4915 0.847E-01 0.154E+00 RMM: 3 -0.343942710416E+03 0.17169E-01 -0.16136E-02 5439 0.286E-01 0.283E-01 RMM: 4 -0.343942101534E+03 0.60888E-03 -0.15925E-03 4933 0.814E-02 0.836E-02 RMM: 5 -0.343942067607E+03 0.33927E-04 -0.18279E-04 4402 0.302E-02 0.816E-02 RMM: 6 -0.343942032049E+03 0.35558E-04 -0.27791E-05 2601 0.161E-02 0.516E-02 RMM: 7 -0.343942043419E+03 -0.11371E-04 -0.28783E-05 2644 0.163E-02 5598 T= 6604. E= 0.67556767E+03 F= 0.61232695E+03 E0= 0.64043090E+03 EK= 0.53779E+02 SP= 0.95E+01 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.344899560803E+03 -0.95753E+00 -0.13611E-01 8488 0.240E+01 0.244E-01 RMM: 2 -0.344921949890E+03 -0.22389E-01 -0.12489E-01 4954 0.785E-01 0.128E+00 RMM: 3 -0.344909799078E+03 0.12151E-01 -0.13249E-02 5461 0.255E-01 0.238E-01 RMM: 4 -0.344909436413E+03 0.36266E-03 -0.13083E-03 4790 0.776E-02 0.119E-01 RMM: 5 -0.344909420401E+03 0.16012E-04 -0.19517E-04 3898 0.359E-02 5599 T= 6716. E= 0.67556448E+03 F= 0.61135957E+03 E0= 0.63947661E+03 EK= 0.54691E+02 SP= 0.95E+01 SK= 0.60E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.345577742393E+03 -0.66831E+00 -0.13954E-01 8312 0.242E+01 0.197E-01 RMM: 2 -0.345600456917E+03 -0.22715E-01 -0.14463E-01 5007 0.846E-01 0.116E+00 RMM: 3 -0.345590244978E+03 0.10212E-01 -0.15058E-02 5609 0.247E-01 0.173E-01 RMM: 4 -0.345589930702E+03 0.31428E-03 -0.95673E-04 5279 0.617E-02 0.884E-02 RMM: 5 -0.345589868640E+03 0.62062E-04 -0.91654E-05 3835 0.275E-02 0.666E-02 RMM: 6 -0.345589858016E+03 0.10624E-04 -0.25956E-05 2555 0.155E-02 5600 T= 6792. E= 0.67556269E+03 F= 0.61067913E+03 E0= 0.63881057E+03 EK= 0.55309E+02 SP= 0.96E+01 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.345933287520E+03 -0.34342E+00 -0.12822E-01 7776 0.243E+01 0.278E-01 RMM: 2 -0.345963363544E+03 -0.30076E-01 -0.12254E-01 4828 0.809E-01 0.166E+00 RMM: 3 -0.345943316123E+03 0.20047E-01 -0.15628E-02 5402 0.284E-01 0.241E-01 RMM: 4 -0.345942897727E+03 0.41840E-03 -0.15841E-03 5003 0.789E-02 0.874E-02 RMM: 5 -0.345942860452E+03 0.37275E-04 -0.16559E-04 4004 0.310E-02 0.764E-02 RMM: 6 -0.345942824354E+03 0.36098E-04 -0.29413E-05 2735 0.164E-02 0.395E-02 RMM: 7 -0.345942827303E+03 -0.29486E-05 -0.16662E-05 2507 0.133E-02 5601 T= 6826. E= 0.67556038E+03 F= 0.61032616E+03 E0= 0.63847291E+03 EK= 0.55587E+02 SP= 0.96E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345930794687E+03 0.12030E-01 -0.11907E-01 7536 0.244E+01 0.308E-01 RMM: 2 -0.345961606640E+03 -0.30812E-01 -0.10877E-01 4921 0.764E-01 0.178E+00 RMM: 3 -0.345939199622E+03 0.22407E-01 -0.14950E-02 5383 0.285E-01 0.261E-01 RMM: 4 -0.345938714314E+03 0.48531E-03 -0.16373E-03 4854 0.843E-02 0.112E-01 RMM: 5 -0.345938675602E+03 0.38712E-04 -0.20002E-04 3922 0.350E-02 0.102E-01 RMM: 6 -0.345938603965E+03 0.71637E-04 -0.44120E-05 3057 0.201E-02 0.350E-02 RMM: 7 -0.345938602745E+03 0.12196E-05 -0.17032E-05 2516 0.129E-02 5602 T= 6815. E= 0.67556006E+03 F= 0.61033039E+03 E0= 0.63849236E+03 EK= 0.55496E+02 SP= 0.97E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345558237234E+03 0.38037E+00 -0.11873E-01 7912 0.243E+01 0.210E-01 RMM: 2 -0.345573804797E+03 -0.15568E-01 -0.95086E-02 4950 0.711E-01 0.104E+00 RMM: 3 -0.345566198935E+03 0.76059E-02 -0.10801E-02 5560 0.219E-01 0.212E-01 RMM: 4 -0.345565826718E+03 0.37222E-03 -0.84122E-04 4761 0.614E-02 0.802E-02 RMM: 5 -0.345565795608E+03 0.31110E-04 -0.10846E-04 3796 0.275E-02 0.677E-02 RMM: 6 -0.345565769380E+03 0.26228E-04 -0.23955E-05 2595 0.146E-02 0.441E-02 RMM: 7 -0.345565774580E+03 -0.52004E-05 -0.20223E-05 2535 0.140E-02 5603 T= 6757. E= 0.67556120E+03 F= 0.61070321E+03 E0= 0.63888044E+03 EK= 0.55026E+02 SP= 0.98E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344826149201E+03 0.73962E+00 -0.11621E-01 7864 0.242E+01 0.159E-01 RMM: 2 -0.344837473406E+03 -0.11324E-01 -0.91231E-02 4874 0.699E-01 0.699E-01 RMM: 3 -0.344833973224E+03 0.35002E-02 -0.10509E-02 5869 0.197E-01 0.128E-01 RMM: 4 -0.344833791061E+03 0.18216E-03 -0.55122E-04 4648 0.537E-02 0.112E-01 RMM: 5 -0.344833708869E+03 0.82192E-04 -0.84674E-05 3534 0.266E-02 0.574E-02 RMM: 6 -0.344833692527E+03 0.16342E-04 -0.22961E-05 2550 0.144E-02 5604 T= 6654. E= 0.67556410E+03 F= 0.61143530E+03 E0= 0.63962728E+03 EK= 0.54189E+02 SP= 0.99E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.343770671769E+03 0.10630E+01 -0.11548E-01 7712 0.240E+01 0.160E-01 RMM: 2 -0.343782554917E+03 -0.11883E-01 -0.88649E-02 5012 0.674E-01 0.770E-01 RMM: 3 -0.343778178656E+03 0.43763E-02 -0.96810E-03 5793 0.192E-01 0.152E-01 RMM: 4 -0.343777938999E+03 0.23966E-03 -0.54988E-04 4638 0.511E-02 0.803E-02 RMM: 5 -0.343777893027E+03 0.45973E-04 -0.65357E-05 3423 0.224E-02 0.625E-02 RMM: 6 -0.343777880131E+03 0.12896E-04 -0.21131E-05 2527 0.137E-02 5605 T= 6512. E= 0.67556970E+03 F= 0.61249111E+03 E0= 0.64069634E+03 EK= 0.53028E+02 SP= 0.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342458255042E+03 0.13196E+01 -0.11491E-01 7920 0.237E+01 0.289E-01 RMM: 2 -0.342484161101E+03 -0.25906E-01 -0.86184E-02 5024 0.698E-01 0.167E+00 RMM: 3 -0.342464598443E+03 0.19563E-01 -0.12354E-02 5389 0.264E-01 0.248E-01 RMM: 4 -0.342464139873E+03 0.45857E-03 -0.13046E-03 4880 0.702E-02 0.756E-02 RMM: 5 -0.342464109223E+03 0.30649E-04 -0.11837E-04 3840 0.282E-02 0.766E-02 RMM: 6 -0.342464077828E+03 0.31395E-04 -0.23983E-05 2566 0.147E-02 0.498E-02 RMM: 7 -0.342464087936E+03 -0.10108E-04 -0.28581E-05 2671 0.164E-02 5606 T= 6338. E= 0.67557731E+03 F= 0.61380490E+03 E0= 0.64202170E+03 EK= 0.51612E+02 SP= 0.10E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340979732993E+03 0.14843E+01 -0.11466E-01 7904 0.234E+01 0.268E-01 RMM: 2 -0.340999782240E+03 -0.20049E-01 -0.87238E-02 4978 0.682E-01 0.138E+00 RMM: 3 -0.340986420249E+03 0.13362E-01 -0.11198E-02 5410 0.242E-01 0.265E-01 RMM: 4 -0.340985977028E+03 0.44322E-03 -0.13391E-03 4708 0.794E-02 0.121E-01 RMM: 5 -0.340985991187E+03 -0.14159E-04 -0.20598E-04 3893 0.366E-02 0.132E-01 RMM: 6 -0.340985868649E+03 0.12254E-03 -0.61089E-05 3382 0.232E-02 0.306E-02 RMM: 7 -0.340985869276E+03 -0.62690E-06 -0.16267E-05 2517 0.123E-02 5607 T= 6145. E= 0.67558633E+03 F= 0.61528312E+03 E0= 0.64350876E+03 EK= 0.50043E+02 SP= 0.10E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339450454308E+03 0.15354E+01 -0.11624E-01 7960 0.229E+01 0.200E-01 RMM: 2 -0.339465197020E+03 -0.14743E-01 -0.87831E-02 5023 0.678E-01 0.104E+00 RMM: 3 -0.339457569213E+03 0.76278E-02 -0.97782E-03 5625 0.207E-01 0.171E-01 RMM: 4 -0.339457315338E+03 0.25387E-03 -0.72694E-04 4883 0.547E-02 0.773E-02 RMM: 5 -0.339457269155E+03 0.46183E-04 -0.79785E-05 3650 0.239E-02 0.639E-02 RMM: 6 -0.339457247651E+03 0.21504E-04 -0.22210E-05 2555 0.142E-02 0.441E-02 RMM: 7 -0.339457245566E+03 0.20846E-05 -0.22147E-05 2586 0.133E-02 5608 T= 5948. E= 0.67559620E+03 F= 0.61681174E+03 E0= 0.64504471E+03 EK= 0.48440E+02 SP= 0.10E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337995191254E+03 0.14621E+01 -0.11531E-01 8040 0.225E+01 0.141E-01 RMM: 2 -0.338005296223E+03 -0.10105E-01 -0.87763E-02 4950 0.677E-01 0.586E-01 RMM: 3 -0.338002679452E+03 0.26168E-02 -0.93563E-03 6070 0.178E-01 0.125E-01 RMM: 4 -0.338002446152E+03 0.23330E-03 -0.42277E-04 4610 0.471E-02 0.810E-02 RMM: 5 -0.338002404227E+03 0.41925E-04 -0.57143E-05 3271 0.232E-02 0.516E-02 RMM: 6 -0.338002392255E+03 0.11972E-04 -0.19213E-05 2517 0.133E-02 5609 T= 5763. E= 0.67560549E+03 F= 0.61826660E+03 E0= 0.64650489E+03 EK= 0.46931E+02 SP= 0.10E+02 SK= 0.62E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336730186711E+03 0.12722E+01 -0.11047E-01 7968 0.221E+01 0.179E-01 RMM: 2 -0.336744075407E+03 -0.13889E-01 -0.97405E-02 4905 0.711E-01 0.880E-01 RMM: 3 -0.336738447533E+03 0.56279E-02 -0.11056E-02 5702 0.207E-01 0.161E-01 RMM: 4 -0.336738160908E+03 0.28662E-03 -0.66748E-04 4965 0.534E-02 0.742E-02 RMM: 5 -0.336738122039E+03 0.38870E-04 -0.69443E-05 3449 0.235E-02 0.596E-02 RMM: 6 -0.336738108127E+03 0.13911E-04 -0.20766E-05 2527 0.138E-02 5610 T= 5604. E= 0.67561324E+03 F= 0.61953088E+03 E0= 0.64777457E+03 EK= 0.45639E+02 SP= 0.10E+02 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335750943391E+03 0.98718E+00 -0.10249E-01 7744 0.218E+01 0.243E-01 RMM: 2 -0.335770792292E+03 -0.19849E-01 -0.78461E-02 5025 0.657E-01 0.140E+00 RMM: 3 -0.335757111458E+03 0.13681E-01 -0.10079E-02 5400 0.231E-01 0.247E-01 RMM: 4 -0.335756656117E+03 0.45534E-03 -0.10591E-03 4724 0.672E-02 0.715E-02 RMM: 5 -0.335756641017E+03 0.15100E-04 -0.11933E-04 3984 0.268E-02 5611 T= 5484. E= 0.67561874E+03 F= 0.62051235E+03 E0= 0.64876260E+03 EK= 0.44656E+02 SP= 0.10E+02 SK= 0.31E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335104261486E+03 0.65239E+00 -0.10130E-01 7776 0.216E+01 0.202E-01 RMM: 2 -0.335121533537E+03 -0.17272E-01 -0.85119E-02 4999 0.667E-01 0.119E+00 RMM: 3 -0.335111481044E+03 0.10052E-01 -0.10001E-02 5451 0.214E-01 0.219E-01 RMM: 4 -0.335111112355E+03 0.36869E-03 -0.89843E-04 4735 0.623E-02 0.758E-02 RMM: 5 -0.335111086706E+03 0.25649E-04 -0.99251E-05 3993 0.242E-02 0.700E-02 RMM: 6 -0.335111067585E+03 0.19121E-04 -0.21161E-05 2543 0.139E-02 5612 T= 5408. E= 0.67562093E+03 F= 0.62115792E+03 E0= 0.64941761E+03 EK= 0.44040E+02 SP= 0.10E+02 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334799999863E+03 0.31109E+00 -0.10240E-01 7600 0.215E+01 0.267E-01 RMM: 2 -0.334819449671E+03 -0.19450E-01 -0.86224E-02 4907 0.697E-01 0.134E+00 RMM: 3 -0.334806777989E+03 0.12672E-01 -0.11836E-02 5374 0.251E-01 0.234E-01 RMM: 4 -0.334806392623E+03 0.38537E-03 -0.12100E-03 4858 0.679E-02 0.784E-02 RMM: 5 -0.334806383398E+03 0.92243E-05 -0.13634E-04 3853 0.291E-02 5613 T= 5378. E= 0.67562035E+03 F= 0.62146261E+03 E0= 0.64973581E+03 EK= 0.43795E+02 SP= 0.10E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334794600293E+03 0.11792E-01 -0.10142E-01 7952 0.215E+01 0.247E-01 RMM: 2 -0.334814886602E+03 -0.20286E-01 -0.83075E-02 4981 0.679E-01 0.138E+00 RMM: 3 -0.334801355111E+03 0.13531E-01 -0.10970E-02 5390 0.240E-01 0.233E-01 RMM: 4 -0.334800978394E+03 0.37672E-03 -0.11283E-03 4870 0.658E-02 0.867E-02 RMM: 5 -0.334800934724E+03 0.43670E-04 -0.11916E-04 3841 0.286E-02 0.655E-02 RMM: 6 -0.334800912162E+03 0.22562E-04 -0.24445E-05 2597 0.147E-02 0.436E-02 RMM: 7 -0.334800918621E+03 -0.64588E-05 -0.19619E-05 2534 0.138E-02 5614 T= 5389. E= 0.67561709E+03 F= 0.62146807E+03 E0= 0.64975853E+03 EK= 0.43883E+02 SP= 0.10E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335010610374E+03 -0.20970E+00 -0.10898E-01 7920 0.216E+01 0.191E-01 RMM: 2 -0.335024253403E+03 -0.13643E-01 -0.96564E-02 4786 0.730E-01 0.875E-01 RMM: 3 -0.335018796346E+03 0.54571E-02 -0.11258E-02 5709 0.210E-01 0.150E-01 RMM: 4 -0.335018600671E+03 0.19567E-03 -0.74657E-04 4776 0.595E-02 0.118E-01 RMM: 5 -0.335018526064E+03 0.74607E-04 -0.11383E-04 3737 0.277E-02 0.705E-02 RMM: 6 -0.335018494313E+03 0.31752E-04 -0.28809E-05 2806 0.164E-02 0.220E-02 RMM: 7 -0.335018496286E+03 -0.19737E-05 -0.12347E-05 2489 0.115E-02 5615 T= 5431. E= 0.67561129E+03 F= 0.62125049E+03 E0= 0.64956260E+03 EK= 0.44227E+02 SP= 0.10E+02 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335354981450E+03 -0.33649E+00 -0.10600E-01 8200 0.217E+01 0.156E-01 RMM: 2 -0.335366188605E+03 -0.11207E-01 -0.91025E-02 4963 0.702E-01 0.696E-01 RMM: 3 -0.335362873688E+03 0.33149E-02 -0.10520E-02 5962 0.192E-01 0.127E-01 RMM: 4 -0.335362638701E+03 0.23499E-03 -0.49498E-04 4663 0.499E-02 0.998E-02 RMM: 5 -0.335362568815E+03 0.69886E-04 -0.74279E-05 3500 0.252E-02 0.540E-02 RMM: 6 -0.335362557773E+03 0.11042E-04 -0.19229E-05 2526 0.128E-02 5616 T= 5493. E= 0.67560479E+03 F= 0.62090643E+03 E0= 0.64924300E+03 EK= 0.44733E+02 SP= 0.99E+01 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335722733216E+03 -0.36016E+00 -0.10775E-01 8472 0.219E+01 0.160E-01 RMM: 2 -0.335735663079E+03 -0.12930E-01 -0.90075E-02 4991 0.684E-01 0.839E-01 RMM: 3 -0.335730532250E+03 0.51308E-02 -0.10187E-02 5716 0.200E-01 0.150E-01 RMM: 4 -0.335730304118E+03 0.22813E-03 -0.59363E-04 4823 0.508E-02 0.748E-02 RMM: 5 -0.335730271414E+03 0.32704E-04 -0.64526E-05 3291 0.228E-02 0.592E-02 RMM: 6 -0.335730263770E+03 0.76433E-05 -0.20734E-05 2525 0.136E-02 5617 T= 5563. E= 0.67559900E+03 F= 0.62053873E+03 E0= 0.64890252E+03 EK= 0.45298E+02 SP= 0.96E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336020812493E+03 -0.29054E+00 -0.11187E-01 8536 0.221E+01 0.307E-01 RMM: 2 -0.336050209195E+03 -0.29397E-01 -0.97858E-02 5021 0.744E-01 0.178E+00 RMM: 3 -0.336028373148E+03 0.21836E-01 -0.14087E-02 5390 0.279E-01 0.292E-01 RMM: 4 -0.336027763886E+03 0.60926E-03 -0.15758E-03 4766 0.814E-02 0.926E-02 RMM: 5 -0.336027736671E+03 0.27215E-04 -0.18179E-04 3930 0.328E-02 0.901E-02 RMM: 6 -0.336027688408E+03 0.48262E-04 -0.32562E-05 2761 0.173E-02 0.494E-02 RMM: 7 -0.336027689307E+03 -0.89845E-06 -0.20265E-05 2527 0.144E-02 5618 T= 5627. E= 0.67559413E+03 F= 0.62024130E+03 E0= 0.64863369E+03 EK= 0.45827E+02 SP= 0.94E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336168702771E+03 -0.14101E+00 -0.11538E-01 8376 0.222E+01 0.251E-01 RMM: 2 -0.336188356191E+03 -0.19653E-01 -0.95807E-02 5091 0.700E-01 0.129E+00 RMM: 3 -0.336176437781E+03 0.11918E-01 -0.11800E-02 5396 0.244E-01 0.263E-01 RMM: 4 -0.336175973722E+03 0.46406E-03 -0.12858E-03 4786 0.742E-02 0.885E-02 RMM: 5 -0.336175965432E+03 0.82901E-05 -0.16739E-04 3901 0.319E-02 5619 T= 5678. E= 0.67559095E+03 F= 0.62009302E+03 E0= 0.64851452E+03 EK= 0.46240E+02 SP= 0.90E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336108509786E+03 0.67464E-01 -0.12164E-01 8800 0.223E+01 0.170E-01 RMM: 2 -0.336124585924E+03 -0.16076E-01 -0.10156E-01 5236 0.689E-01 0.100E+00 RMM: 3 -0.336116920988E+03 0.76649E-02 -0.91931E-03 5558 0.198E-01 0.159E-01 RMM: 4 -0.336116693874E+03 0.22711E-03 -0.66344E-04 4937 0.521E-02 0.844E-02 RMM: 5 -0.336116645145E+03 0.48729E-04 -0.71163E-05 3540 0.235E-02 0.636E-02 RMM: 6 -0.336116636705E+03 0.84403E-05 -0.27424E-05 2586 0.155E-02 5620 T= 5707. E= 0.67558928E+03 F= 0.62015235E+03 E0= 0.64860145E+03 EK= 0.46476E+02 SP= 0.87E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335808725017E+03 0.30792E+00 -0.12699E-01 8176 0.224E+01 0.257E-01 RMM: 2 -0.335832829748E+03 -0.24105E-01 -0.10977E-01 4921 0.746E-01 0.145E+00 RMM: 3 -0.335817584532E+03 0.15245E-01 -0.13022E-02 5457 0.252E-01 0.217E-01 RMM: 4 -0.335817238687E+03 0.34585E-03 -0.12300E-03 4816 0.716E-02 0.943E-02 RMM: 5 -0.335817226936E+03 0.11751E-04 -0.15309E-04 3893 0.305E-02 5621 T= 5710. E= 0.67558955E+03 F= 0.62045176E+03 E0= 0.64892714E+03 EK= 0.46502E+02 SP= 0.83E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335259205774E+03 0.55803E+00 -0.12602E-01 8408 0.224E+01 0.226E-01 RMM: 2 -0.335282044316E+03 -0.22839E-01 -0.11597E-01 5055 0.767E-01 0.135E+00 RMM: 3 -0.335268820357E+03 0.13224E-01 -0.12540E-02 5481 0.245E-01 0.210E-01 RMM: 4 -0.335268468539E+03 0.35182E-03 -0.10844E-03 4961 0.660E-02 0.909E-02 RMM: 5 -0.335268411417E+03 0.57121E-04 -0.11946E-04 3882 0.288E-02 0.709E-02 RMM: 6 -0.335268387616E+03 0.23801E-04 -0.25877E-05 2561 0.150E-02 0.503E-02 RMM: 7 -0.335268390873E+03 -0.32567E-05 -0.27946E-05 2635 0.153E-02 5622 T= 5686. E= 0.67559158E+03 F= 0.62100060E+03 E0= 0.64949782E+03 EK= 0.46305E+02 SP= 0.79E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334476294977E+03 0.79209E+00 -0.13407E-01 8320 0.224E+01 0.163E-01 RMM: 2 -0.334491656062E+03 -0.15361E-01 -0.12045E-01 4902 0.788E-01 0.782E-01 RMM: 3 -0.334486748808E+03 0.49073E-02 -0.12233E-02 5896 0.214E-01 0.136E-01 RMM: 4 -0.334486526240E+03 0.22257E-03 -0.65246E-04 4716 0.584E-02 0.108E-01 RMM: 5 -0.334486467822E+03 0.58418E-04 -0.94779E-05 3577 0.272E-02 0.652E-02 RMM: 6 -0.334486442553E+03 0.25269E-04 -0.25910E-05 2592 0.157E-02 0.229E-02 RMM: 7 -0.334486448040E+03 -0.54867E-05 -0.11978E-05 2486 0.113E-02 5623 T= 5637. E= 0.67559456E+03 F= 0.62178254E+03 E0= 0.65029796E+03 EK= 0.45902E+02 SP= 0.75E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333501773833E+03 0.98467E+00 -0.12781E-01 8504 0.223E+01 0.148E-01 RMM: 2 -0.333515053405E+03 -0.13280E-01 -0.11743E-01 4948 0.774E-01 0.616E-01 RMM: 3 -0.333511953181E+03 0.31002E-02 -0.12019E-02 6167 0.204E-01 0.115E-01 RMM: 4 -0.333511723902E+03 0.22928E-03 -0.51407E-04 4614 0.539E-02 0.114E-01 RMM: 5 -0.333511627222E+03 0.96680E-04 -0.85272E-05 3520 0.268E-02 0.533E-02 RMM: 6 -0.333511614168E+03 0.13054E-04 -0.23143E-05 2546 0.140E-02 5624 T= 5567. E= 0.67559938E+03 F= 0.62275738E+03 E0= 0.65128483E+03 EK= 0.45332E+02 SP= 0.70E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332393472092E+03 0.11182E+01 -0.12526E-01 8080 0.222E+01 0.164E-01 RMM: 2 -0.332410101526E+03 -0.16629E-01 -0.12451E-01 4855 0.808E-01 0.873E-01 RMM: 3 -0.332404334058E+03 0.57675E-02 -0.13583E-02 5915 0.221E-01 0.146E-01 RMM: 4 -0.332404013890E+03 0.32017E-03 -0.61528E-04 4885 0.552E-02 0.787E-02 RMM: 5 -0.332403973895E+03 0.39995E-04 -0.79493E-05 3583 0.259E-02 0.599E-02 RMM: 6 -0.332403961577E+03 0.12318E-04 -0.23905E-05 2551 0.149E-02 5625 T= 5484. E= 0.67560557E+03 F= 0.62386503E+03 E0= 0.65239841E+03 EK= 0.44655E+02 SP= 0.65E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331234324095E+03 0.11696E+01 -0.11284E-01 8080 0.220E+01 0.331E-01 RMM: 2 -0.331266276087E+03 -0.31952E-01 -0.11034E-01 4871 0.801E-01 0.183E+00 RMM: 3 -0.331242725879E+03 0.23550E-01 -0.16078E-02 5382 0.302E-01 0.314E-01 RMM: 4 -0.331241986402E+03 0.73948E-03 -0.17833E-03 4902 0.874E-02 0.838E-02 RMM: 5 -0.331241979891E+03 0.65116E-05 -0.21017E-04 4079 0.320E-02 0.968E-02 RMM: 6 -0.331241920010E+03 0.59881E-04 -0.37124E-05 2973 0.185E-02 0.406E-02 RMM: 7 -0.331241923090E+03 -0.30798E-05 -0.17584E-05 2520 0.132E-02 5626 T= 5397. E= 0.67561216E+03 F= 0.62502707E+03 E0= 0.65355999E+03 EK= 0.43950E+02 SP= 0.60E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330104865042E+03 0.11371E+01 -0.11056E-01 7824 0.219E+01 0.273E-01 RMM: 2 -0.330128561762E+03 -0.23697E-01 -0.10951E-01 4892 0.769E-01 0.143E+00 RMM: 3 -0.330113890681E+03 0.14671E-01 -0.14224E-02 5389 0.271E-01 0.299E-01 RMM: 4 -0.330113290768E+03 0.59991E-03 -0.15849E-03 4894 0.837E-02 0.108E-01 RMM: 5 -0.330113293700E+03 -0.29326E-05 -0.21842E-04 3907 0.363E-02 0.119E-01 RMM: 6 -0.330113196353E+03 0.97347E-04 -0.54243E-05 3249 0.216E-02 0.345E-02 RMM: 7 -0.330113195318E+03 0.10347E-05 -0.17414E-05 2519 0.127E-02 5627 T= 5318. E= 0.67561921E+03 F= 0.62615579E+03 E0= 0.65468280E+03 EK= 0.43307E+02 SP= 0.54E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329099262292E+03 0.10139E+01 -0.10652E-01 7856 0.217E+01 0.268E-01 RMM: 2 -0.329123051415E+03 -0.23789E-01 -0.11093E-01 4857 0.803E-01 0.147E+00 RMM: 3 -0.329108256391E+03 0.14795E-01 -0.13938E-02 5455 0.260E-01 0.252E-01 RMM: 4 -0.329107753662E+03 0.50273E-03 -0.12412E-03 4831 0.717E-02 0.853E-02 RMM: 5 -0.329107727699E+03 0.25964E-04 -0.15901E-04 3895 0.316E-02 0.831E-02 RMM: 6 -0.329107681989E+03 0.45710E-04 -0.33522E-05 2856 0.172E-02 0.394E-02 RMM: 7 -0.329107683045E+03 -0.10556E-05 -0.17174E-05 2512 0.133E-02 5628 T= 5258. E= 0.67562590E+03 F= 0.62716131E+03 E0= 0.65567726E+03 EK= 0.42818E+02 SP= 0.48E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328300141329E+03 0.80754E+00 -0.99139E-02 7784 0.216E+01 0.181E-01 RMM: 2 -0.328313909241E+03 -0.13768E-01 -0.10420E-01 4794 0.762E-01 0.815E-01 RMM: 3 -0.328309150585E+03 0.47587E-02 -0.12418E-02 5740 0.214E-01 0.155E-01 RMM: 4 -0.328308884097E+03 0.26649E-03 -0.72487E-04 4918 0.575E-02 0.906E-02 RMM: 5 -0.328308834493E+03 0.49604E-04 -0.99257E-05 3729 0.271E-02 0.617E-02 RMM: 6 -0.328308812284E+03 0.22209E-04 -0.23782E-05 2572 0.146E-02 0.327E-02 RMM: 7 -0.328308813634E+03 -0.13504E-05 -0.14175E-05 2498 0.119E-02 5629 T= 5227. E= 0.67563080E+03 F= 0.62796018E+03 E0= 0.65646160E+03 EK= 0.42567E+02 SP= 0.41E+01 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327772654921E+03 0.53616E+00 -0.10680E-01 7696 0.216E+01 0.186E-01 RMM: 2 -0.327788786281E+03 -0.16131E-01 -0.12686E-01 4706 0.857E-01 0.842E-01 RMM: 3 -0.327783698123E+03 0.50882E-02 -0.15015E-02 5932 0.225E-01 0.160E-01 RMM: 4 -0.327783321742E+03 0.37638E-03 -0.75964E-04 4879 0.631E-02 0.974E-02 RMM: 5 -0.327783278433E+03 0.43309E-04 -0.11616E-04 3752 0.290E-02 0.753E-02 RMM: 6 -0.327783241726E+03 0.36708E-04 -0.30343E-05 2748 0.167E-02 0.327E-02 RMM: 7 -0.327783242759E+03 -0.10338E-05 -0.18511E-05 2512 0.134E-02 5630 T= 5234. E= 0.67563369E+03 F= 0.62848575E+03 E0= 0.65696926E+03 EK= 0.42626E+02 SP= 0.34E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327565949335E+03 0.21729E+00 -0.95139E-02 7776 0.216E+01 0.166E-01 RMM: 2 -0.327576188932E+03 -0.10240E-01 -0.79792E-02 4894 0.677E-01 0.706E-01 RMM: 3 -0.327572651593E+03 0.35373E-02 -0.91181E-03 5803 0.186E-01 0.142E-01 RMM: 4 -0.327572434154E+03 0.21744E-03 -0.51039E-04 4715 0.491E-02 0.804E-02 RMM: 5 -0.327572393593E+03 0.40560E-04 -0.71382E-05 3491 0.237E-02 0.558E-02 RMM: 6 -0.327572377170E+03 0.16423E-04 -0.21374E-05 2549 0.139E-02 5631 T= 5285. E= 0.67563396E+03 F= 0.62869661E+03 E0= 0.65715993E+03 EK= 0.43039E+02 SP= 0.26E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327675399887E+03 -0.10301E+00 -0.94773E-02 7704 0.217E+01 0.173E-01 RMM: 2 -0.327687783660E+03 -0.12384E-01 -0.66004E-02 5012 0.613E-01 0.989E-01 RMM: 3 -0.327680850204E+03 0.69335E-02 -0.73676E-03 5455 0.184E-01 0.167E-01 RMM: 4 -0.327680653524E+03 0.19668E-03 -0.58858E-04 4705 0.496E-02 0.672E-02 RMM: 5 -0.327680625420E+03 0.28104E-04 -0.69497E-05 3469 0.232E-02 0.579E-02 RMM: 6 -0.327680609074E+03 0.16346E-04 -0.20926E-05 2545 0.137E-02 5632 T= 5381. E= 0.67563172E+03 F= 0.62858838E+03 E0= 0.65702858E+03 EK= 0.43816E+02 SP= 0.18E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328068382986E+03 -0.38776E+00 -0.93278E-02 7648 0.220E+01 0.227E-01 RMM: 2 -0.328084779254E+03 -0.16396E-01 -0.60164E-02 5072 0.609E-01 0.131E+00 RMM: 3 -0.328072985518E+03 0.11794E-01 -0.81437E-03 5358 0.214E-01 0.209E-01 RMM: 4 -0.328072672363E+03 0.31315E-03 -0.84728E-04 4661 0.595E-02 0.684E-02 RMM: 5 -0.328072660234E+03 0.12129E-04 -0.96493E-05 3742 0.255E-02 5633 T= 5517. E= 0.67562751E+03 F= 0.62819633E+03 E0= 0.65661102E+03 EK= 0.44925E+02 SP= 0.95E+00 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328672415651E+03 -0.59974E+00 -0.98318E-02 7864 0.223E+01 0.193E-01 RMM: 2 -0.328683618831E+03 -0.11203E-01 -0.59657E-02 5097 0.593E-01 0.959E-01 RMM: 3 -0.328677326407E+03 0.62924E-02 -0.71269E-03 5372 0.189E-01 0.217E-01 RMM: 4 -0.328676992778E+03 0.33363E-03 -0.68083E-04 4682 0.538E-02 0.655E-02 RMM: 5 -0.328676971894E+03 0.20884E-04 -0.80627E-05 3601 0.240E-02 0.638E-02 RMM: 6 -0.328676949660E+03 0.22234E-04 -0.20438E-05 2541 0.135E-02 0.430E-02 RMM: 7 -0.328676957704E+03 -0.80439E-05 -0.24691E-05 2587 0.146E-02 5634 T= 5685. E= 0.67562117E+03 F= 0.62759203E+03 E0= 0.65597980E+03 EK= 0.46297E+02 SP= 0.56E-01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329391825085E+03 -0.71488E+00 -0.10763E-01 7656 0.227E+01 0.187E-01 RMM: 2 -0.329401766267E+03 -0.99412E-02 -0.70833E-02 4876 0.644E-01 0.774E-01 RMM: 3 -0.329397559680E+03 0.42066E-02 -0.84202E-03 5563 0.185E-01 0.139E-01 RMM: 4 -0.329397483883E+03 0.75797E-04 -0.62637E-04 4612 0.549E-02 0.136E-01 RMM: 5 -0.329397400114E+03 0.83769E-04 -0.11824E-04 3744 0.294E-02 0.844E-02 RMM: 6 -0.329397353772E+03 0.46342E-04 -0.37733E-05 3050 0.185E-02 0.200E-02 RMM: 7 -0.329397360043E+03 -0.62708E-05 -0.12064E-05 2488 0.113E-02 5635 T= 5874. E= 0.67561357E+03 F= 0.62687163E+03 E0= 0.65523081E+03 EK= 0.47836E+02 SP= -.87E+00 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330122583141E+03 -0.72523E+00 -0.11015E-01 7832 0.230E+01 0.140E-01 RMM: 2 -0.330131180051E+03 -0.85969E-02 -0.71839E-02 4927 0.649E-01 0.592E-01 RMM: 3 -0.330128833039E+03 0.23470E-02 -0.82771E-03 5804 0.171E-01 0.133E-01 RMM: 4 -0.330128641903E+03 0.19114E-03 -0.41383E-04 4426 0.476E-02 0.908E-02 RMM: 5 -0.330128578772E+03 0.63131E-04 -0.74028E-05 3471 0.254E-02 0.553E-02 RMM: 6 -0.330128562043E+03 0.16729E-04 -0.22792E-05 2541 0.141E-02 5636 T= 6071. E= 0.67560668E+03 F= 0.62614043E+03 E0= 0.65447040E+03 EK= 0.49436E+02 SP= -.18E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330762901410E+03 -0.63432E+00 -0.11949E-01 7760 0.234E+01 0.171E-01 RMM: 2 -0.330776730640E+03 -0.13829E-01 -0.96456E-02 4780 0.750E-01 0.870E-01 RMM: 3 -0.330771387732E+03 0.53429E-02 -0.11781E-02 5675 0.208E-01 0.164E-01 RMM: 4 -0.330771082432E+03 0.30530E-03 -0.66832E-04 4748 0.570E-02 0.715E-02 RMM: 5 -0.330771055138E+03 0.27294E-04 -0.89233E-05 3717 0.265E-02 0.576E-02 RMM: 6 -0.330771040446E+03 0.14692E-04 -0.23424E-05 2545 0.143E-02 5637 T= 6262. E= 0.67560192E+03 F= 0.62549795E+03 E0= 0.65380178E+03 EK= 0.50993E+02 SP= -.28E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331243375583E+03 -0.47232E+00 -0.11329E-01 7568 0.237E+01 0.260E-01 RMM: 2 -0.331263837780E+03 -0.20462E-01 -0.81295E-02 4874 0.709E-01 0.142E+00 RMM: 3 -0.331249872032E+03 0.13966E-01 -0.11369E-02 5356 0.247E-01 0.252E-01 RMM: 4 -0.331249451850E+03 0.42018E-03 -0.12190E-03 4705 0.733E-02 0.101E-01 RMM: 5 -0.331249428773E+03 0.23077E-04 -0.16206E-04 3877 0.325E-02 0.991E-02 RMM: 6 -0.331249363629E+03 0.65144E-04 -0.40116E-05 3017 0.193E-02 0.386E-02 RMM: 7 -0.331249363331E+03 0.29832E-06 -0.17263E-05 2504 0.131E-02 5638 T= 6438. E= 0.67559930E+03 F= 0.62501963E+03 E0= 0.65330098E+03 EK= 0.52425E+02 SP= -.38E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331514701580E+03 -0.26534E+00 -0.11628E-01 7592 0.239E+01 0.230E-01 RMM: 2 -0.331532784127E+03 -0.18083E-01 -0.95983E-02 4863 0.744E-01 0.120E+00 RMM: 3 -0.331522695662E+03 0.10088E-01 -0.11932E-02 5425 0.235E-01 0.226E-01 RMM: 4 -0.331522344412E+03 0.35125E-03 -0.10775E-03 4736 0.699E-02 0.976E-02 RMM: 5 -0.331522328999E+03 0.15413E-04 -0.15693E-04 3891 0.312E-02 5639 T= 6592. E= 0.67559925E+03 F= 0.62474666E+03 E0= 0.65301119E+03 EK= 0.53681E+02 SP= -.48E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331577535751E+03 -0.55191E-01 -0.11111E-01 7624 0.241E+01 0.173E-01 RMM: 2 -0.331591117188E+03 -0.13581E-01 -0.80994E-02 5009 0.681E-01 0.977E-01 RMM: 3 -0.331584415115E+03 0.67021E-02 -0.88806E-03 5538 0.191E-01 0.138E-01 RMM: 4 -0.331584256727E+03 0.15839E-03 -0.56667E-04 4685 0.513E-02 0.886E-02 RMM: 5 -0.331584199463E+03 0.57264E-04 -0.78185E-05 3652 0.241E-02 0.612E-02 RMM: 6 -0.331584188130E+03 0.11333E-04 -0.25946E-05 2556 0.149E-02 5640 T= 6723. E= 0.67560227E+03 F= 0.62468480E+03 E0= 0.65294066E+03 EK= 0.54746E+02 SP= -.57E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331457719173E+03 0.12648E+00 -0.11008E-01 7520 0.242E+01 0.227E-01 RMM: 2 -0.331475129330E+03 -0.17410E-01 -0.82611E-02 4875 0.698E-01 0.123E+00 RMM: 3 -0.331464515749E+03 0.10614E-01 -0.10693E-02 5390 0.232E-01 0.200E-01 RMM: 4 -0.331464287118E+03 0.22863E-03 -0.10065E-03 4668 0.648E-02 0.105E-01 RMM: 5 -0.331464233786E+03 0.53332E-04 -0.13443E-04 3872 0.302E-02 0.753E-02 RMM: 6 -0.331464197182E+03 0.36604E-04 -0.29734E-05 2830 0.164E-02 0.345E-02 RMM: 7 -0.331464198761E+03 -0.15788E-05 -0.13793E-05 2489 0.120E-02 5641 T= 6833. E= 0.67560625E+03 F= 0.62480479E+03 E0= 0.65306010E+03 EK= 0.55641E+02 SP= -.67E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331209030382E+03 0.25517E+00 -0.10910E-01 7496 0.243E+01 0.316E-01 RMM: 2 -0.331233674958E+03 -0.24645E-01 -0.86936E-02 5051 0.747E-01 0.165E+00 RMM: 3 -0.331215293868E+03 0.18381E-01 -0.12747E-02 5355 0.272E-01 0.289E-01 RMM: 4 -0.331214731214E+03 0.56265E-03 -0.14411E-03 4704 0.791E-02 0.101E-01 RMM: 5 -0.331214731441E+03 -0.22613E-06 -0.19887E-04 3880 0.355E-02 5642 T= 6927. E= 0.67561172E+03 F= 0.62505426E+03 E0= 0.65331655E+03 EK= 0.56408E+02 SP= -.77E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330889401592E+03 0.32533E+00 -0.11242E-01 7680 0.244E+01 0.170E-01 RMM: 2 -0.330902293647E+03 -0.12892E-01 -0.77735E-02 5070 0.677E-01 0.955E-01 RMM: 3 -0.330896035002E+03 0.62586E-02 -0.84617E-03 5548 0.189E-01 0.152E-01 RMM: 4 -0.330895839424E+03 0.19558E-03 -0.54788E-04 4781 0.491E-02 0.741E-02 RMM: 5 -0.330895796037E+03 0.43387E-04 -0.71776E-05 3557 0.229E-02 0.599E-02 RMM: 6 -0.330895784671E+03 0.11366E-04 -0.27160E-05 2571 0.153E-02 5643 T= 7012. E= 0.67561686E+03 F= 0.62537320E+03 E0= 0.65364980E+03 EK= 0.57102E+02 SP= -.86E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330556015460E+03 0.33978E+00 -0.11493E-01 7496 0.245E+01 0.267E-01 RMM: 2 -0.330579865090E+03 -0.23850E-01 -0.84564E-02 4889 0.722E-01 0.158E+00 RMM: 3 -0.330562667671E+03 0.17197E-01 -0.12570E-02 5362 0.265E-01 0.215E-01 RMM: 4 -0.330562385564E+03 0.28211E-03 -0.12586E-03 4800 0.694E-02 0.910E-02 RMM: 5 -0.330562347666E+03 0.37899E-04 -0.13901E-04 3908 0.296E-02 0.802E-02 RMM: 6 -0.330562308303E+03 0.39362E-04 -0.30172E-05 2834 0.167E-02 0.324E-02 RMM: 7 -0.330562313207E+03 -0.49040E-05 -0.15061E-05 2500 0.125E-02 5644 T= 7094. E= 0.67561989E+03 F= 0.62570668E+03 E0= 0.65400339E+03 EK= 0.57770E+02 SP= -.95E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330243392098E+03 0.31892E+00 -0.11668E-01 7624 0.247E+01 0.326E-01 RMM: 2 -0.330272711133E+03 -0.29319E-01 -0.98675E-02 4947 0.794E-01 0.181E+00 RMM: 3 -0.330250805468E+03 0.21906E-01 -0.15226E-02 5354 0.295E-01 0.300E-01 RMM: 4 -0.330250183640E+03 0.62183E-03 -0.16460E-03 4838 0.826E-02 0.835E-02 RMM: 5 -0.330250200084E+03 -0.16444E-04 -0.20475E-04 3900 0.345E-02 0.111E-01 RMM: 6 -0.330250116263E+03 0.83821E-04 -0.51761E-05 3210 0.210E-02 0.335E-02 RMM: 7 -0.330250113414E+03 0.28488E-05 -0.15524E-05 2510 0.122E-02 5645 T= 7177. E= 0.67562122E+03 F= 0.62601888E+03 E0= 0.65433970E+03 EK= 0.58444E+02 SP= -.10E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329962474435E+03 0.28764E+00 -0.11837E-01 7480 0.250E+01 0.184E-01 RMM: 2 -0.329975877503E+03 -0.13403E-01 -0.88387E-02 4886 0.722E-01 0.934E-01 RMM: 3 -0.329969917685E+03 0.59598E-02 -0.10370E-02 5574 0.209E-01 0.155E-01 RMM: 4 -0.329969704865E+03 0.21282E-03 -0.68390E-04 4831 0.550E-02 0.776E-02 RMM: 5 -0.329969679088E+03 0.25776E-04 -0.93734E-05 3703 0.259E-02 0.696E-02 RMM: 6 -0.329969649507E+03 0.29581E-04 -0.24263E-05 2560 0.148E-02 0.339E-02 RMM: 7 -0.329969653831E+03 -0.43233E-05 -0.16911E-05 2502 0.126E-02 5646 T= 7261. E= 0.67562091E+03 F= 0.62629934E+03 E0= 0.65464574E+03 EK= 0.59132E+02 SP= -.11E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329706252583E+03 0.26340E+00 -0.12391E-01 7528 0.253E+01 0.178E-01 RMM: 2 -0.329718719482E+03 -0.12467E-01 -0.94112E-02 4826 0.753E-01 0.804E-01 RMM: 3 -0.329714339180E+03 0.43803E-02 -0.11389E-02 5790 0.207E-01 0.176E-01 RMM: 4 -0.329714019110E+03 0.32007E-03 -0.64746E-04 4705 0.585E-02 0.838E-02 RMM: 5 -0.329713988477E+03 0.30633E-04 -0.98979E-05 3642 0.271E-02 0.695E-02 RMM: 6 -0.329713959238E+03 0.29239E-04 -0.26113E-05 2613 0.157E-02 0.308E-02 RMM: 7 -0.329713961490E+03 -0.22520E-05 -0.13628E-05 2489 0.117E-02 5647 T= 7346. E= 0.67562106E+03 F= 0.62655503E+03 E0= 0.65492699E+03 EK= 0.59822E+02 SP= -.12E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329466907611E+03 0.24705E+00 -0.12544E-01 7456 0.256E+01 0.163E-01 RMM: 2 -0.329478075431E+03 -0.11168E-01 -0.93596E-02 4891 0.746E-01 0.684E-01 RMM: 3 -0.329474977033E+03 0.30984E-02 -0.11036E-02 5940 0.194E-01 0.141E-01 RMM: 4 -0.329474727700E+03 0.24933E-03 -0.54067E-04 4595 0.559E-02 0.102E-01 RMM: 5 -0.329474663544E+03 0.64156E-04 -0.84913E-05 3536 0.256E-02 0.656E-02 RMM: 6 -0.329474640733E+03 0.22811E-04 -0.23590E-05 2550 0.148E-02 0.345E-02 RMM: 7 -0.329474641083E+03 -0.34985E-06 -0.19833E-05 2511 0.134E-02 5648 T= 7430. E= 0.67562108E+03 F= 0.62679435E+03 E0= 0.65518911E+03 EK= 0.60504E+02 SP= -.13E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329240843260E+03 0.23380E+00 -0.13214E-01 7400 0.259E+01 0.189E-01 RMM: 2 -0.329254045423E+03 -0.13202E-01 -0.10330E-01 4849 0.787E-01 0.794E-01 RMM: 3 -0.329249725347E+03 0.43201E-02 -0.12432E-02 5839 0.212E-01 0.160E-01 RMM: 4 -0.329249440185E+03 0.28516E-03 -0.66914E-04 4714 0.598E-02 0.107E-01 RMM: 5 -0.329249384977E+03 0.55208E-04 -0.10612E-04 3679 0.282E-02 0.759E-02 RMM: 6 -0.329249349776E+03 0.35201E-04 -0.29401E-05 2753 0.166E-02 0.348E-02 RMM: 7 -0.329249353030E+03 -0.32540E-05 -0.17474E-05 2505 0.129E-02 5649 T= 7512. E= 0.67562247E+03 F= 0.62701964E+03 E0= 0.65543327E+03 EK= 0.61170E+02 SP= -.14E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329044577335E+03 0.20477E+00 -0.13463E-01 7384 0.261E+01 0.197E-01 RMM: 2 -0.329057752686E+03 -0.13175E-01 -0.10055E-01 4967 0.772E-01 0.836E-01 RMM: 3 -0.329053047724E+03 0.47050E-02 -0.11507E-02 5798 0.206E-01 0.169E-01 RMM: 4 -0.329052772512E+03 0.27521E-03 -0.70664E-04 4704 0.613E-02 0.114E-01 RMM: 5 -0.329052696637E+03 0.75875E-04 -0.10874E-04 3674 0.273E-02 0.693E-02 RMM: 6 -0.329052670356E+03 0.26281E-04 -0.25319E-05 2581 0.154E-02 0.345E-02 RMM: 7 -0.329052672520E+03 -0.21639E-05 -0.17456E-05 2507 0.127E-02 5650 T= 7593. E= 0.67562549E+03 F= 0.62721632E+03 E0= 0.65564346E+03 EK= 0.61831E+02 SP= -.14E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328906898420E+03 0.14577E+00 -0.14117E-01 7456 0.263E+01 0.202E-01 RMM: 2 -0.328920802088E+03 -0.13904E-01 -0.10636E-01 4948 0.794E-01 0.836E-01 RMM: 3 -0.328916003523E+03 0.47986E-02 -0.12400E-02 5800 0.212E-01 0.165E-01 RMM: 4 -0.328915720246E+03 0.28328E-03 -0.72901E-04 4698 0.619E-02 0.122E-01 RMM: 5 -0.328915648413E+03 0.71833E-04 -0.12263E-04 3780 0.298E-02 0.818E-02 RMM: 6 -0.328915605124E+03 0.43288E-04 -0.32539E-05 2854 0.176E-02 0.348E-02 RMM: 7 -0.328915606126E+03 -0.10015E-05 -0.16496E-05 2496 0.125E-02 5651 T= 7676. E= 0.67562885E+03 F= 0.62735338E+03 E0= 0.65578870E+03 EK= 0.62512E+02 SP= -.15E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328865657998E+03 0.49947E-01 -0.14605E-01 7368 0.264E+01 0.220E-01 RMM: 2 -0.328882418597E+03 -0.16761E-01 -0.11706E-01 4954 0.835E-01 0.100E+00 RMM: 3 -0.328875600811E+03 0.68178E-02 -0.13597E-02 5674 0.228E-01 0.195E-01 RMM: 4 -0.328875241214E+03 0.35960E-03 -0.91337E-04 4765 0.680E-02 0.108E-01 RMM: 5 -0.328875177750E+03 0.63464E-04 -0.13340E-04 3886 0.289E-02 0.769E-02 RMM: 6 -0.328875143198E+03 0.34552E-04 -0.28890E-05 2649 0.164E-02 0.359E-02 RMM: 7 -0.328875143817E+03 -0.61907E-06 -0.16914E-05 2506 0.126E-02 5652 T= 7766. E= 0.67563179E+03 F= 0.62739385E+03 E0= 0.65583287E+03 EK= 0.63245E+02 SP= -.16E+02 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328950782603E+03 -0.75639E-01 -0.14889E-01 7584 0.265E+01 0.203E-01 RMM: 2 -0.328966720751E+03 -0.15938E-01 -0.12289E-01 4879 0.853E-01 0.869E-01 RMM: 3 -0.328961526077E+03 0.51947E-02 -0.14527E-02 5801 0.226E-01 0.164E-01 RMM: 4 -0.328961214289E+03 0.31179E-03 -0.82007E-04 4753 0.661E-02 0.125E-01 RMM: 5 -0.328961140683E+03 0.73606E-04 -0.13859E-04 3860 0.319E-02 0.841E-02 RMM: 6 -0.328961093062E+03 0.47622E-04 -0.37780E-05 2963 0.187E-02 0.338E-02 RMM: 7 -0.328961094024E+03 -0.96238E-06 -0.15922E-05 2500 0.123E-02 5653 T= 7866. E= 0.67563316E+03 F= 0.62730790E+03 E0= 0.65574820E+03 EK= 0.64055E+02 SP= -.16E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329168028062E+03 -0.20694E+00 -0.15125E-01 7528 0.266E+01 0.206E-01 RMM: 2 -0.329187069111E+03 -0.19041E-01 -0.14615E-01 4843 0.922E-01 0.953E-01 RMM: 3 -0.329180764422E+03 0.63047E-02 -0.17004E-02 5778 0.242E-01 0.174E-01 RMM: 4 -0.329180368324E+03 0.39610E-03 -0.94114E-04 4832 0.710E-02 0.113E-01 RMM: 5 -0.329180292969E+03 0.75355E-04 -0.14021E-04 3923 0.310E-02 0.714E-02 RMM: 6 -0.329180263260E+03 0.29709E-04 -0.30805E-05 2678 0.168E-02 0.378E-02 RMM: 7 -0.329180262926E+03 0.33423E-06 -0.17778E-05 2506 0.129E-02 5654 T= 7975. E= 0.67563248E+03 F= 0.62708873E+03 E0= 0.65553006E+03 EK= 0.64941E+02 SP= -.17E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329496194907E+03 -0.31593E+00 -0.14420E-01 7536 0.267E+01 0.183E-01 RMM: 2 -0.329511243495E+03 -0.15049E-01 -0.11966E-01 4932 0.831E-01 0.805E-01 RMM: 3 -0.329506735630E+03 0.45079E-02 -0.13719E-02 5858 0.213E-01 0.148E-01 RMM: 4 -0.329506448743E+03 0.28689E-03 -0.72870E-04 4705 0.639E-02 0.120E-01 RMM: 5 -0.329506366322E+03 0.82421E-04 -0.11904E-04 3770 0.299E-02 0.728E-02 RMM: 6 -0.329506334055E+03 0.32268E-04 -0.30804E-05 2764 0.171E-02 0.363E-02 RMM: 7 -0.329506335798E+03 -0.17433E-05 -0.18112E-05 2508 0.128E-02 5655 T= 8089. E= 0.67562913E+03 F= 0.62676265E+03 E0= 0.65520701E+03 EK= 0.65871E+02 SP= -.17E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329866914053E+03 -0.36058E+00 -0.13941E-01 7608 0.267E+01 0.196E-01 RMM: 2 -0.329882724050E+03 -0.15810E-01 -0.12208E-01 4890 0.845E-01 0.863E-01 RMM: 3 -0.329877572472E+03 0.51516E-02 -0.14321E-02 5761 0.228E-01 0.180E-01 RMM: 4 -0.329877221699E+03 0.35077E-03 -0.84076E-04 4742 0.663E-02 0.114E-01 RMM: 5 -0.329877143352E+03 0.78347E-04 -0.13462E-04 3864 0.315E-02 0.729E-02 RMM: 6 -0.329877111956E+03 0.31396E-04 -0.31068E-05 2720 0.169E-02 0.384E-02 RMM: 7 -0.329877111746E+03 0.20998E-06 -0.19834E-05 2517 0.134E-02 5656 T= 8200. E= 0.67562442E+03 F= 0.62639188E+03 E0= 0.65484215E+03 EK= 0.66777E+02 SP= -.18E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330195616995E+03 -0.31851E+00 -0.13359E-01 7664 0.268E+01 0.182E-01 RMM: 2 -0.330211153324E+03 -0.15536E-01 -0.11969E-01 4802 0.843E-01 0.841E-01 RMM: 3 -0.330206294313E+03 0.48590E-02 -0.14945E-02 5931 0.229E-01 0.164E-01 RMM: 4 -0.330205938975E+03 0.35534E-03 -0.74915E-04 4670 0.649E-02 0.108E-01 RMM: 5 -0.330205866832E+03 0.72143E-04 -0.12009E-04 3768 0.310E-02 0.694E-02 RMM: 6 -0.330205842749E+03 0.24083E-04 -0.29558E-05 2611 0.164E-02 0.421E-02 RMM: 7 -0.330205843682E+03 -0.93251E-06 -0.22662E-05 2542 0.144E-02 5657 T= 8297. E= 0.67561884E+03 F= 0.62606315E+03 E0= 0.65452252E+03 EK= 0.67564E+02 SP= -.18E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330382527186E+03 -0.17668E+00 -0.13614E-01 7696 0.268E+01 0.187E-01 RMM: 2 -0.330397437658E+03 -0.14910E-01 -0.11653E-01 4909 0.816E-01 0.817E-01 RMM: 3 -0.330392700783E+03 0.47369E-02 -0.13746E-02 5804 0.226E-01 0.185E-01 RMM: 4 -0.330392350669E+03 0.35011E-03 -0.79144E-04 4736 0.636E-02 0.110E-01 RMM: 5 -0.330392276202E+03 0.74467E-04 -0.13097E-04 3845 0.314E-02 0.717E-02 RMM: 6 -0.330392248171E+03 0.28030E-04 -0.29858E-05 2655 0.164E-02 0.429E-02 RMM: 7 -0.330392247226E+03 0.94577E-06 -0.22658E-05 2536 0.142E-02 5658 T= 8366. E= 0.67561296E+03 F= 0.62587674E+03 E0= 0.65434715E+03 EK= 0.68125E+02 SP= -.19E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330327260916E+03 0.64987E-01 -0.13452E-01 7792 0.268E+01 0.189E-01 RMM: 2 -0.330342327216E+03 -0.15066E-01 -0.10876E-01 4911 0.784E-01 0.899E-01 RMM: 3 -0.330336594362E+03 0.57329E-02 -0.12654E-02 5859 0.222E-01 0.181E-01 RMM: 4 -0.330336253537E+03 0.34083E-03 -0.72906E-04 4675 0.617E-02 0.967E-02 RMM: 5 -0.330336198870E+03 0.54667E-04 -0.11271E-04 3747 0.293E-02 0.710E-02 RMM: 6 -0.330336175979E+03 0.22891E-04 -0.28430E-05 2593 0.160E-02 0.465E-02 RMM: 7 -0.330336177580E+03 -0.16009E-05 -0.26074E-05 2574 0.154E-02 5659 T= 8394. E= 0.67560854E+03 F= 0.62593281E+03 E0= 0.65441469E+03 EK= 0.68356E+02 SP= -.19E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329947542263E+03 0.38863E+00 -0.13283E-01 7632 0.268E+01 0.174E-01 RMM: 2 -0.329960522692E+03 -0.12980E-01 -0.99608E-02 4971 0.742E-01 0.790E-01 RMM: 3 -0.329956008269E+03 0.45144E-02 -0.11100E-02 5781 0.211E-01 0.172E-01 RMM: 4 -0.329955756544E+03 0.25173E-03 -0.66417E-04 4679 0.582E-02 0.109E-01 RMM: 5 -0.329955684223E+03 0.72321E-04 -0.11103E-04 3736 0.294E-02 0.683E-02 RMM: 6 -0.329955661259E+03 0.22964E-04 -0.27625E-05 2603 0.157E-02 0.438E-02 RMM: 7 -0.329955663133E+03 -0.18744E-05 -0.23282E-05 2557 0.141E-02 5660 T= 8371. E= 0.67560603E+03 F= 0.62631333E+03 E0= 0.65480551E+03 EK= 0.68171E+02 SP= -.19E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329185791739E+03 0.76987E+00 -0.13350E-01 7984 0.267E+01 0.184E-01 RMM: 2 -0.329199887523E+03 -0.14096E-01 -0.10506E-01 4949 0.763E-01 0.853E-01 RMM: 3 -0.329194631187E+03 0.52563E-02 -0.11818E-02 5916 0.215E-01 0.169E-01 RMM: 4 -0.329194328748E+03 0.30244E-03 -0.65784E-04 4695 0.585E-02 0.969E-02 RMM: 5 -0.329194279340E+03 0.49409E-04 -0.10025E-04 3646 0.276E-02 0.718E-02 RMM: 6 -0.329194254543E+03 0.24797E-04 -0.28267E-05 2615 0.162E-02 0.437E-02 RMM: 7 -0.329194260095E+03 -0.55518E-05 -0.23874E-05 2558 0.145E-02 5661 T= 8291. E= 0.67560578E+03 F= 0.62707473E+03 E0= 0.65557485E+03 EK= 0.67514E+02 SP= -.19E+02 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328018240624E+03 0.11760E+01 -0.13813E-01 7712 0.265E+01 0.175E-01 RMM: 2 -0.328032562125E+03 -0.14322E-01 -0.11357E-01 4967 0.782E-01 0.792E-01 RMM: 3 -0.328027823449E+03 0.47387E-02 -0.12360E-02 6011 0.215E-01 0.157E-01 RMM: 4 -0.328027544324E+03 0.27913E-03 -0.63516E-04 4669 0.584E-02 0.111E-01 RMM: 5 -0.328027473718E+03 0.70606E-04 -0.10337E-04 3654 0.290E-02 0.673E-02 RMM: 6 -0.328027451006E+03 0.22712E-04 -0.27062E-05 2579 0.157E-02 0.398E-02 RMM: 7 -0.328027456843E+03 -0.58372E-05 -0.21782E-05 2553 0.135E-02 5662 T= 8150. E= 0.67560802E+03 F= 0.62824153E+03 E0= 0.65674709E+03 EK= 0.66366E+02 SP= -.19E+02 SK= 0.68E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326459292141E+03 0.15682E+01 -0.13321E-01 7928 0.262E+01 0.169E-01 RMM: 2 -0.326471969778E+03 -0.12678E-01 -0.10535E-01 5084 0.741E-01 0.710E-01 RMM: 3 -0.326467980188E+03 0.39896E-02 -0.10499E-02 6078 0.199E-01 0.140E-01 RMM: 4 -0.326467768030E+03 0.21216E-03 -0.54549E-04 4602 0.543E-02 0.118E-01 RMM: 5 -0.326467686304E+03 0.81726E-04 -0.95614E-05 3614 0.276E-02 0.649E-02 RMM: 6 -0.326467665836E+03 0.20468E-04 -0.26424E-05 2611 0.157E-02 0.406E-02 RMM: 7 -0.326467670263E+03 -0.44267E-05 -0.22171E-05 2550 0.136E-02 5663 T= 7951. E= 0.67561283E+03 F= 0.62980132E+03 E0= 0.65831004E+03 EK= 0.64750E+02 SP= -.19E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324559567483E+03 0.19081E+01 -0.13282E-01 7824 0.259E+01 0.184E-01 RMM: 2 -0.324573715639E+03 -0.14148E-01 -0.11097E-01 5018 0.776E-01 0.812E-01 RMM: 3 -0.324568861399E+03 0.48542E-02 -0.11932E-02 6050 0.210E-01 0.148E-01 RMM: 4 -0.324568609493E+03 0.25191E-03 -0.63853E-04 4662 0.591E-02 0.126E-01 RMM: 5 -0.324568511520E+03 0.97974E-04 -0.11158E-04 3752 0.296E-02 0.653E-02 RMM: 6 -0.324568490433E+03 0.21087E-04 -0.26460E-05 2587 0.155E-02 0.406E-02 RMM: 7 -0.324568494729E+03 -0.42958E-05 -0.21960E-05 2556 0.136E-02 5664 T= 7703. E= 0.67562024E+03 F= 0.63170049E+03 E0= 0.66021100E+03 EK= 0.62732E+02 SP= -.19E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322414296217E+03 0.21542E+01 -0.12876E-01 7776 0.255E+01 0.168E-01 RMM: 2 -0.322427385636E+03 -0.13089E-01 -0.11104E-01 5140 0.762E-01 0.693E-01 RMM: 3 -0.322423663264E+03 0.37224E-02 -0.11198E-02 6100 0.196E-01 0.133E-01 RMM: 4 -0.322423440010E+03 0.22325E-03 -0.54993E-04 4600 0.547E-02 0.134E-01 RMM: 5 -0.322423322206E+03 0.11780E-03 -0.10523E-04 3704 0.290E-02 0.595E-02 RMM: 6 -0.322423307939E+03 0.14267E-04 -0.25836E-05 2606 0.152E-02 5665 T= 7420. E= 0.67563071E+03 F= 0.63384568E+03 E0= 0.66235767E+03 EK= 0.60421E+02 SP= -.19E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320152130841E+03 0.22712E+01 -0.12524E-01 7608 0.250E+01 0.202E-01 RMM: 2 -0.320168657283E+03 -0.16526E-01 -0.11299E-01 5120 0.777E-01 0.992E-01 RMM: 3 -0.320161866088E+03 0.67912E-02 -0.12139E-02 5818 0.217E-01 0.221E-01 RMM: 4 -0.320161426540E+03 0.43955E-03 -0.81446E-04 4675 0.634E-02 0.103E-01 RMM: 5 -0.320161355633E+03 0.70906E-04 -0.11880E-04 3947 0.273E-02 0.753E-02 RMM: 6 -0.320161334738E+03 0.20895E-04 -0.27937E-05 2629 0.159E-02 0.652E-02 RMM: 7 -0.320161348415E+03 -0.13677E-04 -0.76749E-05 3809 0.234E-02 5666 T= 7118. E= 0.67564281E+03 F= 0.63610764E+03 E0= 0.66462162E+03 EK= 0.57963E+02 SP= -.19E+02 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317932493153E+03 0.22288E+01 -0.11841E-01 7560 0.246E+01 0.293E-01 RMM: 2 -0.317954248309E+03 -0.21755E-01 -0.10399E-01 5102 0.785E-01 0.142E+00 RMM: 3 -0.317940625642E+03 0.13623E-01 -0.12776E-02 5569 0.245E-01 0.268E-01 RMM: 4 -0.317940160538E+03 0.46510E-03 -0.15197E-03 4781 0.875E-02 0.151E-01 RMM: 5 -0.317940091352E+03 0.69186E-04 -0.23325E-04 3882 0.369E-02 0.125E-01 RMM: 6 -0.317939992507E+03 0.98844E-04 -0.62842E-05 3425 0.236E-02 0.374E-02 RMM: 7 -0.317939990959E+03 0.15489E-05 -0.19360E-05 2518 0.131E-02 5667 T= 6819. E= 0.67565631E+03 F= 0.63832900E+03 E0= 0.66684714E+03 EK= 0.55530E+02 SP= -.18E+02 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315927367964E+03 0.20126E+01 -0.11042E-01 7648 0.241E+01 0.252E-01 RMM: 2 -0.315946307441E+03 -0.18939E-01 -0.10131E-01 5202 0.758E-01 0.126E+00 RMM: 3 -0.315935724961E+03 0.10582E-01 -0.11871E-02 5568 0.233E-01 0.243E-01 RMM: 4 -0.315935289978E+03 0.43498E-03 -0.10775E-03 4673 0.687E-02 0.115E-01 RMM: 5 -0.315935201772E+03 0.88206E-04 -0.15482E-04 3889 0.316E-02 0.830E-02 RMM: 6 -0.315935161729E+03 0.40043E-04 -0.36145E-05 2892 0.183E-02 0.514E-02 RMM: 7 -0.315935162372E+03 -0.64295E-06 -0.28795E-05 2580 0.156E-02 5668 T= 6546. E= 0.67566953E+03 F= 0.64033383E+03 E0= 0.66885977E+03 EK= 0.53309E+02 SP= -.18E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314314231912E+03 0.16209E+01 -0.10266E-01 7672 0.238E+01 0.243E-01 RMM: 2 -0.314332019386E+03 -0.17787E-01 -0.95109E-02 4966 0.745E-01 0.119E+00 RMM: 3 -0.314322178140E+03 0.98412E-02 -0.12029E-02 5481 0.239E-01 0.235E-01 RMM: 4 -0.314321762640E+03 0.41550E-03 -0.11000E-03 4670 0.682E-02 0.928E-02 RMM: 5 -0.314321732993E+03 0.29647E-04 -0.15267E-04 3929 0.312E-02 0.790E-02 RMM: 6 -0.314321694545E+03 0.38448E-04 -0.31303E-05 2787 0.167E-02 0.403E-02 RMM: 7 -0.314321697313E+03 -0.27682E-05 -0.17606E-05 2508 0.134E-02 5669 T= 6322. E= 0.67568035E+03 F= 0.64194729E+03 E0= 0.67048489E+03 EK= 0.51485E+02 SP= -.18E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313233614645E+03 0.10881E+01 -0.99167E-02 7544 0.236E+01 0.246E-01 RMM: 2 -0.313252578345E+03 -0.18964E-01 -0.97893E-02 4964 0.764E-01 0.126E+00 RMM: 3 -0.313241788929E+03 0.10789E-01 -0.12301E-02 5470 0.240E-01 0.239E-01 RMM: 4 -0.313241422137E+03 0.36679E-03 -0.11691E-03 4691 0.722E-02 0.117E-01 RMM: 5 -0.313241362815E+03 0.59322E-04 -0.18122E-04 3890 0.332E-02 0.951E-02 RMM: 6 -0.313241303424E+03 0.59390E-04 -0.46902E-05 3124 0.205E-02 0.344E-02 RMM: 7 -0.313241303563E+03 -0.13845E-06 -0.16265E-05 2505 0.124E-02 5670 T= 6165. E= 0.67568712E+03 F= 0.64302769E+03 E0= 0.67158229E+03 EK= 0.50202E+02 SP= -.18E+02 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312766219881E+03 0.47508E+00 -0.10007E-01 7656 0.235E+01 0.213E-01 RMM: 2 -0.312783173875E+03 -0.16954E-01 -0.10038E-01 4939 0.764E-01 0.110E+00 RMM: 3 -0.312774860119E+03 0.83138E-02 -0.11985E-02 5544 0.226E-01 0.206E-01 RMM: 4 -0.312774512208E+03 0.34791E-03 -0.92836E-04 4720 0.633E-02 0.897E-02 RMM: 5 -0.312774479135E+03 0.33073E-04 -0.13532E-04 3921 0.293E-02 0.772E-02 RMM: 6 -0.312774441337E+03 0.37798E-04 -0.29923E-05 2746 0.163E-02 0.380E-02 RMM: 7 -0.312774443686E+03 -0.23491E-05 -0.16709E-05 2503 0.128E-02 5671 T= 6084. E= 0.67568801E+03 F= 0.64349455E+03 E0= 0.67207144E+03 EK= 0.49543E+02 SP= -.17E+02 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312915288099E+03 -0.14085E+00 -0.94504E-02 7520 0.236E+01 0.219E-01 RMM: 2 -0.312931182764E+03 -0.15895E-01 -0.97009E-02 4938 0.762E-01 0.106E+00 RMM: 3 -0.312923488141E+03 0.76946E-02 -0.11547E-02 5535 0.224E-01 0.212E-01 RMM: 4 -0.312923152058E+03 0.33608E-03 -0.90838E-04 4691 0.648E-02 0.899E-02 RMM: 5 -0.312923128176E+03 0.23882E-04 -0.13975E-04 3866 0.298E-02 0.889E-02 RMM: 6 -0.312923078239E+03 0.49937E-04 -0.36723E-05 2989 0.181E-02 0.328E-02 RMM: 7 -0.312923079380E+03 -0.11409E-05 -0.14757E-05 2495 0.119E-02 5672 T= 6080. E= 0.67568352E+03 F= 0.64334591E+03 E0= 0.67195005E+03 EK= 0.49510E+02 SP= -.17E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313606078738E+03 -0.68300E+00 -0.95391E-02 7520 0.238E+01 0.209E-01 RMM: 2 -0.313621607455E+03 -0.15529E-01 -0.10548E-01 4959 0.792E-01 0.992E-01 RMM: 3 -0.313615115802E+03 0.64917E-02 -0.12238E-02 5683 0.221E-01 0.172E-01 RMM: 4 -0.313614867389E+03 0.24841E-03 -0.79597E-04 4707 0.609E-02 0.117E-01 RMM: 5 -0.313614784045E+03 0.83344E-04 -0.12357E-04 3818 0.293E-02 0.759E-02 RMM: 6 -0.313614748255E+03 0.35790E-04 -0.32068E-05 2818 0.168E-02 0.405E-02 RMM: 7 -0.313614746918E+03 0.13371E-05 -0.24346E-05 2534 0.151E-02 5673 T= 6144. E= 0.67567537E+03 F= 0.64265424E+03 E0= 0.67128937E+03 EK= 0.50032E+02 SP= -.17E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314718329972E+03 -0.11036E+01 -0.96119E-02 7528 0.241E+01 0.271E-01 RMM: 2 -0.314736965555E+03 -0.18636E-01 -0.12053E-01 4976 0.865E-01 0.113E+00 RMM: 3 -0.314728123827E+03 0.88417E-02 -0.14343E-02 5466 0.259E-01 0.234E-01 RMM: 4 -0.314727700485E+03 0.42334E-03 -0.12280E-03 4848 0.719E-02 0.102E-01 RMM: 5 -0.314727659853E+03 0.40631E-04 -0.17503E-04 3909 0.325E-02 0.101E-01 RMM: 6 -0.314727598460E+03 0.61393E-04 -0.45102E-05 3107 0.199E-02 0.392E-02 RMM: 7 -0.314727598563E+03 -0.10305E-06 -0.18405E-05 2511 0.132E-02 5674 T= 6261. E= 0.67566619E+03 F= 0.64154139E+03 E0= 0.67021007E+03 EK= 0.50984E+02 SP= -.17E+02 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316115571448E+03 -0.13880E+01 -0.10200E-01 7456 0.243E+01 0.272E-01 RMM: 2 -0.316136983239E+03 -0.21412E-01 -0.14364E-01 4877 0.941E-01 0.118E+00 RMM: 3 -0.316127727985E+03 0.92553E-02 -0.17400E-02 5611 0.271E-01 0.257E-01 RMM: 4 -0.316127190993E+03 0.53699E-03 -0.13211E-03 4900 0.768E-02 0.114E-01 RMM: 5 -0.316127131682E+03 0.59310E-04 -0.19497E-04 3920 0.344E-02 0.991E-02 RMM: 6 -0.316127070237E+03 0.61445E-04 -0.46727E-05 3127 0.199E-02 0.429E-02 RMM: 7 -0.316127069865E+03 0.37199E-06 -0.24003E-05 2544 0.149E-02 5675 T= 6414. E= 0.67565787E+03 F= 0.64014192E+03 E0= 0.66884464E+03 EK= 0.52229E+02 SP= -.17E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317679584884E+03 -0.15525E+01 -0.11041E-01 7440 0.245E+01 0.282E-01 RMM: 2 -0.317702903037E+03 -0.23318E-01 -0.15591E-01 4939 0.972E-01 0.122E+00 RMM: 3 -0.317692627677E+03 0.10275E-01 -0.18464E-02 5604 0.277E-01 0.236E-01 RMM: 4 -0.317692138124E+03 0.48955E-03 -0.13819E-03 4931 0.777E-02 0.122E-01 RMM: 5 -0.317692058500E+03 0.79624E-04 -0.20073E-04 3920 0.341E-02 0.102E-01 RMM: 6 -0.317691995821E+03 0.62679E-04 -0.51808E-05 3224 0.208E-02 0.421E-02 RMM: 7 -0.317691996853E+03 -0.10321E-05 -0.22717E-05 2537 0.143E-02 5676 T= 6587. E= 0.67565151E+03 F= 0.63857699E+03 E0= 0.66731283E+03 EK= 0.53641E+02 SP= -.17E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319322169511E+03 -0.16302E+01 -0.10467E-01 7320 0.247E+01 0.279E-01 RMM: 2 -0.319341239285E+03 -0.19070E-01 -0.11683E-01 5126 0.855E-01 0.122E+00 RMM: 3 -0.319331474450E+03 0.97648E-02 -0.13332E-02 5505 0.250E-01 0.243E-01 RMM: 4 -0.319331064430E+03 0.41002E-03 -0.11858E-03 4705 0.724E-02 0.128E-01 RMM: 5 -0.319330980023E+03 0.84408E-04 -0.18070E-04 3884 0.345E-02 0.985E-02 RMM: 6 -0.319330920046E+03 0.59976E-04 -0.46614E-05 3132 0.202E-02 0.434E-02 RMM: 7 -0.319330919067E+03 0.97917E-06 -0.25335E-05 2542 0.153E-02 5677 T= 6769. E= 0.67564697E+03 F= 0.63693807E+03 E0= 0.66570468E+03 EK= 0.55121E+02 SP= -.16E+02 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320971775099E+03 -0.16409E+01 -0.10927E-01 7392 0.249E+01 0.233E-01 RMM: 2 -0.320986961450E+03 -0.15186E-01 -0.10488E-01 5106 0.816E-01 0.101E+00 RMM: 3 -0.320980424052E+03 0.65374E-02 -0.11723E-02 5670 0.221E-01 0.187E-01 RMM: 4 -0.320980150624E+03 0.27343E-03 -0.86258E-04 4708 0.646E-02 0.130E-01 RMM: 5 -0.320980035309E+03 0.11531E-03 -0.14253E-04 3872 0.310E-02 0.803E-02 RMM: 6 -0.320980001258E+03 0.34052E-04 -0.34739E-05 2903 0.176E-02 0.457E-02 RMM: 7 -0.320979997124E+03 0.41333E-05 -0.28503E-05 2547 0.160E-02 5678 T= 6950. E= 0.67564289E+03 F= 0.63528899E+03 E0= 0.66408324E+03 EK= 0.56597E+02 SP= -.16E+02 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322581336720E+03 -0.16013E+01 -0.11621E-01 7416 0.250E+01 0.206E-01 RMM: 2 -0.322595659484E+03 -0.14323E-01 -0.11187E-01 5021 0.828E-01 0.870E-01 RMM: 3 -0.322590878692E+03 0.47808E-02 -0.12631E-02 5823 0.214E-01 0.164E-01 RMM: 4 -0.322590613813E+03 0.26488E-03 -0.72401E-04 4723 0.621E-02 0.137E-01 RMM: 5 -0.322590489981E+03 0.12383E-03 -0.12928E-04 3829 0.308E-02 0.741E-02 RMM: 6 -0.322590461689E+03 0.28292E-04 -0.31721E-05 2768 0.168E-02 0.459E-02 RMM: 7 -0.322590452813E+03 0.88760E-05 -0.29962E-05 2543 0.164E-02 5679 T= 7124. E= 0.67563903E+03 F= 0.63367854E+03 E0= 0.66249683E+03 EK= 0.58011E+02 SP= -.16E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324112734589E+03 -0.15223E+01 -0.12024E-01 7472 0.251E+01 0.192E-01 RMM: 2 -0.324126667229E+03 -0.13933E-01 -0.11165E-01 4905 0.844E-01 0.814E-01 RMM: 3 -0.324122436680E+03 0.42305E-02 -0.13087E-02 5872 0.219E-01 0.161E-01 RMM: 4 -0.324122142908E+03 0.29377E-03 -0.70494E-04 4721 0.642E-02 0.124E-01 RMM: 5 -0.324122035587E+03 0.10732E-03 -0.12517E-04 3818 0.312E-02 0.703E-02 RMM: 6 -0.324122012370E+03 0.23216E-04 -0.29931E-05 2641 0.165E-02 0.446E-02 RMM: 7 -0.324122007086E+03 0.52843E-05 -0.25708E-05 2527 0.153E-02 5680 T= 7284. E= 0.67563502E+03 F= 0.63214698E+03 E0= 0.66098592E+03 EK= 0.59315E+02 SP= -.16E+02 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325525020705E+03 -0.14030E+01 -0.12410E-01 7520 0.252E+01 0.178E-01 RMM: 2 -0.325539231300E+03 -0.14211E-01 -0.11934E-01 4836 0.864E-01 0.752E-01 RMM: 3 -0.325535536435E+03 0.36949E-02 -0.14074E-02 5926 0.224E-01 0.157E-01 RMM: 4 -0.325535231666E+03 0.30477E-03 -0.66390E-04 4735 0.628E-02 0.118E-01 RMM: 5 -0.325535135704E+03 0.95963E-04 -0.11497E-04 3757 0.314E-02 0.648E-02 RMM: 6 -0.325535117814E+03 0.17890E-04 -0.28048E-05 2569 0.157E-02 5681 T= 7425. E= 0.67563191E+03 F= 0.63073387E+03 E0= 0.65959083E+03 EK= 0.60463E+02 SP= -.16E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326783710289E+03 -0.12486E+01 -0.12560E-01 7448 0.253E+01 0.202E-01 RMM: 2 -0.326799897675E+03 -0.16187E-01 -0.10634E-01 4883 0.814E-01 0.100E+00 RMM: 3 -0.326792968367E+03 0.69293E-02 -0.12641E-02 5520 0.237E-01 0.177E-01 RMM: 4 -0.326792736485E+03 0.23188E-03 -0.80051E-04 4788 0.616E-02 0.100E-01 RMM: 5 -0.326792658949E+03 0.77536E-04 -0.11508E-04 3882 0.302E-02 0.656E-02 RMM: 6 -0.326792641465E+03 0.17484E-04 -0.28078E-05 2567 0.158E-02 5682 T= 7541. E= 0.67562973E+03 F= 0.62947635E+03 E0= 0.65835020E+03 EK= 0.61412E+02 SP= -.15E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327854715562E+03 -0.10621E+01 -0.12823E-01 7144 0.254E+01 0.296E-01 RMM: 2 -0.327884805811E+03 -0.30090E-01 -0.10247E-01 4905 0.838E-01 0.181E+00 RMM: 3 -0.327862759564E+03 0.22046E-01 -0.14686E-02 5366 0.293E-01 0.245E-01 RMM: 4 -0.327862350001E+03 0.40956E-03 -0.13880E-03 4800 0.778E-02 0.945E-02 RMM: 5 -0.327862303090E+03 0.46911E-04 -0.15852E-04 3914 0.324E-02 0.885E-02 RMM: 6 -0.327862261478E+03 0.41612E-04 -0.33808E-05 2699 0.176E-02 0.498E-02 RMM: 7 -0.327862266888E+03 -0.54106E-05 -0.29996E-05 2619 0.170E-02 5683 T= 7628. E= 0.67562760E+03 F= 0.62840672E+03 E0= 0.65729830E+03 EK= 0.62121E+02 SP= -.15E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328708269385E+03 -0.84601E+00 -0.12976E-01 7376 0.255E+01 0.251E-01 RMM: 2 -0.328727375702E+03 -0.19106E-01 -0.10312E-01 4805 0.827E-01 0.124E+00 RMM: 3 -0.328717047765E+03 0.10328E-01 -0.13739E-02 5386 0.269E-01 0.293E-01 RMM: 4 -0.328716514912E+03 0.53285E-03 -0.13357E-03 4944 0.814E-02 0.104E-01 RMM: 5 -0.328716492891E+03 0.22021E-04 -0.19421E-04 3889 0.348E-02 0.104E-01 RMM: 6 -0.328716422549E+03 0.70342E-04 -0.43721E-05 3112 0.199E-02 0.366E-02 RMM: 7 -0.328716421664E+03 0.88485E-06 -0.18203E-05 2505 0.131E-02 5684 T= 7683. E= 0.67562646E+03 F= 0.62755257E+03 E0= 0.65646301E+03 EK= 0.62562E+02 SP= -.15E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329326105621E+03 -0.60968E+00 -0.13298E-01 7624 0.256E+01 0.193E-01 RMM: 2 -0.329341616908E+03 -0.15511E-01 -0.11006E-01 4803 0.837E-01 0.947E-01 RMM: 3 -0.329335694237E+03 0.59227E-02 -0.13248E-02 5646 0.237E-01 0.165E-01 RMM: 4 -0.329335456224E+03 0.23801E-03 -0.72860E-04 4716 0.621E-02 0.108E-01 RMM: 5 -0.329335381895E+03 0.74329E-04 -0.11574E-04 3785 0.306E-02 0.730E-02 RMM: 6 -0.329335354186E+03 0.27709E-04 -0.31857E-05 2710 0.169E-02 0.428E-02 RMM: 7 -0.329335353020E+03 0.11659E-05 -0.24634E-05 2533 0.151E-02 5685 T= 7701. E= 0.67562596E+03 F= 0.62693364E+03 E0= 0.65586479E+03 EK= 0.62713E+02 SP= -.14E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329697423463E+03 -0.36207E+00 -0.13666E-01 7696 0.257E+01 0.183E-01 RMM: 2 -0.329711526076E+03 -0.14103E-01 -0.11358E-01 4769 0.850E-01 0.795E-01 RMM: 3 -0.329707395439E+03 0.41306E-02 -0.14057E-02 5833 0.235E-01 0.144E-01 RMM: 4 -0.329707148785E+03 0.24665E-03 -0.65458E-04 4851 0.597E-02 0.105E-01 RMM: 5 -0.329707085136E+03 0.63649E-04 -0.10490E-04 3724 0.308E-02 0.635E-02 RMM: 6 -0.329707064391E+03 0.20746E-04 -0.28259E-05 2586 0.160E-02 0.400E-02 RMM: 7 -0.329707064195E+03 0.19576E-06 -0.21292E-05 2516 0.145E-02 5686 T= 7683. E= 0.67562572E+03 F= 0.62656193E+03 E0= 0.65551458E+03 EK= 0.62563E+02 SP= -.14E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329815190546E+03 -0.10813E+00 -0.15076E-01 7600 0.257E+01 0.168E-01 RMM: 2 -0.329830744799E+03 -0.15554E-01 -0.14066E-01 4706 0.930E-01 0.662E-01 RMM: 3 -0.329827668183E+03 0.30766E-02 -0.16706E-02 5968 0.242E-01 0.133E-01 RMM: 4 -0.329827408005E+03 0.26018E-03 -0.72937E-04 4770 0.675E-02 0.127E-01 RMM: 5 -0.329827312388E+03 0.95617E-04 -0.11634E-04 3769 0.324E-02 0.675E-02 RMM: 6 -0.329827288690E+03 0.23698E-04 -0.29692E-05 2584 0.165E-02 0.352E-02 RMM: 7 -0.329827286441E+03 0.22489E-05 -0.18880E-05 2502 0.134E-02 5687 T= 7627. E= 0.67562642E+03 F= 0.62644170E+03 E0= 0.65541521E+03 EK= 0.62111E+02 SP= -.13E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329689892685E+03 0.13740E+00 -0.14574E-01 7752 0.257E+01 0.162E-01 RMM: 2 -0.329703095491E+03 -0.13203E-01 -0.11542E-01 4764 0.852E-01 0.674E-01 RMM: 3 -0.329700130250E+03 0.29652E-02 -0.14019E-02 5952 0.225E-01 0.135E-01 RMM: 4 -0.329699878952E+03 0.25130E-03 -0.57915E-04 4738 0.603E-02 0.104E-01 RMM: 5 -0.329699814749E+03 0.64202E-04 -0.93451E-05 3623 0.297E-02 0.635E-02 RMM: 6 -0.329699797489E+03 0.17261E-04 -0.27643E-05 2557 0.160E-02 5688 T= 7536. E= 0.67562793E+03 F= 0.62656919E+03 E0= 0.65555916E+03 EK= 0.61368E+02 SP= -.13E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329326116769E+03 0.37370E+00 -0.14895E-01 7520 0.256E+01 0.195E-01 RMM: 2 -0.329344834486E+03 -0.18718E-01 -0.12658E-01 4785 0.881E-01 0.104E+00 RMM: 3 -0.329337274460E+03 0.75600E-02 -0.15289E-02 5572 0.253E-01 0.180E-01 RMM: 4 -0.329336983252E+03 0.29121E-03 -0.88899E-04 4908 0.641E-02 0.878E-02 RMM: 5 -0.329336942379E+03 0.40872E-04 -0.12043E-04 4042 0.314E-02 0.680E-02 RMM: 6 -0.329336920673E+03 0.21707E-04 -0.26564E-05 2580 0.156E-02 0.511E-02 RMM: 7 -0.329336928561E+03 -0.78885E-05 -0.32944E-05 2720 0.176E-02 5689 T= 7411. E= 0.67563037E+03 F= 0.62693206E+03 E0= 0.65593203E+03 EK= 0.60354E+02 SP= -.12E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328757573974E+03 0.57935E+00 -0.14028E-01 7448 0.254E+01 0.253E-01 RMM: 2 -0.328775443312E+03 -0.17869E-01 -0.96417E-02 4855 0.803E-01 0.124E+00 RMM: 3 -0.328765360680E+03 0.10083E-01 -0.12343E-02 5403 0.252E-01 0.248E-01 RMM: 4 -0.328764975173E+03 0.38551E-03 -0.11555E-03 4857 0.762E-02 0.107E-01 RMM: 5 -0.328765005220E+03 -0.30047E-04 -0.16736E-04 3872 0.318E-02 0.131E-01 RMM: 6 -0.328764891534E+03 0.11369E-03 -0.54581E-05 3260 0.223E-02 0.276E-02 RMM: 7 -0.328764892336E+03 -0.80220E-06 -0.15106E-05 2503 0.121E-02 5690 T= 7258. E= 0.67563401E+03 F= 0.62750410E+03 E0= 0.65650511E+03 EK= 0.59104E+02 SP= -.12E+02 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328012629879E+03 0.75226E+00 -0.14576E-01 7408 0.252E+01 0.189E-01 RMM: 2 -0.328030571449E+03 -0.17942E-01 -0.12867E-01 4901 0.873E-01 0.977E-01 RMM: 3 -0.328023794940E+03 0.67765E-02 -0.14379E-02 5628 0.235E-01 0.176E-01 RMM: 4 -0.328023468495E+03 0.32644E-03 -0.79030E-04 4804 0.640E-02 0.900E-02 RMM: 5 -0.328023424559E+03 0.43936E-04 -0.11334E-04 3880 0.289E-02 0.717E-02 RMM: 6 -0.328023395600E+03 0.28959E-04 -0.28366E-05 2673 0.163E-02 0.434E-02 RMM: 7 -0.328023398802E+03 -0.32017E-05 -0.22315E-05 2519 0.143E-02 5691 T= 7082. E= 0.67563856E+03 F= 0.62824559E+03 E0= 0.65723827E+03 EK= 0.57669E+02 SP= -.11E+02 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327158272948E+03 0.86512E+00 -0.13122E-01 7360 0.250E+01 0.190E-01 RMM: 2 -0.327171276843E+03 -0.13004E-01 -0.98033E-02 4881 0.782E-01 0.833E-01 RMM: 3 -0.327166563625E+03 0.47132E-02 -0.11604E-02 5630 0.220E-01 0.155E-01 RMM: 4 -0.327166365313E+03 0.19831E-03 -0.67324E-04 4726 0.590E-02 0.102E-01 RMM: 5 -0.327166323074E+03 0.42239E-04 -0.98163E-05 3702 0.280E-02 0.790E-02 RMM: 6 -0.327166287877E+03 0.35197E-04 -0.29216E-05 2663 0.170E-02 0.335E-02 RMM: 7 -0.327166290905E+03 -0.30281E-05 -0.14945E-05 2499 0.122E-02 5692 T= 6891. E= 0.67564403E+03 F= 0.62910270E+03 E0= 0.65807901E+03 EK= 0.56114E+02 SP= -.10E+02 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326252492192E+03 0.91380E+00 -0.13379E-01 7600 0.247E+01 0.174E-01 RMM: 2 -0.326265712082E+03 -0.13220E-01 -0.10681E-01 4766 0.812E-01 0.762E-01 RMM: 3 -0.326261802876E+03 0.39092E-02 -0.13018E-02 5805 0.225E-01 0.151E-01 RMM: 4 -0.326261574663E+03 0.22821E-03 -0.64374E-04 4700 0.600E-02 0.113E-01 RMM: 5 -0.326261500959E+03 0.73703E-04 -0.10551E-04 3668 0.299E-02 0.716E-02 RMM: 6 -0.326261471404E+03 0.29555E-04 -0.29630E-05 2667 0.166E-02 0.366E-02 RMM: 7 -0.326261472415E+03 -0.10113E-05 -0.19820E-05 2502 0.139E-02 5693 T= 6694. E= 0.67565030E+03 F= 0.63000752E+03 E0= 0.65896069E+03 EK= 0.54515E+02 SP= -.98E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325376934758E+03 0.88454E+00 -0.12613E-01 7488 0.243E+01 0.182E-01 RMM: 2 -0.325388451130E+03 -0.11516E-01 -0.86342E-02 4848 0.736E-01 0.791E-01 RMM: 3 -0.325384259693E+03 0.41914E-02 -0.10558E-02 5693 0.210E-01 0.134E-01 RMM: 4 -0.325384119873E+03 0.13982E-03 -0.57690E-04 4687 0.550E-02 0.117E-01 RMM: 5 -0.325384049651E+03 0.70222E-04 -0.91918E-05 3597 0.280E-02 0.740E-02 RMM: 6 -0.325384018776E+03 0.30875E-04 -0.29836E-05 2727 0.168E-02 0.350E-02 RMM: 7 -0.325384021538E+03 -0.27619E-05 -0.22059E-05 2523 0.146E-02 5694 T= 6503. E= 0.67565628E+03 F= 0.63088497E+03 E0= 0.65981065E+03 EK= 0.52956E+02 SP= -.91E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324600372494E+03 0.78365E+00 -0.12349E-01 7536 0.240E+01 0.173E-01 RMM: 2 -0.324612175771E+03 -0.11803E-01 -0.92915E-02 4803 0.759E-01 0.753E-01 RMM: 3 -0.324608370967E+03 0.38048E-02 -0.11335E-02 5835 0.207E-01 0.148E-01 RMM: 4 -0.324608143320E+03 0.22765E-03 -0.58078E-04 4659 0.587E-02 0.108E-01 RMM: 5 -0.324608074711E+03 0.68608E-04 -0.93593E-05 3581 0.277E-02 0.690E-02 RMM: 6 -0.324608048326E+03 0.26385E-04 -0.26937E-05 2578 0.160E-02 0.340E-02 RMM: 7 -0.324608049842E+03 -0.15154E-05 -0.16070E-05 2495 0.126E-02 5695 T= 6326. E= 0.67566147E+03 F= 0.63166094E+03 E0= 0.66055667E+03 EK= 0.51517E+02 SP= -.84E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323990687921E+03 0.61736E+00 -0.11206E-01 7520 0.236E+01 0.156E-01 RMM: 2 -0.323999600917E+03 -0.89130E-02 -0.70544E-02 4973 0.655E-01 0.660E-01 RMM: 3 -0.323996625396E+03 0.29755E-02 -0.79490E-03 5774 0.176E-01 0.124E-01 RMM: 4 -0.323996494774E+03 0.13062E-03 -0.40770E-04 4527 0.481E-02 0.106E-01 RMM: 5 -0.323996423019E+03 0.71755E-04 -0.66846E-05 3384 0.243E-02 0.604E-02 RMM: 6 -0.323996404817E+03 0.18202E-04 -0.22900E-05 2546 0.148E-02 5696 T= 6172. E= 0.67566537E+03 F= 0.63227258E+03 E0= 0.66113697E+03 EK= 0.50264E+02 SP= -.78E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323585130255E+03 0.41129E+00 -0.10971E-01 7424 0.234E+01 0.175E-01 RMM: 2 -0.323596417945E+03 -0.11288E-01 -0.75879E-02 4935 0.675E-01 0.846E-01 RMM: 3 -0.323591531332E+03 0.48866E-02 -0.89739E-03 5601 0.197E-01 0.149E-01 RMM: 4 -0.323591341511E+03 0.18982E-03 -0.54797E-04 4755 0.499E-02 0.812E-02 RMM: 5 -0.323591295993E+03 0.45518E-04 -0.66439E-05 3378 0.237E-02 0.588E-02 RMM: 6 -0.323591280159E+03 0.15833E-04 -0.24183E-05 2543 0.150E-02 5697 T= 6047. E= 0.67566764E+03 F= 0.63267771E+03 E0= 0.66151002E+03 EK= 0.49242E+02 SP= -.71E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323405236553E+03 0.18606E+00 -0.10758E-01 7472 0.231E+01 0.254E-01 RMM: 2 -0.323427300148E+03 -0.22064E-01 -0.75104E-02 4969 0.689E-01 0.152E+00 RMM: 3 -0.323411159119E+03 0.16141E-01 -0.10658E-02 5389 0.244E-01 0.223E-01 RMM: 4 -0.323410791330E+03 0.36779E-03 -0.10750E-03 4731 0.665E-02 0.706E-02 RMM: 5 -0.323410769906E+03 0.21424E-04 -0.11253E-04 3987 0.266E-02 0.729E-02 RMM: 6 -0.323410739689E+03 0.30217E-04 -0.22161E-05 2557 0.140E-02 0.413E-02 RMM: 7 -0.323410748331E+03 -0.86415E-05 -0.23644E-05 2546 0.152E-02 5698 T= 5952. E= 0.67566754E+03 F= 0.63285824E+03 E0= 0.66165790E+03 EK= 0.48470E+02 SP= -.65E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323443618396E+03 -0.32879E-01 -0.10548E-01 7536 0.230E+01 0.233E-01 RMM: 2 -0.323458711345E+03 -0.15093E-01 -0.77070E-02 4978 0.683E-01 0.115E+00 RMM: 3 -0.323449700694E+03 0.90107E-02 -0.97667E-03 5440 0.221E-01 0.245E-01 RMM: 4 -0.323449320652E+03 0.38004E-03 -0.10627E-03 4716 0.720E-02 0.107E-01 RMM: 5 -0.323449343224E+03 -0.22572E-04 -0.16510E-04 3862 0.314E-02 0.128E-01 RMM: 6 -0.323449235187E+03 0.10804E-03 -0.50202E-05 3236 0.216E-02 0.282E-02 RMM: 7 -0.323449233800E+03 0.13873E-05 -0.14243E-05 2498 0.116E-02 5699 T= 5887. E= 0.67566606E+03 F= 0.63281976E+03 E0= 0.66158654E+03 EK= 0.47942E+02 SP= -.58E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323674976949E+03 -0.22574E+00 -0.10380E-01 7504 0.229E+01 0.184E-01 RMM: 2 -0.323689349849E+03 -0.14373E-01 -0.87636E-02 4961 0.705E-01 0.994E-01 RMM: 3 -0.323682431134E+03 0.69187E-02 -0.10185E-02 5605 0.202E-01 0.161E-01 RMM: 4 -0.323682190695E+03 0.24044E-03 -0.67666E-04 4726 0.561E-02 0.873E-02 RMM: 5 -0.323682139271E+03 0.51425E-04 -0.93769E-05 3734 0.251E-02 0.637E-02 RMM: 6 -0.323682113448E+03 0.25823E-04 -0.23489E-05 2560 0.145E-02 0.360E-02 RMM: 7 -0.323682112353E+03 0.10953E-05 -0.19430E-05 2502 0.134E-02 5700 T= 5849. E= 0.67566410E+03 F= 0.63258688E+03 E0= 0.66131932E+03 EK= 0.47634E+02 SP= -.52E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324070088361E+03 -0.38797E+00 -0.99050E-02 7616 0.229E+01 0.196E-01 RMM: 2 -0.324083058565E+03 -0.12970E-01 -0.81768E-02 4925 0.699E-01 0.959E-01 RMM: 3 -0.324076810621E+03 0.62479E-02 -0.98080E-03 5584 0.205E-01 0.163E-01 RMM: 4 -0.324076571317E+03 0.23930E-03 -0.69845E-04 4800 0.558E-02 0.812E-02 RMM: 5 -0.324076551070E+03 0.20247E-04 -0.98861E-05 3756 0.267E-02 0.703E-02 RMM: 6 -0.324076519900E+03 0.31170E-04 -0.25048E-05 2660 0.152E-02 0.318E-02 RMM: 7 -0.324076520800E+03 -0.89974E-06 -0.11985E-05 2488 0.111E-02 5701 T= 5834. E= 0.67566177E+03 F= 0.63219247E+03 E0= 0.66088987E+03 EK= 0.47512E+02 SP= -.47E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324593010887E+03 -0.51649E+00 -0.99476E-02 7568 0.228E+01 0.174E-01 RMM: 2 -0.324604498035E+03 -0.11487E-01 -0.86874E-02 4972 0.706E-01 0.771E-01 RMM: 3 -0.324600345358E+03 0.41527E-02 -0.99586E-03 5784 0.189E-01 0.155E-01 RMM: 4 -0.324600103546E+03 0.24181E-03 -0.59849E-04 4656 0.557E-02 0.104E-01 RMM: 5 -0.324600041384E+03 0.62162E-04 -0.94369E-05 3629 0.258E-02 0.668E-02 RMM: 6 -0.324600014169E+03 0.27216E-04 -0.24558E-05 2608 0.153E-02 0.306E-02 RMM: 7 -0.324600013096E+03 0.10726E-05 -0.13145E-05 2485 0.112E-02 5702 T= 5838. E= 0.67565979E+03 F= 0.63166898E+03 E0= 0.66032970E+03 EK= 0.47543E+02 SP= -.41E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325219460909E+03 -0.61945E+00 -0.99179E-02 7656 0.228E+01 0.188E-01 RMM: 2 -0.325231736516E+03 -0.12276E-01 -0.76656E-02 5032 0.667E-01 0.941E-01 RMM: 3 -0.325225767025E+03 0.59695E-02 -0.87243E-03 5565 0.190E-01 0.163E-01 RMM: 4 -0.325225553257E+03 0.21377E-03 -0.64255E-04 4694 0.542E-02 0.876E-02 RMM: 5 -0.325225521563E+03 0.31693E-04 -0.96119E-05 3727 0.254E-02 0.719E-02 RMM: 6 -0.325225488244E+03 0.33319E-04 -0.27206E-05 2764 0.162E-02 0.325E-02 RMM: 7 -0.325225489859E+03 -0.16148E-05 -0.14862E-05 2497 0.118E-02 5703 T= 5857. E= 0.67565845E+03 F= 0.63104350E+03 E0= 0.65966648E+03 EK= 0.47699E+02 SP= -.36E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325927059189E+03 -0.70157E+00 -0.10030E-01 7616 0.228E+01 0.182E-01 RMM: 2 -0.325938155796E+03 -0.11097E-01 -0.76390E-02 5058 0.663E-01 0.843E-01 RMM: 3 -0.325933322566E+03 0.48332E-02 -0.85410E-03 5666 0.182E-01 0.166E-01 RMM: 4 -0.325933086494E+03 0.23607E-03 -0.60635E-04 4674 0.543E-02 0.895E-02 RMM: 5 -0.325933046537E+03 0.39957E-04 -0.91368E-05 3646 0.244E-02 0.676E-02 RMM: 6 -0.325933018652E+03 0.27885E-04 -0.23939E-05 2640 0.154E-02 0.290E-02 RMM: 7 -0.325933018226E+03 0.42627E-06 -0.10992E-05 2477 0.102E-02 5704 T= 5889. E= 0.67565721E+03 F= 0.63033597E+03 E0= 0.65892117E+03 EK= 0.47957E+02 SP= -.31E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326699046179E+03 -0.76603E+00 -0.96907E-02 7672 0.228E+01 0.156E-01 RMM: 2 -0.326708790659E+03 -0.97445E-02 -0.71951E-02 5024 0.639E-01 0.737E-01 RMM: 3 -0.326705092465E+03 0.36982E-02 -0.78761E-03 5700 0.171E-01 0.130E-01 RMM: 4 -0.326704936191E+03 0.15627E-03 -0.47325E-04 4430 0.486E-02 0.939E-02 RMM: 5 -0.326704885021E+03 0.51171E-04 -0.75489E-05 3469 0.243E-02 0.620E-02 RMM: 6 -0.326704861350E+03 0.23671E-04 -0.24397E-05 2585 0.153E-02 0.303E-02 RMM: 7 -0.326704858698E+03 0.26517E-05 -0.16755E-05 2490 0.124E-02 5705 T= 5931. E= 0.67565576E+03 F= 0.62956413E+03 E0= 0.65811298E+03 EK= 0.48297E+02 SP= -.26E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327515905508E+03 -0.81104E+00 -0.98832E-02 7664 0.229E+01 0.161E-01 RMM: 2 -0.327525684275E+03 -0.97788E-02 -0.75803E-02 5028 0.665E-01 0.719E-01 RMM: 3 -0.327522213277E+03 0.34710E-02 -0.82662E-03 5781 0.173E-01 0.141E-01 RMM: 4 -0.327522009360E+03 0.20392E-03 -0.49968E-04 4545 0.504E-02 0.854E-02 RMM: 5 -0.327521968443E+03 0.40917E-04 -0.77897E-05 3525 0.240E-02 0.622E-02 RMM: 6 -0.327521946077E+03 0.22366E-04 -0.22076E-05 2553 0.146E-02 0.295E-02 RMM: 7 -0.327521944692E+03 0.13848E-05 -0.12459E-05 2477 0.108E-02 5706 T= 5980. E= 0.67565394E+03 F= 0.62874704E+03 E0= 0.65726315E+03 EK= 0.48699E+02 SP= -.22E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328356626438E+03 -0.83468E+00 -0.10005E-01 7768 0.229E+01 0.143E-01 RMM: 2 -0.328365786242E+03 -0.91598E-02 -0.75585E-02 5047 0.652E-01 0.626E-01 RMM: 3 -0.328363061840E+03 0.27244E-02 -0.79273E-03 5893 0.161E-01 0.125E-01 RMM: 4 -0.328362881071E+03 0.18077E-03 -0.41398E-04 4290 0.485E-02 0.894E-02 RMM: 5 -0.328362829483E+03 0.51588E-04 -0.67249E-05 3394 0.239E-02 0.567E-02 RMM: 6 -0.328362812472E+03 0.17011E-04 -0.21311E-05 2534 0.140E-02 5707 T= 6034. E= 0.67565215E+03 F= 0.62790618E+03 E0= 0.65639576E+03 EK= 0.49139E+02 SP= -.18E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329198289718E+03 -0.83546E+00 -0.98681E-02 7504 0.230E+01 0.171E-01 RMM: 2 -0.329209691819E+03 -0.11402E-01 -0.83140E-02 5046 0.687E-01 0.798E-01 RMM: 3 -0.329205276482E+03 0.44153E-02 -0.91789E-03 5649 0.185E-01 0.146E-01 RMM: 4 -0.329205053646E+03 0.22284E-03 -0.58044E-04 4736 0.513E-02 0.763E-02 RMM: 5 -0.329205016416E+03 0.37230E-04 -0.77003E-05 3550 0.235E-02 0.597E-02 RMM: 6 -0.329204997631E+03 0.18785E-04 -0.22578E-05 2544 0.146E-02 5708 T= 6090. E= 0.67565028E+03 F= 0.62706399E+03 E0= 0.65553538E+03 EK= 0.49594E+02 SP= -.13E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330018837050E+03 -0.81382E+00 -0.98808E-02 7280 0.231E+01 0.253E-01 RMM: 2 -0.330040996713E+03 -0.22160E-01 -0.85711E-02 5045 0.720E-01 0.149E+00 RMM: 3 -0.330025673464E+03 0.15323E-01 -0.11034E-02 5392 0.237E-01 0.234E-01 RMM: 4 -0.330025262173E+03 0.41129E-03 -0.11306E-03 4697 0.691E-02 0.730E-02 RMM: 5 -0.330025244709E+03 0.17464E-04 -0.14144E-04 4068 0.280E-02 5709 T= 6145. E= 0.67564961E+03 F= 0.62624374E+03 E0= 0.65470670E+03 EK= 0.50039E+02 SP= -.94E+00 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330797207932E+03 -0.77195E+00 -0.10354E-01 7432 0.231E+01 0.157E-01 RMM: 2 -0.330811988916E+03 -0.14781E-01 -0.10476E-01 5030 0.750E-01 0.864E-01 RMM: 3 -0.330806559304E+03 0.54296E-02 -0.11650E-02 5716 0.196E-01 0.189E-01 RMM: 4 -0.330806187356E+03 0.37195E-03 -0.71907E-04 4693 0.600E-02 0.711E-02 RMM: 5 -0.330806152482E+03 0.34874E-04 -0.93232E-05 3839 0.230E-02 0.652E-02 RMM: 6 -0.330806133858E+03 0.18623E-04 -0.21709E-05 2541 0.143E-02 5710 T= 6196. E= 0.67564933E+03 F= 0.62546286E+03 E0= 0.65392876E+03 EK= 0.50455E+02 SP= -.56E+00 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331527589099E+03 -0.72144E+00 -0.10734E-01 7408 0.232E+01 0.285E-01 RMM: 2 -0.331551796110E+03 -0.24207E-01 -0.11990E-01 4980 0.827E-01 0.146E+00 RMM: 3 -0.331537123611E+03 0.14672E-01 -0.14951E-02 5444 0.265E-01 0.244E-01 RMM: 4 -0.331536641311E+03 0.48230E-03 -0.13588E-03 4891 0.727E-02 0.802E-02 RMM: 5 -0.331536634021E+03 0.72901E-05 -0.17143E-04 3937 0.310E-02 5711 T= 6242. E= 0.67564955E+03 F= 0.62473236E+03 E0= 0.65321153E+03 EK= 0.50830E+02 SP= -.18E+00 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332204088052E+03 -0.66745E+00 -0.10313E-01 7400 0.232E+01 0.197E-01 RMM: 2 -0.332221505922E+03 -0.17418E-01 -0.10409E-01 4904 0.769E-01 0.110E+00 RMM: 3 -0.332213073296E+03 0.84326E-02 -0.12148E-02 5564 0.220E-01 0.175E-01 RMM: 4 -0.332212802665E+03 0.27063E-03 -0.89385E-04 4751 0.641E-02 0.101E-01 RMM: 5 -0.332212748174E+03 0.54491E-04 -0.13448E-04 3851 0.305E-02 0.699E-02 RMM: 6 -0.332212718794E+03 0.29380E-04 -0.29792E-05 2701 0.159E-02 0.426E-02 RMM: 7 -0.332212719439E+03 -0.64488E-06 -0.20760E-05 2516 0.143E-02 5712 T= 6282. E= 0.67565016E+03 F= 0.62405627E+03 E0= 0.65255889E+03 EK= 0.51157E+02 SP= 0.18E+00 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332828210734E+03 -0.61549E+00 -0.11122E-01 7656 0.232E+01 0.212E-01 RMM: 2 -0.332844451100E+03 -0.16240E-01 -0.11589E-01 4718 0.831E-01 0.970E-01 RMM: 3 -0.332837988191E+03 0.64629E-02 -0.13734E-02 5719 0.229E-01 0.175E-01 RMM: 4 -0.332837668006E+03 0.32019E-03 -0.87618E-04 4931 0.630E-02 0.932E-02 RMM: 5 -0.332837637620E+03 0.30386E-04 -0.12784E-04 3818 0.300E-02 0.757E-02 RMM: 6 -0.332837600479E+03 0.37141E-04 -0.29709E-05 2721 0.163E-02 0.214E-02 RMM: 7 -0.332837602626E+03 -0.21468E-05 -0.11418E-05 2476 0.110E-02 5713 T= 6317. E= 0.67565045E+03 F= 0.62343139E+03 E0= 0.65196546E+03 EK= 0.51439E+02 SP= 0.53E+00 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333407983313E+03 -0.57038E+00 -0.10602E-01 7504 0.232E+01 0.144E-01 RMM: 2 -0.333418267254E+03 -0.10284E-01 -0.90641E-02 4866 0.727E-01 0.591E-01 RMM: 3 -0.333415873789E+03 0.23935E-02 -0.10511E-02 5997 0.184E-01 0.124E-01 RMM: 4 -0.333415639990E+03 0.23380E-03 -0.46755E-04 4549 0.527E-02 0.964E-02 RMM: 5 -0.333415564952E+03 0.75037E-04 -0.75562E-05 3474 0.264E-02 0.435E-02 RMM: 6 -0.333415558373E+03 0.65795E-05 -0.19744E-05 2513 0.125E-02 5714 T= 6346. E= 0.67565075E+03 F= 0.62285343E+03 E0= 0.65142506E+03 EK= 0.51679E+02 SP= 0.88E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333939897574E+03 -0.52433E+00 -0.10445E-01 7688 0.233E+01 0.149E-01 RMM: 2 -0.333950773135E+03 -0.10876E-01 -0.77103E-02 4825 0.673E-01 0.780E-01 RMM: 3 -0.333946568063E+03 0.42051E-02 -0.91123E-03 5691 0.187E-01 0.139E-01 RMM: 4 -0.333946365995E+03 0.20207E-03 -0.48203E-04 4652 0.493E-02 0.651E-02 RMM: 5 -0.333946336704E+03 0.29291E-04 -0.63039E-05 3347 0.232E-02 0.523E-02 RMM: 6 -0.333946326789E+03 0.99146E-05 -0.20065E-05 2516 0.136E-02 5715 T= 6370. E= 0.67565028E+03 F= 0.62232266E+03 E0= 0.65093654E+03 EK= 0.51875E+02 SP= 0.12E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334416733807E+03 -0.47040E+00 -0.10304E-01 7448 0.233E+01 0.267E-01 RMM: 2 -0.334436452955E+03 -0.19719E-01 -0.73709E-02 4873 0.697E-01 0.144E+00 RMM: 3 -0.334422527098E+03 0.13926E-01 -0.11144E-02 5371 0.252E-01 0.279E-01 RMM: 4 -0.334421983810E+03 0.54329E-03 -0.11912E-03 4690 0.729E-02 0.745E-02 RMM: 5 -0.334421972004E+03 0.11806E-04 -0.15130E-04 3878 0.308E-02 5716 T= 6388. E= 0.67565016E+03 F= 0.62184702E+03 E0= 0.65050513E+03 EK= 0.52021E+02 SP= 0.16E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334819573423E+03 -0.39759E+00 -0.10711E-01 7496 0.234E+01 0.195E-01 RMM: 2 -0.334834416408E+03 -0.14843E-01 -0.70876E-02 4925 0.653E-01 0.114E+00 RMM: 3 -0.334825565013E+03 0.88514E-02 -0.89257E-03 5406 0.210E-01 0.195E-01 RMM: 4 -0.334825290950E+03 0.27406E-03 -0.77628E-04 4643 0.582E-02 0.781E-02 RMM: 5 -0.334825256181E+03 0.34769E-04 -0.89947E-05 3753 0.254E-02 0.635E-02 RMM: 6 -0.334825235590E+03 0.20591E-04 -0.22647E-05 2536 0.141E-02 0.468E-02 RMM: 7 -0.334825245724E+03 -0.10134E-04 -0.30378E-05 2651 0.160E-02 5717 T= 6397. E= 0.67564906E+03 F= 0.62144374E+03 E0= 0.65014607E+03 EK= 0.52096E+02 SP= 0.19E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335124831492E+03 -0.29960E+00 -0.11210E-01 7448 0.235E+01 0.213E-01 RMM: 2 -0.335136715933E+03 -0.11884E-01 -0.75924E-02 4691 0.703E-01 0.934E-01 RMM: 3 -0.335130935807E+03 0.57801E-02 -0.98072E-03 5490 0.214E-01 0.183E-01 RMM: 4 -0.335130759072E+03 0.17673E-03 -0.80195E-04 4665 0.633E-02 0.124E-01 RMM: 5 -0.335130712184E+03 0.46888E-04 -0.14198E-04 3821 0.318E-02 0.965E-02 RMM: 6 -0.335130652226E+03 0.59958E-04 -0.45240E-05 3116 0.205E-02 0.222E-02 RMM: 7 -0.335130655201E+03 -0.29751E-05 -0.12571E-05 2487 0.115E-02 5718 T= 6395. E= 0.67564729E+03 F= 0.62113833E+03 E0= 0.64988273E+03 EK= 0.52077E+02 SP= 0.22E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335302412719E+03 -0.17176E+00 -0.11315E-01 7832 0.236E+01 0.158E-01 RMM: 2 -0.335316217852E+03 -0.13805E-01 -0.10756E-01 4694 0.802E-01 0.794E-01 RMM: 3 -0.335312069740E+03 0.41481E-02 -0.13313E-02 5919 0.213E-01 0.138E-01 RMM: 4 -0.335311786131E+03 0.28361E-03 -0.66203E-04 4700 0.609E-02 0.890E-02 RMM: 5 -0.335311729693E+03 0.56438E-04 -0.95292E-05 3701 0.292E-02 0.568E-02 RMM: 6 -0.335311711477E+03 0.18216E-04 -0.24225E-05 2536 0.145E-02 5719 T= 6378. E= 0.67564612E+03 F= 0.62095728E+03 E0= 0.64973958E+03 EK= 0.51938E+02 SP= 0.25E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335332744938E+03 -0.21015E-01 -0.12878E-01 7424 0.237E+01 0.182E-01 RMM: 2 -0.335351120618E+03 -0.18376E-01 -0.13916E-01 4655 0.904E-01 0.915E-01 RMM: 3 -0.335345124601E+03 0.59960E-02 -0.16618E-02 5777 0.243E-01 0.172E-01 RMM: 4 -0.335344735536E+03 0.38906E-03 -0.86703E-04 5064 0.647E-02 0.770E-02 RMM: 5 -0.335344703967E+03 0.31569E-04 -0.11504E-04 3897 0.304E-02 0.664E-02 RMM: 6 -0.335344678232E+03 0.25734E-04 -0.29910E-05 2588 0.162E-02 0.509E-02 RMM: 7 -0.335344703110E+03 -0.24878E-04 -0.54289E-05 3288 0.207E-02 0.882E-02 RMM: 8 -0.335344649351E+03 0.53759E-04 -0.45161E-05 2911 0.176E-02 0.316E-02 RMM: 9 -0.335344645546E+03 0.38046E-05 -0.14748E-05 2477 0.115E-02 5720 T= 6343. E= 0.67564530E+03 F= 0.62092434E+03 E0= 0.64974032E+03 EK= 0.51658E+02 SP= 0.29E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335209717256E+03 0.13493E+00 -0.11012E-01 7328 0.238E+01 0.253E-01 RMM: 2 -0.335225805392E+03 -0.16088E-01 -0.85689E-02 4731 0.735E-01 0.119E+00 RMM: 3 -0.335216279079E+03 0.95263E-02 -0.11033E-02 5431 0.230E-01 0.176E-01 RMM: 4 -0.335216241598E+03 0.37481E-04 -0.11739E-03 4732 0.782E-02 0.189E-01 RMM: 5 -0.335216086977E+03 0.15462E-03 -0.21424E-04 3869 0.386E-02 0.122E-01 RMM: 6 -0.335215985080E+03 0.10190E-03 -0.63986E-05 3381 0.237E-02 0.257E-02 RMM: 7 -0.335215988462E+03 -0.33814E-05 -0.17701E-05 2512 0.131E-02 5721 T= 6290. E= 0.67564552E+03 F= 0.62105300E+03 E0= 0.64989655E+03 EK= 0.51225E+02 SP= 0.32E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334920787571E+03 0.29520E+00 -0.11347E-01 7376 0.237E+01 0.180E-01 RMM: 2 -0.334934433420E+03 -0.13646E-01 -0.90173E-02 4845 0.746E-01 0.943E-01 RMM: 3 -0.334928546692E+03 0.58867E-02 -0.10799E-02 5627 0.208E-01 0.181E-01 RMM: 4 -0.334928240069E+03 0.30662E-03 -0.66834E-04 4710 0.578E-02 0.695E-02 RMM: 5 -0.334928212682E+03 0.27387E-04 -0.92351E-05 3727 0.269E-02 0.606E-02 RMM: 6 -0.334928191935E+03 0.20746E-04 -0.22978E-05 2549 0.140E-02 0.393E-02 RMM: 7 -0.334928194121E+03 -0.21857E-05 -0.23960E-05 2531 0.150E-02 5722 T= 6219. E= 0.67564768E+03 F= 0.62134080E+03 E0= 0.65020615E+03 EK= 0.50645E+02 SP= 0.35E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334500662667E+03 0.42753E+00 -0.10776E-01 7464 0.236E+01 0.173E-01 RMM: 2 -0.334510266697E+03 -0.96040E-02 -0.64002E-02 4933 0.640E-01 0.821E-01 RMM: 3 -0.334505843660E+03 0.44230E-02 -0.73908E-03 5571 0.179E-01 0.139E-01 RMM: 4 -0.334505719443E+03 0.12422E-03 -0.52905E-04 4593 0.532E-02 0.104E-01 RMM: 5 -0.334505658706E+03 0.60737E-04 -0.80261E-05 3545 0.249E-02 0.627E-02 RMM: 6 -0.334505635871E+03 0.22835E-04 -0.21378E-05 2546 0.142E-02 0.312E-02 RMM: 7 -0.334505636313E+03 -0.44271E-06 -0.12848E-05 2478 0.114E-02 5723 T= 6133. E= 0.67565103E+03 F= 0.62176335E+03 E0= 0.65064426E+03 EK= 0.49946E+02 SP= 0.38E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333984904297E+03 0.52073E+00 -0.11330E-01 7504 0.235E+01 0.186E-01 RMM: 2 -0.333995720921E+03 -0.10817E-01 -0.77657E-02 4986 0.696E-01 0.823E-01 RMM: 3 -0.333991308831E+03 0.44121E-02 -0.87816E-03 5702 0.187E-01 0.176E-01 RMM: 4 -0.333991040030E+03 0.26880E-03 -0.60030E-04 4638 0.567E-02 0.977E-02 RMM: 5 -0.333990987771E+03 0.52259E-04 -0.92938E-05 3638 0.264E-02 0.692E-02 RMM: 6 -0.333990958688E+03 0.29083E-04 -0.24611E-05 2603 0.153E-02 0.331E-02 RMM: 7 -0.333990958060E+03 0.62852E-06 -0.13112E-05 2478 0.112E-02 5724 T= 6038. E= 0.67565558E+03 F= 0.62227803E+03 E0= 0.65116885E+03 EK= 0.49173E+02 SP= 0.41E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333433841164E+03 0.55712E+00 -0.10786E-01 7632 0.233E+01 0.178E-01 RMM: 2 -0.333443260664E+03 -0.94195E-02 -0.65606E-02 5012 0.643E-01 0.788E-01 RMM: 3 -0.333439166421E+03 0.40942E-02 -0.73524E-03 5618 0.178E-01 0.160E-01 RMM: 4 -0.333438969292E+03 0.19713E-03 -0.51992E-04 4568 0.514E-02 0.908E-02 RMM: 5 -0.333438926815E+03 0.42477E-04 -0.77570E-05 3539 0.245E-02 0.644E-02 RMM: 6 -0.333438903047E+03 0.23768E-04 -0.21897E-05 2553 0.144E-02 0.342E-02 RMM: 7 -0.333438904328E+03 -0.12817E-05 -0.14149E-05 2479 0.117E-02 5725 T= 5941. E= 0.67566047E+03 F= 0.62283008E+03 E0= 0.65172499E+03 EK= 0.48383E+02 SP= 0.43E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332903540935E+03 0.53536E+00 -0.10417E-01 7536 0.231E+01 0.179E-01 RMM: 2 -0.332912587667E+03 -0.90467E-02 -0.63089E-02 5090 0.629E-01 0.793E-01 RMM: 3 -0.332908536650E+03 0.40510E-02 -0.68677E-03 5629 0.172E-01 0.152E-01 RMM: 4 -0.332908368821E+03 0.16783E-03 -0.51221E-04 4551 0.509E-02 0.104E-01 RMM: 5 -0.332908315863E+03 0.52958E-04 -0.83783E-05 3597 0.256E-02 0.692E-02 RMM: 6 -0.332908285224E+03 0.30639E-04 -0.23548E-05 2616 0.151E-02 0.306E-02 RMM: 7 -0.332908285288E+03 -0.63945E-07 -0.11486E-05 2475 0.105E-02 5726 T= 5850. E= 0.67566478E+03 F= 0.62336070E+03 E0= 0.65225459E+03 EK= 0.47637E+02 SP= 0.46E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332446390567E+03 0.46189E+00 -0.99830E-02 7472 0.228E+01 0.168E-01 RMM: 2 -0.332455191866E+03 -0.88013E-02 -0.62454E-02 5094 0.620E-01 0.753E-01 RMM: 3 -0.332451424620E+03 0.37672E-02 -0.68125E-03 5626 0.169E-01 0.145E-01 RMM: 4 -0.332451251601E+03 0.17302E-03 -0.44968E-04 4480 0.470E-02 0.857E-02 RMM: 5 -0.332451212340E+03 0.39261E-04 -0.68408E-05 3439 0.241E-02 0.615E-02 RMM: 6 -0.332451189932E+03 0.22408E-04 -0.22401E-05 2561 0.146E-02 0.343E-02 RMM: 7 -0.332451189163E+03 0.76877E-06 -0.13853E-05 2477 0.116E-02 5727 T= 5770. E= 0.67566776E+03 F= 0.62381780E+03 E0= 0.65270561E+03 EK= 0.46989E+02 SP= 0.48E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332096462445E+03 0.35473E+00 -0.98229E-02 7592 0.226E+01 0.151E-01 RMM: 2 -0.332104550630E+03 -0.80882E-02 -0.61477E-02 4957 0.615E-01 0.685E-01 RMM: 3 -0.332101486520E+03 0.30641E-02 -0.69333E-03 5735 0.168E-01 0.123E-01 RMM: 4 -0.332101352009E+03 0.13451E-03 -0.40406E-04 4512 0.453E-02 0.898E-02 RMM: 5 -0.332101309330E+03 0.42679E-04 -0.62748E-05 3350 0.240E-02 0.581E-02 RMM: 6 -0.332101289162E+03 0.20167E-04 -0.21137E-05 2550 0.141E-02 0.303E-02 RMM: 7 -0.332101289480E+03 -0.31740E-06 -0.12128E-05 2475 0.110E-02 5728 T= 5707. E= 0.67566883E+03 F= 0.62416770E+03 E0= 0.65304532E+03 EK= 0.46474E+02 SP= 0.50E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331862171761E+03 0.23912E+00 -0.97236E-02 7480 0.225E+01 0.142E-01 RMM: 2 -0.331869557011E+03 -0.73852E-02 -0.58441E-02 4988 0.589E-01 0.620E-01 RMM: 3 -0.331866931192E+03 0.26258E-02 -0.64168E-03 5724 0.160E-01 0.107E-01 RMM: 4 -0.331866835332E+03 0.95860E-04 -0.34667E-04 4393 0.424E-02 0.939E-02 RMM: 5 -0.331866783089E+03 0.52244E-04 -0.54604E-05 3231 0.231E-02 0.530E-02 RMM: 6 -0.331866767740E+03 0.15348E-04 -0.20532E-05 2531 0.138E-02 5729 T= 5661. E= 0.67566826E+03 F= 0.62440222E+03 E0= 0.65326659E+03 EK= 0.46100E+02 SP= 0.51E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331725686636E+03 0.14110E+00 -0.96367E-02 7536 0.223E+01 0.134E-01 RMM: 2 -0.331735112584E+03 -0.94259E-02 -0.65257E-02 4872 0.614E-01 0.749E-01 RMM: 3 -0.331731247841E+03 0.38647E-02 -0.74538E-03 5633 0.174E-01 0.121E-01 RMM: 4 -0.331731106066E+03 0.14178E-03 -0.38629E-04 4577 0.433E-02 0.697E-02 RMM: 5 -0.331731071030E+03 0.35036E-04 -0.43931E-05 2834 0.213E-02 0.471E-02 RMM: 6 -0.331731066303E+03 0.47264E-05 -0.20498E-05 2510 0.137E-02 5730 T= 5631. E= 0.67566658E+03 F= 0.62453792E+03 E0= 0.65338718E+03 EK= 0.45853E+02 SP= 0.53E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331656044305E+03 0.75027E-01 -0.95159E-02 7656 0.222E+01 0.234E-01 RMM: 2 -0.331674462686E+03 -0.18418E-01 -0.64252E-02 4868 0.629E-01 0.140E+00 RMM: 3 -0.331661010716E+03 0.13452E-01 -0.94664E-03 5397 0.230E-01 0.206E-01 RMM: 4 -0.331660709808E+03 0.30091E-03 -0.92554E-04 4688 0.626E-02 0.768E-02 RMM: 5 -0.331660700339E+03 0.94696E-05 -0.10860E-04 3763 0.276E-02 5731 T= 5612. E= 0.67566456E+03 F= 0.62460829E+03 E0= 0.65344211E+03 EK= 0.45700E+02 SP= 0.53E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331606238439E+03 0.54471E-01 -0.95561E-02 7832 0.222E+01 0.225E-01 RMM: 2 -0.331622075600E+03 -0.15837E-01 -0.68396E-02 4958 0.633E-01 0.123E+00 RMM: 3 -0.331611808659E+03 0.10267E-01 -0.93743E-03 5412 0.222E-01 0.248E-01 RMM: 4 -0.331611393296E+03 0.41536E-03 -0.90044E-04 4700 0.624E-02 0.745E-02 RMM: 5 -0.331611363393E+03 0.29903E-04 -0.10056E-04 3830 0.258E-02 0.695E-02 RMM: 6 -0.331611336382E+03 0.27011E-04 -0.21301E-05 2554 0.136E-02 0.429E-02 RMM: 7 -0.331611340934E+03 -0.45524E-05 -0.20450E-05 2540 0.138E-02 5732 T= 5599. E= 0.67566303E+03 F= 0.62465765E+03 E0= 0.65347687E+03 EK= 0.45598E+02 SP= 0.54E+01 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331539327514E+03 0.72009E-01 -0.94926E-02 7648 0.221E+01 0.193E-01 RMM: 2 -0.331550502538E+03 -0.11175E-01 -0.69149E-02 4751 0.639E-01 0.916E-01 RMM: 3 -0.331544869450E+03 0.56331E-02 -0.86972E-03 5596 0.197E-01 0.148E-01 RMM: 4 -0.331544755152E+03 0.11430E-03 -0.65344E-04 4678 0.547E-02 0.122E-01 RMM: 5 -0.331544696911E+03 0.58241E-04 -0.10647E-04 3715 0.277E-02 0.824E-02 RMM: 6 -0.331544652450E+03 0.44461E-04 -0.32853E-05 2950 0.177E-02 0.186E-02 RMM: 7 -0.331544654375E+03 -0.19246E-05 -0.99913E-06 2478 0.102E-02 5733 T= 5588. E= 0.67566161E+03 F= 0.62472433E+03 E0= 0.65353088E+03 EK= 0.45509E+02 SP= 0.54E+01 SK= 0.10E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331432801385E+03 0.11185E+00 -0.93891E-02 7840 0.220E+01 0.181E-01 RMM: 2 -0.331444184827E+03 -0.11383E-01 -0.74334E-02 4888 0.646E-01 0.866E-01 RMM: 3 -0.331439032451E+03 0.51524E-02 -0.87756E-03 5655 0.191E-01 0.166E-01 RMM: 4 -0.331438797763E+03 0.23469E-03 -0.60591E-04 4622 0.540E-02 0.942E-02 RMM: 5 -0.331438741940E+03 0.55824E-04 -0.84862E-05 3598 0.249E-02 0.646E-02 RMM: 6 -0.331438715823E+03 0.26117E-04 -0.22437E-05 2548 0.143E-02 0.334E-02 RMM: 7 -0.331438713428E+03 0.23949E-05 -0.15330E-05 2493 0.119E-02 5734 T= 5576. E= 0.67566176E+03 F= 0.62483028E+03 E0= 0.65362716E+03 EK= 0.45412E+02 SP= 0.54E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331287789087E+03 0.15093E+00 -0.98699E-02 7768 0.219E+01 0.149E-01 RMM: 2 -0.331298935951E+03 -0.11147E-01 -0.89686E-02 4751 0.707E-01 0.686E-01 RMM: 3 -0.331295569509E+03 0.33664E-02 -0.10703E-02 5877 0.193E-01 0.127E-01 RMM: 4 -0.331295333227E+03 0.23628E-03 -0.51588E-04 4862 0.497E-02 0.763E-02 RMM: 5 -0.331295304674E+03 0.28553E-04 -0.65422E-05 3388 0.239E-02 0.581E-02 RMM: 6 -0.331295286416E+03 0.18257E-04 -0.21782E-05 2538 0.144E-02 5735 T= 5564. E= 0.67566374E+03 F= 0.62497370E+03 E0= 0.65376371E+03 EK= 0.45309E+02 SP= 0.54E+01 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331133910185E+03 0.16139E+00 -0.94506E-02 7504 0.219E+01 0.163E-01 RMM: 2 -0.331145885299E+03 -0.11975E-01 -0.91828E-02 4773 0.705E-01 0.745E-01 RMM: 3 -0.331141875203E+03 0.40101E-02 -0.10913E-02 5796 0.198E-01 0.158E-01 RMM: 4 -0.331141599479E+03 0.27572E-03 -0.59387E-04 4754 0.533E-02 0.830E-02 RMM: 5 -0.331141553865E+03 0.45613E-04 -0.79476E-05 3573 0.237E-02 0.611E-02 RMM: 6 -0.331141535683E+03 0.18183E-04 -0.21789E-05 2530 0.142E-02 5736 T= 5554. E= 0.67566710E+03 F= 0.62512745E+03 E0= 0.65391298E+03 EK= 0.45229E+02 SP= 0.53E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331016868527E+03 0.12469E+00 -0.92797E-02 7424 0.218E+01 0.242E-01 RMM: 2 -0.331036859997E+03 -0.19991E-01 -0.82906E-02 4862 0.697E-01 0.138E+00 RMM: 3 -0.331023568409E+03 0.13292E-01 -0.11164E-02 5422 0.236E-01 0.239E-01 RMM: 4 -0.331023143524E+03 0.42488E-03 -0.11133E-03 4717 0.684E-02 0.650E-02 RMM: 5 -0.331023129326E+03 0.14199E-04 -0.13045E-04 4257 0.254E-02 5737 T= 5552. E= 0.67567118E+03 F= 0.62524586E+03 E0= 0.65402787E+03 EK= 0.45215E+02 SP= 0.52E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330985351014E+03 0.37793E-01 -0.92537E-02 7408 0.219E+01 0.171E-01 RMM: 2 -0.330999623043E+03 -0.14272E-01 -0.80806E-02 4928 0.659E-01 0.102E+00 RMM: 3 -0.330992292135E+03 0.73309E-02 -0.92965E-03 5556 0.197E-01 0.180E-01 RMM: 4 -0.330992027209E+03 0.26493E-03 -0.71307E-04 4680 0.564E-02 0.795E-02 RMM: 5 -0.330991998108E+03 0.29101E-04 -0.87833E-05 3773 0.235E-02 0.666E-02 RMM: 6 -0.330991977607E+03 0.20501E-04 -0.20466E-05 2539 0.135E-02 0.482E-02 RMM: 7 -0.330991994388E+03 -0.16781E-04 -0.39241E-05 2938 0.184E-02 5738 T= 5565. E= 0.67567452E+03 F= 0.62527699E+03 E0= 0.65405456E+03 EK= 0.45319E+02 SP= 0.50E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331090342483E+03 -0.98365E-01 -0.90932E-02 7520 0.219E+01 0.211E-01 RMM: 2 -0.331100251890E+03 -0.99094E-02 -0.70844E-02 4891 0.648E-01 0.802E-01 RMM: 3 -0.331095987823E+03 0.42641E-02 -0.86922E-03 5644 0.189E-01 0.188E-01 RMM: 4 -0.331095825639E+03 0.16218E-03 -0.74444E-04 4639 0.616E-02 0.147E-01 RMM: 5 -0.331095723102E+03 0.10254E-03 -0.13920E-04 3816 0.284E-02 0.940E-02 RMM: 6 -0.331095666710E+03 0.56392E-04 -0.39923E-05 3066 0.194E-02 0.238E-02 RMM: 7 -0.331095672674E+03 -0.59638E-05 -0.14885E-05 2494 0.117E-02 5739 T= 5598. E= 0.67567669E+03 F= 0.62517332E+03 E0= 0.65394339E+03 EK= 0.45587E+02 SP= 0.48E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331359561495E+03 -0.26389E+00 -0.91768E-02 7616 0.221E+01 0.129E-01 RMM: 2 -0.331368695991E+03 -0.91345E-02 -0.76782E-02 4958 0.655E-01 0.599E-01 RMM: 3 -0.331366310089E+03 0.23859E-02 -0.86635E-03 5955 0.166E-01 0.108E-01 RMM: 4 -0.331366121171E+03 0.18892E-03 -0.37007E-04 4495 0.450E-02 0.808E-02 RMM: 5 -0.331366068489E+03 0.52682E-04 -0.51834E-05 3170 0.214E-02 0.523E-02 RMM: 6 -0.331366057450E+03 0.11038E-04 -0.22385E-05 2526 0.140E-02 5740 T= 5655. E= 0.67567704E+03 F= 0.62490293E+03 E0= 0.65366080E+03 EK= 0.46052E+02 SP= 0.46E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331799954973E+03 -0.43389E+00 -0.98615E-02 7472 0.223E+01 0.213E-01 RMM: 2 -0.331817881521E+03 -0.17927E-01 -0.87167E-02 4847 0.718E-01 0.124E+00 RMM: 3 -0.331807216399E+03 0.10665E-01 -0.10654E-02 5430 0.223E-01 0.191E-01 RMM: 4 -0.331806948464E+03 0.26794E-03 -0.92323E-04 4870 0.598E-02 0.718E-02 RMM: 5 -0.331806929011E+03 0.19453E-04 -0.11567E-04 3838 0.284E-02 5741 T= 5737. E= 0.67567591E+03 F= 0.62446206E+03 E0= 0.65320136E+03 EK= 0.46717E+02 SP= 0.43E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332389051092E+03 -0.58210E+00 -0.99471E-02 7384 0.226E+01 0.179E-01 RMM: 2 -0.332402742899E+03 -0.13692E-01 -0.83628E-02 4899 0.693E-01 0.964E-01 RMM: 3 -0.332396292426E+03 0.64505E-02 -0.96193E-03 5500 0.201E-01 0.207E-01 RMM: 4 -0.332395968299E+03 0.32413E-03 -0.75565E-04 4681 0.598E-02 0.782E-02 RMM: 5 -0.332395938766E+03 0.29532E-04 -0.10390E-04 3901 0.254E-02 0.737E-02 RMM: 6 -0.332395911220E+03 0.27546E-04 -0.23483E-05 2556 0.145E-02 0.465E-02 RMM: 7 -0.332395918489E+03 -0.72683E-05 -0.30598E-05 2682 0.162E-02 5742 T= 5840. E= 0.67567337E+03 F= 0.62387307E+03 E0= 0.65258671E+03 EK= 0.47558E+02 SP= 0.41E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333084930630E+03 -0.68902E+00 -0.10513E-01 7552 0.229E+01 0.224E-01 RMM: 2 -0.333098533475E+03 -0.13603E-01 -0.87978E-02 4784 0.727E-01 0.980E-01 RMM: 3 -0.333092160328E+03 0.63731E-02 -0.10558E-02 5635 0.205E-01 0.182E-01 RMM: 4 -0.333091974481E+03 0.18585E-03 -0.88102E-04 4672 0.675E-02 0.151E-01 RMM: 5 -0.333091868649E+03 0.10583E-03 -0.16453E-04 3863 0.333E-02 0.884E-02 RMM: 6 -0.333091820432E+03 0.48217E-04 -0.44758E-05 3155 0.200E-02 0.284E-02 RMM: 7 -0.333091834680E+03 -0.14248E-04 -0.18452E-05 2527 0.133E-02 5743 T= 5960. E= 0.67566941E+03 F= 0.62317715E+03 E0= 0.65185791E+03 EK= 0.48532E+02 SP= 0.38E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333833443177E+03 -0.74162E+00 -0.10429E-01 7664 0.232E+01 0.168E-01 RMM: 2 -0.333846299345E+03 -0.12856E-01 -0.96465E-02 4861 0.749E-01 0.801E-01 RMM: 3 -0.333841938448E+03 0.43609E-02 -0.11610E-02 5890 0.197E-01 0.127E-01 RMM: 4 -0.333841705511E+03 0.23294E-03 -0.57967E-04 4616 0.561E-02 0.113E-01 RMM: 5 -0.333841608310E+03 0.97201E-04 -0.99392E-05 3664 0.277E-02 0.516E-02 RMM: 6 -0.333841596044E+03 0.12266E-04 -0.23470E-05 2546 0.137E-02 5744 T= 6089. E= 0.67566569E+03 F= 0.62242739E+03 E0= 0.65106821E+03 EK= 0.49586E+02 SP= 0.34E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334580974643E+03 -0.73937E+00 -0.10600E-01 7640 0.235E+01 0.163E-01 RMM: 2 -0.334594542078E+03 -0.13567E-01 -0.10025E-01 4830 0.750E-01 0.825E-01 RMM: 3 -0.334589827809E+03 0.47143E-02 -0.11927E-02 5839 0.202E-01 0.149E-01 RMM: 4 -0.334589520365E+03 0.30744E-03 -0.58929E-04 4788 0.531E-02 0.765E-02 RMM: 5 -0.334589482157E+03 0.38207E-04 -0.77661E-05 3548 0.252E-02 0.591E-02 RMM: 6 -0.334589467753E+03 0.14404E-04 -0.23345E-05 2540 0.144E-02 5745 T= 6221. E= 0.67566217E+03 F= 0.62167952E+03 E0= 0.65027578E+03 EK= 0.50659E+02 SP= 0.31E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335274655914E+03 -0.68517E+00 -0.10568E-01 7488 0.238E+01 0.337E-01 RMM: 2 -0.335306144051E+03 -0.31488E-01 -0.10761E-01 4867 0.819E-01 0.184E+00 RMM: 3 -0.335282818319E+03 0.23326E-01 -0.16321E-02 5373 0.303E-01 0.292E-01 RMM: 4 -0.335282216768E+03 0.60155E-03 -0.17936E-03 4867 0.850E-02 0.995E-02 RMM: 5 -0.335282202596E+03 0.14172E-04 -0.21033E-04 3913 0.346E-02 0.107E-01 RMM: 6 -0.335282126196E+03 0.76400E-04 -0.44359E-05 3082 0.196E-02 0.410E-02 RMM: 7 -0.335282125334E+03 0.86257E-06 -0.20532E-05 2516 0.142E-02 5746 T= 6348. E= 0.67565897E+03 F= 0.62098686E+03 E0= 0.64953561E+03 EK= 0.51695E+02 SP= 0.27E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335866877116E+03 -0.58475E+00 -0.10792E-01 7504 0.240E+01 0.248E-01 RMM: 2 -0.335886884513E+03 -0.20007E-01 -0.92070E-02 4909 0.722E-01 0.133E+00 RMM: 3 -0.335874406510E+03 0.12478E-01 -0.12083E-02 5407 0.249E-01 0.233E-01 RMM: 4 -0.335874056373E+03 0.35014E-03 -0.12288E-03 4703 0.725E-02 0.102E-01 RMM: 5 -0.335874026109E+03 0.30264E-04 -0.16332E-04 3906 0.328E-02 0.943E-02 RMM: 6 -0.335873966415E+03 0.59694E-04 -0.37480E-05 2969 0.182E-02 0.338E-02 RMM: 7 -0.335873969586E+03 -0.31709E-05 -0.19006E-05 2518 0.136E-02 5747 T= 6464. E= 0.67565640E+03 F= 0.62039502E+03 E0= 0.64889590E+03 EK= 0.52643E+02 SP= 0.24E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336320334348E+03 -0.44637E+00 -0.11209E-01 7632 0.242E+01 0.182E-01 RMM: 2 -0.336334837388E+03 -0.14503E-01 -0.97524E-02 4795 0.743E-01 0.943E-01 RMM: 3 -0.336328637405E+03 0.62000E-02 -0.11471E-02 5667 0.216E-01 0.152E-01 RMM: 4 -0.336328411230E+03 0.22617E-03 -0.69514E-04 4834 0.565E-02 0.870E-02 RMM: 5 -0.336328362064E+03 0.49166E-04 -0.93069E-05 3728 0.265E-02 0.587E-02 RMM: 6 -0.336328343877E+03 0.18187E-04 -0.23716E-05 2551 0.144E-02 5748 T= 6565. E= 0.67565446E+03 F= 0.61994065E+03 E0= 0.64839523E+03 EK= 0.53462E+02 SP= 0.20E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336607689023E+03 -0.27933E+00 -0.11682E-01 7536 0.244E+01 0.190E-01 RMM: 2 -0.336622732993E+03 -0.15044E-01 -0.96127E-02 4826 0.738E-01 0.988E-01 RMM: 3 -0.336615837222E+03 0.68958E-02 -0.11502E-02 5645 0.219E-01 0.162E-01 RMM: 4 -0.336615571344E+03 0.26588E-03 -0.71556E-04 4854 0.561E-02 0.774E-02 RMM: 5 -0.336615528747E+03 0.42597E-04 -0.79112E-05 3610 0.248E-02 0.631E-02 RMM: 6 -0.336615513680E+03 0.15067E-04 -0.21778E-05 2524 0.142E-02 5749 T= 6645. E= 0.67565304E+03 F= 0.61965348E+03 E0= 0.64806593E+03 EK= 0.54116E+02 SP= 0.16E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336707339608E+03 -0.91811E-01 -0.12082E-01 7472 0.245E+01 0.324E-01 RMM: 2 -0.336739311605E+03 -0.31972E-01 -0.11249E-01 4765 0.829E-01 0.183E+00 RMM: 3 -0.336716142248E+03 0.23169E-01 -0.17248E-02 5373 0.314E-01 0.311E-01 RMM: 4 -0.336715447521E+03 0.69473E-03 -0.17795E-03 4973 0.835E-02 0.784E-02 RMM: 5 -0.336715438816E+03 0.87057E-05 -0.18151E-04 3935 0.325E-02 5750 T= 6703. E= 0.67565327E+03 F= 0.61955355E+03 E0= 0.64793026E+03 EK= 0.54583E+02 SP= 0.13E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336611165285E+03 0.10428E+00 -0.12374E-01 7600 0.245E+01 0.253E-01 RMM: 2 -0.336637948272E+03 -0.26783E-01 -0.11462E-01 4769 0.805E-01 0.155E+00 RMM: 3 -0.336620883338E+03 0.17065E-01 -0.15215E-02 5407 0.281E-01 0.242E-01 RMM: 4 -0.336620457014E+03 0.42632E-03 -0.13885E-03 4874 0.741E-02 0.992E-02 RMM: 5 -0.336620408296E+03 0.48718E-04 -0.14556E-04 3973 0.324E-02 0.826E-02 RMM: 6 -0.336620371187E+03 0.37108E-04 -0.32554E-05 2639 0.168E-02 0.549E-02 RMM: 7 -0.336620393400E+03 -0.22213E-04 -0.50218E-05 3186 0.190E-02 0.935E-02 RMM: 8 -0.336620334738E+03 0.58661E-04 -0.11827E-04 3882 0.269E-02 0.280E-02 RMM: 9 -0.336620334480E+03 0.25890E-06 -0.14868E-05 2518 0.107E-02 5751 T= 6735. E= 0.67565395E+03 F= 0.61964865E+03 E0= 0.64799795E+03 EK= 0.54850E+02 SP= 0.92E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336321199831E+03 0.29913E+00 -0.12422E-01 7416 0.246E+01 0.235E-01 RMM: 2 -0.336337440752E+03 -0.16241E-01 -0.12342E-01 4651 0.865E-01 0.927E-01 RMM: 3 -0.336331532594E+03 0.59082E-02 -0.15409E-02 5796 0.243E-01 0.164E-01 RMM: 4 -0.336331493164E+03 0.39429E-04 -0.10379E-03 4821 0.752E-02 0.220E-01 RMM: 5 -0.336331179487E+03 0.31368E-03 -0.19250E-04 3876 0.360E-02 0.704E-02 RMM: 6 -0.336331151679E+03 0.27808E-04 -0.42241E-05 3064 0.192E-02 0.291E-02 RMM: 7 -0.336331163526E+03 -0.11847E-04 -0.19200E-05 2530 0.138E-02 5752 T= 6743. E= 0.67565504E+03 F= 0.61993783E+03 E0= 0.64826820E+03 EK= 0.54915E+02 SP= 0.58E+00 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335847949186E+03 0.48320E+00 -0.12190E-01 7528 0.245E+01 0.157E-01 RMM: 2 -0.335862640908E+03 -0.14692E-01 -0.12470E-01 4714 0.860E-01 0.698E-01 RMM: 3 -0.335859133449E+03 0.35075E-02 -0.15767E-02 6186 0.229E-01 0.148E-01 RMM: 4 -0.335858739526E+03 0.39392E-03 -0.59537E-04 4717 0.604E-02 0.799E-02 RMM: 5 -0.335858689504E+03 0.50021E-04 -0.80326E-05 3618 0.273E-02 0.540E-02 RMM: 6 -0.335858682580E+03 0.69249E-05 -0.24274E-05 2531 0.151E-02 5753 T= 6728. E= 0.67565744E+03 F= 0.62041031E+03 E0= 0.64873129E+03 EK= 0.54788E+02 SP= 0.24E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335211517978E+03 0.64717E+00 -0.13444E-01 7616 0.244E+01 0.226E-01 RMM: 2 -0.335236078431E+03 -0.24560E-01 -0.15892E-01 4665 0.972E-01 0.121E+00 RMM: 3 -0.335225411645E+03 0.10667E-01 -0.19028E-02 5639 0.279E-01 0.216E-01 RMM: 4 -0.335224951409E+03 0.46024E-03 -0.12484E-03 5119 0.735E-02 0.844E-02 RMM: 5 -0.335224912924E+03 0.38485E-04 -0.15031E-04 4134 0.314E-02 0.702E-02 RMM: 6 -0.335224889093E+03 0.23831E-04 -0.28574E-05 2631 0.158E-02 0.527E-02 RMM: 7 -0.335224904171E+03 -0.15078E-04 -0.36106E-05 2860 0.180E-02 5754 T= 6691. E= 0.67565967E+03 F= 0.62104409E+03 E0= 0.64936495E+03 EK= 0.54489E+02 SP= -.78E-01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334448833069E+03 0.77606E+00 -0.11828E-01 7736 0.243E+01 0.269E-01 RMM: 2 -0.334471455368E+03 -0.22622E-01 -0.11589E-01 4702 0.844E-01 0.139E+00 RMM: 3 -0.334458307498E+03 0.13148E-01 -0.15076E-02 5468 0.274E-01 0.253E-01 RMM: 4 -0.334457889360E+03 0.41814E-03 -0.14646E-03 4906 0.824E-02 0.123E-01 RMM: 5 -0.334457858093E+03 0.31267E-04 -0.19734E-04 3897 0.336E-02 0.113E-01 RMM: 6 -0.334457774822E+03 0.83271E-04 -0.51505E-05 3217 0.211E-02 0.328E-02 RMM: 7 -0.334457776810E+03 -0.19884E-05 -0.17156E-05 2516 0.128E-02 5755 T= 6637. E= 0.67566287E+03 F= 0.62181121E+03 E0= 0.65014117E+03 EK= 0.54048E+02 SP= -.39E+00 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333581758246E+03 0.87602E+00 -0.11522E-01 7784 0.241E+01 0.207E-01 RMM: 2 -0.333599848042E+03 -0.18090E-01 -0.11446E-01 4753 0.813E-01 0.108E+00 RMM: 3 -0.333591602631E+03 0.82454E-02 -0.14020E-02 5669 0.242E-01 0.189E-01 RMM: 4 -0.333591264851E+03 0.33778E-03 -0.88007E-04 4862 0.645E-02 0.904E-02 RMM: 5 -0.333591218781E+03 0.46070E-04 -0.11552E-04 3919 0.289E-02 0.681E-02 RMM: 6 -0.333591197026E+03 0.21755E-04 -0.27134E-05 2582 0.155E-02 0.487E-02 RMM: 7 -0.333591203388E+03 -0.63617E-05 -0.26333E-05 2607 0.153E-02 5756 T= 6570. E= 0.67566599E+03 F= 0.62267779E+03 E0= 0.65102371E+03 EK= 0.53500E+02 SP= -.70E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332649146594E+03 0.94205E+00 -0.12303E-01 7800 0.239E+01 0.178E-01 RMM: 2 -0.332664310980E+03 -0.15164E-01 -0.12374E-01 4715 0.852E-01 0.775E-01 RMM: 3 -0.332659965739E+03 0.43452E-02 -0.15140E-02 5909 0.234E-01 0.154E-01 RMM: 4 -0.332659633306E+03 0.33243E-03 -0.75154E-04 4891 0.629E-02 0.968E-02 RMM: 5 -0.332659582418E+03 0.50888E-04 -0.10324E-04 3762 0.290E-02 0.654E-02 RMM: 6 -0.332659560069E+03 0.22349E-04 -0.25819E-05 2566 0.154E-02 0.377E-02 RMM: 7 -0.332659561613E+03 -0.15443E-05 -0.15403E-05 2499 0.126E-02 5757 T= 6494. E= 0.67566936E+03 F= 0.62360943E+03 E0= 0.65197758E+03 EK= 0.52880E+02 SP= -.10E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331689661097E+03 0.96990E+00 -0.12126E-01 7808 0.237E+01 0.148E-01 RMM: 2 -0.331702562519E+03 -0.12901E-01 -0.11493E-01 4781 0.807E-01 0.611E-01 RMM: 3 -0.331699809167E+03 0.27534E-02 -0.13316E-02 6058 0.211E-01 0.132E-01 RMM: 4 -0.331699528540E+03 0.28063E-03 -0.56915E-04 4644 0.595E-02 0.104E-01 RMM: 5 -0.331699456363E+03 0.72177E-04 -0.80337E-05 3477 0.278E-02 0.586E-02 RMM: 6 -0.331699442697E+03 0.13666E-04 -0.24051E-05 2545 0.147E-02 5758 T= 6414. E= 0.67567346E+03 F= 0.62456955E+03 E0= 0.65296319E+03 EK= 0.52229E+02 SP= -.13E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330743685351E+03 0.95577E+00 -0.11545E-01 7928 0.235E+01 0.202E-01 RMM: 2 -0.330761546450E+03 -0.17861E-01 -0.11191E-01 4766 0.801E-01 0.107E+00 RMM: 3 -0.330753375935E+03 0.81705E-02 -0.13822E-02 5623 0.243E-01 0.195E-01 RMM: 4 -0.330753025978E+03 0.34996E-03 -0.87956E-04 4889 0.632E-02 0.785E-02 RMM: 5 -0.330752996809E+03 0.29168E-04 -0.10583E-04 3861 0.286E-02 0.670E-02 RMM: 6 -0.330752979564E+03 0.17246E-04 -0.22428E-05 2552 0.136E-02 5759 T= 6335. E= 0.67567782E+03 F= 0.62551601E+03 E0= 0.65393705E+03 EK= 0.51592E+02 SP= -.16E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329864486823E+03 0.88851E+00 -0.11348E-01 7952 0.234E+01 0.290E-01 RMM: 2 -0.329891800498E+03 -0.27314E-01 -0.10252E-01 4886 0.768E-01 0.166E+00 RMM: 3 -0.329872603292E+03 0.19197E-01 -0.14287E-02 5386 0.281E-01 0.270E-01 RMM: 4 -0.329872085746E+03 0.51755E-03 -0.14807E-03 4829 0.780E-02 0.928E-02 RMM: 5 -0.329872048317E+03 0.37429E-04 -0.15164E-04 4080 0.298E-02 0.848E-02 RMM: 6 -0.329872012470E+03 0.35847E-04 -0.25409E-05 2585 0.148E-02 0.599E-02 RMM: 7 -0.329872025043E+03 -0.12573E-04 -0.30124E-05 2713 0.171E-02 5760 T= 6266. E= 0.67568253E+03 F= 0.62639696E+03 E0= 0.65484570E+03 EK= 0.51023E+02 SP= -.19E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329112903091E+03 0.75911E+00 -0.12092E-01 7976 0.233E+01 0.305E-01 RMM: 2 -0.329137594820E+03 -0.24692E-01 -0.12877E-01 4785 0.852E-01 0.142E+00 RMM: 3 -0.329123359934E+03 0.14235E-01 -0.16382E-02 5425 0.290E-01 0.321E-01 RMM: 4 -0.329122648517E+03 0.71142E-03 -0.17737E-03 5034 0.904E-02 0.109E-01 RMM: 5 -0.329122731725E+03 -0.83208E-04 -0.26523E-04 3921 0.377E-02 0.163E-01 RMM: 6 -0.329122560429E+03 0.17130E-03 -0.83743E-05 3553 0.263E-02 0.362E-02 RMM: 7 -0.329122561067E+03 -0.63803E-06 -0.19870E-05 2550 0.133E-02 5761 T= 6213. E= 0.67568833E+03 F= 0.62714643E+03 E0= 0.65562180E+03 EK= 0.50592E+02 SP= -.23E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328576284433E+03 0.54628E+00 -0.12220E-01 8312 0.232E+01 0.238E-01 RMM: 2 -0.328597207296E+03 -0.20923E-01 -0.12104E-01 5068 0.792E-01 0.123E+00 RMM: 3 -0.328586176126E+03 0.11031E-01 -0.12931E-02 5576 0.244E-01 0.213E-01 RMM: 4 -0.328585818078E+03 0.35805E-03 -0.10194E-03 4874 0.653E-02 0.984E-02 RMM: 5 -0.328585749538E+03 0.68540E-04 -0.12051E-04 3842 0.288E-02 0.774E-02 RMM: 6 -0.328585715154E+03 0.34384E-04 -0.26811E-05 2618 0.151E-02 0.557E-02 RMM: 7 -0.328585710395E+03 0.47594E-05 -0.36615E-05 2725 0.175E-02 5762 T= 6187. E= 0.67569432E+03 F= 0.62768328E+03 E0= 0.65618216E+03 EK= 0.50383E+02 SP= -.26E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328342313435E+03 0.24340E+00 -0.12600E-01 8264 0.231E+01 0.232E-01 RMM: 2 -0.328360151948E+03 -0.17839E-01 -0.12106E-01 5020 0.805E-01 0.104E+00 RMM: 3 -0.328352216084E+03 0.79359E-02 -0.13193E-02 5724 0.242E-01 0.186E-01 RMM: 4 -0.328351901055E+03 0.31503E-03 -0.94278E-04 4874 0.636E-02 0.934E-02 RMM: 5 -0.328351875739E+03 0.25317E-04 -0.12264E-04 3783 0.292E-02 0.873E-02 RMM: 6 -0.328351829861E+03 0.45878E-04 -0.32116E-05 2888 0.170E-02 0.389E-02 RMM: 7 -0.328351833466E+03 -0.36047E-05 -0.17717E-05 2509 0.134E-02 5763 T= 6200. E= 0.67569951E+03 F= 0.62791716E+03 E0= 0.65643631E+03 EK= 0.50487E+02 SP= -.30E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328494478159E+03 -0.14265E+00 -0.13007E-01 8104 0.232E+01 0.222E-01 RMM: 2 -0.328512982664E+03 -0.18505E-01 -0.13866E-01 5063 0.845E-01 0.962E-01 RMM: 3 -0.328506079732E+03 0.69029E-02 -0.14329E-02 5927 0.233E-01 0.203E-01 RMM: 4 -0.328505650657E+03 0.42907E-03 -0.87151E-04 4767 0.657E-02 0.115E-01 RMM: 5 -0.328505568265E+03 0.82393E-04 -0.12681E-04 3853 0.283E-02 0.794E-02 RMM: 6 -0.328505531552E+03 0.36713E-04 -0.28150E-05 2681 0.162E-02 0.424E-02 RMM: 7 -0.328505528221E+03 0.33303E-05 -0.25236E-05 2574 0.144E-02 5764 T= 6261. E= 0.67570290E+03 F= 0.62776346E+03 E0= 0.65629649E+03 EK= 0.50989E+02 SP= -.33E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329095520728E+03 -0.58999E+00 -0.12731E-01 8368 0.233E+01 0.213E-01 RMM: 2 -0.329113387704E+03 -0.17867E-01 -0.12269E-01 5217 0.786E-01 0.101E+00 RMM: 3 -0.329105719629E+03 0.76681E-02 -0.11773E-02 5835 0.217E-01 0.205E-01 RMM: 4 -0.329105328468E+03 0.39116E-03 -0.79040E-04 4762 0.607E-02 0.886E-02 RMM: 5 -0.329105294062E+03 0.34405E-04 -0.11292E-04 3752 0.268E-02 0.812E-02 RMM: 6 -0.329105256837E+03 0.37225E-04 -0.29722E-05 2855 0.166E-02 0.427E-02 RMM: 7 -0.329105260861E+03 -0.40241E-05 -0.19758E-05 2518 0.135E-02 5765 T= 6379. E= 0.67570280E+03 F= 0.62716373E+03 E0= 0.65570372E+03 EK= 0.51948E+02 SP= -.37E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330150541453E+03 -0.10453E+01 -0.12725E-01 8264 0.236E+01 0.212E-01 RMM: 2 -0.330167639553E+03 -0.17098E-01 -0.12705E-01 5114 0.806E-01 0.937E-01 RMM: 3 -0.330161168983E+03 0.64706E-02 -0.12715E-02 5911 0.221E-01 0.197E-01 RMM: 4 -0.330160804922E+03 0.36406E-03 -0.81665E-04 4731 0.638E-02 0.112E-01 RMM: 5 -0.330160737078E+03 0.67844E-04 -0.12407E-04 3779 0.281E-02 0.798E-02 RMM: 6 -0.330160698108E+03 0.38970E-04 -0.29368E-05 2795 0.167E-02 0.345E-02 RMM: 7 -0.330160698599E+03 -0.49018E-06 -0.15923E-05 2500 0.122E-02 5766 T= 6554. E= 0.67569840E+03 F= 0.62610829E+03 E0= 0.65464706E+03 EK= 0.53372E+02 SP= -.41E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331606608149E+03 -0.14459E+01 -0.12858E-01 8344 0.240E+01 0.175E-01 RMM: 2 -0.331620889506E+03 -0.14281E-01 -0.11081E-01 5284 0.739E-01 0.808E-01 RMM: 3 -0.331615793904E+03 0.50956E-02 -0.96096E-03 5999 0.190E-01 0.158E-01 RMM: 4 -0.331615544719E+03 0.24918E-03 -0.55412E-04 4615 0.529E-02 0.104E-01 RMM: 5 -0.331615469942E+03 0.74777E-04 -0.88538E-05 3598 0.254E-02 0.682E-02 RMM: 6 -0.331615445761E+03 0.24181E-04 -0.25722E-05 2647 0.155E-02 0.453E-02 RMM: 7 -0.331615438348E+03 0.74137E-05 -0.32560E-05 2618 0.165E-02 5767 T= 6778. E= 0.67568881E+03 F= 0.62465355E+03 E0= 0.65318187E+03 EK= 0.55199E+02 SP= -.44E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333335433249E+03 -0.17200E+01 -0.13194E-01 8200 0.244E+01 0.176E-01 RMM: 2 -0.333348029185E+03 -0.12596E-01 -0.10751E-01 5222 0.745E-01 0.697E-01 RMM: 3 -0.333344361786E+03 0.36674E-02 -0.10054E-02 6119 0.189E-01 0.132E-01 RMM: 4 -0.333344169791E+03 0.19200E-03 -0.54438E-04 4614 0.543E-02 0.136E-01 RMM: 5 -0.333344049189E+03 0.12060E-03 -0.10252E-04 3706 0.279E-02 0.616E-02 RMM: 6 -0.333344029518E+03 0.19671E-04 -0.22705E-05 2575 0.145E-02 5768 T= 7036. E= 0.67567532E+03 F= 0.62292496E+03 E0= 0.65143444E+03 EK= 0.57298E+02 SP= -.48E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335154669602E+03 -0.18106E+01 -0.13247E-01 8120 0.249E+01 0.176E-01 RMM: 2 -0.335170132606E+03 -0.15463E-01 -0.11961E-01 5202 0.776E-01 0.831E-01 RMM: 3 -0.335164854741E+03 0.52779E-02 -0.11450E-02 5766 0.206E-01 0.155E-01 RMM: 4 -0.335164603641E+03 0.25110E-03 -0.66687E-04 4757 0.565E-02 0.110E-01 RMM: 5 -0.335164507130E+03 0.96511E-04 -0.10042E-04 3723 0.271E-02 0.619E-02 RMM: 6 -0.335164492979E+03 0.14151E-04 -0.22479E-05 2549 0.139E-02 5769 T= 7304. E= 0.67566022E+03 F= 0.62110450E+03 E0= 0.64958767E+03 EK= 0.59479E+02 SP= -.51E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336855634942E+03 -0.16911E+01 -0.12753E-01 7832 0.253E+01 0.241E-01 RMM: 2 -0.336875990390E+03 -0.20355E-01 -0.10781E-01 5167 0.791E-01 0.128E+00 RMM: 3 -0.336864267340E+03 0.11723E-01 -0.11636E-02 5589 0.234E-01 0.198E-01 RMM: 4 -0.336863965596E+03 0.30174E-03 -0.99631E-04 4727 0.680E-02 0.111E-01 RMM: 5 -0.336863881322E+03 0.84274E-04 -0.14518E-04 3864 0.323E-02 0.733E-02 RMM: 6 -0.336863856226E+03 0.25096E-04 -0.30922E-05 2690 0.167E-02 0.550E-02 RMM: 7 -0.336863854117E+03 0.21089E-05 -0.29902E-05 2561 0.170E-02 5770 T= 7554. E= 0.67564530E+03 F= 0.61940514E+03 E0= 0.64785809E+03 EK= 0.61518E+02 SP= -.54E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338224038376E+03 -0.13602E+01 -0.13269E-01 7784 0.258E+01 0.265E-01 RMM: 2 -0.338243198972E+03 -0.19161E-01 -0.12990E-01 5050 0.866E-01 0.110E+00 RMM: 3 -0.338234868968E+03 0.83300E-02 -0.15155E-02 5624 0.257E-01 0.287E-01 RMM: 4 -0.338234284535E+03 0.58443E-03 -0.13524E-03 4801 0.815E-02 0.139E-01 RMM: 5 -0.338234171940E+03 0.11260E-03 -0.22575E-04 3902 0.395E-02 0.930E-02 RMM: 6 -0.338234116990E+03 0.54950E-04 -0.44478E-05 3088 0.199E-02 0.373E-02 RMM: 7 -0.338234117353E+03 -0.36295E-06 -0.22359E-05 2514 0.147E-02 5771 T= 7760. E= 0.67563265E+03 F= 0.61803487E+03 E0= 0.64645643E+03 EK= 0.63193E+02 SP= -.57E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339091433398E+03 -0.85732E+00 -0.13121E-01 7880 0.260E+01 0.191E-01 RMM: 2 -0.339105527222E+03 -0.14094E-01 -0.11364E-01 5063 0.811E-01 0.792E-01 RMM: 3 -0.339101126623E+03 0.44006E-02 -0.12330E-02 5951 0.212E-01 0.156E-01 RMM: 4 -0.339100844907E+03 0.28172E-03 -0.64613E-04 4715 0.595E-02 0.131E-01 RMM: 5 -0.339100718875E+03 0.12603E-03 -0.12441E-04 3831 0.315E-02 0.658E-02 RMM: 6 -0.339100698347E+03 0.20528E-04 -0.29856E-05 2674 0.162E-02 0.505E-02 RMM: 7 -0.339100678260E+03 0.20087E-04 -0.33264E-05 2557 0.175E-02 0.469E-02 RMM: 8 -0.339100662163E+03 0.16097E-04 -0.21014E-05 2503 0.124E-02 5772 T= 7898. E= 0.67562388E+03 F= 0.61716833E+03 E0= 0.64556056E+03 EK= 0.64317E+02 SP= -.59E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339332576485E+03 -0.23190E+00 -0.13108E-01 7608 0.262E+01 0.223E-01 RMM: 2 -0.339349190448E+03 -0.16614E-01 -0.11577E-01 4939 0.820E-01 0.991E-01 RMM: 3 -0.339342331798E+03 0.68587E-02 -0.13442E-02 5735 0.234E-01 0.210E-01 RMM: 4 -0.339341969942E+03 0.36186E-03 -0.97109E-04 4723 0.708E-02 0.129E-01 RMM: 5 -0.339341879109E+03 0.90832E-04 -0.16988E-04 3880 0.352E-02 0.898E-02 RMM: 6 -0.339341825887E+03 0.53222E-04 -0.43296E-05 3079 0.199E-02 0.318E-02 RMM: 7 -0.339341826169E+03 -0.28176E-06 -0.17347E-05 2501 0.130E-02 5773 T= 7952. E= 0.67562047E+03 F= 0.61692716E+03 E0= 0.64529498E+03 EK= 0.64760E+02 SP= -.61E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338895022591E+03 0.44680E+00 -0.13333E-01 7704 0.262E+01 0.199E-01 RMM: 2 -0.338908768479E+03 -0.13746E-01 -0.98017E-02 4988 0.770E-01 0.907E-01 RMM: 3 -0.338903265962E+03 0.55025E-02 -0.11674E-02 5779 0.220E-01 0.179E-01 RMM: 4 -0.338902950811E+03 0.31515E-03 -0.69215E-04 4862 0.570E-02 0.901E-02 RMM: 5 -0.338902881901E+03 0.68910E-04 -0.93803E-05 3703 0.278E-02 0.621E-02 RMM: 6 -0.338902867791E+03 0.14110E-04 -0.24666E-05 2551 0.145E-02 5774 T= 7916. E= 0.67562249E+03 F= 0.61736612E+03 E0= 0.64571638E+03 EK= 0.64461E+02 SP= -.62E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337788613591E+03 0.11143E+01 -0.13838E-01 7704 0.260E+01 0.203E-01 RMM: 2 -0.337806651734E+03 -0.18038E-01 -0.10570E-01 4787 0.779E-01 0.114E+00 RMM: 3 -0.337797637122E+03 0.90146E-02 -0.12842E-02 5614 0.236E-01 0.183E-01 RMM: 4 -0.337797334224E+03 0.30290E-03 -0.82449E-04 4819 0.614E-02 0.797E-02 RMM: 5 -0.337797297301E+03 0.36923E-04 -0.10168E-04 3861 0.282E-02 0.639E-02 RMM: 6 -0.337797279970E+03 0.17332E-04 -0.25227E-05 2559 0.148E-02 5775 T= 7789. E= 0.67562860E+03 F= 0.61847171E+03 E0= 0.64681302E+03 EK= 0.63432E+02 SP= -.63E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336090343373E+03 0.17070E+01 -0.13298E-01 7776 0.257E+01 0.293E-01 RMM: 2 -0.336116951868E+03 -0.26608E-01 -0.98595E-02 4793 0.784E-01 0.164E+00 RMM: 3 -0.336098295378E+03 0.18656E-01 -0.14828E-02 5405 0.286E-01 0.301E-01 RMM: 4 -0.336097654863E+03 0.64051E-03 -0.15052E-03 4860 0.814E-02 0.776E-02 RMM: 5 -0.336097629121E+03 0.25742E-04 -0.16861E-04 4094 0.299E-02 0.839E-02 RMM: 6 -0.336097588441E+03 0.40679E-04 -0.32850E-05 2836 0.174E-02 0.435E-02 RMM: 7 -0.336097603584E+03 -0.15143E-04 -0.32541E-05 2632 0.170E-02 5776 T= 7583. E= 0.67563903E+03 F= 0.62017139E+03 E0= 0.64850971E+03 EK= 0.61754E+02 SP= -.63E+01 SK= 0.27E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333922792574E+03 0.21748E+01 -0.13054E-01 7600 0.254E+01 0.286E-01 RMM: 2 -0.333945817914E+03 -0.23025E-01 -0.10115E-01 4774 0.786E-01 0.148E+00 RMM: 3 -0.333930884224E+03 0.14934E-01 -0.14125E-02 5407 0.275E-01 0.289E-01 RMM: 4 -0.333930333387E+03 0.55084E-03 -0.14903E-03 4861 0.827E-02 0.100E-01 RMM: 5 -0.333930351615E+03 -0.18228E-04 -0.20673E-04 3907 0.351E-02 0.119E-01 RMM: 6 -0.333930255987E+03 0.95627E-04 -0.60872E-05 3345 0.231E-02 0.333E-02 RMM: 7 -0.333930256587E+03 -0.59998E-06 -0.15274E-05 2512 0.120E-02 5777 T= 7314. E= 0.67565261E+03 F= 0.62233873E+03 E0= 0.65067839E+03 EK= 0.59564E+02 SP= -.63E+01 SK= 0.46E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331452180546E+03 0.24781E+01 -0.13325E-01 7600 0.249E+01 0.217E-01 RMM: 2 -0.331470298481E+03 -0.18118E-01 -0.11636E-01 4744 0.826E-01 0.107E+00 RMM: 3 -0.331462314244E+03 0.79842E-02 -0.14237E-02 5637 0.245E-01 0.245E-01 RMM: 4 -0.331461812583E+03 0.50166E-03 -0.99440E-04 4727 0.704E-02 0.833E-02 RMM: 5 -0.331461777563E+03 0.35019E-04 -0.14326E-04 3925 0.313E-02 0.788E-02 RMM: 6 -0.331461739593E+03 0.37971E-04 -0.33441E-05 2837 0.172E-02 0.396E-02 RMM: 7 -0.331461741742E+03 -0.21494E-05 -0.28526E-05 2561 0.165E-02 5778 T= 7005. E= 0.67566829E+03 F= 0.62480725E+03 E0= 0.65314962E+03 EK= 0.57041E+02 SP= -.62E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328876479128E+03 0.25853E+01 -0.13270E-01 7656 0.244E+01 0.181E-01 RMM: 2 -0.328890230896E+03 -0.13752E-01 -0.11043E-01 4770 0.807E-01 0.772E-01 RMM: 3 -0.328886033284E+03 0.41976E-02 -0.13346E-02 5870 0.222E-01 0.132E-01 RMM: 4 -0.328885814929E+03 0.21836E-03 -0.66320E-04 4791 0.590E-02 0.121E-01 RMM: 5 -0.328885728398E+03 0.86531E-04 -0.10956E-04 3704 0.301E-02 0.669E-02 RMM: 6 -0.328885702592E+03 0.25807E-04 -0.29130E-05 2666 0.161E-02 0.369E-02 RMM: 7 -0.328885701195E+03 0.13969E-05 -0.23768E-05 2514 0.157E-02 5779 T= 6679. E= 0.67568414E+03 F= 0.62738329E+03 E0= 0.65572844E+03 EK= 0.54394E+02 SP= -.61E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326395534888E+03 0.24902E+01 -0.12616E-01 7640 0.239E+01 0.190E-01 RMM: 2 -0.326411037453E+03 -0.15503E-01 -0.12363E-01 4739 0.846E-01 0.810E-01 RMM: 3 -0.326406394658E+03 0.46428E-02 -0.14751E-02 5936 0.224E-01 0.179E-01 RMM: 4 -0.326406010921E+03 0.38374E-03 -0.77190E-04 4684 0.678E-02 0.116E-01 RMM: 5 -0.326405930132E+03 0.80789E-04 -0.13431E-04 3848 0.321E-02 0.729E-02 RMM: 6 -0.326405900352E+03 0.29780E-04 -0.32300E-05 2867 0.172E-02 0.353E-02 RMM: 7 -0.326405901972E+03 -0.16201E-05 -0.18751E-05 2502 0.136E-02 5780 T= 6366. E= 0.67569949E+03 F= 0.62986309E+03 E0= 0.65821028E+03 EK= 0.51839E+02 SP= -.60E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324213714416E+03 0.21922E+01 -0.11308E-01 7592 0.233E+01 0.181E-01 RMM: 2 -0.324224849102E+03 -0.11135E-01 -0.88329E-02 4935 0.722E-01 0.722E-01 RMM: 3 -0.324221236563E+03 0.36125E-02 -0.10056E-02 5817 0.191E-01 0.151E-01 RMM: 4 -0.324221025274E+03 0.21129E-03 -0.57362E-04 4627 0.564E-02 0.120E-01 RMM: 5 -0.324220937245E+03 0.88029E-04 -0.10467E-04 3697 0.286E-02 0.645E-02 RMM: 6 -0.324220915358E+03 0.21886E-04 -0.27060E-05 2695 0.159E-02 0.377E-02 RMM: 7 -0.324220918930E+03 -0.35714E-05 -0.22350E-05 2518 0.145E-02 5781 T= 6089. E= 0.67571272E+03 F= 0.63204807E+03 E0= 0.66039795E+03 EK= 0.49587E+02 SP= -.59E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322493349317E+03 0.17276E+01 -0.11345E-01 7584 0.229E+01 0.173E-01 RMM: 2 -0.322506466373E+03 -0.13117E-01 -0.11227E-01 4766 0.818E-01 0.673E-01 RMM: 3 -0.322503269973E+03 0.31964E-02 -0.13447E-02 5952 0.208E-01 0.135E-01 RMM: 4 -0.322503022382E+03 0.24759E-03 -0.66679E-04 4640 0.639E-02 0.131E-01 RMM: 5 -0.322502916423E+03 0.10596E-03 -0.11306E-04 3732 0.305E-02 0.602E-02 RMM: 6 -0.322502897783E+03 0.18640E-04 -0.26172E-05 2603 0.154E-02 5782 T= 5872. E= 0.67572286E+03 F= 0.63376609E+03 E0= 0.66212151E+03 EK= 0.47815E+02 SP= -.59E+01 SK= 0.65E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321369316659E+03 0.11336E+01 -0.10504E-01 7496 0.226E+01 0.181E-01 RMM: 2 -0.321385519170E+03 -0.16203E-01 -0.10483E-01 4862 0.773E-01 0.991E-01 RMM: 3 -0.321378549087E+03 0.69701E-02 -0.12343E-02 5676 0.215E-01 0.154E-01 RMM: 4 -0.321378288993E+03 0.26009E-03 -0.70296E-04 4792 0.569E-02 0.893E-02 RMM: 5 -0.321378230257E+03 0.58736E-04 -0.90960E-05 3814 0.260E-02 0.517E-02 RMM: 6 -0.321378222488E+03 0.77696E-05 -0.21151E-05 2542 0.131E-02 5783 T= 5729. E= 0.67572879E+03 F= 0.63489077E+03 E0= 0.66325762E+03 EK= 0.46656E+02 SP= -.58E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320903764564E+03 0.47447E+00 -0.97481E-02 7672 0.224E+01 0.220E-01 RMM: 2 -0.320923301971E+03 -0.19537E-01 -0.78283E-02 4978 0.665E-01 0.136E+00 RMM: 3 -0.320910183272E+03 0.13119E-01 -0.10096E-02 5401 0.228E-01 0.158E-01 RMM: 4 -0.320910032919E+03 0.15035E-03 -0.95693E-04 4896 0.594E-02 0.918E-02 RMM: 5 -0.320909981819E+03 0.51100E-04 -0.95423E-05 3749 0.249E-02 0.644E-02 RMM: 6 -0.320909958572E+03 0.23248E-04 -0.22233E-05 2569 0.144E-02 0.365E-02 RMM: 7 -0.320909961784E+03 -0.32127E-05 -0.13609E-05 2498 0.116E-02 5784 T= 5670. E= 0.67572919E+03 F= 0.63535903E+03 E0= 0.66374433E+03 EK= 0.46175E+02 SP= -.58E+01 SK= 0.72E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.321080633154E+03 -0.17067E+00 -0.10612E-01 7720 0.224E+01 0.217E-01 RMM: 2 -0.321098003296E+03 -0.17370E-01 -0.10478E-01 4842 0.767E-01 0.110E+00 RMM: 3 -0.321089591002E+03 0.84123E-02 -0.12577E-02 5559 0.231E-01 0.213E-01 RMM: 4 -0.321089249044E+03 0.34196E-03 -0.10297E-03 4709 0.694E-02 0.106E-01 RMM: 5 -0.321089207417E+03 0.41627E-04 -0.14682E-04 3859 0.301E-02 0.840E-02 RMM: 6 -0.321089160339E+03 0.47078E-04 -0.31927E-05 2900 0.170E-02 0.285E-02 RMM: 7 -0.321089160974E+03 -0.63419E-06 -0.13453E-05 2490 0.117E-02 5785 T= 5693. E= 0.67572483E+03 F= 0.63517983E+03 E0= 0.66359294E+03 EK= 0.46364E+02 SP= -.58E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321836621756E+03 -0.74746E+00 -0.99493E-02 7744 0.226E+01 0.169E-01 RMM: 2 -0.321848994249E+03 -0.12372E-01 -0.85707E-02 5075 0.679E-01 0.845E-01 RMM: 3 -0.321843981616E+03 0.50126E-02 -0.95396E-03 5775 0.188E-01 0.148E-01 RMM: 4 -0.321843756731E+03 0.22489E-03 -0.55841E-04 4623 0.519E-02 0.935E-02 RMM: 5 -0.321843696297E+03 0.60434E-04 -0.78516E-05 3574 0.233E-02 0.577E-02 RMM: 6 -0.321843680249E+03 0.16048E-04 -0.19969E-05 2544 0.134E-02 5786 T= 5790. E= 0.67571722E+03 F= 0.63442531E+03 E0= 0.66287455E+03 EK= 0.47153E+02 SP= -.59E+01 SK= 0.75E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323049854014E+03 -0.12062E+01 -0.10165E-01 7752 0.229E+01 0.203E-01 RMM: 2 -0.323065255185E+03 -0.15401E-01 -0.90874E-02 5098 0.695E-01 0.105E+00 RMM: 3 -0.323057614673E+03 0.76405E-02 -0.10975E-02 5617 0.214E-01 0.181E-01 RMM: 4 -0.323057323926E+03 0.29075E-03 -0.80107E-04 4971 0.558E-02 0.821E-02 RMM: 5 -0.323057280771E+03 0.43155E-04 -0.84366E-05 3675 0.238E-02 0.689E-02 RMM: 6 -0.323057262940E+03 0.17831E-04 -0.19977E-05 2539 0.132E-02 5787 T= 5947. E= 0.67570827E+03 F= 0.63321173E+03 E0= 0.66170514E+03 EK= 0.48425E+02 SP= -.59E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324586037261E+03 -0.15288E+01 -0.10570E-01 7720 0.232E+01 0.318E-01 RMM: 2 -0.324616086539E+03 -0.30049E-01 -0.11023E-01 5126 0.787E-01 0.176E+00 RMM: 3 -0.324594727515E+03 0.21359E-01 -0.15517E-02 5378 0.288E-01 0.302E-01 RMM: 4 -0.324594072743E+03 0.65477E-03 -0.17558E-03 4804 0.836E-02 0.101E-01 RMM: 5 -0.324594032321E+03 0.40422E-04 -0.19687E-04 3936 0.339E-02 0.931E-02 RMM: 6 -0.324593978617E+03 0.53704E-04 -0.35630E-05 2834 0.178E-02 0.547E-02 RMM: 7 -0.324593979220E+03 -0.60310E-06 -0.25124E-05 2554 0.156E-02 5788 T= 6145. E= 0.67569893E+03 F= 0.63167501E+03 E0= 0.66021813E+03 EK= 0.50042E+02 SP= -.60E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326308050566E+03 -0.17141E+01 -0.12036E-01 7896 0.236E+01 0.305E-01 RMM: 2 -0.326336776472E+03 -0.28726E-01 -0.13234E-01 4956 0.846E-01 0.159E+00 RMM: 3 -0.326319018534E+03 0.17758E-01 -0.17107E-02 5436 0.283E-01 0.302E-01 RMM: 4 -0.326318379906E+03 0.63863E-03 -0.17971E-03 4826 0.905E-02 0.130E-01 RMM: 5 -0.326318395275E+03 -0.15370E-04 -0.28449E-04 3928 0.407E-02 0.146E-01 RMM: 6 -0.326318250633E+03 0.14464E-03 -0.83436E-05 3604 0.262E-02 0.380E-02 RMM: 7 -0.326318250942E+03 -0.30872E-06 -0.22361E-05 2568 0.142E-02 5789 T= 6369. E= 0.67569035E+03 F= 0.62995074E+03 E0= 0.65854679E+03 EK= 0.51863E+02 SP= -.61E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328096868087E+03 -0.17786E+01 -0.12937E-01 7752 0.240E+01 0.234E-01 RMM: 2 -0.328118647424E+03 -0.21779E-01 -0.13566E-01 5008 0.841E-01 0.121E+00 RMM: 3 -0.328108508423E+03 0.10139E-01 -0.15346E-02 5649 0.247E-01 0.212E-01 RMM: 4 -0.328108098096E+03 0.41033E-03 -0.10895E-03 4809 0.706E-02 0.123E-01 RMM: 5 -0.328107997511E+03 0.10059E-03 -0.16641E-04 3896 0.337E-02 0.790E-02 RMM: 6 -0.328107959983E+03 0.37527E-04 -0.38766E-05 2959 0.184E-02 0.476E-02 RMM: 7 -0.328107956362E+03 0.36213E-05 -0.26535E-05 2569 0.155E-02 5790 T= 6601. E= 0.67568276E+03 F= 0.62816103E+03 E0= 0.65680997E+03 EK= 0.53759E+02 SP= -.63E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329849920690E+03 -0.17420E+01 -0.13063E-01 8048 0.244E+01 0.187E-01 RMM: 2 -0.329865227271E+03 -0.15307E-01 -0.12091E-01 5101 0.782E-01 0.825E-01 RMM: 3 -0.329860335402E+03 0.48919E-02 -0.12588E-02 5933 0.209E-01 0.183E-01 RMM: 4 -0.329859942696E+03 0.39271E-03 -0.66014E-04 4717 0.573E-02 0.101E-01 RMM: 5 -0.329859876218E+03 0.66478E-04 -0.10921E-04 3787 0.281E-02 0.687E-02 RMM: 6 -0.329859850726E+03 0.25492E-04 -0.26553E-05 2680 0.156E-02 0.467E-02 RMM: 7 -0.329859847286E+03 0.34399E-05 -0.24142E-05 2562 0.146E-02 5791 T= 6830. E= 0.67567597E+03 F= 0.62640914E+03 E0= 0.65510911E+03 EK= 0.55618E+02 SP= -.64E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331479412134E+03 -0.16196E+01 -0.14150E-01 8016 0.247E+01 0.194E-01 RMM: 2 -0.331496509746E+03 -0.17098E-01 -0.14212E-01 5067 0.853E-01 0.813E-01 RMM: 3 -0.331491789486E+03 0.47203E-02 -0.15214E-02 5990 0.219E-01 0.165E-01 RMM: 4 -0.331491409168E+03 0.38032E-03 -0.75691E-04 4775 0.637E-02 0.132E-01 RMM: 5 -0.331491287610E+03 0.12156E-03 -0.13692E-04 3883 0.306E-02 0.700E-02 RMM: 6 -0.331491261439E+03 0.26171E-04 -0.29162E-05 2777 0.163E-02 0.424E-02 RMM: 7 -0.331491254858E+03 0.65809E-05 -0.19850E-05 2515 0.133E-02 5792 T= 7042. E= 0.67567084E+03 F= 0.62477773E+03 E0= 0.65352472E+03 EK= 0.57348E+02 SP= -.65E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332931082169E+03 -0.14398E+01 -0.13917E-01 8072 0.250E+01 0.173E-01 RMM: 2 -0.332944384817E+03 -0.13303E-01 -0.11151E-01 5220 0.759E-01 0.724E-01 RMM: 3 -0.332940585466E+03 0.37994E-02 -0.10647E-02 6004 0.192E-01 0.154E-01 RMM: 4 -0.332940312046E+03 0.27342E-03 -0.53113E-04 4511 0.519E-02 0.115E-01 RMM: 5 -0.332940216109E+03 0.95938E-04 -0.95725E-05 3685 0.269E-02 0.673E-02 RMM: 6 -0.332940194272E+03 0.21837E-04 -0.26328E-05 2657 0.154E-02 0.515E-02 RMM: 7 -0.332940177559E+03 0.16713E-04 -0.39807E-05 2734 0.181E-02 5793 T= 7230. E= 0.67566705E+03 F= 0.62332881E+03 E0= 0.65211792E+03 EK= 0.58878E+02 SP= -.65E+01 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334150913537E+03 -0.12107E+01 -0.15140E-01 7840 0.252E+01 0.184E-01 RMM: 2 -0.334168052499E+03 -0.17139E-01 -0.14393E-01 4983 0.872E-01 0.794E-01 RMM: 3 -0.334163498290E+03 0.45542E-02 -0.15028E-02 6017 0.222E-01 0.172E-01 RMM: 4 -0.334163096346E+03 0.40194E-03 -0.72280E-04 4772 0.635E-02 0.108E-01 RMM: 5 -0.334163013842E+03 0.82504E-04 -0.11235E-04 3757 0.284E-02 0.649E-02 RMM: 6 -0.334162994726E+03 0.19116E-04 -0.24900E-05 2578 0.151E-02 5794 T= 7387. E= 0.67566413E+03 F= 0.62210599E+03 E0= 0.65092994E+03 EK= 0.60153E+02 SP= -.66E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335117298776E+03 -0.95428E+00 -0.13942E-01 7840 0.254E+01 0.200E-01 RMM: 2 -0.335134918517E+03 -0.17620E-01 -0.11433E-01 5033 0.778E-01 0.105E+00 RMM: 3 -0.335127124304E+03 0.77942E-02 -0.11875E-02 5585 0.224E-01 0.188E-01 RMM: 4 -0.335126833488E+03 0.29082E-03 -0.81349E-04 4818 0.603E-02 0.930E-02 RMM: 5 -0.335126760833E+03 0.72655E-04 -0.10114E-04 3855 0.267E-02 0.650E-02 RMM: 6 -0.335126745117E+03 0.15716E-04 -0.23128E-05 2556 0.140E-02 5795 T= 7507. E= 0.67566261E+03 F= 0.62114224E+03 E0= 0.64999362E+03 EK= 0.61132E+02 SP= -.66E+01 SK= 0.34E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.335797211487E+03 -0.67045E+00 -0.13917E-01 7576 0.255E+01 0.298E-01 RMM: 2 -0.335824837198E+03 -0.27626E-01 -0.11537E-01 4972 0.825E-01 0.164E+00 RMM: 3 -0.335806621965E+03 0.18215E-01 -0.15117E-02 5392 0.285E-01 0.306E-01 RMM: 4 -0.335805923255E+03 0.69871E-03 -0.15618E-03 4830 0.822E-02 0.850E-02 RMM: 5 -0.335805895378E+03 0.27876E-04 -0.17744E-04 4001 0.318E-02 0.903E-02 RMM: 6 -0.335805847524E+03 0.47855E-04 -0.32724E-05 2724 0.174E-02 0.502E-02 RMM: 7 -0.335805854439E+03 -0.69149E-05 -0.26085E-05 2572 0.159E-02 5796 T= 7587. E= 0.67566130E+03 F= 0.62046313E+03 E0= 0.64933462E+03 EK= 0.61783E+02 SP= -.66E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336170604798E+03 -0.36476E+00 -0.14482E-01 7440 0.256E+01 0.271E-01 RMM: 2 -0.336193128609E+03 -0.22524E-01 -0.12381E-01 4887 0.848E-01 0.134E+00 RMM: 3 -0.336181089689E+03 0.12039E-01 -0.15083E-02 5443 0.271E-01 0.303E-01 RMM: 4 -0.336180482673E+03 0.60702E-03 -0.15387E-03 4903 0.853E-02 0.122E-01 RMM: 5 -0.336180463889E+03 0.18784E-04 -0.23275E-04 3896 0.379E-02 0.122E-01 RMM: 6 -0.336180365409E+03 0.98479E-04 -0.59958E-05 3341 0.226E-02 0.362E-02 RMM: 7 -0.336180365349E+03 0.60363E-07 -0.19222E-05 2522 0.135E-02 5797 T= 7623. E= 0.67566109E+03 F= 0.62008862E+03 E0= 0.64897338E+03 EK= 0.62081E+02 SP= -.65E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336226430738E+03 -0.46065E-01 -0.14402E-01 7648 0.256E+01 0.208E-01 RMM: 2 -0.336245184227E+03 -0.18753E-01 -0.12881E-01 4898 0.853E-01 0.104E+00 RMM: 3 -0.336237661405E+03 0.75228E-02 -0.14424E-02 5686 0.241E-01 0.181E-01 RMM: 4 -0.336237343989E+03 0.31742E-03 -0.84964E-04 4788 0.645E-02 0.109E-01 RMM: 5 -0.336237266904E+03 0.77086E-04 -0.12884E-04 3822 0.306E-02 0.734E-02 RMM: 6 -0.336237236739E+03 0.30165E-04 -0.33583E-05 2852 0.173E-02 0.425E-02 RMM: 7 -0.336237239579E+03 -0.28405E-05 -0.22221E-05 2540 0.143E-02 5798 T= 7615. E= 0.67566151E+03 F= 0.62003175E+03 E0= 0.64892389E+03 EK= 0.62012E+02 SP= -.64E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335957192177E+03 0.28004E+00 -0.14832E-01 7632 0.256E+01 0.169E-01 RMM: 2 -0.335973762693E+03 -0.16571E-01 -0.14448E-01 4785 0.911E-01 0.718E-01 RMM: 3 -0.335970345112E+03 0.34176E-02 -0.17104E-02 6137 0.235E-01 0.147E-01 RMM: 4 -0.335969963820E+03 0.38129E-03 -0.72022E-04 4700 0.673E-02 0.118E-01 RMM: 5 -0.335969876686E+03 0.87134E-04 -0.11511E-04 3760 0.322E-02 0.611E-02 RMM: 6 -0.335969859970E+03 0.16716E-04 -0.28414E-05 2629 0.158E-02 5799 T= 7561. E= 0.67566328E+03 F= 0.62029913E+03 E0= 0.64919535E+03 EK= 0.61571E+02 SP= -.63E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335371638501E+03 0.59824E+00 -0.15458E-01 7576 0.254E+01 0.197E-01 RMM: 2 -0.335393971710E+03 -0.22333E-01 -0.16995E-01 4807 0.969E-01 0.996E-01 RMM: 3 -0.335386964958E+03 0.70068E-02 -0.19743E-02 5839 0.262E-01 0.174E-01 RMM: 4 -0.335386518309E+03 0.44665E-03 -0.93021E-04 4861 0.696E-02 0.109E-01 RMM: 5 -0.335386441023E+03 0.77286E-04 -0.13978E-04 4067 0.325E-02 0.687E-02 RMM: 6 -0.335386418531E+03 0.22492E-04 -0.28910E-05 2579 0.160E-02 0.526E-02 RMM: 7 -0.335386418028E+03 0.50281E-06 -0.33449E-05 2665 0.176E-02 5800 T= 7462. E= 0.67566634E+03 F= 0.62088257E+03 E0= 0.64978098E+03 EK= 0.60769E+02 SP= -.61E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334502039265E+03 0.88438E+00 -0.15048E-01 7728 0.252E+01 0.237E-01 RMM: 2 -0.334523446806E+03 -0.21408E-01 -0.13529E-01 4874 0.900E-01 0.120E+00 RMM: 3 -0.334513709734E+03 0.97371E-02 -0.15816E-02 5704 0.256E-01 0.201E-01 RMM: 4 -0.334513356018E+03 0.35372E-03 -0.11437E-03 4825 0.779E-02 0.133E-01 RMM: 5 -0.334513289200E+03 0.66818E-04 -0.17166E-04 3903 0.324E-02 0.101E-01 RMM: 6 -0.334513224819E+03 0.64381E-04 -0.42423E-05 3060 0.196E-02 0.336E-02 RMM: 7 -0.334513228544E+03 -0.37254E-05 -0.20920E-05 2515 0.142E-02 5801 T= 7324. E= 0.67567055E+03 F= 0.62175576E+03 E0= 0.65065544E+03 EK= 0.59641E+02 SP= -.58E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333382037535E+03 0.11312E+01 -0.16118E-01 7744 0.249E+01 0.191E-01 RMM: 2 -0.333403567195E+03 -0.21530E-01 -0.16956E-01 4793 0.976E-01 0.945E-01 RMM: 3 -0.333397185807E+03 0.63814E-02 -0.19376E-02 6026 0.260E-01 0.157E-01 RMM: 4 -0.333396784199E+03 0.40161E-03 -0.84195E-04 4769 0.698E-02 0.122E-01 RMM: 5 -0.333396680507E+03 0.10369E-03 -0.13386E-04 3891 0.325E-02 0.629E-02 RMM: 6 -0.333396663393E+03 0.17113E-04 -0.30634E-05 2659 0.164E-02 5802 T= 7152. E= 0.67567628E+03 F= 0.62287233E+03 E0= 0.65177237E+03 EK= 0.58242E+02 SP= -.56E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332090812309E+03 0.13059E+01 -0.14115E-01 7808 0.245E+01 0.218E-01 RMM: 2 -0.332113001779E+03 -0.22189E-01 -0.13234E-01 4955 0.859E-01 0.123E+00 RMM: 3 -0.332102142220E+03 0.10860E-01 -0.14528E-02 5543 0.259E-01 0.179E-01 RMM: 4 -0.332101880733E+03 0.26149E-03 -0.97380E-04 4943 0.649E-02 0.928E-02 RMM: 5 -0.332101817816E+03 0.62917E-04 -0.11511E-04 4167 0.291E-02 0.700E-02 RMM: 6 -0.332101797298E+03 0.20518E-04 -0.27226E-05 2573 0.156E-02 0.583E-02 RMM: 7 -0.332101806298E+03 -0.89999E-05 -0.58751E-05 3352 0.210E-02 5803 T= 6956. E= 0.67568311E+03 F= 0.62416718E+03 E0= 0.65306578E+03 EK= 0.56645E+02 SP= -.53E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330699238292E+03 0.14026E+01 -0.13874E-01 7760 0.242E+01 0.257E-01 RMM: 2 -0.330720865080E+03 -0.21627E-01 -0.13861E-01 4798 0.902E-01 0.120E+00 RMM: 3 -0.330710950958E+03 0.99141E-02 -0.16521E-02 5602 0.278E-01 0.266E-01 RMM: 4 -0.330710435855E+03 0.51510E-03 -0.13773E-03 4981 0.844E-02 0.128E-01 RMM: 5 -0.330710398375E+03 0.37480E-04 -0.21169E-04 3903 0.366E-02 0.113E-01 RMM: 6 -0.330710314266E+03 0.84109E-04 -0.50812E-05 3218 0.214E-02 0.345E-02 RMM: 7 -0.330710312350E+03 0.19164E-05 -0.16669E-05 2504 0.124E-02 5804 T= 6747. E= 0.67569022E+03 F= 0.62555868E+03 E0= 0.65445248E+03 EK= 0.54942E+02 SP= -.50E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329298775693E+03 0.14115E+01 -0.13397E-01 7976 0.238E+01 0.209E-01 RMM: 2 -0.329319543813E+03 -0.20768E-01 -0.13683E-01 4958 0.868E-01 0.113E+00 RMM: 3 -0.329310448608E+03 0.90952E-02 -0.14824E-02 5817 0.252E-01 0.173E-01 RMM: 4 -0.329310151594E+03 0.29701E-03 -0.81723E-04 4774 0.646E-02 0.108E-01 RMM: 5 -0.329310065930E+03 0.85664E-04 -0.11442E-04 3846 0.295E-02 0.699E-02 RMM: 6 -0.329310041249E+03 0.24682E-04 -0.28587E-05 2576 0.158E-02 0.500E-02 RMM: 7 -0.329310036011E+03 0.52378E-05 -0.38585E-05 2754 0.175E-02 5805 T= 6537. E= 0.67569693E+03 F= 0.62695895E+03 E0= 0.65584273E+03 EK= 0.53231E+02 SP= -.47E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327974827047E+03 0.13352E+01 -0.13641E-01 8064 0.234E+01 0.169E-01 RMM: 2 -0.327991647053E+03 -0.16820E-01 -0.14306E-01 4888 0.888E-01 0.730E-01 RMM: 3 -0.327987404510E+03 0.42425E-02 -0.15896E-02 5944 0.251E-01 0.161E-01 RMM: 4 -0.327987108487E+03 0.29602E-03 -0.73268E-04 4754 0.631E-02 0.103E-01 RMM: 5 -0.327987045846E+03 0.62641E-04 -0.10775E-04 3727 0.315E-02 0.642E-02 RMM: 6 -0.327987024027E+03 0.21819E-04 -0.28012E-05 2609 0.162E-02 0.406E-02 RMM: 7 -0.327987024957E+03 -0.93036E-06 -0.22060E-05 2530 0.145E-02 5806 T= 6337. E= 0.67570227E+03 F= 0.62828196E+03 E0= 0.65715012E+03 EK= 0.51603E+02 SP= -.44E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326803034250E+03 0.11840E+01 -0.14328E-01 7944 0.230E+01 0.170E-01 RMM: 2 -0.326821311894E+03 -0.18278E-01 -0.15815E-01 4856 0.932E-01 0.739E-01 RMM: 3 -0.326816943996E+03 0.43679E-02 -0.17467E-02 6165 0.253E-01 0.149E-01 RMM: 4 -0.326816617085E+03 0.32691E-03 -0.73794E-04 4744 0.668E-02 0.124E-01 RMM: 5 -0.326816510136E+03 0.10695E-03 -0.11349E-04 3741 0.323E-02 0.638E-02 RMM: 6 -0.326816490299E+03 0.19837E-04 -0.27737E-05 2569 0.158E-02 5807 T= 6157. E= 0.67570698E+03 F= 0.62945250E+03 E0= 0.65829907E+03 EK= 0.50143E+02 SP= -.41E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325847091535E+03 0.96942E+00 -0.13279E-01 7984 0.227E+01 0.162E-01 RMM: 2 -0.325863773991E+03 -0.16682E-01 -0.12952E-01 5135 0.831E-01 0.816E-01 RMM: 3 -0.325858272668E+03 0.55013E-02 -0.13284E-02 5686 0.244E-01 0.178E-01 RMM: 4 -0.325857995500E+03 0.27717E-03 -0.70173E-04 4821 0.585E-02 0.835E-02 RMM: 5 -0.325857945539E+03 0.49961E-04 -0.80400E-05 3615 0.271E-02 0.693E-02 RMM: 6 -0.325857930122E+03 0.15417E-04 -0.25045E-05 2549 0.153E-02 5808 T= 6006. E= 0.67571038E+03 F= 0.63041106E+03 E0= 0.65923116E+03 EK= 0.48913E+02 SP= -.38E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325143595736E+03 0.71435E+00 -0.12376E-01 7944 0.225E+01 0.371E-01 RMM: 2 -0.325185833705E+03 -0.42238E-01 -0.12804E-01 4748 0.885E-01 0.215E+00 RMM: 3 -0.325153640953E+03 0.32193E-01 -0.21110E-02 5384 0.356E-01 0.368E-01 RMM: 4 -0.325152669756E+03 0.97120E-03 -0.22262E-03 5254 0.968E-02 0.946E-02 RMM: 5 -0.325152644997E+03 0.24759E-04 -0.22133E-04 3998 0.315E-02 0.104E-01 RMM: 6 -0.325152579892E+03 0.65105E-04 -0.37100E-05 2950 0.188E-02 0.528E-02 RMM: 7 -0.325152577812E+03 0.20804E-05 -0.20702E-05 2542 0.134E-02 5809 T= 5889. E= 0.67571237E+03 F= 0.63111641E+03 E0= 0.65990669E+03 EK= 0.47958E+02 SP= -.35E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324715021763E+03 0.43756E+00 -0.11971E-01 7928 0.224E+01 0.351E-01 RMM: 2 -0.324754910490E+03 -0.39889E-01 -0.13185E-01 4753 0.872E-01 0.207E+00 RMM: 3 -0.324725611723E+03 0.29299E-01 -0.20111E-02 5390 0.342E-01 0.359E-01 RMM: 4 -0.324724765815E+03 0.84591E-03 -0.23230E-03 5267 0.100E-01 0.144E-01 RMM: 5 -0.324724759119E+03 0.66955E-05 -0.31827E-04 3929 0.424E-02 0.146E-01 RMM: 6 -0.324724611813E+03 0.14731E-03 -0.91630E-05 3619 0.273E-02 0.418E-02 RMM: 7 -0.324724605552E+03 0.62610E-05 -0.16937E-05 2534 0.118E-02 5810 T= 5809. E= 0.67571297E+03 F= 0.63154438E+03 E0= 0.66030483E+03 EK= 0.47305E+02 SP= -.32E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324568274543E+03 0.15634E+00 -0.11749E-01 7800 0.223E+01 0.235E-01 RMM: 2 -0.324590514655E+03 -0.22240E-01 -0.13555E-01 4758 0.878E-01 0.122E+00 RMM: 3 -0.324579750346E+03 0.10764E-01 -0.16448E-02 5515 0.280E-01 0.207E-01 RMM: 4 -0.324579400595E+03 0.34975E-03 -0.12255E-03 5048 0.709E-02 0.965E-02 RMM: 5 -0.324579339160E+03 0.61435E-04 -0.13728E-04 3939 0.320E-02 0.793E-02 RMM: 6 -0.324579301861E+03 0.37299E-04 -0.32143E-05 2665 0.171E-02 0.484E-02 RMM: 7 -0.324579303374E+03 -0.15125E-05 -0.24544E-05 2594 0.146E-02 5811 T= 5766. E= 0.67571198E+03 F= 0.63168969E+03 E0= 0.66042275E+03 EK= 0.46958E+02 SP= -.30E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324691294709E+03 -0.11199E+00 -0.11395E-01 7808 0.223E+01 0.215E-01 RMM: 2 -0.324712756540E+03 -0.21462E-01 -0.13222E-01 4751 0.867E-01 0.118E+00 RMM: 3 -0.324702771844E+03 0.99847E-02 -0.15690E-02 5640 0.257E-01 0.187E-01 RMM: 4 -0.324702444208E+03 0.32764E-03 -0.10244E-03 4843 0.698E-02 0.101E-01 RMM: 5 -0.324702403450E+03 0.40758E-04 -0.13902E-04 3998 0.307E-02 0.775E-02 RMM: 6 -0.324702367186E+03 0.36264E-04 -0.29973E-05 2694 0.163E-02 0.375E-02 RMM: 7 -0.324702371018E+03 -0.38319E-05 -0.18602E-05 2511 0.139E-02 5812 T= 5760. E= 0.67570989E+03 F= 0.63156662E+03 E0= 0.66027731E+03 EK= 0.46905E+02 SP= -.28E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325047817299E+03 -0.34545E+00 -0.12624E-01 7856 0.223E+01 0.168E-01 RMM: 2 -0.325065080208E+03 -0.17263E-01 -0.15391E-01 4709 0.933E-01 0.673E-01 RMM: 3 -0.325061425414E+03 0.36548E-02 -0.17284E-02 6089 0.241E-01 0.130E-01 RMM: 4 -0.325061103899E+03 0.32151E-03 -0.74760E-04 4832 0.653E-02 0.131E-01 RMM: 5 -0.325061003071E+03 0.10083E-03 -0.11912E-04 3819 0.329E-02 0.624E-02 RMM: 6 -0.325060981227E+03 0.21844E-04 -0.29585E-05 2657 0.161E-02 0.402E-02 RMM: 7 -0.325060978639E+03 0.25877E-05 -0.25951E-05 2535 0.158E-02 5813 T= 5785. E= 0.67570631E+03 F= 0.63120801E+03 E0= 0.65990316E+03 EK= 0.47110E+02 SP= -.27E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325591465111E+03 -0.53048E+00 -0.11077E-01 7808 0.223E+01 0.185E-01 RMM: 2 -0.325605942139E+03 -0.14477E-01 -0.11303E-01 4860 0.788E-01 0.819E-01 RMM: 3 -0.325601179275E+03 0.47629E-02 -0.12853E-02 5951 0.214E-01 0.155E-01 RMM: 4 -0.325600873929E+03 0.30535E-03 -0.67090E-04 4729 0.601E-02 0.112E-01 RMM: 5 -0.325600809621E+03 0.64308E-04 -0.10337E-04 3701 0.286E-02 0.712E-02 RMM: 6 -0.325600781692E+03 0.27930E-04 -0.26824E-05 2588 0.157E-02 0.401E-02 RMM: 7 -0.325600785301E+03 -0.36093E-05 -0.23715E-05 2538 0.152E-02 5814 T= 5835. E= 0.67570133E+03 F= 0.63066820E+03 E0= 0.65935583E+03 EK= 0.47519E+02 SP= -.25E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326240153491E+03 -0.63937E+00 -0.11354E-01 8168 0.223E+01 0.187E-01 RMM: 2 -0.326254445898E+03 -0.14292E-01 -0.11107E-01 5072 0.750E-01 0.827E-01 RMM: 3 -0.326249489224E+03 0.49567E-02 -0.10878E-02 5977 0.199E-01 0.165E-01 RMM: 4 -0.326249204564E+03 0.28466E-03 -0.63960E-04 4673 0.580E-02 0.118E-01 RMM: 5 -0.326249121183E+03 0.83381E-04 -0.98349E-05 3654 0.272E-02 0.655E-02 RMM: 6 -0.326249100968E+03 0.20215E-04 -0.25587E-05 2641 0.155E-02 0.451E-02 RMM: 7 -0.326249101748E+03 -0.77937E-06 -0.28367E-05 2589 0.159E-02 5815 T= 5901. E= 0.67569525E+03 F= 0.63001989E+03 E0= 0.65870747E+03 EK= 0.48057E+02 SP= -.24E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326910468063E+03 -0.66137E+00 -0.12360E-01 8488 0.224E+01 0.179E-01 RMM: 2 -0.326925032429E+03 -0.14564E-01 -0.12354E-01 5124 0.766E-01 0.735E-01 RMM: 3 -0.326920865413E+03 0.41670E-02 -0.11155E-02 6082 0.200E-01 0.141E-01 RMM: 4 -0.326920624336E+03 0.24108E-03 -0.60372E-04 4664 0.552E-02 0.125E-01 RMM: 5 -0.326920527269E+03 0.97067E-04 -0.91507E-05 3623 0.264E-02 0.674E-02 RMM: 6 -0.326920508762E+03 0.18507E-04 -0.24179E-05 2581 0.149E-02 5816 T= 5973. E= 0.67568890E+03 F= 0.62934848E+03 E0= 0.65804234E+03 EK= 0.48638E+02 SP= -.23E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327512975011E+03 -0.59245E+00 -0.13807E-01 8936 0.225E+01 0.226E-01 RMM: 2 -0.327534707282E+03 -0.21732E-01 -0.13849E-01 5313 0.774E-01 0.118E+00 RMM: 3 -0.327524359755E+03 0.10348E-01 -0.11982E-02 5545 0.227E-01 0.237E-01 RMM: 4 -0.327523916845E+03 0.44291E-03 -0.10392E-03 4924 0.646E-02 0.990E-02 RMM: 5 -0.327523858903E+03 0.57942E-04 -0.10798E-04 3910 0.256E-02 0.805E-02 RMM: 6 -0.327523839549E+03 0.19354E-04 -0.20052E-05 2557 0.131E-02 5817 T= 6038. E= 0.67568300E+03 F= 0.62874515E+03 E0= 0.65745049E+03 EK= 0.49168E+02 SP= -.22E+01 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327961806766E+03 -0.43795E+00 -0.15973E-01 9016 0.226E+01 0.379E-01 RMM: 2 -0.328007078444E+03 -0.45272E-01 -0.16600E-01 5254 0.869E-01 0.215E+00 RMM: 3 -0.327974610405E+03 0.32468E-01 -0.20483E-02 5387 0.332E-01 0.360E-01 RMM: 4 -0.327973641259E+03 0.96915E-03 -0.23918E-03 5018 0.948E-02 0.110E-01 RMM: 5 -0.327973574981E+03 0.66278E-04 -0.25403E-04 4880 0.314E-02 0.993E-02 RMM: 6 -0.327973532037E+03 0.42943E-04 -0.23801E-05 2586 0.148E-02 0.801E-02 RMM: 7 -0.327973553168E+03 -0.21131E-04 -0.59121E-05 3318 0.216E-02 0.108E-01 RMM: 8 -0.327973470190E+03 0.82978E-04 -0.17291E-04 3914 0.255E-02 0.524E-02 RMM: 9 -0.327973457820E+03 0.12370E-04 -0.26939E-05 2651 0.141E-02 5818 T= 6086. E= 0.67567793E+03 F= 0.62829553E+03 E0= 0.65701651E+03 EK= 0.49562E+02 SP= -.22E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328185249732E+03 -0.21178E+00 -0.19644E-01 9016 0.227E+01 0.319E-01 RMM: 2 -0.328220216277E+03 -0.34967E-01 -0.19276E-01 5332 0.860E-01 0.161E+00 RMM: 3 -0.328200634109E+03 0.19582E-01 -0.17909E-02 5427 0.288E-01 0.302E-01 RMM: 4 -0.328200266774E+03 0.36733E-03 -0.23011E-03 4941 0.104E-01 0.230E-01 RMM: 5 -0.328200103711E+03 0.16306E-03 -0.38061E-04 3964 0.469E-02 0.182E-01 RMM: 6 -0.328199878121E+03 0.22559E-03 -0.12727E-04 3858 0.315E-02 0.384E-02 RMM: 7 -0.328199903085E+03 -0.24964E-04 -0.37462E-05 2999 0.168E-02 0.757E-02 RMM: 8 -0.328199871527E+03 0.31558E-04 -0.29812E-05 2640 0.178E-02 0.274E-02 RMM: 9 -0.328199870269E+03 0.12586E-05 -0.91522E-06 2469 0.860E-03 5819 T= 6109. E= 0.67567492E+03 F= 0.62806912E+03 E0= 0.65680684E+03 EK= 0.49749E+02 SP= -.21E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328141076027E+03 0.58796E-01 -0.24946E-01 9040 0.228E+01 0.233E-01 RMM: 2 -0.328169467024E+03 -0.28391E-01 -0.21260E-01 5416 0.919E-01 0.116E+00 RMM: 3 -0.328158923838E+03 0.10543E-01 -0.15948E-02 5780 0.248E-01 0.217E-01 RMM: 4 -0.328158469345E+03 0.45449E-03 -0.11777E-03 5184 0.670E-02 0.966E-02 RMM: 5 -0.328158407226E+03 0.62120E-04 -0.12808E-04 4178 0.260E-02 0.786E-02 RMM: 6 -0.328158384261E+03 0.22965E-04 -0.21038E-05 2561 0.135E-02 0.649E-02 RMM: 7 -0.328158379263E+03 0.49978E-05 -0.44047E-05 2986 0.182E-02 5820 T= 6101. E= 0.67567325E+03 F= 0.62811061E+03 E0= 0.65686428E+03 EK= 0.49683E+02 SP= -.21E+01 SK= 0.53E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327812171767E+03 0.34621E+00 -0.28817E-01 9048 0.228E+01 0.159E-01 RMM: 2 -0.327836857581E+03 -0.24686E-01 -0.21962E-01 5949 0.898E-01 0.736E-01 RMM: 3 -0.327831424423E+03 0.54332E-02 -0.12837E-02 5769 0.211E-01 0.157E-01 RMM: 4 -0.327831128942E+03 0.29548E-03 -0.74840E-04 4776 0.554E-02 0.106E-01 RMM: 5 -0.327831061314E+03 0.67628E-04 -0.86385E-05 3558 0.240E-02 0.723E-02 RMM: 6 -0.327831052893E+03 0.84207E-05 -0.24007E-05 2566 0.146E-02 5821 T= 6060. E= 0.67567275E+03 F= 0.62843794E+03 E0= 0.65720645E+03 EK= 0.49347E+02 SP= -.21E+01 SK= 0.11E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.327206720143E+03 0.62434E+00 -0.33774E-01 8960 0.228E+01 0.253E-01 RMM: 2 -0.327244895985E+03 -0.38176E-01 -0.23857E-01 5830 0.934E-01 0.152E+00 RMM: 3 -0.327227204572E+03 0.17691E-01 -0.15014E-02 5487 0.264E-01 0.244E-01 RMM: 4 -0.327226790837E+03 0.41373E-03 -0.14875E-03 5043 0.732E-02 0.112E-01 RMM: 5 -0.327226723514E+03 0.67323E-04 -0.15266E-04 4477 0.278E-02 0.880E-02 RMM: 6 -0.327226699658E+03 0.23856E-04 -0.27196E-05 2645 0.155E-02 0.746E-02 RMM: 7 -0.327226733291E+03 -0.33633E-04 -0.73070E-05 3599 0.227E-02 0.105E-01 RMM: 8 -0.327226665432E+03 0.67859E-04 -0.11018E-04 3889 0.230E-02 0.382E-02 RMM: 9 -0.327226660258E+03 0.51741E-05 -0.18386E-05 2556 0.118E-02 5822 T= 5987. E= 0.67567467E+03 F= 0.62904233E+03 E0= 0.65782346E+03 EK= 0.48752E+02 SP= -.21E+01 SK= 0.65E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326357932230E+03 0.86873E+00 -0.37549E-01 8904 0.228E+01 0.335E-01 RMM: 2 -0.326402552814E+03 -0.44621E-01 -0.25455E-01 5297 0.999E-01 0.178E+00 RMM: 3 -0.326379239612E+03 0.23313E-01 -0.18653E-02 5535 0.294E-01 0.293E-01 RMM: 4 -0.326378688538E+03 0.55107E-03 -0.21244E-03 4950 0.973E-02 0.163E-01 RMM: 5 -0.326378679553E+03 0.89855E-05 -0.33864E-04 3971 0.414E-02 0.162E-01 RMM: 6 -0.326378513957E+03 0.16560E-03 -0.10354E-04 3691 0.284E-02 0.477E-02 RMM: 7 -0.326378526728E+03 -0.12771E-04 -0.29916E-05 2763 0.158E-02 5823 T= 5886. E= 0.67567829E+03 F= 0.62989046E+03 E0= 0.65868035E+03 EK= 0.47933E+02 SP= -.21E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325314413309E+03 0.10641E+01 -0.39392E-01 8936 0.227E+01 0.225E-01 RMM: 2 -0.325345986883E+03 -0.31574E-01 -0.23993E-01 5881 0.957E-01 0.113E+00 RMM: 3 -0.325335620300E+03 0.10367E-01 -0.14330E-02 5651 0.246E-01 0.211E-01 RMM: 4 -0.325335242217E+03 0.37808E-03 -0.11159E-03 4862 0.681E-02 0.107E-01 RMM: 5 -0.325335203521E+03 0.38696E-04 -0.15107E-04 4250 0.289E-02 0.907E-02 RMM: 6 -0.325335160339E+03 0.43182E-04 -0.29943E-05 2786 0.163E-02 0.497E-02 RMM: 7 -0.325335178847E+03 -0.18508E-04 -0.33628E-05 2888 0.172E-02 5824 T= 5764. E= 0.67568216E+03 F= 0.63093381E+03 E0= 0.65972855E+03 EK= 0.46940E+02 SP= -.22E+01 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324133490712E+03 0.12017E+01 -0.38785E-01 9000 0.226E+01 0.238E-01 RMM: 2 -0.324164834211E+03 -0.31343E-01 -0.23897E-01 5541 0.984E-01 0.115E+00 RMM: 3 -0.324154541531E+03 0.10293E-01 -0.16843E-02 5700 0.259E-01 0.230E-01 RMM: 4 -0.324154037177E+03 0.50435E-03 -0.12318E-03 4900 0.727E-02 0.103E-01 RMM: 5 -0.324154004564E+03 0.32613E-04 -0.18392E-04 4188 0.319E-02 0.937E-02 RMM: 6 -0.324153952924E+03 0.51641E-04 -0.39663E-05 3007 0.182E-02 0.500E-02 RMM: 7 -0.324153967616E+03 -0.14692E-04 -0.30870E-05 2704 0.170E-02 5825 T= 5628. E= 0.67568587E+03 F= 0.63211502E+03 E0= 0.66090874E+03 EK= 0.45832E+02 SP= -.23E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322875182169E+03 0.12788E+01 -0.35907E-01 8976 0.225E+01 0.216E-01 RMM: 2 -0.322903834370E+03 -0.28652E-01 -0.23522E-01 5503 0.101E+00 0.968E-01 RMM: 3 -0.322896322484E+03 0.75119E-02 -0.17940E-02 5789 0.259E-01 0.206E-01 RMM: 4 -0.322895881955E+03 0.44053E-03 -0.11196E-03 4954 0.699E-02 0.116E-01 RMM: 5 -0.322895828376E+03 0.53580E-04 -0.16839E-04 4067 0.318E-02 0.937E-02 RMM: 6 -0.322895780385E+03 0.47990E-04 -0.44984E-05 3100 0.193E-02 0.508E-02 RMM: 7 -0.322895809285E+03 -0.28900E-04 -0.40634E-05 2954 0.187E-02 0.859E-02 RMM: 8 -0.322895766897E+03 0.42388E-04 -0.45958E-05 2916 0.189E-02 0.341E-02 RMM: 9 -0.322895763812E+03 0.30848E-05 -0.16456E-05 2488 0.117E-02 5826 T= 5486. E= 0.67568950E+03 F= 0.63337323E+03 E0= 0.66216061E+03 EK= 0.44673E+02 SP= -.24E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321604567501E+03 0.12912E+01 -0.32423E-01 8968 0.224E+01 0.206E-01 RMM: 2 -0.321631548909E+03 -0.26981E-01 -0.22450E-01 5239 0.101E+00 0.921E-01 RMM: 3 -0.321624538270E+03 0.70106E-02 -0.18846E-02 5845 0.259E-01 0.164E-01 RMM: 4 -0.321624220977E+03 0.31729E-03 -0.11054E-03 4809 0.727E-02 0.155E-01 RMM: 5 -0.321624079133E+03 0.14184E-03 -0.18153E-04 3969 0.331E-02 0.832E-02 RMM: 6 -0.321624042970E+03 0.36163E-04 -0.43472E-05 3072 0.191E-02 0.474E-02 RMM: 7 -0.321624056775E+03 -0.13805E-04 -0.33980E-05 2737 0.178E-02 5827 T= 5346. E= 0.67569416E+03 F= 0.63464493E+03 E0= 0.66342008E+03 EK= 0.43532E+02 SP= -.25E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320405116452E+03 0.12189E+01 -0.27350E-01 8960 0.223E+01 0.193E-01 RMM: 2 -0.320427469696E+03 -0.22353E-01 -0.18930E-01 5358 0.929E-01 0.824E-01 RMM: 3 -0.320421906284E+03 0.55634E-02 -0.15462E-02 5831 0.241E-01 0.188E-01 RMM: 4 -0.320421524446E+03 0.38184E-03 -0.91997E-04 5034 0.632E-02 0.108E-01 RMM: 5 -0.320421461383E+03 0.63063E-04 -0.12216E-04 3937 0.279E-02 0.818E-02 RMM: 6 -0.320421440967E+03 0.20415E-04 -0.32999E-05 2778 0.171E-02 0.727E-02 RMM: 7 -0.320421472012E+03 -0.31045E-04 -0.81455E-05 3660 0.228E-02 0.107E-01 RMM: 8 -0.320421406794E+03 0.65218E-04 -0.81577E-05 3755 0.232E-02 0.432E-02 RMM: 9 -0.320421397942E+03 0.88524E-05 -0.18103E-05 2560 0.122E-02 5828 T= 5218. E= 0.67570167E+03 F= 0.63584759E+03 E0= 0.66460395E+03 EK= 0.42496E+02 SP= -.27E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319393996479E+03 0.10274E+01 -0.26076E-01 8944 0.221E+01 0.218E-01 RMM: 2 -0.319419956072E+03 -0.25960E-01 -0.21076E-01 5115 0.103E+00 0.953E-01 RMM: 3 -0.319412584917E+03 0.73712E-02 -0.19583E-02 5856 0.268E-01 0.185E-01 RMM: 4 -0.319412242884E+03 0.34203E-03 -0.11873E-03 4909 0.764E-02 0.162E-01 RMM: 5 -0.319412071609E+03 0.17128E-03 -0.18416E-04 3948 0.333E-02 0.815E-02 RMM: 6 -0.319412038016E+03 0.33593E-04 -0.38022E-05 2963 0.182E-02 0.547E-02 RMM: 7 -0.319412043094E+03 -0.50772E-05 -0.29111E-05 2637 0.158E-02 5829 T= 5120. E= 0.67571230E+03 F= 0.63685695E+03 E0= 0.66558962E+03 EK= 0.41692E+02 SP= -.30E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318744408420E+03 0.66763E+00 -0.19419E-01 9024 0.218E+01 0.236E-01 RMM: 2 -0.318767902135E+03 -0.23494E-01 -0.16779E-01 5120 0.931E-01 0.109E+00 RMM: 3 -0.318758969598E+03 0.89325E-02 -0.16459E-02 5667 0.261E-01 0.254E-01 RMM: 4 -0.318758425177E+03 0.54442E-03 -0.12053E-03 4984 0.716E-02 0.111E-01 RMM: 5 -0.318758375964E+03 0.49213E-04 -0.14930E-04 4259 0.289E-02 0.928E-02 RMM: 6 -0.318758351899E+03 0.24065E-04 -0.28024E-05 2607 0.158E-02 0.806E-02 RMM: 7 -0.318758393575E+03 -0.41676E-04 -0.91258E-05 3709 0.240E-02 0.118E-01 RMM: 8 -0.318758322092E+03 0.71483E-04 -0.11248E-04 3886 0.261E-02 0.545E-02 RMM: 9 -0.318758306892E+03 0.15200E-04 -0.24803E-05 2648 0.145E-02 5830 T= 5069. E= 0.67572229E+03 F= 0.63751068E+03 E0= 0.66621490E+03 EK= 0.41282E+02 SP= -.33E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318598343910E+03 0.15998E+00 -0.13318E-01 8584 0.216E+01 0.282E-01 RMM: 2 -0.318619288193E+03 -0.20944E-01 -0.13055E-01 5074 0.820E-01 0.117E+00 RMM: 3 -0.318609279403E+03 0.10009E-01 -0.14700E-02 5567 0.253E-01 0.281E-01 RMM: 4 -0.318608760993E+03 0.51841E-03 -0.15281E-03 4761 0.842E-02 0.162E-01 RMM: 5 -0.318608655984E+03 0.10501E-03 -0.26239E-04 3929 0.386E-02 0.124E-01 RMM: 6 -0.318608552381E+03 0.10360E-03 -0.70295E-05 3478 0.253E-02 0.399E-02 RMM: 7 -0.318608551326E+03 0.10549E-05 -0.16548E-05 2524 0.122E-02 5831 T= 5085. E= 0.67572595E+03 F= 0.63766044E+03 E0= 0.66633407E+03 EK= 0.41411E+02 SP= -.36E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319009662577E+03 -0.40111E+00 -0.10417E-01 7808 0.215E+01 0.201E-01 RMM: 2 -0.319025160611E+03 -0.15498E-01 -0.10428E-01 4972 0.744E-01 0.972E-01 RMM: 3 -0.319018517920E+03 0.66427E-02 -0.11634E-02 5658 0.217E-01 0.206E-01 RMM: 4 -0.319018135157E+03 0.38276E-03 -0.81384E-04 5029 0.582E-02 0.761E-02 RMM: 5 -0.319018115567E+03 0.19590E-04 -0.94659E-05 3749 0.246E-02 5832 T= 5174. E= 0.67572073E+03 F= 0.63725087E+03 E0= 0.66589237E+03 EK= 0.42136E+02 SP= -.40E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319895027102E+03 -0.87689E+00 -0.11397E-01 8344 0.216E+01 0.161E-01 RMM: 2 -0.319908481695E+03 -0.13455E-01 -0.10894E-01 5240 0.715E-01 0.720E-01 RMM: 3 -0.319904337792E+03 0.41439E-02 -0.10246E-02 5851 0.184E-01 0.150E-01 RMM: 4 -0.319904079942E+03 0.25785E-03 -0.50725E-04 4542 0.493E-02 0.107E-01 RMM: 5 -0.319904013990E+03 0.65952E-04 -0.73035E-05 3520 0.236E-02 0.805E-02 RMM: 6 -0.319904026399E+03 -0.12409E-04 -0.61849E-05 3415 0.218E-02 5833 T= 5327. E= 0.67570820E+03 F= 0.63636496E+03 E0= 0.66497372E+03 EK= 0.43380E+02 SP= -.45E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321066272528E+03 -0.11623E+01 -0.14817E-01 9016 0.219E+01 0.371E-01 RMM: 2 -0.321113577662E+03 -0.47305E-01 -0.14376E-01 5274 0.827E-01 0.225E+00 RMM: 3 -0.321076973648E+03 0.36604E-01 -0.19714E-02 5360 0.331E-01 0.278E-01 RMM: 4 -0.321076505296E+03 0.46835E-03 -0.23153E-03 5119 0.901E-02 0.155E-01 RMM: 5 -0.321076399118E+03 0.10618E-03 -0.24693E-04 3931 0.395E-02 0.122E-01 RMM: 6 -0.321076324748E+03 0.74371E-04 -0.67378E-05 3433 0.234E-02 0.710E-02 RMM: 7 -0.321076364574E+03 -0.39826E-04 -0.72422E-05 3579 0.237E-02 0.981E-02 RMM: 8 -0.321076312343E+03 0.52230E-04 -0.58104E-05 3234 0.209E-02 0.417E-02 RMM: 9 -0.321076313273E+03 -0.92993E-06 -0.23895E-05 2633 0.146E-02 5834 T= 5521. E= 0.67569435E+03 F= 0.63519268E+03 E0= 0.66376958E+03 EK= 0.44957E+02 SP= -.50E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322308590635E+03 -0.12323E+01 -0.18860E-01 9056 0.223E+01 0.388E-01 RMM: 2 -0.322351161823E+03 -0.42571E-01 -0.19081E-01 5386 0.959E-01 0.197E+00 RMM: 3 -0.322323965254E+03 0.27197E-01 -0.21656E-02 5383 0.331E-01 0.406E-01 RMM: 4 -0.322322702208E+03 0.12630E-02 -0.28597E-03 5144 0.111E-01 0.140E-01 RMM: 5 -0.322322586009E+03 0.11620E-03 -0.33289E-04 3988 0.415E-02 0.115E-01 RMM: 6 -0.322322513776E+03 0.72232E-04 -0.57127E-05 3326 0.213E-02 0.674E-02 RMM: 7 -0.322322512705E+03 0.10712E-05 -0.37479E-05 2796 0.174E-02 5835 T= 5730. E= 0.67568297E+03 F= 0.63394648E+03 E0= 0.66249059E+03 EK= 0.46660E+02 SP= -.55E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323457652471E+03 -0.11351E+01 -0.21427E-01 8952 0.227E+01 0.257E-01 RMM: 2 -0.323487959480E+03 -0.30307E-01 -0.19449E-01 5897 0.905E-01 0.135E+00 RMM: 3 -0.323474082692E+03 0.13877E-01 -0.13073E-02 5414 0.246E-01 0.285E-01 RMM: 4 -0.323473566690E+03 0.51600E-03 -0.13450E-03 4941 0.715E-02 0.130E-01 RMM: 5 -0.323473502999E+03 0.63691E-04 -0.13918E-04 4281 0.275E-02 0.113E-01 RMM: 6 -0.323473490344E+03 0.12655E-04 -0.25961E-05 2580 0.151E-02 5836 T= 5933. E= 0.67567536E+03 F= 0.63279550E+03 E0= 0.66130794E+03 EK= 0.48314E+02 SP= -.61E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324414959636E+03 -0.94146E+00 -0.23904E-01 8760 0.231E+01 0.391E-01 RMM: 2 -0.324462345132E+03 -0.47385E-01 -0.20340E-01 5735 0.930E-01 0.209E+00 RMM: 3 -0.324431354909E+03 0.30990E-01 -0.20379E-02 5360 0.337E-01 0.362E-01 RMM: 4 -0.324430481270E+03 0.87364E-03 -0.23979E-03 5117 0.897E-02 0.148E-01 RMM: 5 -0.324430371294E+03 0.10998E-03 -0.20609E-04 4051 0.342E-02 0.123E-01 RMM: 6 -0.324430338029E+03 0.33266E-04 -0.49352E-05 3114 0.202E-02 0.108E-01 RMM: 7 -0.324430444723E+03 -0.10669E-03 -0.15615E-04 3888 0.324E-02 0.162E-01 RMM: 8 -0.324430284491E+03 0.16023E-03 -0.24112E-04 3916 0.319E-02 0.536E-02 RMM: 9 -0.324430279672E+03 0.48190E-05 -0.41812E-05 3081 0.178E-02 5837 T= 6117. E= 0.67567197E+03 F= 0.63183871E+03 E0= 0.66032240E+03 EK= 0.49815E+02 SP= -.67E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325151368001E+03 -0.72108E+00 -0.28536E-01 8904 0.234E+01 0.463E-01 RMM: 2 -0.325201866147E+03 -0.50498E-01 -0.21576E-01 5474 0.965E-01 0.218E+00 RMM: 3 -0.325168521549E+03 0.33345E-01 -0.24424E-02 5376 0.361E-01 0.443E-01 RMM: 4 -0.325167377861E+03 0.11437E-02 -0.32308E-03 5242 0.116E-01 0.205E-01 RMM: 5 -0.325167356887E+03 0.20975E-04 -0.51203E-04 4233 0.532E-02 0.204E-01 RMM: 6 -0.325167115472E+03 0.24141E-03 -0.19409E-04 3895 0.363E-02 0.841E-02 RMM: 7 -0.325167209741E+03 -0.94269E-04 -0.12544E-04 3873 0.285E-02 0.136E-01 RMM: 8 -0.325167123239E+03 0.86502E-04 -0.11306E-04 3861 0.274E-02 0.542E-02 RMM: 9 -0.325167108531E+03 0.14708E-04 -0.24081E-05 2667 0.141E-02 5838 T= 6279. E= 0.67567382E+03 F= 0.63110188E+03 E0= 0.65955792E+03 EK= 0.51131E+02 SP= -.73E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325725911558E+03 -0.55879E+00 -0.35481E-01 8920 0.236E+01 0.333E-01 RMM: 2 -0.325766238321E+03 -0.40327E-01 -0.22730E-01 5606 0.101E+00 0.170E+00 RMM: 3 -0.325744909097E+03 0.21329E-01 -0.20061E-02 5471 0.301E-01 0.302E-01 RMM: 4 -0.325744219275E+03 0.68982E-03 -0.19921E-03 4931 0.910E-02 0.129E-01 RMM: 5 -0.325744158027E+03 0.61247E-04 -0.27007E-04 4207 0.353E-02 0.119E-01 RMM: 6 -0.325744079335E+03 0.78692E-04 -0.59002E-05 3308 0.221E-02 0.643E-02 RMM: 7 -0.325744099875E+03 -0.20539E-04 -0.55768E-05 3274 0.202E-02 0.932E-02 RMM: 8 -0.325744053406E+03 0.46469E-04 -0.95931E-05 3867 0.241E-02 0.510E-02 RMM: 9 -0.325744041414E+03 0.11992E-04 -0.25383E-05 2601 0.142E-02 5839 T= 6424. E= 0.67568169E+03 F= 0.63052495E+03 E0= 0.65895715E+03 EK= 0.52316E+02 SP= -.79E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326293887285E+03 -0.54983E+00 -0.37480E-01 8920 0.236E+01 0.317E-01 RMM: 2 -0.326329126672E+03 -0.35239E-01 -0.23514E-01 5648 0.105E+00 0.141E+00 RMM: 3 -0.326314054149E+03 0.15073E-01 -0.20305E-02 5515 0.295E-01 0.314E-01 RMM: 4 -0.326313297686E+03 0.75646E-03 -0.17960E-03 4934 0.859E-02 0.141E-01 RMM: 5 -0.326313220885E+03 0.76801E-04 -0.25940E-04 3973 0.376E-02 0.118E-01 RMM: 6 -0.326313155628E+03 0.65257E-04 -0.72790E-05 3481 0.238E-02 0.803E-02 RMM: 7 -0.326313193195E+03 -0.37567E-04 -0.69192E-05 3513 0.229E-02 0.110E-01 RMM: 8 -0.326313134787E+03 0.58408E-04 -0.10686E-04 3889 0.243E-02 0.583E-02 RMM: 9 -0.326313119113E+03 0.15673E-04 -0.32455E-05 2838 0.160E-02 5840 T= 6571. E= 0.67569277E+03 F= 0.62995587E+03 E0= 0.65836955E+03 EK= 0.53513E+02 SP= -.85E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327040212097E+03 -0.72708E+00 -0.31262E-01 9000 0.238E+01 0.343E-01 RMM: 2 -0.327080667525E+03 -0.40455E-01 -0.22644E-01 5293 0.106E+00 0.170E+00 RMM: 3 -0.327059323773E+03 0.21344E-01 -0.21991E-02 5470 0.323E-01 0.306E-01 RMM: 4 -0.327058691237E+03 0.63254E-03 -0.21647E-03 5152 0.946E-02 0.138E-01 RMM: 5 -0.327058626921E+03 0.64316E-04 -0.28394E-04 4362 0.339E-02 0.120E-01 RMM: 6 -0.327058556460E+03 0.70461E-04 -0.55475E-05 3242 0.218E-02 0.714E-02 RMM: 7 -0.327058585792E+03 -0.29332E-04 -0.54553E-05 3271 0.202E-02 0.976E-02 RMM: 8 -0.327058547927E+03 0.37865E-04 -0.96308E-05 3889 0.239E-02 0.552E-02 RMM: 9 -0.327058535289E+03 0.12638E-04 -0.26080E-05 2666 0.147E-02 5841 T= 6741. E= 0.67569724E+03 F= 0.62921045E+03 E0= 0.65761215E+03 EK= 0.54892E+02 SP= -.92E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328050643749E+03 -0.99210E+00 -0.20913E-01 8880 0.241E+01 0.243E-01 RMM: 2 -0.328076149461E+03 -0.25506E-01 -0.17944E-01 5354 0.916E-01 0.115E+00 RMM: 3 -0.328066220424E+03 0.99290E-02 -0.14750E-02 5567 0.256E-01 0.240E-01 RMM: 4 -0.328065794277E+03 0.42615E-03 -0.12385E-03 4897 0.720E-02 0.118E-01 RMM: 5 -0.328065729657E+03 0.64620E-04 -0.16553E-04 4120 0.304E-02 0.901E-02 RMM: 6 -0.328065692075E+03 0.37582E-04 -0.32837E-05 2839 0.171E-02 0.622E-02 RMM: 7 -0.328065711540E+03 -0.19465E-04 -0.38409E-05 2925 0.186E-02 5842 T= 6941. E= 0.67568769E+03 F= 0.62820328E+03 E0= 0.65660002E+03 EK= 0.56526E+02 SP= -.98E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329210255394E+03 -0.11446E+01 -0.16174E-01 8336 0.247E+01 0.243E-01 RMM: 2 -0.329234965918E+03 -0.24711E-01 -0.17908E-01 5102 0.918E-01 0.112E+00 RMM: 3 -0.329225724214E+03 0.92417E-02 -0.17080E-02 5782 0.263E-01 0.272E-01 RMM: 4 -0.329225089542E+03 0.63467E-03 -0.12808E-03 4828 0.761E-02 0.108E-01 RMM: 5 -0.329225042021E+03 0.47521E-04 -0.17984E-04 4023 0.327E-02 0.892E-02 RMM: 6 -0.329225008091E+03 0.33930E-04 -0.34944E-05 2820 0.176E-02 0.641E-02 RMM: 7 -0.329225022491E+03 -0.14399E-04 -0.35839E-05 2833 0.179E-02 5843 T= 7160. E= 0.67566989E+03 F= 0.62704397E+03 E0= 0.65544253E+03 EK= 0.58306E+02 SP= -.10E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330267233181E+03 -0.10422E+01 -0.18829E-01 8624 0.254E+01 0.295E-01 RMM: 2 -0.330299561935E+03 -0.32329E-01 -0.21913E-01 5080 0.105E+00 0.138E+00 RMM: 3 -0.330286167910E+03 0.13394E-01 -0.22549E-02 5733 0.301E-01 0.258E-01 RMM: 4 -0.330285570779E+03 0.59713E-03 -0.16553E-03 4994 0.863E-02 0.163E-01 RMM: 5 -0.330285412585E+03 0.15819E-03 -0.23794E-04 3925 0.381E-02 0.102E-01 RMM: 6 -0.330285372084E+03 0.40501E-04 -0.57128E-05 3306 0.213E-02 0.749E-02 RMM: 7 -0.330285370329E+03 0.17555E-05 -0.64407E-05 3422 0.214E-02 5844 T= 7365. E= 0.67565426E+03 F= 0.62598362E+03 E0= 0.65438915E+03 EK= 0.59979E+02 SP= -.11E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330989508734E+03 -0.70414E+00 -0.22666E-01 8984 0.259E+01 0.367E-01 RMM: 2 -0.331031261032E+03 -0.41752E-01 -0.25260E-01 5286 0.112E+00 0.170E+00 RMM: 3 -0.331010836211E+03 0.20425E-01 -0.25396E-02 5575 0.335E-01 0.339E-01 RMM: 4 -0.331010023280E+03 0.81293E-03 -0.23278E-03 5048 0.977E-02 0.186E-01 RMM: 5 -0.331009828099E+03 0.19518E-03 -0.31619E-04 4030 0.440E-02 0.127E-01 RMM: 6 -0.331009764244E+03 0.63855E-04 -0.79847E-05 3589 0.244E-02 0.953E-02 RMM: 7 -0.331009773775E+03 -0.95311E-05 -0.73462E-05 3574 0.227E-02 5845 T= 7528. E= 0.67564857E+03 F= 0.62525922E+03 E0= 0.65367446E+03 EK= 0.61304E+02 SP= -.11E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331267948060E+03 -0.25818E+00 -0.25407E-01 9096 0.261E+01 0.317E-01 RMM: 2 -0.331305160279E+03 -0.37212E-01 -0.26644E-01 5353 0.110E+00 0.141E+00 RMM: 3 -0.331290653028E+03 0.14507E-01 -0.23130E-02 5755 0.301E-01 0.301E-01 RMM: 4 -0.331289945972E+03 0.70706E-03 -0.17920E-03 4931 0.913E-02 0.182E-01 RMM: 5 -0.331289748313E+03 0.19766E-03 -0.26441E-04 3915 0.401E-02 0.118E-01 RMM: 6 -0.331289710722E+03 0.37591E-04 -0.67615E-05 3453 0.229E-02 0.990E-02 RMM: 7 -0.331289709901E+03 0.82072E-06 -0.11008E-04 3885 0.265E-02 5846 T= 7633. E= 0.67565209E+03 F= 0.62497928E+03 E0= 0.65340397E+03 EK= 0.62160E+02 SP= -.12E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331128247472E+03 0.16146E+00 -0.28177E-01 9032 0.261E+01 0.282E-01 RMM: 2 -0.331164114112E+03 -0.35867E-01 -0.27276E-01 5361 0.107E+00 0.125E+00 RMM: 3 -0.331151289078E+03 0.12825E-01 -0.21341E-02 5732 0.286E-01 0.272E-01 RMM: 4 -0.331150735545E+03 0.55353E-03 -0.16221E-03 4939 0.873E-02 0.180E-01 RMM: 5 -0.331150545822E+03 0.18972E-03 -0.25789E-04 3927 0.390E-02 0.122E-01 RMM: 6 -0.331150488898E+03 0.56923E-04 -0.74180E-05 3498 0.242E-02 0.916E-02 RMM: 7 -0.331150507000E+03 -0.18102E-04 -0.10277E-04 3849 0.259E-02 5847 T= 7682. E= 0.67566047E+03 F= 0.62511848E+03 E0= 0.65354697E+03 EK= 0.62555E+02 SP= -.12E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330679915686E+03 0.47057E+00 -0.30510E-01 9000 0.260E+01 0.265E-01 RMM: 2 -0.330714465192E+03 -0.34550E-01 -0.27754E-01 5357 0.104E+00 0.112E+00 RMM: 3 -0.330702965243E+03 0.11500E-01 -0.20349E-02 5727 0.284E-01 0.240E-01 RMM: 4 -0.330702509348E+03 0.45589E-03 -0.14378E-03 5036 0.788E-02 0.152E-01 RMM: 5 -0.330702380545E+03 0.12880E-03 -0.19836E-04 3951 0.350E-02 0.113E-01 RMM: 6 -0.330702330804E+03 0.49741E-04 -0.70982E-05 3452 0.233E-02 0.831E-02 RMM: 7 -0.330702371828E+03 -0.41024E-04 -0.13129E-04 3877 0.284E-02 0.122E-01 RMM: 8 -0.330702285183E+03 0.86646E-04 -0.10311E-04 3850 0.254E-02 0.465E-02 RMM: 9 -0.330702278712E+03 0.64702E-05 -0.27782E-05 2694 0.147E-02 5848 T= 7686. E= 0.67567094E+03 F= 0.62556671E+03 E0= 0.65399207E+03 EK= 0.62593E+02 SP= -.13E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330060984694E+03 0.64130E+00 -0.34092E-01 8840 0.258E+01 0.264E-01 RMM: 2 -0.330093675757E+03 -0.32691E-01 -0.28668E-01 5662 0.103E+00 0.889E-01 RMM: 3 -0.330085107172E+03 0.85686E-02 -0.17650E-02 5711 0.264E-01 0.183E-01 RMM: 4 -0.330085095651E+03 0.11521E-04 -0.13276E-03 4939 0.811E-02 0.248E-01 RMM: 5 -0.330084714599E+03 0.38105E-03 -0.26940E-04 3939 0.410E-02 0.109E-01 RMM: 6 -0.330084652110E+03 0.62489E-04 -0.90403E-05 3636 0.266E-02 0.610E-02 RMM: 7 -0.330084695193E+03 -0.43082E-04 -0.83921E-05 3772 0.238E-02 0.101E-01 RMM: 8 -0.330084633006E+03 0.62187E-04 -0.55166E-05 3182 0.197E-02 0.367E-02 RMM: 9 -0.330084629351E+03 0.36543E-05 -0.18699E-05 2510 0.124E-02 5849 T= 7663. E= 0.67568032E+03 F= 0.62618436E+03 E0= 0.65459707E+03 EK= 0.62405E+02 SP= -.13E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329401052894E+03 0.68358E+00 -0.36411E-01 8872 0.256E+01 0.235E-01 RMM: 2 -0.329433165739E+03 -0.32113E-01 -0.27559E-01 5896 0.101E+00 0.916E-01 RMM: 3 -0.329424704286E+03 0.84615E-02 -0.14102E-02 5656 0.250E-01 0.209E-01 RMM: 4 -0.329424469334E+03 0.23495E-03 -0.11482E-03 4854 0.733E-02 0.162E-01 RMM: 5 -0.329424320210E+03 0.14912E-03 -0.18813E-04 3899 0.350E-02 0.104E-01 RMM: 6 -0.329424260882E+03 0.59328E-04 -0.65595E-05 3383 0.230E-02 0.607E-02 RMM: 7 -0.329424295303E+03 -0.34421E-04 -0.87572E-05 3786 0.243E-02 0.998E-02 RMM: 8 -0.329424236627E+03 0.58676E-04 -0.76139E-05 3653 0.223E-02 0.436E-02 RMM: 9 -0.329424226102E+03 0.10526E-04 -0.16733E-05 2525 0.117E-02 5850 T= 7628. E= 0.67568702E+03 F= 0.62684476E+03 E0= 0.65523763E+03 EK= 0.62119E+02 SP= -.13E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328787882964E+03 0.63635E+00 -0.36691E-01 8800 0.254E+01 0.242E-01 RMM: 2 -0.328820072965E+03 -0.32190E-01 -0.28258E-01 5895 0.103E+00 0.868E-01 RMM: 3 -0.328812232582E+03 0.78404E-02 -0.15074E-02 5847 0.246E-01 0.180E-01 RMM: 4 -0.328812112500E+03 0.12008E-03 -0.10918E-03 4834 0.740E-02 0.200E-01 RMM: 5 -0.328811857105E+03 0.25540E-03 -0.20269E-04 3898 0.359E-02 0.883E-02 RMM: 6 -0.328811821824E+03 0.35281E-04 -0.56646E-05 3290 0.216E-02 0.582E-02 RMM: 7 -0.328811859435E+03 -0.37611E-04 -0.68413E-05 3597 0.210E-02 0.966E-02 RMM: 8 -0.328811800072E+03 0.59363E-04 -0.48372E-05 3123 0.197E-02 0.248E-02 RMM: 9 -0.328811800818E+03 -0.74617E-06 -0.13550E-05 2479 0.106E-02 5851 T= 7592. E= 0.67568999E+03 F= 0.62745719E+03 E0= 0.65582646E+03 EK= 0.61824E+02 SP= -.14E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328263144764E+03 0.54866E+00 -0.36473E-01 8904 0.254E+01 0.230E-01 RMM: 2 -0.328293958174E+03 -0.30813E-01 -0.28003E-01 5837 0.103E+00 0.775E-01 RMM: 3 -0.328287469168E+03 0.64890E-02 -0.15310E-02 5940 0.241E-01 0.186E-01 RMM: 4 -0.328287277379E+03 0.19179E-03 -0.10762E-03 4835 0.750E-02 0.192E-01 RMM: 5 -0.328287053431E+03 0.22395E-03 -0.20862E-04 3907 0.363E-02 0.925E-02 RMM: 6 -0.328287009798E+03 0.43633E-04 -0.53618E-05 3237 0.214E-02 0.527E-02 RMM: 7 -0.328287042248E+03 -0.32450E-04 -0.63254E-05 3486 0.211E-02 0.885E-02 RMM: 8 -0.328286993781E+03 0.48467E-04 -0.39697E-05 2965 0.184E-02 0.262E-02 RMM: 9 -0.328286994523E+03 -0.74163E-06 -0.13874E-05 2476 0.107E-02 5852 T= 7560. E= 0.67568933E+03 F= 0.62798199E+03 E0= 0.65632759E+03 EK= 0.61563E+02 SP= -.14E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327815495949E+03 0.47150E+00 -0.37030E-01 8984 0.254E+01 0.233E-01 RMM: 2 -0.327848267622E+03 -0.32772E-01 -0.29166E-01 5588 0.109E+00 0.841E-01 RMM: 3 -0.327840923728E+03 0.73439E-02 -0.18943E-02 5917 0.265E-01 0.168E-01 RMM: 4 -0.327840733994E+03 0.18973E-03 -0.11778E-03 4879 0.774E-02 0.200E-01 RMM: 5 -0.327840472534E+03 0.26146E-03 -0.21412E-04 3905 0.368E-02 0.832E-02 RMM: 6 -0.327840440209E+03 0.32325E-04 -0.52550E-05 3224 0.207E-02 0.535E-02 RMM: 7 -0.327840462996E+03 -0.22787E-04 -0.48093E-05 3107 0.197E-02 0.815E-02 RMM: 8 -0.327840422248E+03 0.40747E-04 -0.40071E-05 2972 0.187E-02 0.251E-02 RMM: 9 -0.327840425803E+03 -0.35548E-05 -0.14852E-05 2484 0.110E-02 5853 T= 7531. E= 0.67568624E+03 F= 0.62842856E+03 E0= 0.65675374E+03 EK= 0.61330E+02 SP= -.14E+02 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327406040344E+03 0.43438E+00 -0.35565E-01 8984 0.254E+01 0.226E-01 RMM: 2 -0.327436399360E+03 -0.30359E-01 -0.27682E-01 5590 0.106E+00 0.774E-01 RMM: 3 -0.327430200928E+03 0.61984E-02 -0.17343E-02 6080 0.252E-01 0.159E-01 RMM: 4 -0.327430013533E+03 0.18740E-03 -0.10439E-03 4849 0.743E-02 0.198E-01 RMM: 5 -0.327429764784E+03 0.24875E-03 -0.20311E-04 3899 0.366E-02 0.837E-02 RMM: 6 -0.327429729304E+03 0.35479E-04 -0.48804E-05 3160 0.203E-02 0.496E-02 RMM: 7 -0.327429749325E+03 -0.20021E-04 -0.40759E-05 2897 0.184E-02 0.776E-02 RMM: 8 -0.327429711044E+03 0.38281E-04 -0.35874E-05 2823 0.178E-02 0.222E-02 RMM: 9 -0.327429716999E+03 -0.59547E-05 -0.15483E-05 2484 0.111E-02 5854 T= 7501. E= 0.67568201E+03 F= 0.62883927E+03 E0= 0.65715018E+03 EK= 0.61085E+02 SP= -.14E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326975229520E+03 0.45448E+00 -0.33430E-01 9008 0.254E+01 0.216E-01 RMM: 2 -0.327002795863E+03 -0.27566E-01 -0.24810E-01 5780 0.991E-01 0.771E-01 RMM: 3 -0.326996662554E+03 0.61333E-02 -0.13794E-02 5882 0.236E-01 0.154E-01 RMM: 4 -0.326996551966E+03 0.11059E-03 -0.94619E-04 4795 0.689E-02 0.186E-01 RMM: 5 -0.326996316333E+03 0.23563E-03 -0.17793E-04 3897 0.344E-02 0.748E-02 RMM: 6 -0.326996291185E+03 0.25148E-04 -0.43255E-05 3068 0.193E-02 0.514E-02 RMM: 7 -0.326996304435E+03 -0.13250E-04 -0.40747E-05 2857 0.185E-02 5855 T= 7463. E= 0.67567820E+03 F= 0.62927268E+03 E0= 0.65757625E+03 EK= 0.60773E+02 SP= -.14E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326465652798E+03 0.53064E+00 -0.31303E-01 8984 0.254E+01 0.212E-01 RMM: 2 -0.326490964788E+03 -0.25312E-01 -0.22622E-01 5890 0.944E-01 0.773E-01 RMM: 3 -0.326485200996E+03 0.57638E-02 -0.11962E-02 6046 0.221E-01 0.174E-01 RMM: 4 -0.326484980608E+03 0.22039E-03 -0.80076E-04 4760 0.623E-02 0.150E-01 RMM: 5 -0.326484830030E+03 0.15058E-03 -0.13424E-04 3852 0.294E-02 0.716E-02 RMM: 6 -0.326484819872E+03 0.10158E-04 -0.40962E-05 3046 0.188E-02 5856 T= 7410. E= 0.67567624E+03 F= 0.62978417E+03 E0= 0.65808758E+03 EK= 0.60342E+02 SP= -.14E+02 SK= 0.60E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325844050616E+03 0.64078E+00 -0.30475E-01 8968 0.254E+01 0.324E-01 RMM: 2 -0.325886243456E+03 -0.42193E-01 -0.23775E-01 5380 0.101E+00 0.172E+00 RMM: 3 -0.325863737333E+03 0.22506E-01 -0.19391E-02 5422 0.314E-01 0.284E-01 RMM: 4 -0.325863207372E+03 0.52996E-03 -0.20282E-03 5217 0.858E-02 0.115E-01 RMM: 5 -0.325863148309E+03 0.59063E-04 -0.21899E-04 3989 0.350E-02 0.106E-01 RMM: 6 -0.325863086443E+03 0.61867E-04 -0.59676E-05 3310 0.219E-02 0.610E-02 RMM: 7 -0.325863117260E+03 -0.30818E-04 -0.52356E-05 3268 0.205E-02 0.909E-02 RMM: 8 -0.325863074511E+03 0.42750E-04 -0.67055E-05 3473 0.195E-02 0.473E-02 RMM: 9 -0.325863062217E+03 0.12293E-04 -0.19119E-05 2533 0.129E-02 5857 T= 7339. E= 0.67567675E+03 F= 0.63040593E+03 E0= 0.65871517E+03 EK= 0.59763E+02 SP= -.14E+02 SK= 0.88E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325119370093E+03 0.74370E+00 -0.27174E-01 8912 0.253E+01 0.322E-01 RMM: 2 -0.325158274592E+03 -0.38904E-01 -0.21540E-01 5337 0.969E-01 0.168E+00 RMM: 3 -0.325137232666E+03 0.21042E-01 -0.17755E-02 5436 0.298E-01 0.312E-01 RMM: 4 -0.325136578800E+03 0.65387E-03 -0.20278E-03 4998 0.944E-02 0.138E-01 RMM: 5 -0.325136532165E+03 0.46635E-04 -0.26813E-04 4096 0.366E-02 0.124E-01 RMM: 6 -0.325136435767E+03 0.96398E-04 -0.61841E-05 3356 0.223E-02 0.459E-02 RMM: 7 -0.325136456106E+03 -0.20339E-04 -0.36921E-05 2932 0.173E-02 0.750E-02 RMM: 8 -0.325136432690E+03 0.23416E-04 -0.51485E-05 3123 0.205E-02 0.397E-02 RMM: 9 -0.325136425007E+03 0.76830E-05 -0.14671E-05 2483 0.111E-02 5858 T= 7251. E= 0.67568081E+03 F= 0.63113256E+03 E0= 0.65945389E+03 EK= 0.59046E+02 SP= -.14E+02 SK= 0.18E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324336493998E+03 0.79994E+00 -0.23642E-01 8888 0.250E+01 0.251E-01 RMM: 2 -0.324364886644E+03 -0.28393E-01 -0.19199E-01 5573 0.920E-01 0.124E+00 RMM: 3 -0.324352839181E+03 0.12047E-01 -0.13799E-02 5518 0.253E-01 0.235E-01 RMM: 4 -0.324352439939E+03 0.39924E-03 -0.12512E-03 4800 0.727E-02 0.110E-01 RMM: 5 -0.324352384495E+03 0.55444E-04 -0.16409E-04 4138 0.304E-02 0.904E-02 RMM: 6 -0.324352339530E+03 0.44964E-04 -0.32484E-05 2825 0.170E-02 0.538E-02 RMM: 7 -0.324352350763E+03 -0.11232E-04 -0.38734E-05 2948 0.183E-02 5859 T= 7152. E= 0.67568641E+03 F= 0.63191664E+03 E0= 0.66025618E+03 EK= 0.58241E+02 SP= -.14E+02 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323567104110E+03 0.78524E+00 -0.19673E-01 8872 0.248E+01 0.166E-01 RMM: 2 -0.323585671155E+03 -0.18567E-01 -0.16421E-01 5892 0.852E-01 0.696E-01 RMM: 3 -0.323581635283E+03 0.40359E-02 -0.98461E-03 5718 0.203E-01 0.168E-01 RMM: 4 -0.323581399090E+03 0.23619E-03 -0.62492E-04 4743 0.528E-02 0.101E-01 RMM: 5 -0.323581344026E+03 0.55064E-04 -0.77283E-05 3521 0.244E-02 0.711E-02 RMM: 6 -0.323581339057E+03 0.49686E-05 -0.28541E-05 2613 0.162E-02 5860 T= 7051. E= 0.67569106E+03 F= 0.63268765E+03 E0= 0.66105156E+03 EK= 0.57421E+02 SP= -.14E+02 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322866387768E+03 0.71496E+00 -0.16650E-01 8424 0.246E+01 0.330E-01 RMM: 2 -0.322905844753E+03 -0.39457E-01 -0.18542E-01 5080 0.952E-01 0.182E+00 RMM: 3 -0.322882006059E+03 0.23839E-01 -0.20485E-02 5420 0.318E-01 0.358E-01 RMM: 4 -0.322881052508E+03 0.95355E-03 -0.21995E-03 5135 0.950E-02 0.102E-01 RMM: 5 -0.322881019518E+03 0.32990E-04 -0.28135E-04 4718 0.309E-02 0.933E-02 RMM: 6 -0.322880976019E+03 0.43499E-04 -0.29380E-05 2723 0.165E-02 0.663E-02 RMM: 7 -0.322880997373E+03 -0.21354E-04 -0.35083E-05 2928 0.171E-02 0.887E-02 RMM: 8 -0.322880971116E+03 0.26257E-04 -0.10172E-04 3889 0.221E-02 0.633E-02 RMM: 9 -0.322880947366E+03 0.23751E-04 -0.23554E-05 2607 0.138E-02 0.190E-02 RMM: 10 -0.322880952600E+03 -0.52344E-05 -0.90032E-06 2457 0.930E-03 5861 T= 6956. E= 0.67569305E+03 F= 0.63338804E+03 E0= 0.66178185E+03 EK= 0.56648E+02 SP= -.14E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322252206775E+03 0.62874E+00 -0.13601E-01 7896 0.244E+01 0.294E-01 RMM: 2 -0.322282341580E+03 -0.30135E-01 -0.14616E-01 4982 0.850E-01 0.159E+00 RMM: 3 -0.322264203977E+03 0.18138E-01 -0.15644E-02 5412 0.278E-01 0.280E-01 RMM: 4 -0.322263668893E+03 0.53508E-03 -0.18186E-03 4960 0.918E-02 0.122E-01 RMM: 5 -0.322263648063E+03 0.20829E-04 -0.26056E-04 4018 0.359E-02 0.121E-01 RMM: 6 -0.322263552314E+03 0.95750E-04 -0.61652E-05 3349 0.228E-02 0.414E-02 RMM: 7 -0.322263555906E+03 -0.35921E-05 -0.23321E-05 2554 0.142E-02 5862 T= 6869. E= 0.67569207E+03 F= 0.63400543E+03 E0= 0.66243514E+03 EK= 0.55937E+02 SP= -.14E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321684117138E+03 0.57944E+00 -0.11945E-01 7760 0.244E+01 0.193E-01 RMM: 2 -0.321700207398E+03 -0.16090E-01 -0.12079E-01 5013 0.787E-01 0.889E-01 RMM: 3 -0.321694502805E+03 0.57046E-02 -0.13117E-02 5814 0.223E-01 0.196E-01 RMM: 4 -0.321694101696E+03 0.40111E-03 -0.80240E-04 4848 0.605E-02 0.814E-02 RMM: 5 -0.321694072288E+03 0.29408E-04 -0.10309E-04 3869 0.259E-02 0.715E-02 RMM: 6 -0.321694050295E+03 0.21993E-04 -0.22741E-05 2558 0.142E-02 0.498E-02 RMM: 7 -0.321694059634E+03 -0.93391E-05 -0.29778E-05 2648 0.163E-02 5863 T= 6786. E= 0.67568928E+03 F= 0.63457493E+03 E0= 0.66304484E+03 EK= 0.55258E+02 SP= -.14E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321107733814E+03 0.58632E+00 -0.11319E-01 8088 0.243E+01 0.224E-01 RMM: 2 -0.321125829865E+03 -0.18096E-01 -0.11421E-01 5049 0.766E-01 0.109E+00 RMM: 3 -0.321117231082E+03 0.85988E-02 -0.12255E-02 5651 0.227E-01 0.219E-01 RMM: 4 -0.321116838203E+03 0.39288E-03 -0.98829E-04 4721 0.671E-02 0.985E-02 RMM: 5 -0.321116787420E+03 0.50783E-04 -0.13879E-04 3896 0.292E-02 0.837E-02 RMM: 6 -0.321116746923E+03 0.40497E-04 -0.29603E-05 2718 0.167E-02 0.451E-02 RMM: 7 -0.321116748390E+03 -0.14671E-05 -0.19838E-05 2522 0.138E-02 5864 T= 6700. E= 0.67568728E+03 F= 0.63515224E+03 E0= 0.66366538E+03 EK= 0.54562E+02 SP= -.14E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320484711838E+03 0.63204E+00 -0.11396E-01 8552 0.243E+01 0.196E-01 RMM: 2 -0.320500372691E+03 -0.15661E-01 -0.11939E-01 5196 0.770E-01 0.871E-01 RMM: 3 -0.320494711742E+03 0.56609E-02 -0.11794E-02 5772 0.211E-01 0.191E-01 RMM: 4 -0.320494378191E+03 0.33355E-03 -0.75672E-04 4904 0.573E-02 0.101E-01 RMM: 5 -0.320494311699E+03 0.66492E-04 -0.10035E-04 3778 0.266E-02 0.753E-02 RMM: 6 -0.320494289386E+03 0.22313E-04 -0.25194E-05 2578 0.149E-02 0.592E-02 RMM: 7 -0.320494283265E+03 0.61217E-05 -0.39024E-05 2727 0.178E-02 5865 T= 6609. E= 0.67568771E+03 F= 0.63577471E+03 E0= 0.66433226E+03 EK= 0.53817E+02 SP= -.14E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319819168568E+03 0.67512E+00 -0.11683E-01 8512 0.241E+01 0.187E-01 RMM: 2 -0.319834195217E+03 -0.15027E-01 -0.11855E-01 5173 0.764E-01 0.821E-01 RMM: 3 -0.319829070532E+03 0.51247E-02 -0.11665E-02 5854 0.205E-01 0.181E-01 RMM: 4 -0.319828749094E+03 0.32144E-03 -0.71050E-04 4799 0.576E-02 0.103E-01 RMM: 5 -0.319828689717E+03 0.59377E-04 -0.10103E-04 3719 0.258E-02 0.801E-02 RMM: 6 -0.319828661587E+03 0.28130E-04 -0.27264E-05 2655 0.160E-02 0.549E-02 RMM: 7 -0.319828666226E+03 -0.46393E-05 -0.32402E-05 2640 0.164E-02 5866 T= 6512. E= 0.67569072E+03 F= 0.63644032E+03 E0= 0.66504111E+03 EK= 0.53029E+02 SP= -.14E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319154781964E+03 0.67388E+00 -0.11238E-01 8544 0.239E+01 0.170E-01 RMM: 2 -0.319167637500E+03 -0.12856E-01 -0.10645E-01 5264 0.706E-01 0.725E-01 RMM: 3 -0.319163411210E+03 0.42263E-02 -0.94340E-03 6016 0.185E-01 0.152E-01 RMM: 4 -0.319163190386E+03 0.22082E-03 -0.53737E-04 4665 0.502E-02 0.105E-01 RMM: 5 -0.319163119601E+03 0.70785E-04 -0.78125E-05 3538 0.236E-02 0.680E-02 RMM: 6 -0.319163100026E+03 0.19575E-04 -0.23144E-05 2562 0.147E-02 5867 T= 6416. E= 0.67569552E+03 F= 0.63710589E+03 E0= 0.66574655E+03 EK= 0.52244E+02 SP= -.14E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318561144321E+03 0.60198E+00 -0.11024E-01 8280 0.237E+01 0.231E-01 RMM: 2 -0.318580659028E+03 -0.19515E-01 -0.10433E-01 5257 0.706E-01 0.123E+00 RMM: 3 -0.318569489601E+03 0.11169E-01 -0.10656E-02 5483 0.224E-01 0.240E-01 RMM: 4 -0.318569071474E+03 0.41813E-03 -0.10197E-03 4892 0.632E-02 0.867E-02 RMM: 5 -0.318569027888E+03 0.43586E-04 -0.10365E-04 3901 0.247E-02 0.772E-02 RMM: 6 -0.318569003649E+03 0.24239E-04 -0.20577E-05 2552 0.134E-02 0.633E-02 RMM: 7 -0.318569019122E+03 -0.15473E-04 -0.43870E-05 3079 0.185E-02 5868 T= 6329. E= 0.67570097E+03 F= 0.63769997E+03 E0= 0.66637579E+03 EK= 0.51537E+02 SP= -.14E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318121243232E+03 0.44776E+00 -0.10598E-01 8344 0.234E+01 0.245E-01 RMM: 2 -0.318139789443E+03 -0.18546E-01 -0.99312E-02 5126 0.717E-01 0.123E+00 RMM: 3 -0.318129107946E+03 0.10681E-01 -0.10924E-02 5542 0.226E-01 0.254E-01 RMM: 4 -0.318128649771E+03 0.45818E-03 -0.11295E-03 4698 0.723E-02 0.108E-01 RMM: 5 -0.318128663704E+03 -0.13933E-04 -0.18670E-04 3876 0.341E-02 5869 T= 6262. E= 0.67570656E+03 F= 0.63814033E+03 E0= 0.66684439E+03 EK= 0.50991E+02 SP= -.13E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317906906948E+03 0.22174E+00 -0.10457E-01 8224 0.233E+01 0.194E-01 RMM: 2 -0.317925038039E+03 -0.18131E-01 -0.10533E-01 5277 0.708E-01 0.115E+00 RMM: 3 -0.317915698168E+03 0.93399E-02 -0.10088E-02 5614 0.206E-01 0.186E-01 RMM: 4 -0.317915409451E+03 0.28872E-03 -0.78711E-04 4928 0.552E-02 0.921E-02 RMM: 5 -0.317915355108E+03 0.54343E-04 -0.79835E-05 3734 0.221E-02 0.778E-02 RMM: 6 -0.317915340318E+03 0.14790E-04 -0.21163E-05 2532 0.137E-02 5870 T= 6223. E= 0.67571067E+03 F= 0.63835365E+03 E0= 0.66708008E+03 EK= 0.50680E+02 SP= -.13E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317971439826E+03 -0.56085E-01 -0.10315E-01 7840 0.232E+01 0.327E-01 RMM: 2 -0.318010034106E+03 -0.38594E-01 -0.10518E-01 4887 0.758E-01 0.210E+00 RMM: 3 -0.317979580982E+03 0.30453E-01 -0.16442E-02 5376 0.305E-01 0.302E-01 RMM: 4 -0.317978962649E+03 0.61833E-03 -0.19042E-03 5089 0.800E-02 0.866E-02 RMM: 5 -0.317978923767E+03 0.38883E-04 -0.17109E-04 3888 0.327E-02 0.886E-02 RMM: 6 -0.317978880491E+03 0.43276E-04 -0.37152E-05 2943 0.179E-02 0.545E-02 RMM: 7 -0.317978888414E+03 -0.79235E-05 -0.28782E-05 2618 0.166E-02 5871 T= 6220. E= 0.67571128E+03 F= 0.63829010E+03 E0= 0.66703225E+03 EK= 0.50653E+02 SP= -.13E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318325682089E+03 -0.34680E+00 -0.10401E-01 7616 0.232E+01 0.440E-01 RMM: 2 -0.318376120156E+03 -0.50438E-01 -0.13123E-01 4842 0.880E-01 0.245E+00 RMM: 3 -0.318335453035E+03 0.40667E-01 -0.22400E-02 5362 0.364E-01 0.465E-01 RMM: 4 -0.318333910678E+03 0.15424E-02 -0.30464E-03 5337 0.115E-01 0.135E-01 RMM: 5 -0.318334013870E+03 -0.10319E-03 -0.46721E-04 4005 0.482E-02 0.185E-01 RMM: 6 -0.318333792760E+03 0.22111E-03 -0.13732E-04 3837 0.323E-02 0.559E-02 RMM: 7 -0.318333775734E+03 0.17026E-04 -0.22116E-05 2581 0.131E-02 5872 T= 6254. E= 0.67570995E+03 F= 0.63793521E+03 E0= 0.66668752E+03 EK= 0.50925E+02 SP= -.13E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318950354688E+03 -0.61656E+00 -0.99680E-02 7848 0.233E+01 0.260E-01 RMM: 2 -0.318971965294E+03 -0.21611E-01 -0.99148E-02 4896 0.733E-01 0.142E+00 RMM: 3 -0.318958393175E+03 0.13572E-01 -0.12663E-02 5442 0.254E-01 0.259E-01 RMM: 4 -0.318957926033E+03 0.46714E-03 -0.12327E-03 4853 0.681E-02 0.908E-02 RMM: 5 -0.318957874477E+03 0.51556E-04 -0.14821E-04 3861 0.319E-02 0.739E-02 RMM: 6 -0.318957834653E+03 0.39824E-04 -0.32407E-05 2781 0.166E-02 0.410E-02 RMM: 7 -0.318957839213E+03 -0.45599E-05 -0.24183E-05 2560 0.146E-02 5873 T= 6321. E= 0.67570580E+03 F= 0.63731115E+03 E0= 0.66606950E+03 EK= 0.51473E+02 SP= -.13E+02 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319787240555E+03 -0.82941E+00 -0.10047E-01 7840 0.235E+01 0.204E-01 RMM: 2 -0.319803096181E+03 -0.15856E-01 -0.10476E-01 4804 0.755E-01 0.997E-01 RMM: 3 -0.319796230707E+03 0.68655E-02 -0.12773E-02 5665 0.226E-01 0.185E-01 RMM: 4 -0.319795917039E+03 0.31367E-03 -0.87966E-04 4989 0.598E-02 0.864E-02 RMM: 5 -0.319795893047E+03 0.23992E-04 -0.12170E-04 3761 0.301E-02 0.767E-02 RMM: 6 -0.319795854644E+03 0.38403E-04 -0.30214E-05 2740 0.164E-02 0.339E-02 RMM: 7 -0.319795855960E+03 -0.13159E-05 -0.15088E-05 2497 0.126E-02 5874 T= 6415. E= 0.67569995E+03 F= 0.63647313E+03 E0= 0.66523499E+03 EK= 0.52238E+02 SP= -.13E+02 SK= 0.89E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320760322906E+03 -0.96447E+00 -0.11421E-01 7656 0.237E+01 0.171E-01 RMM: 2 -0.320774328196E+03 -0.14005E-01 -0.11479E-01 4786 0.797E-01 0.748E-01 RMM: 3 -0.320770304109E+03 0.40241E-02 -0.13236E-02 5958 0.214E-01 0.164E-01 RMM: 4 -0.320769963364E+03 0.34074E-03 -0.67422E-04 4774 0.594E-02 0.104E-01 RMM: 5 -0.320769890524E+03 0.72841E-04 -0.10862E-04 3683 0.287E-02 0.672E-02 RMM: 6 -0.320769863532E+03 0.26991E-04 -0.26549E-05 2566 0.153E-02 0.396E-02 RMM: 7 -0.320769857448E+03 0.60842E-05 -0.18714E-05 2500 0.131E-02 5875 T= 6526. E= 0.67569344E+03 F= 0.63549913E+03 E0= 0.66426388E+03 EK= 0.53141E+02 SP= -.13E+02 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321782555751E+03 -0.10127E+01 -0.11028E-01 7824 0.239E+01 0.157E-01 RMM: 2 -0.321794330364E+03 -0.11775E-01 -0.87514E-02 4973 0.683E-01 0.784E-01 RMM: 3 -0.321790019578E+03 0.43108E-02 -0.94713E-03 5846 0.188E-01 0.151E-01 RMM: 4 -0.321789794748E+03 0.22483E-03 -0.52326E-04 4598 0.504E-02 0.886E-02 RMM: 5 -0.321789745152E+03 0.49596E-04 -0.82540E-05 3560 0.250E-02 0.615E-02 RMM: 6 -0.321789727531E+03 0.17621E-04 -0.24292E-05 2554 0.148E-02 5876 T= 6642. E= 0.67568653E+03 F= 0.63447926E+03 E0= 0.66324789E+03 EK= 0.54087E+02 SP= -.13E+02 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322753078747E+03 -0.96333E+00 -0.11971E-01 7664 0.241E+01 0.193E-01 RMM: 2 -0.322770011292E+03 -0.16933E-01 -0.11821E-01 4940 0.791E-01 0.955E-01 RMM: 3 -0.322763276378E+03 0.67349E-02 -0.13143E-02 5658 0.223E-01 0.207E-01 RMM: 4 -0.322762869858E+03 0.40652E-03 -0.89673E-04 4816 0.649E-02 0.867E-02 RMM: 5 -0.322762822274E+03 0.47584E-04 -0.12293E-04 4033 0.264E-02 0.694E-02 RMM: 6 -0.322762798141E+03 0.24133E-04 -0.22853E-05 2554 0.144E-02 0.490E-02 RMM: 7 -0.322762798506E+03 -0.36477E-06 -0.22432E-05 2532 0.143E-02 5877 T= 6752. E= 0.67568037E+03 F= 0.63350619E+03 E0= 0.66228085E+03 EK= 0.54981E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323599316447E+03 -0.83652E+00 -0.11437E-01 7760 0.243E+01 0.212E-01 RMM: 2 -0.323614598775E+03 -0.15282E-01 -0.93629E-02 4957 0.729E-01 0.105E+00 RMM: 3 -0.323607037506E+03 0.75613E-02 -0.10903E-02 5593 0.218E-01 0.198E-01 RMM: 4 -0.323606768373E+03 0.26913E-03 -0.94496E-04 4677 0.676E-02 0.116E-01 RMM: 5 -0.323606711937E+03 0.56436E-04 -0.14513E-04 3861 0.305E-02 0.875E-02 RMM: 6 -0.323606662586E+03 0.49351E-04 -0.32437E-05 2873 0.174E-02 0.317E-02 RMM: 7 -0.323606662135E+03 0.45107E-06 -0.15330E-05 2498 0.124E-02 5878 T= 6844. E= 0.67567551E+03 F= 0.63266233E+03 E0= 0.66144620E+03 EK= 0.55735E+02 SP= -.13E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324250260257E+03 -0.64360E+00 -0.12428E-01 7704 0.244E+01 0.194E-01 RMM: 2 -0.324268582519E+03 -0.18322E-01 -0.13085E-01 4981 0.824E-01 0.994E-01 RMM: 3 -0.324261525760E+03 0.70568E-02 -0.14456E-02 5872 0.221E-01 0.185E-01 RMM: 4 -0.324261101110E+03 0.42465E-03 -0.80290E-04 4832 0.635E-02 0.978E-02 RMM: 5 -0.324261035886E+03 0.65224E-04 -0.11604E-04 3818 0.270E-02 0.681E-02 RMM: 6 -0.324261010520E+03 0.25366E-04 -0.25982E-05 2598 0.155E-02 0.443E-02 RMM: 7 -0.324261007649E+03 0.28715E-05 -0.20858E-05 2540 0.135E-02 5879 T= 6912. E= 0.67567265E+03 F= 0.63200798E+03 E0= 0.66080281E+03 EK= 0.56287E+02 SP= -.13E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324685394945E+03 -0.42438E+00 -0.11803E-01 7864 0.244E+01 0.182E-01 RMM: 2 -0.324699491760E+03 -0.14097E-01 -0.11022E-01 4908 0.765E-01 0.802E-01 RMM: 3 -0.324694798736E+03 0.46930E-02 -0.12381E-02 5963 0.210E-01 0.168E-01 RMM: 4 -0.324694456462E+03 0.34227E-03 -0.65476E-04 4782 0.581E-02 0.960E-02 RMM: 5 -0.324694402595E+03 0.53867E-04 -0.93446E-05 3671 0.259E-02 0.622E-02 RMM: 6 -0.324694383054E+03 0.19541E-04 -0.22060E-05 2551 0.141E-02 5880 T= 6951. E= 0.67567215E+03 F= 0.63157461E+03 E0= 0.66038285E+03 EK= 0.56603E+02 SP= -.13E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324892249475E+03 -0.19785E+00 -0.12360E-01 7696 0.244E+01 0.175E-01 RMM: 2 -0.324908622082E+03 -0.16373E-01 -0.13100E-01 4875 0.814E-01 0.808E-01 RMM: 3 -0.324903696763E+03 0.49253E-02 -0.14821E-02 5942 0.226E-01 0.150E-01 RMM: 4 -0.324903345905E+03 0.35086E-03 -0.69175E-04 4941 0.574E-02 0.965E-02 RMM: 5 -0.324903283114E+03 0.62791E-04 -0.88849E-05 3747 0.255E-02 0.662E-02 RMM: 6 -0.324903265648E+03 0.17466E-04 -0.21908E-05 2537 0.141E-02 5881 T= 6960. E= 0.67567343E+03 F= 0.63136572E+03 E0= 0.66018772E+03 EK= 0.56677E+02 SP= -.12E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324899119931E+03 0.41632E-02 -0.12256E-01 7760 0.244E+01 0.316E-01 RMM: 2 -0.324930330046E+03 -0.31210E-01 -0.12003E-01 4904 0.820E-01 0.178E+00 RMM: 3 -0.324908654960E+03 0.21675E-01 -0.16509E-02 5417 0.295E-01 0.307E-01 RMM: 4 -0.324907934800E+03 0.72016E-03 -0.17189E-03 4860 0.844E-02 0.866E-02 RMM: 5 -0.324907916720E+03 0.18080E-04 -0.19634E-04 4069 0.323E-02 5882 T= 6942. E= 0.67567619E+03 F= 0.63136107E+03 E0= 0.66019671E+03 EK= 0.56530E+02 SP= -.12E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324733796233E+03 0.17414E+00 -0.12630E-01 8024 0.243E+01 0.175E-01 RMM: 2 -0.324751434545E+03 -0.17638E-01 -0.12140E-01 5036 0.767E-01 0.963E-01 RMM: 3 -0.324744167608E+03 0.72669E-02 -0.12198E-02 5591 0.228E-01 0.191E-01 RMM: 4 -0.324743874977E+03 0.29263E-03 -0.89568E-04 4940 0.615E-02 0.971E-02 RMM: 5 -0.324743825578E+03 0.49399E-04 -0.98848E-05 3866 0.257E-02 0.781E-02 RMM: 6 -0.324743801031E+03 0.24547E-04 -0.24777E-05 2561 0.149E-02 0.613E-02 RMM: 7 -0.324743824989E+03 -0.23958E-04 -0.68141E-05 3578 0.213E-02 0.974E-02 RMM: 8 -0.324743764630E+03 0.60359E-04 -0.11564E-04 3888 0.249E-02 0.278E-02 RMM: 9 -0.324743764559E+03 0.71472E-07 -0.14487E-05 2508 0.108E-02 5883 T= 6901. E= 0.67567904E+03 F= 0.63152522E+03 E0= 0.66037327E+03 EK= 0.56196E+02 SP= -.12E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324436213433E+03 0.30755E+00 -0.13244E-01 7784 0.242E+01 0.244E-01 RMM: 2 -0.324454197105E+03 -0.17984E-01 -0.14924E-01 4699 0.891E-01 0.853E-01 RMM: 3 -0.324448947941E+03 0.52492E-02 -0.17697E-02 6051 0.240E-01 0.162E-01 RMM: 4 -0.324448879158E+03 0.68783E-04 -0.10768E-03 4795 0.794E-02 0.262E-01 RMM: 5 -0.324448467745E+03 0.41141E-03 -0.26804E-04 3991 0.438E-02 0.916E-02 RMM: 6 -0.324448417263E+03 0.50482E-04 -0.56382E-05 3263 0.223E-02 0.305E-02 RMM: 7 -0.324448436318E+03 -0.19055E-04 -0.23011E-05 2561 0.145E-02 5884 T= 6842. E= 0.67568108E+03 F= 0.63182055E+03 E0= 0.66067923E+03 EK= 0.55716E+02 SP= -.12E+02 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324038456283E+03 0.40996E+00 -0.13211E-01 7976 0.242E+01 0.145E-01 RMM: 2 -0.324054491486E+03 -0.16035E-01 -0.13822E-01 4887 0.838E-01 0.686E-01 RMM: 3 -0.324050706744E+03 0.37847E-02 -0.15321E-02 6346 0.224E-01 0.149E-01 RMM: 4 -0.324050285871E+03 0.42087E-03 -0.55262E-04 4644 0.561E-02 0.736E-02 RMM: 5 -0.324050241649E+03 0.44222E-04 -0.72774E-05 3471 0.249E-02 0.542E-02 RMM: 6 -0.324050234598E+03 0.70506E-05 -0.22278E-05 2532 0.142E-02 5885 T= 6769. E= 0.67568240E+03 F= 0.63221875E+03 E0= 0.66108535E+03 EK= 0.55120E+02 SP= -.12E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323549714709E+03 0.50053E+00 -0.14691E-01 7968 0.241E+01 0.213E-01 RMM: 2 -0.323575348647E+03 -0.25634E-01 -0.18198E-01 4763 0.966E-01 0.113E+00 RMM: 3 -0.323565701513E+03 0.96471E-02 -0.20391E-02 5762 0.274E-01 0.207E-01 RMM: 4 -0.323565160540E+03 0.54097E-03 -0.12029E-03 5272 0.711E-02 0.823E-02 RMM: 5 -0.323565122255E+03 0.38285E-04 -0.13519E-04 4077 0.305E-02 0.696E-02 RMM: 6 -0.323565101089E+03 0.21166E-04 -0.27950E-05 2606 0.156E-02 0.569E-02 RMM: 7 -0.323565123200E+03 -0.22112E-04 -0.38643E-05 2951 0.180E-02 0.864E-02 RMM: 8 -0.323565075261E+03 0.47939E-04 -0.71904E-05 3674 0.190E-02 0.357E-02 RMM: 9 -0.323565069232E+03 0.60293E-05 -0.14540E-05 2503 0.111E-02 5886 T= 6684. E= 0.67568277E+03 F= 0.63270392E+03 E0= 0.66157612E+03 EK= 0.54428E+02 SP= -.12E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322987202713E+03 0.57787E+00 -0.13538E-01 8064 0.241E+01 0.279E-01 RMM: 2 -0.323015523289E+03 -0.28321E-01 -0.16235E-01 4745 0.910E-01 0.142E+00 RMM: 3 -0.323000798409E+03 0.14725E-01 -0.18839E-02 5630 0.281E-01 0.244E-01 RMM: 4 -0.323000343269E+03 0.45514E-03 -0.16807E-03 5026 0.903E-02 0.157E-01 RMM: 5 -0.323000281501E+03 0.61768E-04 -0.24806E-04 3911 0.369E-02 0.133E-01 RMM: 6 -0.323000163255E+03 0.11825E-03 -0.63774E-05 3375 0.230E-02 0.311E-02 RMM: 7 -0.323000167912E+03 -0.46566E-05 -0.21580E-05 2541 0.138E-02 5887 T= 6588. E= 0.67568332E+03 F= 0.63326882E+03 E0= 0.66214348E+03 EK= 0.53652E+02 SP= -.11E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322347849947E+03 0.65231E+00 -0.13509E-01 7968 0.240E+01 0.150E-01 RMM: 2 -0.322365307408E+03 -0.17457E-01 -0.15082E-01 4904 0.860E-01 0.692E-01 RMM: 3 -0.322361176541E+03 0.41309E-02 -0.16059E-02 6143 0.231E-01 0.163E-01 RMM: 4 -0.322360750280E+03 0.42626E-03 -0.64640E-04 4696 0.595E-02 0.838E-02 RMM: 5 -0.322360703113E+03 0.47167E-04 -0.85544E-05 3595 0.267E-02 0.569E-02 RMM: 6 -0.322360693287E+03 0.98264E-05 -0.24257E-05 2546 0.147E-02 5888 T= 6484. E= 0.67568507E+03 F= 0.63390830E+03 E0= 0.66278164E+03 EK= 0.52802E+02 SP= -.11E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321646777067E+03 0.71393E+00 -0.13780E-01 8256 0.240E+01 0.284E-01 RMM: 2 -0.321677539967E+03 -0.30763E-01 -0.15255E-01 4839 0.899E-01 0.159E+00 RMM: 3 -0.321659460906E+03 0.18079E-01 -0.18466E-02 5523 0.293E-01 0.245E-01 RMM: 4 -0.321658936903E+03 0.52400E-03 -0.15836E-03 5075 0.776E-02 0.899E-02 RMM: 5 -0.321658897814E+03 0.39089E-04 -0.16439E-04 3987 0.323E-02 0.803E-02 RMM: 6 -0.321658865742E+03 0.32072E-04 -0.31918E-05 2696 0.165E-02 0.539E-02 RMM: 7 -0.321658873877E+03 -0.81350E-05 -0.27484E-05 2611 0.163E-02 5889 T= 6373. E= 0.67568679E+03 F= 0.63461012E+03 E0= 0.66347852E+03 EK= 0.51895E+02 SP= -.11E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320901771496E+03 0.75709E+00 -0.13351E-01 8360 0.239E+01 0.245E-01 RMM: 2 -0.320924391899E+03 -0.22620E-01 -0.14275E-01 4872 0.854E-01 0.120E+00 RMM: 3 -0.320913846737E+03 0.10545E-01 -0.15925E-02 5555 0.269E-01 0.264E-01 RMM: 4 -0.320913363992E+03 0.48275E-03 -0.14203E-03 4875 0.811E-02 0.128E-01 RMM: 5 -0.320913352891E+03 0.11101E-04 -0.22343E-04 3894 0.378E-02 0.126E-01 RMM: 6 -0.320913243324E+03 0.10957E-03 -0.58417E-05 3310 0.222E-02 0.293E-02 RMM: 7 -0.320913245805E+03 -0.24812E-05 -0.17943E-05 2519 0.131E-02 5890 T= 6257. E= 0.67568904E+03 F= 0.63535574E+03 E0= 0.66421569E+03 EK= 0.50952E+02 SP= -.11E+02 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320137026804E+03 0.77622E+00 -0.13357E-01 8072 0.237E+01 0.224E-01 RMM: 2 -0.320160392885E+03 -0.23366E-01 -0.15735E-01 4891 0.901E-01 0.117E+00 RMM: 3 -0.320150520236E+03 0.98726E-02 -0.17308E-02 5838 0.260E-01 0.211E-01 RMM: 4 -0.320150032572E+03 0.48766E-03 -0.10194E-03 4942 0.686E-02 0.931E-02 RMM: 5 -0.320149982663E+03 0.49909E-04 -0.13943E-04 3933 0.298E-02 0.825E-02 RMM: 6 -0.320149943694E+03 0.38969E-04 -0.32913E-05 2803 0.169E-02 0.489E-02 RMM: 7 -0.320149943630E+03 0.64625E-07 -0.24176E-05 2552 0.149E-02 5891 T= 6140. E= 0.67569141E+03 F= 0.63611905E+03 E0= 0.66496662E+03 EK= 0.50004E+02 SP= -.11E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319386802083E+03 0.76314E+00 -0.13558E-01 8256 0.236E+01 0.188E-01 RMM: 2 -0.319405146107E+03 -0.18344E-01 -0.15058E-01 4862 0.885E-01 0.827E-01 RMM: 3 -0.319399992010E+03 0.51541E-02 -0.16616E-02 5998 0.240E-01 0.152E-01 RMM: 4 -0.319399602585E+03 0.38943E-03 -0.76303E-04 4933 0.616E-02 0.102E-01 RMM: 5 -0.319399550761E+03 0.51824E-04 -0.11114E-04 3739 0.293E-02 0.682E-02 RMM: 6 -0.319399524275E+03 0.26486E-04 -0.27029E-05 2590 0.155E-02 0.374E-02 RMM: 7 -0.319399526912E+03 -0.26378E-05 -0.18837E-05 2509 0.137E-02 5892 T= 6028. E= 0.67569343E+03 F= 0.63686946E+03 E0= 0.66570272E+03 EK= 0.49085E+02 SP= -.10E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318677392505E+03 0.72213E+00 -0.13994E-01 7992 0.235E+01 0.186E-01 RMM: 2 -0.318697405967E+03 -0.20013E-01 -0.17290E-01 4779 0.958E-01 0.791E-01 RMM: 3 -0.318692854570E+03 0.45514E-02 -0.20006E-02 6139 0.249E-01 0.152E-01 RMM: 4 -0.318692377260E+03 0.47731E-03 -0.81880E-04 4831 0.683E-02 0.124E-01 RMM: 5 -0.318692283209E+03 0.94051E-04 -0.12744E-04 3835 0.301E-02 0.755E-02 RMM: 6 -0.318692251332E+03 0.31877E-04 -0.32243E-05 2823 0.169E-02 0.397E-02 RMM: 7 -0.318692249170E+03 0.21628E-05 -0.18799E-05 2509 0.135E-02 5893 T= 5922. E= 0.67569537E+03 F= 0.63757674E+03 E0= 0.66639582E+03 EK= 0.48229E+02 SP= -.10E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318042019059E+03 0.65023E+00 -0.13757E-01 8000 0.233E+01 0.183E-01 RMM: 2 -0.318062122122E+03 -0.20103E-01 -0.16670E-01 4776 0.945E-01 0.838E-01 RMM: 3 -0.318056962438E+03 0.51597E-02 -0.19352E-02 6091 0.249E-01 0.168E-01 RMM: 4 -0.318056437053E+03 0.52538E-03 -0.77544E-04 4937 0.647E-02 0.917E-02 RMM: 5 -0.318056391730E+03 0.45323E-04 -0.11463E-04 3815 0.289E-02 0.701E-02 RMM: 6 -0.318056366272E+03 0.25458E-04 -0.28152E-05 2602 0.158E-02 0.443E-02 RMM: 7 -0.318056367842E+03 -0.15698E-05 -0.25600E-05 2554 0.156E-02 5894 T= 5829. E= 0.67569687E+03 F= 0.63821262E+03 E0= 0.66702005E+03 EK= 0.47466E+02 SP= -.10E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317504671421E+03 0.55169E+00 -0.13067E-01 8032 0.232E+01 0.192E-01 RMM: 2 -0.317523308725E+03 -0.18637E-01 -0.15143E-01 4842 0.901E-01 0.853E-01 RMM: 3 -0.317518033444E+03 0.52753E-02 -0.17365E-02 6055 0.238E-01 0.178E-01 RMM: 4 -0.317517568560E+03 0.46488E-03 -0.80506E-04 4807 0.667E-02 0.107E-01 RMM: 5 -0.317517504040E+03 0.64520E-04 -0.11927E-04 3767 0.276E-02 0.765E-02 RMM: 6 -0.317517471392E+03 0.32648E-04 -0.28388E-05 2723 0.163E-02 0.370E-02 RMM: 7 -0.317517471848E+03 -0.45557E-06 -0.15585E-05 2495 0.124E-02 5895 T= 5750. E= 0.67569842E+03 F= 0.63875152E+03 E0= 0.66755338E+03 EK= 0.46825E+02 SP= -.99E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317088799464E+03 0.42867E+00 -0.12595E-01 7976 0.230E+01 0.177E-01 RMM: 2 -0.317105344607E+03 -0.16545E-01 -0.13774E-01 4912 0.846E-01 0.781E-01 RMM: 3 -0.317100855169E+03 0.44894E-02 -0.15335E-02 6062 0.224E-01 0.160E-01 RMM: 4 -0.317100455531E+03 0.39964E-03 -0.66305E-04 4814 0.590E-02 0.102E-01 RMM: 5 -0.317100395901E+03 0.59631E-04 -0.10176E-04 3653 0.270E-02 0.723E-02 RMM: 6 -0.317100366840E+03 0.29061E-04 -0.27998E-05 2669 0.161E-02 0.431E-02 RMM: 7 -0.317100363931E+03 0.29091E-05 -0.26484E-05 2568 0.157E-02 5896 T= 5690. E= 0.67569995E+03 F= 0.63916863E+03 E0= 0.66797302E+03 EK= 0.46332E+02 SP= -.98E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316820538793E+03 0.27983E+00 -0.12660E-01 8056 0.229E+01 0.185E-01 RMM: 2 -0.316836773088E+03 -0.16234E-01 -0.13260E-01 4910 0.839E-01 0.801E-01 RMM: 3 -0.316832110061E+03 0.46630E-02 -0.14957E-02 6026 0.222E-01 0.175E-01 RMM: 4 -0.316831687968E+03 0.42209E-03 -0.72042E-04 4763 0.620E-02 0.953E-02 RMM: 5 -0.316831637425E+03 0.50542E-04 -0.10319E-04 3755 0.255E-02 0.744E-02 RMM: 6 -0.316831607501E+03 0.29925E-04 -0.25575E-05 2591 0.157E-02 0.371E-02 RMM: 7 -0.316831608098E+03 -0.59785E-06 -0.16120E-05 2500 0.123E-02 5897 T= 5651. E= 0.67570169E+03 F= 0.63943738E+03 E0= 0.66825399E+03 EK= 0.46016E+02 SP= -.98E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316731503854E+03 0.10010E+00 -0.12031E-01 8040 0.228E+01 0.181E-01 RMM: 2 -0.316746985149E+03 -0.15481E-01 -0.12201E-01 4952 0.796E-01 0.827E-01 RMM: 3 -0.316741982800E+03 0.50023E-02 -0.13102E-02 5924 0.216E-01 0.182E-01 RMM: 4 -0.316741597270E+03 0.38553E-03 -0.67844E-04 4783 0.583E-02 0.892E-02 RMM: 5 -0.316741557134E+03 0.40136E-04 -0.10106E-04 3669 0.264E-02 0.737E-02 RMM: 6 -0.316741525777E+03 0.31356E-04 -0.26632E-05 2647 0.158E-02 0.416E-02 RMM: 7 -0.316741525966E+03 -0.18893E-06 -0.21768E-05 2545 0.141E-02 5898 T= 5637. E= 0.67570357E+03 F= 0.63952746E+03 E0= 0.66836448E+03 EK= 0.45907E+02 SP= -.97E+01 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.316852889625E+03 -0.11136E+00 -0.11589E-01 7864 0.228E+01 0.191E-01 RMM: 2 -0.316868992430E+03 -0.16103E-01 -0.11922E-01 4862 0.802E-01 0.903E-01 RMM: 3 -0.316863177714E+03 0.58147E-02 -0.13512E-02 5843 0.226E-01 0.185E-01 RMM: 4 -0.316862809765E+03 0.36795E-03 -0.77758E-04 4736 0.621E-02 0.894E-02 RMM: 5 -0.316862770646E+03 0.39119E-04 -0.10807E-04 3854 0.261E-02 0.785E-02 RMM: 6 -0.316862736112E+03 0.34535E-04 -0.26170E-05 2575 0.158E-02 0.389E-02 RMM: 7 -0.316862737573E+03 -0.14618E-05 -0.16728E-05 2511 0.126E-02 5899 T= 5653. E= 0.67570557E+03 F= 0.63940625E+03 E0= 0.66826986E+03 EK= 0.46038E+02 SP= -.97E+01 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317218221509E+03 -0.35549E+00 -0.11577E-01 7928 0.228E+01 0.200E-01 RMM: 2 -0.317234543671E+03 -0.16322E-01 -0.11884E-01 4842 0.813E-01 0.929E-01 RMM: 3 -0.317228409984E+03 0.61337E-02 -0.13669E-02 5810 0.232E-01 0.196E-01 RMM: 4 -0.317228020373E+03 0.38961E-03 -0.80315E-04 4814 0.620E-02 0.926E-02 RMM: 5 -0.317227986667E+03 0.33706E-04 -0.11595E-04 3734 0.289E-02 0.814E-02 RMM: 6 -0.317227946118E+03 0.40549E-04 -0.30417E-05 2757 0.167E-02 0.434E-02 RMM: 7 -0.317227948307E+03 -0.21885E-05 -0.24955E-05 2587 0.151E-02 5900 T= 5703. E= 0.67570730E+03 F= 0.63904104E+03 E0= 0.66793293E+03 EK= 0.46441E+02 SP= -.98E+01 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317854814635E+03 -0.62687E+00 -0.11576E-01 7688 0.228E+01 0.207E-01 RMM: 2 -0.317872931687E+03 -0.18117E-01 -0.12239E-01 4793 0.831E-01 0.103E+00 RMM: 3 -0.317865380540E+03 0.75511E-02 -0.14494E-02 5685 0.243E-01 0.203E-01 RMM: 4 -0.317865004515E+03 0.37602E-03 -0.94517E-04 4758 0.678E-02 0.951E-02 RMM: 5 -0.317864968496E+03 0.36019E-04 -0.13469E-04 3908 0.291E-02 0.858E-02 RMM: 6 -0.317864924215E+03 0.44281E-04 -0.32080E-05 2758 0.172E-02 0.407E-02 RMM: 7 -0.317864927699E+03 -0.34842E-05 -0.20784E-05 2527 0.142E-02 5901 T= 5789. E= 0.67570789E+03 F= 0.63840406E+03 E0= 0.66732292E+03 EK= 0.47142E+02 SP= -.99E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318776373669E+03 -0.91145E+00 -0.11580E-01 7720 0.229E+01 0.201E-01 RMM: 2 -0.318791766467E+03 -0.15393E-01 -0.10506E-01 4920 0.768E-01 0.971E-01 RMM: 3 -0.318785337438E+03 0.64290E-02 -0.12091E-02 5661 0.224E-01 0.204E-01 RMM: 4 -0.318784990590E+03 0.34685E-03 -0.81506E-04 4728 0.627E-02 0.975E-02 RMM: 5 -0.318784952909E+03 0.37681E-04 -0.12402E-04 3801 0.297E-02 0.836E-02 RMM: 6 -0.318784910135E+03 0.42774E-04 -0.33360E-05 2895 0.175E-02 0.426E-02 RMM: 7 -0.318784915483E+03 -0.53482E-05 -0.25642E-05 2571 0.155E-02 5902 T= 5913. E= 0.67570664E+03 F= 0.63748407E+03 E0= 0.66642437E+03 EK= 0.48150E+02 SP= -.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319963499177E+03 -0.11786E+01 -0.12029E-01 7680 0.231E+01 0.198E-01 RMM: 2 -0.319980092911E+03 -0.16594E-01 -0.11861E-01 4822 0.830E-01 0.955E-01 RMM: 3 -0.319973796968E+03 0.62959E-02 -0.14190E-02 5731 0.236E-01 0.184E-01 RMM: 4 -0.319973470197E+03 0.32677E-03 -0.86188E-04 4757 0.659E-02 0.104E-01 RMM: 5 -0.319973414356E+03 0.55841E-04 -0.12503E-04 3773 0.296E-02 0.788E-02 RMM: 6 -0.319973379802E+03 0.34554E-04 -0.31683E-05 2734 0.170E-02 0.420E-02 RMM: 7 -0.319973383941E+03 -0.41395E-05 -0.20381E-05 2524 0.143E-02 5903 T= 6072. E= 0.67570306E+03 F= 0.63629561E+03 E0= 0.66525054E+03 EK= 0.49447E+02 SP= -.10E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321374546943E+03 -0.14012E+01 -0.11984E-01 7728 0.234E+01 0.188E-01 RMM: 2 -0.321389084066E+03 -0.14537E-01 -0.11219E-01 4970 0.794E-01 0.840E-01 RMM: 3 -0.321384209626E+03 0.48744E-02 -0.12693E-02 5768 0.219E-01 0.175E-01 RMM: 4 -0.321383914081E+03 0.29555E-03 -0.71445E-04 4785 0.596E-02 0.109E-01 RMM: 5 -0.321383851565E+03 0.62516E-04 -0.11469E-04 3769 0.298E-02 0.770E-02 RMM: 6 -0.321383817341E+03 0.34223E-04 -0.31181E-05 2818 0.169E-02 0.456E-02 RMM: 7 -0.321383818378E+03 -0.10369E-05 -0.30100E-05 2597 0.171E-02 5904 T= 6261. E= 0.67569709E+03 F= 0.63488517E+03 E0= 0.66384643E+03 EK= 0.50983E+02 SP= -.10E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322928851077E+03 -0.15450E+01 -0.12594E-01 7872 0.238E+01 0.186E-01 RMM: 2 -0.322943303946E+03 -0.14453E-01 -0.11443E-01 4987 0.805E-01 0.810E-01 RMM: 3 -0.322938694265E+03 0.46097E-02 -0.12817E-02 5851 0.219E-01 0.168E-01 RMM: 4 -0.322938408411E+03 0.28585E-03 -0.71572E-04 4744 0.615E-02 0.115E-01 RMM: 5 -0.322938322521E+03 0.85890E-04 -0.11648E-04 3730 0.293E-02 0.714E-02 RMM: 6 -0.322938298833E+03 0.23688E-04 -0.28349E-05 2666 0.161E-02 0.483E-02 RMM: 7 -0.322938298827E+03 0.60190E-08 -0.24197E-05 2541 0.155E-02 5905 T= 6468. E= 0.67568952E+03 F= 0.63333069E+03 E0= 0.66229131E+03 EK= 0.52674E+02 SP= -.10E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324525954416E+03 -0.15877E+01 -0.14007E-01 8104 0.241E+01 0.197E-01 RMM: 2 -0.324544480066E+03 -0.18526E-01 -0.15146E-01 4896 0.915E-01 0.862E-01 RMM: 3 -0.324539319843E+03 0.51602E-02 -0.17534E-02 5986 0.244E-01 0.170E-01 RMM: 4 -0.324538915108E+03 0.40474E-03 -0.83890E-04 4843 0.662E-02 0.122E-01 RMM: 5 -0.324538822079E+03 0.93029E-04 -0.13185E-04 3858 0.323E-02 0.723E-02 RMM: 6 -0.324538798613E+03 0.23466E-04 -0.30686E-05 2675 0.164E-02 0.547E-02 RMM: 7 -0.324538795811E+03 0.28028E-05 -0.32057E-05 2631 0.174E-02 5906 T= 6682. E= 0.67568184E+03 F= 0.63173019E+03 E0= 0.66068307E+03 EK= 0.54416E+02 SP= -.11E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326073788085E+03 -0.15350E+01 -0.14407E-01 8072 0.245E+01 0.201E-01 RMM: 2 -0.326092499737E+03 -0.18712E-01 -0.15289E-01 5017 0.896E-01 0.875E-01 RMM: 3 -0.326086995212E+03 0.55045E-02 -0.16458E-02 5966 0.238E-01 0.167E-01 RMM: 4 -0.326086635911E+03 0.35930E-03 -0.84935E-04 4796 0.657E-02 0.132E-01 RMM: 5 -0.326086521882E+03 0.11403E-03 -0.13353E-04 3832 0.318E-02 0.713E-02 RMM: 6 -0.326086503017E+03 0.18865E-04 -0.30088E-05 2698 0.161E-02 5907 T= 6890. E= 0.67567499E+03 F= 0.63018249E+03 E0= 0.65912148E+03 EK= 0.56105E+02 SP= -.11E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327485814169E+03 -0.13993E+01 -0.14871E-01 8312 0.248E+01 0.273E-01 RMM: 2 -0.327515464464E+03 -0.29650E-01 -0.14553E-01 5113 0.863E-01 0.159E+00 RMM: 3 -0.327497935656E+03 0.17529E-01 -0.15952E-02 5462 0.275E-01 0.281E-01 RMM: 4 -0.327497355895E+03 0.57976E-03 -0.14485E-03 4841 0.785E-02 0.110E-01 RMM: 5 -0.327497287890E+03 0.68005E-04 -0.16837E-04 3940 0.335E-02 0.893E-02 RMM: 6 -0.327497254210E+03 0.33680E-04 -0.34225E-05 2754 0.172E-02 0.759E-02 RMM: 7 -0.327497264135E+03 -0.99252E-05 -0.54636E-05 3299 0.210E-02 5908 T= 7079. E= 0.67566998E+03 F= 0.62877173E+03 E0= 0.65769104E+03 EK= 0.57646E+02 SP= -.11E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328703649241E+03 -0.12064E+01 -0.15382E-01 8024 0.250E+01 0.262E-01 RMM: 2 -0.328726697545E+03 -0.23048E-01 -0.15285E-01 5163 0.875E-01 0.121E+00 RMM: 3 -0.328716202364E+03 0.10495E-01 -0.15272E-02 5589 0.258E-01 0.271E-01 RMM: 4 -0.328715724025E+03 0.47834E-03 -0.14389E-03 4832 0.839E-02 0.149E-01 RMM: 5 -0.328715606039E+03 0.11799E-03 -0.21809E-04 3900 0.363E-02 0.100E-01 RMM: 6 -0.328715548212E+03 0.57827E-04 -0.50315E-05 3215 0.211E-02 0.436E-02 RMM: 7 -0.328715552775E+03 -0.45630E-05 -0.22874E-05 2559 0.144E-02 5909 T= 7242. E= 0.67566719E+03 F= 0.62755344E+03 E0= 0.65644797E+03 EK= 0.58976E+02 SP= -.11E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329703530431E+03 -0.98798E+00 -0.16939E-01 8344 0.252E+01 0.244E-01 RMM: 2 -0.329728843816E+03 -0.25313E-01 -0.17241E-01 5148 0.911E-01 0.121E+00 RMM: 3 -0.329718016327E+03 0.10827E-01 -0.16939E-02 5698 0.262E-01 0.220E-01 RMM: 4 -0.329717570447E+03 0.44588E-03 -0.11570E-03 4891 0.712E-02 0.123E-01 RMM: 5 -0.329717482077E+03 0.88369E-04 -0.16369E-04 3907 0.344E-02 0.857E-02 RMM: 6 -0.329717442414E+03 0.39663E-04 -0.45712E-05 3074 0.193E-02 0.646E-02 RMM: 7 -0.329717446779E+03 -0.43644E-05 -0.52964E-05 3157 0.201E-02 5910 T= 7376. E= 0.67566624E+03 F= 0.62655154E+03 E0= 0.65541389E+03 EK= 0.60063E+02 SP= -.11E+02 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330490746115E+03 -0.77330E+00 -0.18074E-01 8432 0.253E+01 0.211E-01 RMM: 2 -0.330512855559E+03 -0.22109E-01 -0.18075E-01 5105 0.928E-01 0.908E-01 RMM: 3 -0.330506042113E+03 0.68134E-02 -0.16661E-02 6004 0.254E-01 0.161E-01 RMM: 4 -0.330505751017E+03 0.29110E-03 -0.90081E-04 4864 0.655E-02 0.138E-01 RMM: 5 -0.330505644950E+03 0.10607E-03 -0.13845E-04 3823 0.329E-02 0.786E-02 RMM: 6 -0.330505613786E+03 0.31164E-04 -0.37396E-05 2958 0.180E-02 0.505E-02 RMM: 7 -0.330505622240E+03 -0.84545E-05 -0.39147E-05 2753 0.187E-02 5911 T= 7478. E= 0.67566573E+03 F= 0.62576337E+03 E0= 0.65458926E+03 EK= 0.60899E+02 SP= -.11E+02 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331081779558E+03 -0.57617E+00 -0.19482E-01 8432 0.254E+01 0.201E-01 RMM: 2 -0.331105813919E+03 -0.24034E-01 -0.21775E-01 4957 0.103E+00 0.743E-01 RMM: 3 -0.331100813668E+03 0.50003E-02 -0.21291E-02 6273 0.269E-01 0.163E-01 RMM: 4 -0.331100366429E+03 0.44724E-03 -0.92453E-04 4752 0.727E-02 0.151E-01 RMM: 5 -0.331100237013E+03 0.12942E-03 -0.16438E-04 3949 0.363E-02 0.829E-02 RMM: 6 -0.331100197117E+03 0.39896E-04 -0.44161E-05 3067 0.195E-02 0.495E-02 RMM: 7 -0.331100200015E+03 -0.28977E-05 -0.41281E-05 2775 0.191E-02 5912 T= 7552. E= 0.67566615E+03 F= 0.62516879E+03 E0= 0.65395289E+03 EK= 0.61499E+02 SP= -.11E+02 SK= 0.46E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331514362125E+03 -0.41417E+00 -0.19414E-01 8544 0.254E+01 0.196E-01 RMM: 2 -0.331539154689E+03 -0.24793E-01 -0.22071E-01 5117 0.101E+00 0.781E-01 RMM: 3 -0.331533366634E+03 0.57881E-02 -0.20108E-02 6319 0.262E-01 0.153E-01 RMM: 4 -0.331532962667E+03 0.40397E-03 -0.86696E-04 4772 0.688E-02 0.137E-01 RMM: 5 -0.331532849724E+03 0.11294E-03 -0.13630E-04 3836 0.328E-02 0.762E-02 RMM: 6 -0.331532824156E+03 0.25569E-04 -0.37070E-05 2937 0.180E-02 0.537E-02 RMM: 7 -0.331532835031E+03 -0.10875E-04 -0.52364E-05 3160 0.201E-02 5913 T= 7600. E= 0.67566669E+03 F= 0.62473615E+03 E0= 0.65347612E+03 EK= 0.61891E+02 SP= -.11E+02 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331817318087E+03 -0.28449E+00 -0.20681E-01 8320 0.255E+01 0.196E-01 RMM: 2 -0.331844060944E+03 -0.26743E-01 -0.24813E-01 5052 0.109E+00 0.704E-01 RMM: 3 -0.331838991188E+03 0.50698E-02 -0.22814E-02 6308 0.276E-01 0.136E-01 RMM: 4 -0.331838608693E+03 0.38250E-03 -0.94540E-04 4816 0.728E-02 0.160E-01 RMM: 5 -0.331838456541E+03 0.15215E-03 -0.15681E-04 3953 0.363E-02 0.731E-02 RMM: 6 -0.331838428618E+03 0.27924E-04 -0.39144E-05 2976 0.185E-02 0.462E-02 RMM: 7 -0.331838433411E+03 -0.47937E-05 -0.31535E-05 2621 0.172E-02 5914 T= 7627. E= 0.67566752E+03 F= 0.62443056E+03 E0= 0.65312523E+03 EK= 0.62107E+02 SP= -.11E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332031622055E+03 -0.19319E+00 -0.19826E-01 8584 0.255E+01 0.188E-01 RMM: 2 -0.332055665157E+03 -0.24043E-01 -0.21671E-01 5197 0.995E-01 0.742E-01 RMM: 3 -0.332050362148E+03 0.53030E-02 -0.18297E-02 6322 0.255E-01 0.142E-01 RMM: 4 -0.332050016972E+03 0.34518E-03 -0.77114E-04 4763 0.647E-02 0.137E-01 RMM: 5 -0.332049895095E+03 0.12188E-03 -0.12603E-04 3776 0.317E-02 0.703E-02 RMM: 6 -0.332049875653E+03 0.19442E-04 -0.34994E-05 2886 0.174E-02 5915 T= 7635. E= 0.67566856E+03 F= 0.62421911E+03 E0= 0.65286856E+03 EK= 0.62178E+02 SP= -.11E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332178504713E+03 -0.12861E+00 -0.19374E-01 8624 0.255E+01 0.279E-01 RMM: 2 -0.332216520644E+03 -0.38016E-01 -0.21347E-01 5187 0.990E-01 0.164E+00 RMM: 3 -0.332196317439E+03 0.20203E-01 -0.19281E-02 5533 0.296E-01 0.242E-01 RMM: 4 -0.332195830380E+03 0.48706E-03 -0.16071E-03 4993 0.825E-02 0.109E-01 RMM: 5 -0.332195769073E+03 0.61307E-04 -0.19532E-04 4243 0.325E-02 0.872E-02 RMM: 6 -0.332195730924E+03 0.38149E-04 -0.36434E-05 2907 0.177E-02 0.591E-02 RMM: 7 -0.332195749022E+03 -0.18098E-04 -0.50831E-05 3213 0.204E-02 5916 T= 7630. E= 0.67566932E+03 F= 0.62407324E+03 E0= 0.65267778E+03 EK= 0.62132E+02 SP= -.11E+02 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332286773875E+03 -0.91043E-01 -0.18961E-01 8560 0.255E+01 0.261E-01 RMM: 2 -0.332317729559E+03 -0.30956E-01 -0.20205E-01 5169 0.970E-01 0.134E+00 RMM: 3 -0.332303544714E+03 0.14185E-01 -0.17551E-02 5555 0.285E-01 0.258E-01 RMM: 4 -0.332303083740E+03 0.46097E-03 -0.16072E-03 5032 0.876E-02 0.127E-01 RMM: 5 -0.332303017438E+03 0.66301E-04 -0.21800E-04 4035 0.333E-02 0.105E-01 RMM: 6 -0.332302947015E+03 0.70424E-04 -0.43635E-05 3091 0.196E-02 0.381E-02 RMM: 7 -0.332302952569E+03 -0.55547E-05 -0.22826E-05 2548 0.142E-02 5917 T= 7613. E= 0.67566996E+03 F= 0.62396604E+03 E0= 0.65252757E+03 EK= 0.61997E+02 SP= -.10E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332380256476E+03 -0.77309E-01 -0.18737E-01 8488 0.255E+01 0.239E-01 RMM: 2 -0.332410012909E+03 -0.29756E-01 -0.21367E-01 5173 0.990E-01 0.122E+00 RMM: 3 -0.332398291289E+03 0.11722E-01 -0.18668E-02 5851 0.273E-01 0.207E-01 RMM: 4 -0.332397828438E+03 0.46285E-03 -0.11219E-03 4925 0.718E-02 0.114E-01 RMM: 5 -0.332397757018E+03 0.71420E-04 -0.15715E-04 3916 0.326E-02 0.863E-02 RMM: 6 -0.332397716472E+03 0.40546E-04 -0.42701E-05 3057 0.189E-02 0.556E-02 RMM: 7 -0.332397724712E+03 -0.82400E-05 -0.41422E-05 2837 0.185E-02 5918 T= 7589. E= 0.67567078E+03 F= 0.62387126E+03 E0= 0.65239040E+03 EK= 0.61800E+02 SP= -.10E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332489995153E+03 -0.92279E-01 -0.18407E-01 8312 0.255E+01 0.211E-01 RMM: 2 -0.332514772861E+03 -0.24778E-01 -0.20132E-01 5071 0.979E-01 0.938E-01 RMM: 3 -0.332507461063E+03 0.73118E-02 -0.18632E-02 6131 0.262E-01 0.189E-01 RMM: 4 -0.332507003234E+03 0.45783E-03 -0.94437E-04 4754 0.718E-02 0.123E-01 RMM: 5 -0.332506913777E+03 0.89457E-04 -0.14389E-04 3819 0.320E-02 0.757E-02 RMM: 6 -0.332506882769E+03 0.31008E-04 -0.33463E-05 2868 0.174E-02 0.447E-02 RMM: 7 -0.332506886314E+03 -0.35452E-05 -0.26727E-05 2574 0.159E-02 5919 T= 7561. E= 0.67567176E+03 F= 0.62376210E+03 E0= 0.65224048E+03 EK= 0.61571E+02 SP= -.99E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332641476543E+03 -0.13459E+00 -0.18353E-01 8224 0.254E+01 0.183E-01 RMM: 2 -0.332665776924E+03 -0.24300E-01 -0.21249E-01 5044 0.101E+00 0.799E-01 RMM: 3 -0.332660107441E+03 0.56695E-02 -0.19556E-02 6293 0.261E-01 0.165E-01 RMM: 4 -0.332659659642E+03 0.44780E-03 -0.80665E-04 4771 0.680E-02 0.123E-01 RMM: 5 -0.332659558729E+03 0.10091E-03 -0.12696E-04 3763 0.310E-02 0.773E-02 RMM: 6 -0.332659530927E+03 0.27802E-04 -0.33604E-05 2834 0.173E-02 0.545E-02 RMM: 7 -0.332659528907E+03 0.20193E-05 -0.48230E-05 2948 0.187E-02 5920 T= 7532. E= 0.67567286E+03 F= 0.62360946E+03 E0= 0.65204962E+03 EK= 0.61339E+02 SP= -.95E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332871868924E+03 -0.21234E+00 -0.16813E-01 8368 0.253E+01 0.212E-01 RMM: 2 -0.332894922596E+03 -0.23054E-01 -0.18656E-01 4972 0.960E-01 0.922E-01 RMM: 3 -0.332888129854E+03 0.67927E-02 -0.18375E-02 6119 0.261E-01 0.198E-01 RMM: 4 -0.332887637882E+03 0.49197E-03 -0.89346E-04 4760 0.699E-02 0.112E-01 RMM: 5 -0.332887566446E+03 0.71436E-04 -0.13413E-04 3785 0.312E-02 0.789E-02 RMM: 6 -0.332887534523E+03 0.31923E-04 -0.35851E-05 2918 0.180E-02 0.491E-02 RMM: 7 -0.332887540771E+03 -0.62484E-05 -0.30046E-05 2609 0.166E-02 5921 T= 7508. E= 0.67567414E+03 F= 0.62338145E+03 E0= 0.65178674E+03 EK= 0.61138E+02 SP= -.92E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333205969359E+03 -0.31843E+00 -0.16049E-01 8232 0.253E+01 0.180E-01 RMM: 2 -0.333226173064E+03 -0.20204E-01 -0.17721E-01 5108 0.911E-01 0.743E-01 RMM: 3 -0.333221059967E+03 0.51131E-02 -0.15616E-02 6158 0.240E-01 0.154E-01 RMM: 4 -0.333220756660E+03 0.30331E-03 -0.71358E-04 4726 0.623E-02 0.123E-01 RMM: 5 -0.333220654476E+03 0.10218E-03 -0.11209E-04 3696 0.297E-02 0.716E-02 RMM: 6 -0.333220633139E+03 0.21337E-04 -0.29772E-05 2678 0.164E-02 0.548E-02 RMM: 7 -0.333220631612E+03 0.15270E-05 -0.46091E-05 2914 0.182E-02 5922 T= 7491. E= 0.67567420E+03 F= 0.62304836E+03 E0= 0.65142316E+03 EK= 0.60998E+02 SP= -.87E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333659907624E+03 -0.43927E+00 -0.15416E-01 8096 0.252E+01 0.204E-01 RMM: 2 -0.333682013973E+03 -0.22106E-01 -0.17527E-01 5021 0.924E-01 0.917E-01 RMM: 3 -0.333674956261E+03 0.70577E-02 -0.16706E-02 5957 0.250E-01 0.189E-01 RMM: 4 -0.333674551917E+03 0.40434E-03 -0.88026E-04 4780 0.680E-02 0.114E-01 RMM: 5 -0.333674480584E+03 0.71333E-04 -0.13204E-04 3800 0.315E-02 0.800E-02 RMM: 6 -0.333674445506E+03 0.35078E-04 -0.36450E-05 2945 0.182E-02 0.473E-02 RMM: 7 -0.333674450607E+03 -0.51013E-05 -0.26826E-05 2590 0.157E-02 5923 T= 7483. E= 0.67567302E+03 F= 0.62259454E+03 E0= 0.65094309E+03 EK= 0.60935E+02 SP= -.83E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334230456521E+03 -0.55601E+00 -0.14770E-01 8464 0.252E+01 0.185E-01 RMM: 2 -0.334248185828E+03 -0.17729E-01 -0.14492E-01 5239 0.820E-01 0.808E-01 RMM: 3 -0.334242314891E+03 0.58709E-02 -0.11436E-02 5749 0.222E-01 0.167E-01 RMM: 4 -0.334242100268E+03 0.21462E-03 -0.73658E-04 4828 0.583E-02 0.103E-01 RMM: 5 -0.334242030625E+03 0.69643E-04 -0.97377E-05 3688 0.269E-02 0.728E-02 RMM: 6 -0.334242006368E+03 0.24257E-04 -0.27586E-05 2648 0.159E-02 0.503E-02 RMM: 7 -0.334242011718E+03 -0.53501E-05 -0.32980E-05 2665 0.160E-02 5924 T= 7483. E= 0.67566946E+03 F= 0.62202698E+03 E0= 0.65035349E+03 EK= 0.60940E+02 SP= -.78E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334870252318E+03 -0.62825E+00 -0.15288E-01 8416 0.252E+01 0.174E-01 RMM: 2 -0.334888528842E+03 -0.18277E-01 -0.15367E-01 5121 0.853E-01 0.758E-01 RMM: 3 -0.334883207721E+03 0.53211E-02 -0.13424E-02 5850 0.231E-01 0.147E-01 RMM: 4 -0.334882989742E+03 0.21798E-03 -0.73103E-04 4770 0.607E-02 0.121E-01 RMM: 5 -0.334882901327E+03 0.88415E-04 -0.11052E-04 3723 0.305E-02 0.678E-02 RMM: 6 -0.334882877184E+03 0.24143E-04 -0.29428E-05 2721 0.164E-02 0.406E-02 RMM: 7 -0.334882881148E+03 -0.39640E-05 -0.22434E-05 2545 0.144E-02 5925 T= 7487. E= 0.67566380E+03 F= 0.62138611E+03 E0= 0.64969369E+03 EK= 0.60973E+02 SP= -.73E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335510663125E+03 -0.62779E+00 -0.14947E-01 8816 0.253E+01 0.167E-01 RMM: 2 -0.335527074815E+03 -0.16412E-01 -0.14245E-01 5317 0.792E-01 0.693E-01 RMM: 3 -0.335522180422E+03 0.48944E-02 -0.10800E-02 5840 0.210E-01 0.128E-01 RMM: 4 -0.335522047477E+03 0.13295E-03 -0.64485E-04 4752 0.542E-02 0.116E-01 RMM: 5 -0.335521951594E+03 0.95883E-04 -0.86355E-05 3583 0.260E-02 0.664E-02 RMM: 6 -0.335521932438E+03 0.19156E-04 -0.25576E-05 2574 0.152E-02 5926 T= 7486. E= 0.67565668E+03 F= 0.62074706E+03 E0= 0.64903726E+03 EK= 0.60958E+02 SP= -.67E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336046193122E+03 -0.52424E+00 -0.15991E-01 8760 0.253E+01 0.182E-01 RMM: 2 -0.336067152131E+03 -0.20959E-01 -0.15293E-01 5519 0.804E-01 0.977E-01 RMM: 3 -0.336058694988E+03 0.84571E-02 -0.11252E-02 5519 0.223E-01 0.170E-01 RMM: 4 -0.336058499435E+03 0.19555E-03 -0.86187E-04 4947 0.595E-02 0.105E-01 RMM: 5 -0.336058417963E+03 0.81472E-04 -0.88493E-05 3735 0.253E-02 0.666E-02 RMM: 6 -0.336058407922E+03 0.10041E-04 -0.23344E-05 2560 0.144E-02 5927 T= 7466. E= 0.67564956E+03 F= 0.62021058E+03 E0= 0.64848399E+03 EK= 0.60799E+02 SP= -.61E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336376342586E+03 -0.31792E+00 -0.16984E-01 8736 0.253E+01 0.336E-01 RMM: 2 -0.336415124859E+03 -0.38782E-01 -0.16680E-01 5266 0.866E-01 0.186E+00 RMM: 3 -0.336389176400E+03 0.25948E-01 -0.17175E-02 5411 0.299E-01 0.313E-01 RMM: 4 -0.336388429358E+03 0.74704E-03 -0.19585E-03 4907 0.911E-02 0.107E-01 RMM: 5 -0.336388379051E+03 0.50307E-04 -0.22060E-04 4098 0.338E-02 0.971E-02 RMM: 6 -0.336388327848E+03 0.51203E-04 -0.37626E-05 2945 0.188E-02 0.556E-02 RMM: 7 -0.336388341593E+03 -0.13745E-04 -0.29978E-05 2624 0.161E-02 5928 T= 7416. E= 0.67564291E+03 F= 0.61988065E+03 E0= 0.64813669E+03 EK= 0.60394E+02 SP= -.55E+01 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336408502169E+03 -0.20174E-01 -0.17988E-01 8952 0.253E+01 0.247E-01 RMM: 2 -0.336433898046E+03 -0.25396E-01 -0.18422E-01 5329 0.873E-01 0.109E+00 RMM: 3 -0.336423529237E+03 0.10369E-01 -0.15007E-02 5442 0.268E-01 0.251E-01 RMM: 4 -0.336423177071E+03 0.35217E-03 -0.15196E-03 4928 0.803E-02 0.144E-01 RMM: 5 -0.336423043638E+03 0.13343E-03 -0.19566E-04 3918 0.357E-02 0.898E-02 RMM: 6 -0.336422996307E+03 0.47331E-04 -0.42243E-05 3050 0.193E-02 0.437E-02 RMM: 7 -0.336423000275E+03 -0.39680E-05 -0.26245E-05 2613 0.155E-02 5929 T= 7327. E= 0.67563841E+03 F= 0.61984599E+03 E0= 0.64808360E+03 EK= 0.59664E+02 SP= -.48E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336093530152E+03 0.32947E+00 -0.18502E-01 8992 0.251E+01 0.211E-01 RMM: 2 -0.336118219595E+03 -0.24689E-01 -0.20265E-01 5336 0.921E-01 0.937E-01 RMM: 3 -0.336110527654E+03 0.76919E-02 -0.16056E-02 5988 0.240E-01 0.152E-01 RMM: 4 -0.336110218102E+03 0.30955E-03 -0.90662E-04 4952 0.635E-02 0.134E-01 RMM: 5 -0.336110103208E+03 0.11489E-03 -0.12283E-04 3805 0.294E-02 0.758E-02 RMM: 6 -0.336110080778E+03 0.22430E-04 -0.29007E-05 2624 0.159E-02 0.617E-02 RMM: 7 -0.336110073811E+03 0.69675E-05 -0.52148E-05 3036 0.185E-02 5930 T= 7192. E= 0.67563747E+03 F= 0.62015892E+03 E0= 0.64837681E+03 EK= 0.58566E+02 SP= -.41E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335434059736E+03 0.67602E+00 -0.19082E-01 8872 0.249E+01 0.186E-01 RMM: 2 -0.335458581755E+03 -0.24522E-01 -0.20288E-01 5630 0.898E-01 0.870E-01 RMM: 3 -0.335451293939E+03 0.72878E-02 -0.13985E-02 5709 0.224E-01 0.162E-01 RMM: 4 -0.335451039799E+03 0.25414E-03 -0.91982E-04 4884 0.646E-02 0.130E-01 RMM: 5 -0.335450916570E+03 0.12323E-03 -0.12346E-04 3857 0.266E-02 0.717E-02 RMM: 6 -0.335450896237E+03 0.20333E-04 -0.24361E-05 2606 0.149E-02 0.519E-02 RMM: 7 -0.335450896435E+03 -0.19796E-06 -0.31014E-05 2670 0.155E-02 5931 T= 7013. E= 0.67564028E+03 F= 0.62081809E+03 E0= 0.64901734E+03 EK= 0.57113E+02 SP= -.34E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334488446455E+03 0.96245E+00 -0.18830E-01 9024 0.245E+01 0.170E-01 RMM: 2 -0.334508945770E+03 -0.20499E-01 -0.18823E-01 5579 0.866E-01 0.648E-01 RMM: 3 -0.334504346999E+03 0.45988E-02 -0.12582E-02 5948 0.210E-01 0.132E-01 RMM: 4 -0.334504138279E+03 0.20872E-03 -0.69224E-04 4743 0.562E-02 0.140E-01 RMM: 5 -0.334504002894E+03 0.13539E-03 -0.10735E-04 3710 0.284E-02 0.650E-02 RMM: 6 -0.334503986862E+03 0.16032E-04 -0.28103E-05 2700 0.155E-02 5932 T= 6800. E= 0.67564618E+03 F= 0.62176500E+03 E0= 0.64994781E+03 EK= 0.55377E+02 SP= -.26E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333365070025E+03 0.11389E+01 -0.17662E-01 9048 0.241E+01 0.244E-01 RMM: 2 -0.333392386461E+03 -0.27316E-01 -0.17295E-01 5523 0.831E-01 0.128E+00 RMM: 3 -0.333378978174E+03 0.13408E-01 -0.12816E-02 5621 0.236E-01 0.228E-01 RMM: 4 -0.333378546100E+03 0.43207E-03 -0.11312E-03 4837 0.681E-02 0.103E-01 RMM: 5 -0.333378479792E+03 0.66308E-04 -0.13232E-04 3994 0.274E-02 0.817E-02 RMM: 6 -0.333378451843E+03 0.27948E-04 -0.26399E-05 2666 0.154E-02 0.656E-02 RMM: 7 -0.333378461354E+03 -0.95106E-05 -0.41128E-05 3004 0.181E-02 5933 T= 6567. E= 0.67565559E+03 F= 0.62289053E+03 E0= 0.65106186E+03 EK= 0.53479E+02 SP= -.19E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332215662783E+03 0.11628E+01 -0.16905E-01 8992 0.236E+01 0.239E-01 RMM: 2 -0.332240603285E+03 -0.24941E-01 -0.16803E-01 5470 0.834E-01 0.118E+00 RMM: 3 -0.332229283979E+03 0.11319E-01 -0.12466E-02 5504 0.238E-01 0.244E-01 RMM: 4 -0.332228889447E+03 0.39453E-03 -0.12574E-03 4778 0.737E-02 0.124E-01 RMM: 5 -0.332228818308E+03 0.71138E-04 -0.16741E-04 3901 0.322E-02 0.952E-02 RMM: 6 -0.332228765296E+03 0.53012E-04 -0.39524E-05 3030 0.189E-02 0.498E-02 RMM: 7 -0.332228769861E+03 -0.45644E-05 -0.22801E-05 2566 0.146E-02 5934 T= 6334. E= 0.67566702E+03 F= 0.62404022E+03 E0= 0.65220681E+03 EK= 0.51584E+02 SP= -.11E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331220339432E+03 0.10084E+01 -0.16735E-01 9056 0.231E+01 0.245E-01 RMM: 2 -0.331246447449E+03 -0.26108E-01 -0.16988E-01 5458 0.851E-01 0.123E+00 RMM: 3 -0.331234219449E+03 0.12228E-01 -0.14038E-02 5573 0.244E-01 0.245E-01 RMM: 4 -0.331233740969E+03 0.47848E-03 -0.12374E-03 4945 0.704E-02 0.119E-01 RMM: 5 -0.331233658260E+03 0.82709E-04 -0.14568E-04 3897 0.309E-02 0.913E-02 RMM: 6 -0.331233619875E+03 0.38385E-04 -0.32757E-05 2842 0.172E-02 0.693E-02 RMM: 7 -0.331233621752E+03 -0.18777E-05 -0.40931E-05 2938 0.182E-02 5935 T= 6125. E= 0.67567870E+03 F= 0.62503537E+03 E0= 0.65320531E+03 EK= 0.49876E+02 SP= -.36E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330555019955E+03 0.67860E+00 -0.14837E-01 8976 0.227E+01 0.220E-01 RMM: 2 -0.330576871931E+03 -0.21852E-01 -0.16223E-01 5222 0.867E-01 0.101E+00 RMM: 3 -0.330568758884E+03 0.81130E-02 -0.15213E-02 5697 0.247E-01 0.197E-01 RMM: 4 -0.330568395034E+03 0.36385E-03 -0.10805E-03 5022 0.670E-02 0.114E-01 RMM: 5 -0.330568322036E+03 0.72998E-04 -0.13168E-04 3878 0.301E-02 0.781E-02 RMM: 6 -0.330568294371E+03 0.27664E-04 -0.29802E-05 2769 0.163E-02 0.552E-02 RMM: 7 -0.330568299153E+03 -0.47821E-05 -0.25534E-05 2592 0.158E-02 5936 T= 5959. E= 0.67568749E+03 F= 0.62570069E+03 E0= 0.65388218E+03 EK= 0.48530E+02 SP= 0.38E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330347037908E+03 0.22126E+00 -0.12980E-01 8464 0.224E+01 0.220E-01 RMM: 2 -0.330371102076E+03 -0.24064E-01 -0.15612E-01 5162 0.863E-01 0.119E+00 RMM: 3 -0.330360305847E+03 0.10796E-01 -0.15059E-02 5637 0.249E-01 0.208E-01 RMM: 4 -0.330359933049E+03 0.37280E-03 -0.11281E-03 4923 0.698E-02 0.117E-01 RMM: 5 -0.330359857019E+03 0.76030E-04 -0.14522E-04 3904 0.313E-02 0.798E-02 RMM: 6 -0.330359824056E+03 0.32963E-04 -0.32606E-05 2863 0.170E-02 0.530E-02 RMM: 7 -0.330359831027E+03 -0.69715E-05 -0.25265E-05 2596 0.153E-02 5937 T= 5854. E= 0.67569010E+03 F= 0.62590916E+03 E0= 0.65410887E+03 EK= 0.47669E+02 SP= 0.11E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330634564160E+03 -0.27474E+00 -0.11203E-01 8344 0.223E+01 0.187E-01 RMM: 2 -0.330650511040E+03 -0.15947E-01 -0.12043E-01 4998 0.764E-01 0.856E-01 RMM: 3 -0.330644794642E+03 0.57164E-02 -0.12101E-02 5742 0.219E-01 0.176E-01 RMM: 4 -0.330644496982E+03 0.29766E-03 -0.76703E-04 4915 0.578E-02 0.853E-02 RMM: 5 -0.330644468453E+03 0.28529E-04 -0.10306E-04 3710 0.267E-02 0.758E-02 RMM: 6 -0.330644435723E+03 0.32730E-04 -0.28191E-05 2780 0.161E-02 0.368E-02 RMM: 7 -0.330644441986E+03 -0.62636E-05 -0.18460E-05 2512 0.134E-02 5938 T= 5811. E= 0.67568582E+03 F= 0.62562455E+03 E0= 0.65384705E+03 EK= 0.47324E+02 SP= 0.18E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331344292887E+03 -0.69986E+00 -0.11298E-01 8016 0.223E+01 0.182E-01 RMM: 2 -0.331360437578E+03 -0.16145E-01 -0.11738E-01 4960 0.753E-01 0.899E-01 RMM: 3 -0.331354269086E+03 0.61685E-02 -0.12184E-02 5860 0.211E-01 0.152E-01 RMM: 4 -0.331353991420E+03 0.27767E-03 -0.70846E-04 4755 0.576E-02 0.949E-02 RMM: 5 -0.331353950890E+03 0.40530E-04 -0.10102E-04 3687 0.261E-02 0.716E-02 RMM: 6 -0.331353920860E+03 0.30030E-04 -0.25751E-05 2633 0.155E-02 0.348E-02 RMM: 7 -0.331353925633E+03 -0.47734E-05 -0.15732E-05 2503 0.124E-02 5939 T= 5824. E= 0.67567593E+03 F= 0.62491506E+03 E0= 0.65316370E+03 EK= 0.47424E+02 SP= 0.25E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332326768682E+03 -0.97285E+00 -0.11494E-01 8344 0.225E+01 0.210E-01 RMM: 2 -0.332343675777E+03 -0.16907E-01 -0.13085E-01 5048 0.796E-01 0.878E-01 RMM: 3 -0.332337703778E+03 0.59720E-02 -0.13901E-02 5874 0.227E-01 0.154E-01 RMM: 4 -0.332337416477E+03 0.28730E-03 -0.84577E-04 4912 0.609E-02 0.111E-01 RMM: 5 -0.332337344048E+03 0.72429E-04 -0.11043E-04 3803 0.269E-02 0.725E-02 RMM: 6 -0.332337317466E+03 0.26582E-04 -0.25790E-05 2586 0.154E-02 0.429E-02 RMM: 7 -0.332337318438E+03 -0.97222E-06 -0.18313E-05 2528 0.134E-02 5940 T= 5872. E= 0.67566353E+03 F= 0.62393167E+03 E0= 0.65220780E+03 EK= 0.47815E+02 SP= 0.31E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333400887895E+03 -0.10636E+01 -0.11811E-01 8680 0.226E+01 0.195E-01 RMM: 2 -0.333419562544E+03 -0.18675E-01 -0.14068E-01 5143 0.804E-01 0.939E-01 RMM: 3 -0.333412761141E+03 0.68014E-02 -0.13860E-02 5926 0.224E-01 0.182E-01 RMM: 4 -0.333412401154E+03 0.35999E-03 -0.82437E-04 4780 0.623E-02 0.110E-01 RMM: 5 -0.333412332859E+03 0.68295E-04 -0.11309E-04 3789 0.268E-02 0.787E-02 RMM: 6 -0.333412308428E+03 0.24432E-04 -0.23225E-05 2567 0.146E-02 0.584E-02 RMM: 7 -0.333412306794E+03 0.16341E-05 -0.30761E-05 2666 0.162E-02 5941 T= 5933. E= 0.67565177E+03 F= 0.62285668E+03 E0= 0.65115971E+03 EK= 0.48315E+02 SP= 0.37E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334399715282E+03 -0.98741E+00 -0.12120E-01 8672 0.228E+01 0.197E-01 RMM: 2 -0.334418766946E+03 -0.19052E-01 -0.15731E-01 5143 0.838E-01 0.836E-01 RMM: 3 -0.334413024866E+03 0.57421E-02 -0.15414E-02 5985 0.232E-01 0.166E-01 RMM: 4 -0.334412689595E+03 0.33527E-03 -0.83656E-04 4948 0.613E-02 0.123E-01 RMM: 5 -0.334412588927E+03 0.10067E-03 -0.11231E-04 3785 0.272E-02 0.752E-02 RMM: 6 -0.334412570327E+03 0.18600E-04 -0.23786E-05 2570 0.145E-02 5942 T= 5987. E= 0.67564298E+03 F= 0.62185642E+03 E0= 0.65018489E+03 EK= 0.48758E+02 SP= 0.43E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335199584698E+03 -0.78700E+00 -0.12794E-01 8656 0.229E+01 0.201E-01 RMM: 2 -0.335222504632E+03 -0.22920E-01 -0.16592E-01 5207 0.847E-01 0.105E+00 RMM: 3 -0.335213832759E+03 0.86719E-02 -0.16269E-02 5698 0.246E-01 0.203E-01 RMM: 4 -0.335213430205E+03 0.40255E-03 -0.10629E-03 5232 0.638E-02 0.106E-01 RMM: 5 -0.335213371385E+03 0.58820E-04 -0.96418E-05 3688 0.248E-02 0.913E-02 RMM: 6 -0.335213360507E+03 0.10878E-04 -0.20884E-05 2538 0.136E-02 5943 T= 6019. E= 0.67563720E+03 F= 0.62105563E+03 E0= 0.64940717E+03 EK= 0.49018E+02 SP= 0.49E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335728625842E+03 -0.51525E+00 -0.12887E-01 8848 0.229E+01 0.358E-01 RMM: 2 -0.335771703972E+03 -0.43078E-01 -0.15791E-01 5104 0.846E-01 0.207E+00 RMM: 3 -0.335741095568E+03 0.30608E-01 -0.19903E-02 5416 0.320E-01 0.387E-01 RMM: 4 -0.335739963936E+03 0.11316E-02 -0.23427E-03 5005 0.980E-02 0.973E-02 RMM: 5 -0.335739927311E+03 0.36625E-04 -0.29914E-04 4989 0.317E-02 0.944E-02 RMM: 6 -0.335739884117E+03 0.43194E-04 -0.23832E-05 2581 0.149E-02 0.694E-02 RMM: 7 -0.335739896925E+03 -0.12807E-04 -0.33186E-05 2847 0.170E-02 5944 T= 6020. E= 0.67563422E+03 F= 0.62052909E+03 E0= 0.64890309E+03 EK= 0.49023E+02 SP= 0.55E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335957504602E+03 -0.21762E+00 -0.13378E-01 8744 0.228E+01 0.374E-01 RMM: 2 -0.336002733002E+03 -0.45228E-01 -0.16565E-01 5085 0.842E-01 0.213E+00 RMM: 3 -0.335970412811E+03 0.32320E-01 -0.20894E-02 5400 0.326E-01 0.373E-01 RMM: 4 -0.335969471466E+03 0.94135E-03 -0.26488E-03 5164 0.107E-01 0.153E-01 RMM: 5 -0.335969519995E+03 -0.48529E-04 -0.39462E-04 3946 0.457E-02 0.176E-01 RMM: 6 -0.335969314886E+03 0.20511E-03 -0.12667E-04 3855 0.316E-02 0.494E-02 RMM: 7 -0.335969316489E+03 -0.16028E-05 -0.26835E-05 2714 0.147E-02 5945 T= 5987. E= 0.67563481E+03 F= 0.62029967E+03 E0= 0.64869378E+03 EK= 0.48752E+02 SP= 0.60E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335912541668E+03 0.56773E-01 -0.15077E-01 8600 0.226E+01 0.270E-01 RMM: 2 -0.335943758194E+03 -0.31217E-01 -0.18094E-01 5156 0.879E-01 0.147E+00 RMM: 3 -0.335927492890E+03 0.16265E-01 -0.18021E-02 5513 0.278E-01 0.243E-01 RMM: 4 -0.335926986618E+03 0.50627E-03 -0.16929E-03 5463 0.740E-02 0.916E-02 RMM: 5 -0.335926908526E+03 0.78092E-04 -0.13778E-04 3848 0.295E-02 0.768E-02 RMM: 6 -0.335926873272E+03 0.35254E-04 -0.26935E-05 2604 0.152E-02 0.531E-02 RMM: 7 -0.335926875322E+03 -0.20501E-05 -0.29047E-05 2631 0.158E-02 5946 T= 5923. E= 0.67563806E+03 F= 0.62034211E+03 E0= 0.64875351E+03 EK= 0.48234E+02 SP= 0.65E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335666260653E+03 0.26061E+00 -0.13994E-01 8976 0.225E+01 0.192E-01 RMM: 2 -0.335685929979E+03 -0.19669E-01 -0.15011E-01 5286 0.785E-01 0.919E-01 RMM: 3 -0.335678771413E+03 0.71586E-02 -0.13024E-02 5653 0.227E-01 0.173E-01 RMM: 4 -0.335678478984E+03 0.29243E-03 -0.92337E-04 5113 0.598E-02 0.948E-02 RMM: 5 -0.335678424231E+03 0.54753E-04 -0.97785E-05 3689 0.262E-02 0.707E-02 RMM: 6 -0.335678396192E+03 0.28039E-04 -0.24537E-05 2575 0.150E-02 0.434E-02 RMM: 7 -0.335678399695E+03 -0.35024E-05 -0.21751E-05 2574 0.140E-02 5947 T= 5838. E= 0.67564269E+03 F= 0.62059059E+03 E0= 0.64901907E+03 EK= 0.47538E+02 SP= 0.70E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335301542341E+03 0.37685E+00 -0.14081E-01 8632 0.222E+01 0.178E-01 RMM: 2 -0.335320728189E+03 -0.19186E-01 -0.16105E-01 5169 0.839E-01 0.782E-01 RMM: 3 -0.335315411306E+03 0.53169E-02 -0.14915E-02 5877 0.226E-01 0.131E-01 RMM: 4 -0.335315125930E+03 0.28538E-03 -0.79609E-04 5104 0.580E-02 0.108E-01 RMM: 5 -0.335315051420E+03 0.74510E-04 -0.92593E-05 3757 0.252E-02 0.657E-02 RMM: 6 -0.335315030803E+03 0.20617E-04 -0.22225E-05 2554 0.141E-02 0.452E-02 RMM: 7 -0.335315027671E+03 0.31320E-05 -0.36428E-05 2680 0.169E-02 5948 T= 5742. E= 0.67564799E+03 F= 0.62095396E+03 E0= 0.64939781E+03 EK= 0.46756E+02 SP= 0.75E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334923431235E+03 0.39160E+00 -0.13198E-01 8688 0.220E+01 0.146E-01 RMM: 2 -0.334938348481E+03 -0.14917E-01 -0.13597E-01 5296 0.761E-01 0.571E-01 RMM: 3 -0.334934985259E+03 0.33632E-02 -0.11557E-02 6017 0.196E-01 0.124E-01 RMM: 4 -0.334934750637E+03 0.23462E-03 -0.55983E-04 4692 0.509E-02 0.107E-01 RMM: 5 -0.334934675399E+03 0.75238E-04 -0.70742E-05 3404 0.244E-02 0.613E-02 RMM: 6 -0.334934661555E+03 0.13845E-04 -0.21292E-05 2541 0.139E-02 5949 T= 5647. E= 0.67565241E+03 F= 0.62133433E+03 E0= 0.64979321E+03 EK= 0.45990E+02 SP= 0.80E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334608752201E+03 0.32592E+00 -0.11357E-01 8736 0.218E+01 0.223E-01 RMM: 2 -0.334628920610E+03 -0.20168E-01 -0.11202E-01 5113 0.705E-01 0.122E+00 RMM: 3 -0.334617962658E+03 0.10958E-01 -0.11781E-02 5510 0.227E-01 0.210E-01 RMM: 4 -0.334617599680E+03 0.36298E-03 -0.10468E-03 5212 0.608E-02 0.808E-02 RMM: 5 -0.334617556043E+03 0.43637E-04 -0.82340E-05 3638 0.240E-02 0.666E-02 RMM: 6 -0.334617542631E+03 0.13412E-04 -0.19460E-05 2541 0.130E-02 5950 T= 5565. E= 0.67565545E+03 F= 0.62165145E+03 E0= 0.65012520E+03 EK= 0.45319E+02 SP= 0.84E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334403226524E+03 0.21433E+00 -0.10440E-01 8232 0.217E+01 0.285E-01 RMM: 2 -0.334430330717E+03 -0.27104E-01 -0.97207E-02 5056 0.677E-01 0.166E+00 RMM: 3 -0.334410865118E+03 0.19466E-01 -0.12852E-02 5408 0.261E-01 0.290E-01 RMM: 4 -0.334410210557E+03 0.65456E-03 -0.14870E-03 4778 0.784E-02 0.836E-02 RMM: 5 -0.334410181226E+03 0.29331E-04 -0.16285E-04 4346 0.279E-02 0.773E-02 RMM: 6 -0.334410151388E+03 0.29838E-04 -0.20839E-05 2564 0.135E-02 0.554E-02 RMM: 7 -0.334410175123E+03 -0.23735E-04 -0.39383E-05 2983 0.184E-02 0.882E-02 RMM: 8 -0.334410123712E+03 0.51412E-04 -0.94364E-05 3852 0.209E-02 0.344E-02 RMM: 9 -0.334410118030E+03 0.56813E-05 -0.13656E-05 2523 0.103E-02 5951 T= 5500. E= 0.67565563E+03 F= 0.62185887E+03 E0= 0.65034739E+03 EK= 0.44790E+02 SP= 0.87E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334311186461E+03 0.98937E-01 -0.99928E-02 8240 0.216E+01 0.315E-01 RMM: 2 -0.334336941789E+03 -0.25755E-01 -0.89502E-02 4980 0.670E-01 0.165E+00 RMM: 3 -0.334317913289E+03 0.19028E-01 -0.12678E-02 5402 0.259E-01 0.288E-01 RMM: 4 -0.334317389752E+03 0.52354E-03 -0.16952E-03 4714 0.882E-02 0.139E-01 RMM: 5 -0.334317431319E+03 -0.41567E-04 -0.25948E-04 3946 0.380E-02 0.162E-01 RMM: 6 -0.334317253417E+03 0.17790E-03 -0.81385E-05 3570 0.263E-02 0.352E-02 RMM: 7 -0.334317258791E+03 -0.53747E-05 -0.22714E-05 2585 0.143E-02 5952 T= 5453. E= 0.67565421E+03 F= 0.62195173E+03 E0= 0.65045616E+03 EK= 0.44410E+02 SP= 0.91E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334307470620E+03 0.97828E-02 -0.94320E-02 8240 0.216E+01 0.172E-01 RMM: 2 -0.334319903710E+03 -0.12433E-01 -0.77908E-02 5074 0.609E-01 0.899E-01 RMM: 3 -0.334313944876E+03 0.59588E-02 -0.81064E-03 5536 0.186E-01 0.190E-01 RMM: 4 -0.334313674084E+03 0.27079E-03 -0.68399E-04 4774 0.532E-02 0.677E-02 RMM: 5 -0.334313646968E+03 0.27116E-04 -0.74205E-05 3627 0.216E-02 0.605E-02 RMM: 6 -0.334313629953E+03 0.17015E-04 -0.17506E-05 2527 0.124E-02 5953 T= 5422. E= 0.67565183E+03 F= 0.62195536E+03 E0= 0.65047628E+03 EK= 0.44153E+02 SP= 0.94E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334352988553E+03 -0.39342E-01 -0.95393E-02 8064 0.215E+01 0.252E-01 RMM: 2 -0.334372826667E+03 -0.19838E-01 -0.87149E-02 4933 0.669E-01 0.136E+00 RMM: 3 -0.334359895939E+03 0.12931E-01 -0.11347E-02 5404 0.239E-01 0.235E-01 RMM: 4 -0.334359497440E+03 0.39850E-03 -0.11938E-03 5014 0.654E-02 0.812E-02 RMM: 5 -0.334359458526E+03 0.38913E-04 -0.11045E-04 3859 0.262E-02 0.712E-02 RMM: 6 -0.334359437547E+03 0.20979E-04 -0.22796E-05 2560 0.140E-02 0.584E-02 RMM: 7 -0.334359463560E+03 -0.26013E-04 -0.42502E-05 3094 0.184E-02 0.937E-02 RMM: 8 -0.334359411250E+03 0.52310E-04 -0.90481E-05 3890 0.219E-02 0.447E-02 RMM: 9 -0.334359399368E+03 0.11882E-04 -0.15521E-05 2524 0.114E-02 5954 T= 5401. E= 0.67564973E+03 F= 0.62190959E+03 E0= 0.65044749E+03 EK= 0.43982E+02 SP= 0.96E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334414078072E+03 -0.54667E-01 -0.94993E-02 8176 0.215E+01 0.230E-01 RMM: 2 -0.334428249183E+03 -0.14171E-01 -0.77342E-02 5056 0.612E-01 0.108E+00 RMM: 3 -0.334420022173E+03 0.82270E-02 -0.83688E-03 5410 0.203E-01 0.214E-01 RMM: 4 -0.334419851000E+03 0.17117E-03 -0.11041E-03 4653 0.719E-02 0.156E-01 RMM: 5 -0.334419770573E+03 0.80427E-04 -0.18754E-04 3888 0.344E-02 0.121E-01 RMM: 6 -0.334419672892E+03 0.97681E-04 -0.58321E-05 3344 0.227E-02 0.309E-02 RMM: 7 -0.334419681015E+03 -0.81236E-05 -0.20407E-05 2544 0.136E-02 5955 T= 5386. E= 0.67564852E+03 F= 0.62184931E+03 E0= 0.65040420E+03 EK= 0.43862E+02 SP= 0.99E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334471363339E+03 -0.51690E-01 -0.96010E-02 8368 0.214E+01 0.176E-01 RMM: 2 -0.334483950863E+03 -0.12588E-01 -0.79821E-02 5098 0.623E-01 0.911E-01 RMM: 3 -0.334477963837E+03 0.59870E-02 -0.83737E-03 5680 0.185E-01 0.188E-01 RMM: 4 -0.334477670560E+03 0.29328E-03 -0.64229E-04 4680 0.526E-02 0.653E-02 RMM: 5 -0.334477650315E+03 0.20244E-04 -0.77137E-05 3638 0.217E-02 0.623E-02 RMM: 6 -0.334477632728E+03 0.17587E-04 -0.16911E-05 2521 0.122E-02 5956 T= 5376. E= 0.67564867E+03 F= 0.62179136E+03 E0= 0.65036265E+03 EK= 0.43777E+02 SP= 0.10E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334532529510E+03 -0.54879E-01 -0.98623E-02 8176 0.213E+01 0.195E-01 RMM: 2 -0.334546619403E+03 -0.14090E-01 -0.87758E-02 4986 0.653E-01 0.993E-01 RMM: 3 -0.334539690514E+03 0.69289E-02 -0.96327E-03 5586 0.203E-01 0.167E-01 RMM: 4 -0.334539471373E+03 0.21914E-03 -0.85642E-04 5611 0.500E-02 0.776E-02 RMM: 5 -0.334539421171E+03 0.50202E-04 -0.43530E-05 2860 0.210E-02 0.680E-02 RMM: 6 -0.334539415294E+03 0.58763E-05 -0.25851E-05 2588 0.152E-02 5957 T= 5370. E= 0.67565035E+03 F= 0.62172957E+03 E0= 0.65031647E+03 EK= 0.43732E+02 SP= 0.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334626703092E+03 -0.87282E-01 -0.10172E-01 8472 0.213E+01 0.416E-01 RMM: 2 -0.334670802973E+03 -0.44100E-01 -0.10334E-01 4927 0.755E-01 0.226E+00 RMM: 3 -0.334634453638E+03 0.36349E-01 -0.19177E-02 5363 0.340E-01 0.468E-01 RMM: 4 -0.334632781115E+03 0.16725E-02 -0.26631E-03 5147 0.111E-01 0.101E-01 RMM: 5 -0.334632793859E+03 -0.12745E-04 -0.34231E-04 4071 0.368E-02 0.115E-01 RMM: 6 -0.334632709733E+03 0.84126E-04 -0.46331E-05 3137 0.195E-02 0.502E-02 RMM: 7 -0.334632698844E+03 0.10890E-04 -0.20033E-05 2527 0.139E-02 5958 T= 5373. E= 0.67565270E+03 F= 0.62163629E+03 E0= 0.65023840E+03 EK= 0.43756E+02 SP= 0.10E+02 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334784678649E+03 -0.15197E+00 -0.10968E-01 7920 0.212E+01 0.304E-01 RMM: 2 -0.334820561441E+03 -0.35883E-01 -0.11881E-01 4901 0.754E-01 0.192E+00 RMM: 3 -0.334794287871E+03 0.26274E-01 -0.16232E-02 5378 0.293E-01 0.299E-01 RMM: 4 -0.334793668053E+03 0.61982E-03 -0.18920E-03 4909 0.863E-02 0.117E-01 RMM: 5 -0.334793644718E+03 0.23335E-04 -0.22976E-04 3930 0.364E-02 0.113E-01 RMM: 6 -0.334793554664E+03 0.90054E-04 -0.55446E-05 3268 0.215E-02 0.419E-02 RMM: 7 -0.334793554120E+03 0.54362E-06 -0.22865E-05 2561 0.147E-02 5959 T= 5389. E= 0.67565484E+03 F= 0.62147544E+03 E0= 0.65009171E+03 EK= 0.43883E+02 SP= 0.10E+02 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335043694456E+03 -0.25014E+00 -0.11193E-01 8528 0.211E+01 0.303E-01 RMM: 2 -0.335070563312E+03 -0.26869E-01 -0.12097E-01 4947 0.777E-01 0.155E+00 RMM: 3 -0.335053605923E+03 0.16957E-01 -0.15531E-02 5428 0.275E-01 0.346E-01 RMM: 4 -0.335052686429E+03 0.91949E-03 -0.16648E-03 4878 0.830E-02 0.891E-02 RMM: 5 -0.335052666566E+03 0.19863E-04 -0.23160E-04 3951 0.353E-02 0.818E-02 RMM: 6 -0.335052623729E+03 0.42837E-04 -0.35236E-05 2915 0.176E-02 0.397E-02 RMM: 7 -0.335052618559E+03 0.51702E-05 -0.14609E-05 2500 0.126E-02 5960 T= 5420. E= 0.67565533E+03 F= 0.62121637E+03 E0= 0.64984587E+03 EK= 0.44141E+02 SP= 0.10E+02 SK= 0.75E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335409224754E+03 -0.35660E+00 -0.12099E-01 8288 0.211E+01 0.197E-01 RMM: 2 -0.335428338263E+03 -0.19114E-01 -0.12947E-01 4924 0.782E-01 0.103E+00 RMM: 3 -0.335420376381E+03 0.79619E-02 -0.13695E-02 5616 0.230E-01 0.187E-01 RMM: 4 -0.335420031073E+03 0.34531E-03 -0.99365E-04 5179 0.616E-02 0.855E-02 RMM: 5 -0.335419985789E+03 0.45283E-04 -0.11147E-04 3778 0.276E-02 0.640E-02 RMM: 6 -0.335419959692E+03 0.26097E-04 -0.24260E-05 2583 0.146E-02 0.382E-02 RMM: 7 -0.335419959514E+03 0.17799E-06 -0.16222E-05 2504 0.127E-02 5961 T= 5470. E= 0.67565369E+03 F= 0.62084903E+03 E0= 0.64949084E+03 EK= 0.44541E+02 SP= 0.10E+02 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335870153077E+03 -0.45019E+00 -0.11451E-01 8544 0.212E+01 0.209E-01 RMM: 2 -0.335888037767E+03 -0.17885E-01 -0.11599E-01 4911 0.742E-01 0.105E+00 RMM: 3 -0.335879932962E+03 0.81048E-02 -0.12428E-02 5657 0.222E-01 0.201E-01 RMM: 4 -0.335879538045E+03 0.39492E-03 -0.92327E-04 4872 0.627E-02 0.804E-02 RMM: 5 -0.335879529821E+03 0.82242E-05 -0.13627E-04 3829 0.298E-02 5962 T= 5534. E= 0.67565051E+03 F= 0.62038946E+03 E0= 0.64904287E+03 EK= 0.45064E+02 SP= 0.10E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336378621909E+03 -0.49908E+00 -0.11382E-01 8800 0.213E+01 0.131E-01 RMM: 2 -0.336391871474E+03 -0.13250E-01 -0.11075E-01 5216 0.692E-01 0.633E-01 RMM: 3 -0.336388147008E+03 0.37245E-02 -0.98035E-03 5810 0.188E-01 0.150E-01 RMM: 4 -0.336387899996E+03 0.24701E-03 -0.56564E-04 4663 0.494E-02 0.876E-02 RMM: 5 -0.336387851318E+03 0.48678E-04 -0.64819E-05 3380 0.226E-02 0.633E-02 RMM: 6 -0.336387838235E+03 0.13083E-04 -0.21062E-05 2525 0.138E-02 5963 T= 5608. E= 0.67564670E+03 F= 0.61988115E+03 E0= 0.64854439E+03 EK= 0.45669E+02 SP= 0.10E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336878196553E+03 -0.49035E+00 -0.11048E-01 8616 0.215E+01 0.266E-01 RMM: 2 -0.336904825159E+03 -0.26629E-01 -0.10985E-01 4946 0.726E-01 0.158E+00 RMM: 3 -0.336887115691E+03 0.17709E-01 -0.13217E-02 5428 0.255E-01 0.250E-01 RMM: 4 -0.336886640222E+03 0.47547E-03 -0.13647E-03 4911 0.719E-02 0.807E-02 RMM: 5 -0.336886630243E+03 0.99792E-05 -0.14989E-04 3860 0.312E-02 5964 T= 5685. E= 0.67564175E+03 F= 0.61938236E+03 E0= 0.64805443E+03 EK= 0.46293E+02 SP= 0.99E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337307830757E+03 -0.42119E+00 -0.10984E-01 8736 0.217E+01 0.258E-01 RMM: 2 -0.337334150140E+03 -0.26319E-01 -0.10636E-01 5274 0.695E-01 0.157E+00 RMM: 3 -0.337316242314E+03 0.17908E-01 -0.11573E-02 5407 0.242E-01 0.269E-01 RMM: 4 -0.337315735434E+03 0.50688E-03 -0.13317E-03 4782 0.743E-02 0.101E-01 RMM: 5 -0.337315691477E+03 0.43957E-04 -0.16266E-04 3926 0.311E-02 0.885E-02 RMM: 6 -0.337315646114E+03 0.45363E-04 -0.31506E-05 2756 0.170E-02 0.519E-02 RMM: 7 -0.337315652081E+03 -0.59664E-05 -0.25589E-05 2572 0.152E-02 5965 T= 5757. E= 0.67563895E+03 F= 0.61895334E+03 E0= 0.64763187E+03 EK= 0.46880E+02 SP= 0.97E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337626912598E+03 -0.31127E+00 -0.11483E-01 8640 0.219E+01 0.227E-01 RMM: 2 -0.337645600125E+03 -0.18688E-01 -0.11242E-01 4958 0.726E-01 0.114E+00 RMM: 3 -0.337636051819E+03 0.95483E-02 -0.11763E-02 5545 0.225E-01 0.226E-01 RMM: 4 -0.337635665340E+03 0.38648E-03 -0.10261E-03 4764 0.668E-02 0.954E-02 RMM: 5 -0.337635663649E+03 0.16905E-05 -0.15368E-04 3862 0.313E-02 5966 T= 5819. E= 0.67563757E+03 F= 0.61863333E+03 E0= 0.64731566E+03 EK= 0.47385E+02 SP= 0.95E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337824269495E+03 -0.18860E+00 -0.11208E-01 8648 0.220E+01 0.161E-01 RMM: 2 -0.337838378972E+03 -0.14109E-01 -0.10963E-01 5199 0.704E-01 0.782E-01 RMM: 3 -0.337833488498E+03 0.48905E-02 -0.10381E-02 6054 0.190E-01 0.173E-01 RMM: 4 -0.337833145570E+03 0.34293E-03 -0.54790E-04 4614 0.510E-02 0.867E-02 RMM: 5 -0.337833089607E+03 0.55963E-04 -0.71070E-05 3522 0.224E-02 0.691E-02 RMM: 6 -0.337833076105E+03 0.13502E-04 -0.21526E-05 2532 0.138E-02 5967 T= 5869. E= 0.67563814E+03 F= 0.61843591E+03 E0= 0.64711816E+03 EK= 0.47796E+02 SP= 0.93E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337917027283E+03 -0.83938E-01 -0.11497E-01 8200 0.221E+01 0.256E-01 RMM: 2 -0.337941511619E+03 -0.24484E-01 -0.11753E-01 4804 0.767E-01 0.144E+00 RMM: 3 -0.337926821719E+03 0.14690E-01 -0.14326E-02 5487 0.257E-01 0.267E-01 RMM: 4 -0.337926266482E+03 0.55524E-03 -0.13209E-03 4939 0.719E-02 0.768E-02 RMM: 5 -0.337926242987E+03 0.23495E-04 -0.14114E-04 3890 0.295E-02 0.745E-02 RMM: 6 -0.337926211244E+03 0.31742E-04 -0.26121E-05 2593 0.147E-02 0.490E-02 RMM: 7 -0.337926221785E+03 -0.10541E-04 -0.27365E-05 2645 0.164E-02 5968 T= 5910. E= 0.67563989E+03 F= 0.61834277E+03 E0= 0.64702164E+03 EK= 0.48127E+02 SP= 0.90E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337951190978E+03 -0.24980E-01 -0.11009E-01 8176 0.222E+01 0.344E-01 RMM: 2 -0.337982582174E+03 -0.31391E-01 -0.10659E-01 4962 0.756E-01 0.185E+00 RMM: 3 -0.337959238856E+03 0.23343E-01 -0.15751E-02 5419 0.290E-01 0.334E-01 RMM: 4 -0.337958467234E+03 0.77162E-03 -0.18998E-03 4836 0.911E-02 0.121E-01 RMM: 5 -0.337958511961E+03 -0.44727E-04 -0.27100E-04 3902 0.396E-02 0.152E-01 RMM: 6 -0.337958356855E+03 0.15511E-03 -0.78877E-05 3518 0.258E-02 0.360E-02 RMM: 7 -0.337958355124E+03 0.17307E-05 -0.17975E-05 2547 0.127E-02 5969 T= 5946. E= 0.67564348E+03 F= 0.61831063E+03 E0= 0.64698159E+03 EK= 0.48421E+02 SP= 0.87E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337978126136E+03 -0.19769E-01 -0.11297E-01 7992 0.223E+01 0.207E-01 RMM: 2 -0.337997667366E+03 -0.19541E-01 -0.10915E-01 4906 0.739E-01 0.119E+00 RMM: 3 -0.337987390312E+03 0.10277E-01 -0.12590E-02 5533 0.234E-01 0.209E-01 RMM: 4 -0.337987031429E+03 0.35888E-03 -0.10285E-03 5088 0.628E-02 0.837E-02 RMM: 5 -0.337986987402E+03 0.44026E-04 -0.10186E-04 3719 0.273E-02 0.680E-02 RMM: 6 -0.337986964683E+03 0.22720E-04 -0.24321E-05 2565 0.145E-02 0.519E-02 RMM: 7 -0.337986974680E+03 -0.99968E-05 -0.29371E-05 2651 0.161E-02 5970 T= 5984. E= 0.67564696E+03 F= 0.61828201E+03 E0= 0.64694037E+03 EK= 0.48732E+02 SP= 0.84E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338061047935E+03 -0.74083E-01 -0.10685E-01 7968 0.224E+01 0.196E-01 RMM: 2 -0.338074674297E+03 -0.13626E-01 -0.87066E-02 4840 0.693E-01 0.950E-01 RMM: 3 -0.338068344328E+03 0.63300E-02 -0.10666E-02 5670 0.212E-01 0.163E-01 RMM: 4 -0.338068107881E+03 0.23645E-03 -0.73998E-04 4833 0.576E-02 0.918E-02 RMM: 5 -0.338068073487E+03 0.34394E-04 -0.97632E-05 3716 0.264E-02 0.701E-02 RMM: 6 -0.338068043889E+03 0.29598E-04 -0.23704E-05 2569 0.148E-02 0.322E-02 RMM: 7 -0.338068046060E+03 -0.21709E-05 -0.12994E-05 2489 0.116E-02 5971 T= 6031. E= 0.67564899E+03 F= 0.61820094E+03 E0= 0.64684264E+03 EK= 0.49114E+02 SP= 0.81E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338226683449E+03 -0.15864E+00 -0.11164E-01 7832 0.225E+01 0.148E-01 RMM: 2 -0.338238994147E+03 -0.12311E-01 -0.99043E-02 4814 0.733E-01 0.701E-01 RMM: 3 -0.338235366720E+03 0.36274E-02 -0.11414E-02 5899 0.198E-01 0.143E-01 RMM: 4 -0.338235085253E+03 0.28147E-03 -0.55960E-04 4678 0.537E-02 0.830E-02 RMM: 5 -0.338235044362E+03 0.40891E-04 -0.78797E-05 3534 0.257E-02 0.576E-02 RMM: 6 -0.338235026275E+03 0.18087E-04 -0.23404E-05 2550 0.146E-02 5972 T= 6091. E= 0.67564923E+03 F= 0.61803396E+03 E0= 0.64665475E+03 EK= 0.49600E+02 SP= 0.78E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338476240501E+03 -0.24120E+00 -0.10559E-01 7792 0.227E+01 0.187E-01 RMM: 2 -0.338491068772E+03 -0.14828E-01 -0.80885E-02 4785 0.682E-01 0.107E+00 RMM: 3 -0.338483050371E+03 0.80184E-02 -0.10118E-02 5494 0.215E-01 0.172E-01 RMM: 4 -0.338482820147E+03 0.23022E-03 -0.78197E-04 4991 0.554E-02 0.669E-02 RMM: 5 -0.338482793019E+03 0.27129E-04 -0.83279E-05 3689 0.259E-02 0.594E-02 RMM: 6 -0.338482779252E+03 0.13767E-04 -0.23796E-05 2554 0.143E-02 5973 T= 6162. E= 0.67564650E+03 F= 0.61778621E+03 E0= 0.64638257E+03 EK= 0.50182E+02 SP= 0.74E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338758636488E+03 -0.27584E+00 -0.10775E-01 7776 0.229E+01 0.286E-01 RMM: 2 -0.338786914990E+03 -0.28279E-01 -0.90796E-02 4792 0.740E-01 0.174E+00 RMM: 3 -0.338765684166E+03 0.21231E-01 -0.13590E-02 5396 0.274E-01 0.238E-01 RMM: 4 -0.338765288832E+03 0.39533E-03 -0.14478E-03 4846 0.746E-02 0.890E-02 RMM: 5 -0.338765264873E+03 0.23959E-04 -0.15843E-04 3890 0.315E-02 0.909E-02 RMM: 6 -0.338765215038E+03 0.49836E-04 -0.35940E-05 2913 0.183E-02 0.389E-02 RMM: 7 -0.338765220990E+03 -0.59526E-05 -0.18700E-05 2519 0.137E-02 5974 T= 6240. E= 0.67564082E+03 F= 0.61750377E+03 E0= 0.64607331E+03 EK= 0.50813E+02 SP= 0.70E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338995746405E+03 -0.23053E+00 -0.10961E-01 7976 0.232E+01 0.229E-01 RMM: 2 -0.339014636083E+03 -0.18890E-01 -0.85387E-02 4860 0.688E-01 0.130E+00 RMM: 3 -0.339002662260E+03 0.11974E-01 -0.10813E-02 5407 0.235E-01 0.239E-01 RMM: 4 -0.339002285344E+03 0.37692E-03 -0.11654E-03 4746 0.708E-02 0.910E-02 RMM: 5 -0.339002268102E+03 0.17243E-04 -0.15154E-04 3881 0.320E-02 5975 T= 6313. E= 0.67563556E+03 F= 0.61726672E+03 E0= 0.64580754E+03 EK= 0.51412E+02 SP= 0.67E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339096679029E+03 -0.94394E-01 -0.11202E-01 8320 0.234E+01 0.162E-01 RMM: 2 -0.339110686242E+03 -0.14007E-01 -0.95698E-02 4953 0.705E-01 0.898E-01 RMM: 3 -0.339104858305E+03 0.58279E-02 -0.10689E-02 5706 0.203E-01 0.154E-01 RMM: 4 -0.339104632426E+03 0.22588E-03 -0.61916E-04 5111 0.505E-02 0.891E-02 RMM: 5 -0.339104581039E+03 0.51387E-04 -0.63081E-05 3288 0.236E-02 0.754E-02 RMM: 6 -0.339104575138E+03 0.59016E-05 -0.27279E-05 2590 0.155E-02 5976 T= 6372. E= 0.67563131E+03 F= 0.61716441E+03 E0= 0.64567346E+03 EK= 0.51888E+02 SP= 0.63E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338986842561E+03 0.11774E+00 -0.12130E-01 8328 0.235E+01 0.266E-01 RMM: 2 -0.339010738561E+03 -0.23896E-01 -0.10853E-01 4805 0.766E-01 0.147E+00 RMM: 3 -0.338995484986E+03 0.15254E-01 -0.14114E-02 5438 0.263E-01 0.214E-01 RMM: 4 -0.338995172846E+03 0.31214E-03 -0.14206E-03 4994 0.720E-02 0.109E-01 RMM: 5 -0.338995108376E+03 0.64469E-04 -0.14836E-04 3912 0.310E-02 0.816E-02 RMM: 6 -0.338995069785E+03 0.38592E-04 -0.31934E-05 2825 0.170E-02 0.419E-02 RMM: 7 -0.338995072688E+03 -0.29032E-05 -0.15594E-05 2510 0.129E-02 5977 T= 6405. E= 0.67562879E+03 F= 0.61727392E+03 E0= 0.64574965E+03 EK= 0.52162E+02 SP= 0.59E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338619511165E+03 0.37556E+00 -0.11869E-01 8344 0.236E+01 0.296E-01 RMM: 2 -0.338646466036E+03 -0.26955E-01 -0.11172E-01 4997 0.778E-01 0.162E+00 RMM: 3 -0.338628072815E+03 0.18393E-01 -0.14796E-02 5445 0.276E-01 0.272E-01 RMM: 4 -0.338627534026E+03 0.53879E-03 -0.15556E-03 4806 0.809E-02 0.107E-01 RMM: 5 -0.338627496890E+03 0.37136E-04 -0.19975E-04 3912 0.350E-02 0.105E-01 RMM: 6 -0.338627424261E+03 0.72629E-04 -0.43283E-05 3046 0.198E-02 0.435E-02 RMM: 7 -0.338627423570E+03 0.69098E-06 -0.24390E-05 2577 0.146E-02 5978 T= 6408. E= 0.67562866E+03 F= 0.61764157E+03 E0= 0.64608006E+03 EK= 0.52184E+02 SP= 0.55E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337984998646E+03 0.64243E+00 -0.12138E-01 8320 0.236E+01 0.177E-01 RMM: 2 -0.337999894154E+03 -0.14896E-01 -0.10067E-01 5074 0.691E-01 0.937E-01 RMM: 3 -0.337993149059E+03 0.67451E-02 -0.10167E-02 5609 0.204E-01 0.164E-01 RMM: 4 -0.337992915481E+03 0.23358E-03 -0.74863E-04 5126 0.528E-02 0.757E-02 RMM: 5 -0.337992875044E+03 0.40437E-04 -0.70408E-05 3415 0.231E-02 0.629E-02 RMM: 6 -0.337992860698E+03 0.14345E-04 -0.21485E-05 2537 0.138E-02 5979 T= 6379. E= 0.67563110E+03 F= 0.61827613E+03 E0= 0.64667427E+03 EK= 0.51945E+02 SP= 0.51E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337111477440E+03 0.88140E+00 -0.12329E-01 8152 0.235E+01 0.261E-01 RMM: 2 -0.337138204740E+03 -0.26727E-01 -0.11139E-01 4900 0.757E-01 0.157E+00 RMM: 3 -0.337120070324E+03 0.18134E-01 -0.13415E-02 5446 0.258E-01 0.207E-01 RMM: 4 -0.337119761927E+03 0.30840E-03 -0.14466E-03 5448 0.663E-02 0.780E-02 RMM: 5 -0.337119706362E+03 0.55566E-04 -0.92028E-05 3758 0.260E-02 0.717E-02 RMM: 6 -0.337119684544E+03 0.21818E-04 -0.22861E-05 2542 0.142E-02 0.562E-02 RMM: 7 -0.337119699425E+03 -0.14881E-04 -0.45681E-05 3070 0.191E-02 5980 T= 6321. E= 0.67563501E+03 F= 0.61914929E+03 E0= 0.64750373E+03 EK= 0.51471E+02 SP= 0.47E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336059337738E+03 0.10603E+01 -0.12208E-01 8288 0.234E+01 0.276E-01 RMM: 2 -0.336084796007E+03 -0.25458E-01 -0.10804E-01 4941 0.747E-01 0.154E+00 RMM: 3 -0.336067618295E+03 0.17178E-01 -0.13328E-02 5426 0.259E-01 0.242E-01 RMM: 4 -0.336067244660E+03 0.37364E-03 -0.14522E-03 4849 0.780E-02 0.116E-01 RMM: 5 -0.336067273838E+03 -0.29178E-04 -0.20717E-04 3886 0.353E-02 0.136E-01 RMM: 6 -0.336067149115E+03 0.12472E-03 -0.64960E-05 3386 0.233E-02 0.329E-02 RMM: 7 -0.336067154150E+03 -0.50354E-05 -0.19093E-05 2538 0.135E-02 5981 T= 6241. E= 0.67564103E+03 F= 0.62020184E+03 E0= 0.64851069E+03 EK= 0.50822E+02 SP= 0.43E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334904200624E+03 0.11629E+01 -0.12861E-01 7840 0.232E+01 0.198E-01 RMM: 2 -0.334925629471E+03 -0.21429E-01 -0.14239E-01 4807 0.857E-01 0.111E+00 RMM: 3 -0.334916443519E+03 0.91860E-02 -0.16023E-02 5782 0.241E-01 0.176E-01 RMM: 4 -0.334916042409E+03 0.40111E-03 -0.93326E-04 4992 0.644E-02 0.835E-02 RMM: 5 -0.334916001949E+03 0.40460E-04 -0.11671E-04 4143 0.265E-02 0.699E-02 RMM: 6 -0.334915976023E+03 0.25926E-04 -0.23078E-05 2554 0.142E-02 0.449E-02 RMM: 7 -0.334915977728E+03 -0.17054E-05 -0.23671E-05 2594 0.144E-02 5982 T= 6150. E= 0.67564750E+03 F= 0.62135301E+03 E0= 0.64961364E+03 EK= 0.50078E+02 SP= 0.38E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333744327911E+03 0.11716E+01 -0.12256E-01 8080 0.230E+01 0.160E-01 RMM: 2 -0.333758343631E+03 -0.14016E-01 -0.11163E-01 4929 0.762E-01 0.750E-01 RMM: 3 -0.333753926753E+03 0.44169E-02 -0.11968E-02 5943 0.202E-01 0.151E-01 RMM: 4 -0.333753612717E+03 0.31404E-03 -0.59225E-04 4704 0.551E-02 0.764E-02 RMM: 5 -0.333753583322E+03 0.29395E-04 -0.78509E-05 3589 0.246E-02 0.596E-02 RMM: 6 -0.333753567047E+03 0.16275E-04 -0.21555E-05 2542 0.142E-02 5983 T= 6058. E= 0.67565415E+03 F= 0.62251542E+03 E0= 0.65072834E+03 EK= 0.49330E+02 SP= 0.34E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332657738707E+03 0.10958E+01 -0.10886E-01 7560 0.227E+01 0.184E-01 RMM: 2 -0.332673615422E+03 -0.15877E-01 -0.10907E-01 4876 0.748E-01 0.944E-01 RMM: 3 -0.332667031439E+03 0.65840E-02 -0.12111E-02 5753 0.214E-01 0.169E-01 RMM: 4 -0.332666724983E+03 0.30646E-03 -0.72317E-04 4897 0.567E-02 0.827E-02 RMM: 5 -0.332666688152E+03 0.36831E-04 -0.83380E-05 3714 0.241E-02 0.666E-02 RMM: 6 -0.332666672195E+03 0.15958E-04 -0.19459E-05 2526 0.131E-02 5984 T= 5976. E= 0.67566032E+03 F= 0.62360232E+03 E0= 0.65176825E+03 EK= 0.48667E+02 SP= 0.30E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331723333252E+03 0.94335E+00 -0.10238E-01 7496 0.226E+01 0.301E-01 RMM: 2 -0.331750370811E+03 -0.27038E-01 -0.95849E-02 4892 0.740E-01 0.166E+00 RMM: 3 -0.331730748049E+03 0.19623E-01 -0.13980E-02 5386 0.278E-01 0.288E-01 RMM: 4 -0.331730148182E+03 0.59987E-03 -0.14918E-03 4816 0.768E-02 0.745E-02 RMM: 5 -0.331730140358E+03 0.78237E-05 -0.15353E-04 3952 0.301E-02 5985 T= 5915. E= 0.67566565E+03 F= 0.62453885E+03 E0= 0.65265915E+03 EK= 0.48167E+02 SP= 0.25E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330992855616E+03 0.73729E+00 -0.10150E-01 7720 0.224E+01 0.204E-01 RMM: 2 -0.331010088578E+03 -0.17233E-01 -0.92517E-02 4989 0.688E-01 0.112E+00 RMM: 3 -0.331000689140E+03 0.93994E-02 -0.10684E-02 5414 0.225E-01 0.210E-01 RMM: 4 -0.331000395965E+03 0.29317E-03 -0.97496E-04 4890 0.613E-02 0.894E-02 RMM: 5 -0.331000363436E+03 0.32529E-04 -0.10580E-04 3752 0.271E-02 0.752E-02 RMM: 6 -0.331000336107E+03 0.27329E-04 -0.25714E-05 2582 0.152E-02 0.498E-02 RMM: 7 -0.331000354951E+03 -0.18844E-04 -0.28179E-05 2659 0.156E-02 5986 T= 5881. E= 0.67566922E+03 F= 0.62526863E+03 E0= 0.65334557E+03 EK= 0.47889E+02 SP= 0.20E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330507748407E+03 0.49259E+00 -0.10024E-01 7776 0.224E+01 0.218E-01 RMM: 2 -0.330521584434E+03 -0.13836E-01 -0.94705E-02 4762 0.717E-01 0.919E-01 RMM: 3 -0.330515560312E+03 0.60241E-02 -0.10941E-02 5603 0.212E-01 0.186E-01 RMM: 4 -0.330515335161E+03 0.22515E-03 -0.85057E-04 4720 0.643E-02 0.131E-01 RMM: 5 -0.330515308254E+03 0.26907E-04 -0.16302E-04 3861 0.329E-02 0.114E-01 RMM: 6 -0.330515221750E+03 0.86504E-04 -0.59472E-05 3350 0.227E-02 0.252E-02 RMM: 7 -0.330515232384E+03 -0.10633E-04 -0.16417E-05 2520 0.127E-02 5987 T= 5879. E= 0.67567072E+03 F= 0.62575376E+03 E0= 0.65379238E+03 EK= 0.47874E+02 SP= 0.15E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330285105760E+03 0.23012E+00 -0.97934E-02 8104 0.224E+01 0.156E-01 RMM: 2 -0.330298521163E+03 -0.13415E-01 -0.10526E-01 4826 0.756E-01 0.763E-01 RMM: 3 -0.330294406904E+03 0.41143E-02 -0.12208E-02 5948 0.205E-01 0.139E-01 RMM: 4 -0.330294114120E+03 0.29278E-03 -0.56630E-04 4738 0.540E-02 0.796E-02 RMM: 5 -0.330294059545E+03 0.54575E-04 -0.79345E-05 3638 0.247E-02 0.526E-02 RMM: 6 -0.330294048813E+03 0.10733E-04 -0.21010E-05 2534 0.132E-02 5988 T= 5912. E= 0.67567109E+03 F= 0.62597494E+03 E0= 0.65397911E+03 EK= 0.48144E+02 SP= 0.94E+00 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330329056644E+03 -0.34997E-01 -0.10658E-01 7864 0.225E+01 0.167E-01 RMM: 2 -0.330344823296E+03 -0.15767E-01 -0.11916E-01 4784 0.793E-01 0.829E-01 RMM: 3 -0.330339706556E+03 0.51167E-02 -0.13776E-02 5822 0.218E-01 0.177E-01 RMM: 4 -0.330339305232E+03 0.40132E-03 -0.69300E-04 4812 0.583E-02 0.759E-02 RMM: 5 -0.330339276831E+03 0.28401E-04 -0.85663E-05 3714 0.252E-02 0.663E-02 RMM: 6 -0.330339261145E+03 0.15686E-04 -0.24911E-05 2560 0.149E-02 5989 T= 5981. E= 0.67566988E+03 F= 0.62592973E+03 E0= 0.65390560E+03 EK= 0.48704E+02 SP= 0.38E+00 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330628652667E+03 -0.28938E+00 -0.10340E-01 8208 0.227E+01 0.378E-01 RMM: 2 -0.330669363327E+03 -0.40711E-01 -0.11222E-01 4876 0.809E-01 0.216E+00 RMM: 3 -0.330636867424E+03 0.32496E-01 -0.18798E-02 5373 0.332E-01 0.336E-01 RMM: 4 -0.330636039013E+03 0.82841E-03 -0.21313E-03 5091 0.919E-02 0.892E-02 RMM: 5 -0.330636025072E+03 0.13941E-04 -0.22312E-04 3920 0.341E-02 0.101E-01 RMM: 6 -0.330635961027E+03 0.64045E-04 -0.46051E-05 3121 0.202E-02 0.412E-02 RMM: 7 -0.330635965217E+03 -0.41890E-05 -0.19354E-05 2526 0.131E-02 5990 T= 6083. E= 0.67566778E+03 F= 0.62563302E+03 E0= 0.65358736E+03 EK= 0.49540E+02 SP= -.21E+00 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331146610457E+03 -0.51065E+00 -0.10426E-01 8296 0.229E+01 0.309E-01 RMM: 2 -0.331178271367E+03 -0.31661E-01 -0.10832E-01 4970 0.749E-01 0.181E+00 RMM: 3 -0.331155026857E+03 0.23245E-01 -0.15279E-02 5371 0.293E-01 0.294E-01 RMM: 4 -0.331154456122E+03 0.57073E-03 -0.17389E-03 4959 0.813E-02 0.102E-01 RMM: 5 -0.331154434982E+03 0.21140E-04 -0.19879E-04 3895 0.359E-02 0.107E-01 RMM: 6 -0.331154359445E+03 0.75538E-04 -0.52625E-05 3214 0.216E-02 0.400E-02 RMM: 7 -0.331154358154E+03 0.12901E-05 -0.17094E-05 2519 0.128E-02 5991 T= 6216. E= 0.67566419E+03 F= 0.62511463E+03 E0= 0.65305452E+03 EK= 0.50622E+02 SP= -.81E+00 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331840353240E+03 -0.68599E+00 -0.11026E-01 8384 0.233E+01 0.210E-01 RMM: 2 -0.331858850052E+03 -0.18497E-01 -0.11117E-01 4943 0.759E-01 0.113E+00 RMM: 3 -0.331849695066E+03 0.91550E-02 -0.12465E-02 5572 0.234E-01 0.197E-01 RMM: 4 -0.331849367916E+03 0.32715E-03 -0.96378E-04 4988 0.623E-02 0.842E-02 RMM: 5 -0.331849330054E+03 0.37861E-04 -0.11443E-04 3755 0.291E-02 0.692E-02 RMM: 6 -0.331849301708E+03 0.28346E-04 -0.26616E-05 2615 0.154E-02 0.398E-02 RMM: 7 -0.331849303132E+03 -0.14233E-05 -0.17444E-05 2519 0.128E-02 5992 T= 6374. E= 0.67565942E+03 F= 0.62441969E+03 E0= 0.65235151E+03 EK= 0.51903E+02 SP= -.14E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332650811620E+03 -0.80151E+00 -0.11729E-01 8136 0.237E+01 0.171E-01 RMM: 2 -0.332667144218E+03 -0.16333E-01 -0.13543E-01 4882 0.839E-01 0.773E-01 RMM: 3 -0.332662564684E+03 0.45795E-02 -0.14715E-02 6046 0.221E-01 0.140E-01 RMM: 4 -0.332662228768E+03 0.33592E-03 -0.69017E-04 4869 0.591E-02 0.983E-02 RMM: 5 -0.332662159158E+03 0.69610E-04 -0.93695E-05 3692 0.270E-02 0.562E-02 RMM: 6 -0.332662144250E+03 0.14908E-04 -0.22853E-05 2550 0.141E-02 5993 T= 6548. E= 0.67565425E+03 F= 0.62360685E+03 E0= 0.65153791E+03 EK= 0.53323E+02 SP= -.20E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333513308953E+03 -0.85115E+00 -0.12553E-01 7784 0.241E+01 0.170E-01 RMM: 2 -0.333534014411E+03 -0.20705E-01 -0.16544E-01 4876 0.915E-01 0.870E-01 RMM: 3 -0.333527799180E+03 0.62152E-02 -0.17212E-02 5982 0.236E-01 0.161E-01 RMM: 4 -0.333527348236E+03 0.45094E-03 -0.79232E-04 4864 0.644E-02 0.840E-02 RMM: 5 -0.333527298912E+03 0.49323E-04 -0.93437E-05 3820 0.260E-02 0.622E-02 RMM: 6 -0.333527288175E+03 0.10737E-04 -0.21650E-05 2531 0.139E-02 5994 T= 6730. E= 0.67564836E+03 F= 0.62274170E+03 E0= 0.65067764E+03 EK= 0.54808E+02 SP= -.26E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334361783642E+03 -0.83448E+00 -0.12763E-01 7864 0.245E+01 0.282E-01 RMM: 2 -0.334389781821E+03 -0.27998E-01 -0.15054E-01 4814 0.907E-01 0.148E+00 RMM: 3 -0.334374321138E+03 0.15461E-01 -0.18149E-02 5538 0.288E-01 0.287E-01 RMM: 4 -0.334373623849E+03 0.69729E-03 -0.15774E-03 4936 0.818E-02 0.829E-02 RMM: 5 -0.334373596071E+03 0.27778E-04 -0.19093E-04 4053 0.317E-02 0.791E-02 RMM: 6 -0.334373560833E+03 0.35239E-04 -0.30366E-05 2677 0.165E-02 0.504E-02 RMM: 7 -0.334373568604E+03 -0.77712E-05 -0.24849E-05 2549 0.154E-02 5995 T= 6912. E= 0.67564297E+03 F= 0.62189542E+03 E0= 0.64984186E+03 EK= 0.56284E+02 SP= -.33E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335121888526E+03 -0.74833E+00 -0.12803E-01 7864 0.249E+01 0.241E-01 RMM: 2 -0.335142838683E+03 -0.20950E-01 -0.13307E-01 4940 0.836E-01 0.115E+00 RMM: 3 -0.335132896084E+03 0.99426E-02 -0.14627E-02 5602 0.251E-01 0.237E-01 RMM: 4 -0.335132483140E+03 0.41294E-03 -0.12951E-03 4775 0.784E-02 0.127E-01 RMM: 5 -0.335132410911E+03 0.72228E-04 -0.19857E-04 3896 0.356E-02 0.909E-02 RMM: 6 -0.335132360005E+03 0.50906E-04 -0.46295E-05 3142 0.199E-02 0.360E-02 RMM: 7 -0.335132366710E+03 -0.67046E-05 -0.19133E-05 2525 0.136E-02 5996 T= 7082. E= 0.67563822E+03 F= 0.62113662E+03 E0= 0.64909843E+03 EK= 0.57671E+02 SP= -.38E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335728700186E+03 -0.59634E+00 -0.13408E-01 8072 0.253E+01 0.203E-01 RMM: 2 -0.335746702594E+03 -0.18002E-01 -0.13412E-01 4948 0.840E-01 0.948E-01 RMM: 3 -0.335740011591E+03 0.66910E-02 -0.14490E-02 5866 0.231E-01 0.176E-01 RMM: 4 -0.335739623830E+03 0.38776E-03 -0.79630E-04 4898 0.614E-02 0.959E-02 RMM: 5 -0.335739568063E+03 0.55767E-04 -0.11150E-04 3763 0.292E-02 0.674E-02 RMM: 6 -0.335739543544E+03 0.24519E-04 -0.28595E-05 2647 0.159E-02 0.476E-02 RMM: 7 -0.335739536002E+03 0.75423E-05 -0.37848E-05 2654 0.179E-02 5997 T= 7233. E= 0.67563405E+03 F= 0.62052945E+03 E0= 0.64851012E+03 EK= 0.58898E+02 SP= -.44E+01 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336126851740E+03 -0.38731E+00 -0.13364E-01 8064 0.255E+01 0.168E-01 RMM: 2 -0.336140700524E+03 -0.13849E-01 -0.12127E-01 4965 0.810E-01 0.678E-01 RMM: 3 -0.336137203937E+03 0.34966E-02 -0.12890E-02 6062 0.207E-01 0.138E-01 RMM: 4 -0.336136915606E+03 0.28833E-03 -0.61279E-04 4683 0.581E-02 0.109E-01 RMM: 5 -0.336136832511E+03 0.83094E-04 -0.91243E-05 3596 0.275E-02 0.528E-02 RMM: 6 -0.336136821961E+03 0.10550E-04 -0.22598E-05 2554 0.141E-02 5998 T= 7355. E= 0.67563025E+03 F= 0.62013217E+03 E0= 0.64813600E+03 EK= 0.59896E+02 SP= -.49E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336263399632E+03 -0.12657E+00 -0.13015E-01 7896 0.257E+01 0.182E-01 RMM: 2 -0.336280130102E+03 -0.16730E-01 -0.11690E-01 4953 0.781E-01 0.953E-01 RMM: 3 -0.336273269967E+03 0.68601E-02 -0.12209E-02 5738 0.217E-01 0.173E-01 RMM: 4 -0.336272956540E+03 0.31343E-03 -0.73132E-04 4749 0.592E-02 0.849E-02 RMM: 5 -0.336272903782E+03 0.52758E-04 -0.93677E-05 3792 0.255E-02 0.612E-02 RMM: 6 -0.336272891636E+03 0.12146E-04 -0.21773E-05 2544 0.137E-02 5999 T= 7442. E= 0.67562779E+03 F= 0.61999610E+03 E0= 0.64802762E+03 EK= 0.60605E+02 SP= -.55E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336103640276E+03 0.16926E+00 -0.12852E-01 7736 0.259E+01 0.297E-01 RMM: 2 -0.336132575995E+03 -0.28936E-01 -0.10611E-01 5067 0.773E-01 0.170E+00 RMM: 3 -0.336111774179E+03 0.20802E-01 -0.13687E-02 5382 0.276E-01 0.299E-01 RMM: 4 -0.336111157133E+03 0.61705E-03 -0.15541E-03 4804 0.801E-02 0.885E-02 RMM: 5 -0.336111129051E+03 0.28083E-04 -0.16681E-04 3991 0.310E-02 0.897E-02 RMM: 6 -0.336111082302E+03 0.46749E-04 -0.29600E-05 2690 0.163E-02 0.545E-02 RMM: 7 -0.336111089622E+03 -0.73207E-05 -0.28476E-05 2638 0.163E-02 6000 T= 7489. E= 0.67562729E+03 F= 0.62015790E+03 E0= 0.64822258E+03 EK= 0.60982E+02 SP= -.59E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335630084447E+03 0.48100E+00 -0.13205E-01 7816 0.259E+01 0.290E-01 RMM: 2 -0.335654497739E+03 -0.24413E-01 -0.12035E-01 4892 0.817E-01 0.145E+00 RMM: 3 -0.335639549460E+03 0.14948E-01 -0.14912E-02 5409 0.277E-01 0.293E-01 RMM: 4 -0.335638959414E+03 0.59005E-03 -0.15580E-03 4853 0.822E-02 0.100E-01 RMM: 5 -0.335638995095E+03 -0.35681E-04 -0.21729E-04 3910 0.359E-02 0.131E-01 RMM: 6 -0.335638880544E+03 0.11455E-03 -0.59864E-05 3332 0.225E-02 0.359E-02 RMM: 7 -0.335638880027E+03 0.51634E-06 -0.16861E-05 2516 0.127E-02 6001 T= 7492. E= 0.67562965E+03 F= 0.62063011E+03 E0= 0.64873361E+03 EK= 0.61010E+02 SP= -.64E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334867896758E+03 0.77098E+00 -0.13348E-01 7856 0.258E+01 0.208E-01 RMM: 2 -0.334885960425E+03 -0.18064E-01 -0.12227E-01 4893 0.809E-01 0.103E+00 RMM: 3 -0.334878133695E+03 0.78267E-02 -0.13461E-02 5578 0.242E-01 0.200E-01 RMM: 4 -0.334877807964E+03 0.32573E-03 -0.95814E-04 4881 0.637E-02 0.945E-02 RMM: 5 -0.334877750377E+03 0.57588E-04 -0.11310E-04 3820 0.290E-02 0.746E-02 RMM: 6 -0.334877720454E+03 0.29923E-04 -0.26545E-05 2574 0.151E-02 0.558E-02 RMM: 7 -0.334877720713E+03 -0.25946E-06 -0.36241E-05 2712 0.169E-02 6002 T= 7455. E= 0.67563487E+03 F= 0.62139127E+03 E0= 0.64953843E+03 EK= 0.60708E+02 SP= -.67E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333877279973E+03 0.10004E+01 -0.14142E-01 7960 0.256E+01 0.198E-01 RMM: 2 -0.333894831871E+03 -0.17552E-01 -0.13380E-01 4851 0.852E-01 0.905E-01 RMM: 3 -0.333888673142E+03 0.61587E-02 -0.15036E-02 5811 0.236E-01 0.165E-01 RMM: 4 -0.333888350149E+03 0.32299E-03 -0.84324E-04 4837 0.635E-02 0.103E-01 RMM: 5 -0.333888301128E+03 0.49021E-04 -0.11402E-04 3827 0.292E-02 0.765E-02 RMM: 6 -0.333888268456E+03 0.32673E-04 -0.28711E-05 2650 0.163E-02 0.418E-02 RMM: 7 -0.333888275038E+03 -0.65820E-05 -0.21555E-05 2544 0.141E-02 6003 T= 7384. E= 0.67564234E+03 F= 0.62238071E+03 E0= 0.65057702E+03 EK= 0.60134E+02 SP= -.71E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332750871688E+03 0.11374E+01 -0.15089E-01 7784 0.254E+01 0.173E-01 RMM: 2 -0.332770165865E+03 -0.19294E-01 -0.17065E-01 4824 0.944E-01 0.718E-01 RMM: 3 -0.332765797525E+03 0.43683E-02 -0.18267E-02 5997 0.246E-01 0.169E-01 RMM: 4 -0.332765385395E+03 0.41213E-03 -0.83904E-04 4794 0.676E-02 0.114E-01 RMM: 5 -0.332765292591E+03 0.92803E-04 -0.11618E-04 3786 0.304E-02 0.710E-02 RMM: 6 -0.332765270625E+03 0.21966E-04 -0.29966E-05 2633 0.163E-02 0.560E-02 RMM: 7 -0.332765263269E+03 0.73560E-05 -0.55072E-05 3083 0.186E-02 6004 T= 7292. E= 0.67565119E+03 F= 0.62350373E+03 E0= 0.65175204E+03 EK= 0.59385E+02 SP= -.74E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331609118075E+03 0.11562E+01 -0.14747E-01 8032 0.251E+01 0.199E-01 RMM: 2 -0.331628722749E+03 -0.19605E-01 -0.14801E-01 4932 0.851E-01 0.945E-01 RMM: 3 -0.331621571799E+03 0.71510E-02 -0.14961E-02 5814 0.239E-01 0.174E-01 RMM: 4 -0.331621251761E+03 0.32004E-03 -0.80618E-04 4774 0.625E-02 0.114E-01 RMM: 5 -0.331621171799E+03 0.79961E-04 -0.11317E-04 3765 0.293E-02 0.739E-02 RMM: 6 -0.331621149730E+03 0.22070E-04 -0.31389E-05 2758 0.168E-02 0.559E-02 RMM: 7 -0.331621158689E+03 -0.89591E-05 -0.38325E-05 2717 0.170E-02 6005 T= 7193. E= 0.67565893E+03 F= 0.62464783E+03 E0= 0.65294945E+03 EK= 0.58576E+02 SP= -.77E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330541038149E+03 0.10801E+01 -0.15717E-01 8488 0.248E+01 0.188E-01 RMM: 2 -0.330559744260E+03 -0.18706E-01 -0.15727E-01 5201 0.833E-01 0.789E-01 RMM: 3 -0.330554224484E+03 0.55198E-02 -0.13326E-02 5812 0.226E-01 0.182E-01 RMM: 4 -0.330553921228E+03 0.30326E-03 -0.80622E-04 4751 0.618E-02 0.117E-01 RMM: 5 -0.330553825908E+03 0.95320E-04 -0.11139E-04 3725 0.277E-02 0.744E-02 RMM: 6 -0.330553805967E+03 0.19941E-04 -0.27902E-05 2661 0.157E-02 6006 T= 7099. E= 0.67566479E+03 F= 0.62571518E+03 E0= 0.65407052E+03 EK= 0.57808E+02 SP= -.80E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329609427487E+03 0.94440E+00 -0.19226E-01 8712 0.245E+01 0.228E-01 RMM: 2 -0.329639279527E+03 -0.29852E-01 -0.21048E-01 5136 0.957E-01 0.121E+00 RMM: 3 -0.329627470992E+03 0.11809E-01 -0.18562E-02 5567 0.276E-01 0.234E-01 RMM: 4 -0.329626984256E+03 0.48674E-03 -0.13023E-03 5019 0.725E-02 0.116E-01 RMM: 5 -0.329626911888E+03 0.72367E-04 -0.13262E-04 4270 0.287E-02 0.978E-02 RMM: 6 -0.329626895896E+03 0.15992E-04 -0.31824E-05 2657 0.167E-02 6007 T= 7018. E= 0.67566813E+03 F= 0.62664209E+03 E0= 0.65504992E+03 EK= 0.57149E+02 SP= -.82E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328845439809E+03 0.78147E+00 -0.22991E-01 8888 0.243E+01 0.543E-01 RMM: 2 -0.328926625340E+03 -0.81186E-01 -0.25369E-01 5035 0.109E+00 0.294E+00 RMM: 3 -0.328865394333E+03 0.61231E-01 -0.36787E-02 5391 0.452E-01 0.593E-01 RMM: 4 -0.328862686229E+03 0.27081E-02 -0.46815E-03 5382 0.143E-01 0.135E-01 RMM: 5 -0.328862636874E+03 0.49355E-04 -0.59623E-04 4755 0.414E-02 0.131E-01 RMM: 6 -0.328862537539E+03 0.99335E-04 -0.68071E-05 3373 0.227E-02 0.792E-02 RMM: 7 -0.328862618592E+03 -0.81052E-04 -0.12797E-04 3888 0.281E-02 0.140E-01 RMM: 8 -0.328862506690E+03 0.11190E-03 -0.12847E-04 3901 0.265E-02 0.532E-02 RMM: 9 -0.328862493263E+03 0.13427E-04 -0.23197E-05 2621 0.135E-02 6008 T= 6954. E= 0.67566850E+03 F= 0.62740650E+03 E0= 0.65586440E+03 EK= 0.56626E+02 SP= -.85E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328222189174E+03 0.64032E+00 -0.29678E-01 9016 0.241E+01 0.387E-01 RMM: 2 -0.328276430851E+03 -0.54242E-01 -0.30030E-01 5321 0.106E+00 0.196E+00 RMM: 3 -0.328247056755E+03 0.29374E-01 -0.26350E-02 5404 0.360E-01 0.401E-01 RMM: 4 -0.328246018001E+03 0.10388E-02 -0.33736E-03 5360 0.123E-01 0.208E-01 RMM: 5 -0.328245927124E+03 0.90877E-04 -0.49711E-04 4252 0.523E-02 0.183E-01 RMM: 6 -0.328245701758E+03 0.22537E-03 -0.14396E-04 3875 0.317E-02 0.610E-02 RMM: 7 -0.328245720633E+03 -0.18875E-04 -0.43697E-05 3126 0.182E-02 6009 T= 6905. E= 0.67566639E+03 F= 0.62802327E+03 E0= 0.65652593E+03 EK= 0.56227E+02 SP= -.87E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327709923549E+03 0.53578E+00 -0.37475E-01 9016 0.239E+01 0.301E-01 RMM: 2 -0.327755792625E+03 -0.45869E-01 -0.34324E-01 5520 0.113E+00 0.143E+00 RMM: 3 -0.327738682265E+03 0.17110E-01 -0.23885E-02 5573 0.316E-01 0.261E-01 RMM: 4 -0.327738077347E+03 0.60492E-03 -0.20138E-03 5422 0.830E-02 0.125E-01 RMM: 5 -0.327737999414E+03 0.77933E-04 -0.18400E-04 4388 0.324E-02 0.107E-01 RMM: 6 -0.327737966351E+03 0.33063E-04 -0.35399E-05 2858 0.174E-02 0.913E-02 RMM: 7 -0.327738012334E+03 -0.45983E-04 -0.13012E-04 3885 0.284E-02 0.132E-01 RMM: 8 -0.327737918225E+03 0.94109E-04 -0.13210E-04 3889 0.267E-02 0.610E-02 RMM: 9 -0.327737896295E+03 0.21929E-04 -0.26526E-05 2647 0.141E-02 0.236E-02 RMM: 10 -0.327737898887E+03 -0.25921E-05 -0.11274E-05 2470 0.109E-02 6010 T= 6867. E= 0.67566360E+03 F= 0.62853109E+03 E0= 0.65707374E+03 EK= 0.55919E+02 SP= -.89E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327257641819E+03 0.48025E+00 -0.49493E-01 8936 0.239E+01 0.220E-01 RMM: 2 -0.327299361163E+03 -0.41719E-01 -0.39523E-01 6041 0.119E+00 0.716E-01 RMM: 3 -0.327292484498E+03 0.68767E-02 -0.22564E-02 5801 0.277E-01 0.181E-01 RMM: 4 -0.327292158085E+03 0.32641E-03 -0.12843E-03 4952 0.759E-02 0.203E-01 RMM: 5 -0.327291878810E+03 0.27928E-03 -0.20950E-04 3938 0.379E-02 0.760E-02 RMM: 6 -0.327291861401E+03 0.17408E-04 -0.44481E-05 3058 0.191E-02 6011 T= 6835. E= 0.67566060E+03 F= 0.62897713E+03 E0= 0.65755187E+03 EK= 0.55657E+02 SP= -.90E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326829089629E+03 0.46279E+00 -0.60069E-01 8872 0.239E+01 0.269E-01 RMM: 2 -0.326884452433E+03 -0.55363E-01 -0.42456E-01 6276 0.122E+00 0.147E+00 RMM: 3 -0.326866399684E+03 0.18053E-01 -0.20478E-02 5585 0.300E-01 0.276E-01 RMM: 4 -0.326865800890E+03 0.59879E-03 -0.16443E-03 5037 0.790E-02 0.136E-01 RMM: 5 -0.326865734926E+03 0.65964E-04 -0.18150E-04 4647 0.307E-02 0.117E-01 RMM: 6 -0.326865721165E+03 0.13761E-04 -0.46488E-05 3111 0.196E-02 6012 T= 6803. E= 0.67565774E+03 F= 0.62940327E+03 E0= 0.65800453E+03 EK= 0.55401E+02 SP= -.92E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326398351998E+03 0.46738E+00 -0.69568E-01 8888 0.238E+01 0.581E-01 RMM: 2 -0.326520928272E+03 -0.12258E+00 -0.48731E-01 5498 0.132E+00 0.331E+00 RMM: 3 -0.326437931232E+03 0.82997E-01 -0.44572E-02 5375 0.492E-01 0.618E-01 RMM: 4 -0.326435254251E+03 0.26770E-02 -0.58083E-03 5485 0.150E-01 0.160E-01 RMM: 5 -0.326435198154E+03 0.56097E-04 -0.68250E-04 4527 0.471E-02 0.157E-01 RMM: 6 -0.326435077327E+03 0.12083E-03 -0.11307E-04 3768 0.277E-02 0.916E-02 RMM: 7 -0.326435204763E+03 -0.12744E-03 -0.11211E-04 3859 0.262E-02 0.163E-01 RMM: 8 -0.326435080776E+03 0.12399E-03 -0.16376E-04 3893 0.301E-02 0.760E-02 RMM: 9 -0.326435046062E+03 0.34714E-04 -0.35714E-05 2975 0.167E-02 0.248E-02 RMM: 10 -0.326435053437E+03 -0.73753E-05 -0.12723E-05 2484 0.114E-02 6013 T= 6770. E= 0.67565646E+03 F= 0.62983394E+03 E0= 0.65845514E+03 EK= 0.55128E+02 SP= -.93E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325953555875E+03 0.48149E+00 -0.78773E-01 8856 0.238E+01 0.567E-01 RMM: 2 -0.326067671641E+03 -0.11412E+00 -0.53671E-01 5480 0.140E+00 0.303E+00 RMM: 3 -0.325997923970E+03 0.69748E-01 -0.43312E-02 5394 0.471E-01 0.561E-01 RMM: 4 -0.325995794837E+03 0.21291E-02 -0.57745E-03 5427 0.156E-01 0.222E-01 RMM: 5 -0.325996036593E+03 -0.24176E-03 -0.93996E-04 4625 0.681E-02 0.287E-01 RMM: 6 -0.325995517553E+03 0.51904E-03 -0.31158E-04 3889 0.443E-02 0.852E-02 RMM: 7 -0.325995531755E+03 -0.14202E-04 -0.88059E-05 3629 0.242E-02 6014 T= 6734. E= 0.67565692E+03 F= 0.63027346E+03 E0= 0.65890767E+03 EK= 0.54837E+02 SP= -.95E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325523245293E+03 0.47227E+00 -0.80069E-01 8856 0.238E+01 0.352E-01 RMM: 2 -0.325587675284E+03 -0.64430E-01 -0.48458E-01 6136 0.132E+00 0.165E+00 RMM: 3 -0.325565948447E+03 0.21727E-01 -0.27105E-02 5495 0.353E-01 0.313E-01 RMM: 4 -0.325565279799E+03 0.66865E-03 -0.24758E-03 5481 0.941E-02 0.161E-01 RMM: 5 -0.325565199484E+03 0.80314E-04 -0.29190E-04 3995 0.390E-02 0.139E-01 RMM: 6 -0.325565090950E+03 0.10853E-03 -0.92971E-05 3623 0.266E-02 0.703E-02 RMM: 7 -0.325565151959E+03 -0.61009E-04 -0.76516E-05 3602 0.229E-02 0.118E-01 RMM: 8 -0.325565088178E+03 0.63781E-04 -0.79840E-05 3804 0.232E-02 0.626E-02 RMM: 9 -0.325565064879E+03 0.23299E-04 -0.22856E-05 2631 0.139E-02 0.214E-02 RMM: 10 -0.325565070305E+03 -0.54253E-05 -0.10236E-05 2466 0.997E-03 6015 T= 6698. E= 0.67565882E+03 F= 0.63070392E+03 E0= 0.65934326E+03 EK= 0.54546E+02 SP= -.96E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325144375173E+03 0.42069E+00 -0.78375E-01 8856 0.238E+01 0.313E-01 RMM: 2 -0.325202690173E+03 -0.58315E-01 -0.48979E-01 6100 0.135E+00 0.127E+00 RMM: 3 -0.325188515885E+03 0.14174E-01 -0.28103E-02 5623 0.331E-01 0.274E-01 RMM: 4 -0.325187965684E+03 0.55020E-03 -0.21649E-03 5239 0.968E-02 0.221E-01 RMM: 5 -0.325187718789E+03 0.24689E-03 -0.35594E-04 3974 0.443E-02 0.139E-01 RMM: 6 -0.325187603551E+03 0.11524E-03 -0.12422E-04 3864 0.303E-02 0.615E-02 RMM: 7 -0.325187663025E+03 -0.59474E-04 -0.84001E-05 3670 0.235E-02 0.114E-01 RMM: 8 -0.325187588288E+03 0.74737E-04 -0.61803E-05 3382 0.218E-02 0.462E-02 RMM: 9 -0.325187578434E+03 0.98539E-05 -0.20112E-05 2539 0.129E-02 6016 T= 6668. E= 0.67566199E+03 F= 0.63108141E+03 E0= 0.65971784E+03 EK= 0.54302E+02 SP= -.98E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324886788210E+03 0.30080E+00 -0.72874E-01 8872 0.238E+01 0.265E-01 RMM: 2 -0.324938774350E+03 -0.51986E-01 -0.47780E-01 5890 0.136E+00 0.943E-01 RMM: 3 -0.324929662820E+03 0.91115E-02 -0.29221E-02 6084 0.308E-01 0.204E-01 RMM: 4 -0.324929118119E+03 0.54470E-03 -0.16229E-03 5019 0.874E-02 0.210E-01 RMM: 5 -0.324928854972E+03 0.26315E-03 -0.28056E-04 3956 0.417E-02 0.100E-01 RMM: 6 -0.324928825680E+03 0.29292E-04 -0.87770E-05 3601 0.255E-02 0.822E-02 RMM: 7 -0.324928875104E+03 -0.49423E-04 -0.10252E-04 3878 0.262E-02 0.119E-01 RMM: 8 -0.324928787084E+03 0.88019E-04 -0.52104E-05 3235 0.207E-02 0.344E-02 RMM: 9 -0.324928788496E+03 -0.14123E-05 -0.19518E-05 2523 0.129E-02 6017 T= 6652. E= 0.67566591E+03 F= 0.63134020E+03 E0= 0.65996664E+03 EK= 0.54169E+02 SP= -.99E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324833259610E+03 0.95527E-01 -0.66656E-01 8920 0.238E+01 0.318E-01 RMM: 2 -0.324887475224E+03 -0.54216E-01 -0.46781E-01 5528 0.138E+00 0.115E+00 RMM: 3 -0.324874432148E+03 0.13043E-01 -0.32539E-02 5924 0.343E-01 0.299E-01 RMM: 4 -0.324873536834E+03 0.89531E-03 -0.22253E-03 5276 0.100E-01 0.179E-01 RMM: 5 -0.324873414521E+03 0.12231E-03 -0.36018E-04 3974 0.422E-02 0.140E-01 RMM: 6 -0.324873303313E+03 0.11121E-03 -0.11750E-04 3853 0.296E-02 0.731E-02 RMM: 7 -0.324873365156E+03 -0.61843E-04 -0.90633E-05 3674 0.248E-02 0.122E-01 RMM: 8 -0.324873283915E+03 0.81242E-04 -0.81335E-05 3729 0.238E-02 0.549E-02 RMM: 9 -0.324873268206E+03 0.15709E-04 -0.22912E-05 2626 0.139E-02 6018 T= 6660. E= 0.67567007E+03 F= 0.63139572E+03 E0= 0.66000882E+03 EK= 0.54234E+02 SP= -.10E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325071819359E+03 -0.19854E+00 -0.55414E-01 8936 0.238E+01 0.292E-01 RMM: 2 -0.325122168864E+03 -0.50350E-01 -0.41702E-01 5590 0.130E+00 0.123E+00 RMM: 3 -0.325108822568E+03 0.13346E-01 -0.29639E-02 5851 0.327E-01 0.242E-01 RMM: 4 -0.325108223289E+03 0.59928E-03 -0.20174E-03 5188 0.953E-02 0.196E-01 RMM: 5 -0.325108018223E+03 0.20507E-03 -0.32441E-04 3996 0.405E-02 0.124E-01 RMM: 6 -0.325107947209E+03 0.71014E-04 -0.93663E-05 3648 0.263E-02 0.818E-02 RMM: 7 -0.325107987939E+03 -0.40730E-04 -0.86597E-05 3712 0.240E-02 0.114E-01 RMM: 8 -0.325107918497E+03 0.69442E-04 -0.97423E-05 3881 0.256E-02 0.585E-02 RMM: 9 -0.325107900494E+03 0.18003E-04 -0.24410E-05 2673 0.143E-02 6019 T= 6702. E= 0.67567130E+03 F= 0.63116109E+03 E0= 0.65976127E+03 EK= 0.54581E+02 SP= -.10E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325644480822E+03 -0.53656E+00 -0.45559E-01 8864 0.239E+01 0.306E-01 RMM: 2 -0.325690269377E+03 -0.45789E-01 -0.36710E-01 5546 0.123E+00 0.125E+00 RMM: 3 -0.325676604313E+03 0.13665E-01 -0.26032E-02 5706 0.323E-01 0.292E-01 RMM: 4 -0.325675884692E+03 0.71962E-03 -0.20620E-03 5249 0.967E-02 0.164E-01 RMM: 5 -0.325675773548E+03 0.11114E-03 -0.31305E-04 3976 0.390E-02 0.128E-01 RMM: 6 -0.325675678555E+03 0.94994E-04 -0.80880E-05 3537 0.246E-02 0.696E-02 RMM: 7 -0.325675707549E+03 -0.28994E-04 -0.68887E-05 3496 0.221E-02 0.982E-02 RMM: 8 -0.325675655657E+03 0.51892E-04 -0.73656E-05 3648 0.220E-02 0.538E-02 RMM: 9 -0.325675641321E+03 0.14336E-04 -0.24302E-05 2667 0.144E-02 6020 T= 6784. E= 0.67566676E+03 F= 0.63059335E+03 E0= 0.65918356E+03 EK= 0.55247E+02 SP= -.10E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326507746708E+03 -0.83209E+00 -0.37588E-01 8872 0.242E+01 0.304E-01 RMM: 2 -0.326552712081E+03 -0.44965E-01 -0.31861E-01 5296 0.119E+00 0.149E+00 RMM: 3 -0.326535128697E+03 0.17583E-01 -0.24675E-02 5737 0.316E-01 0.261E-01 RMM: 4 -0.326534508076E+03 0.62062E-03 -0.19530E-03 5168 0.953E-02 0.157E-01 RMM: 5 -0.326534406847E+03 0.10123E-03 -0.29011E-04 4039 0.364E-02 0.128E-01 RMM: 6 -0.326534308175E+03 0.98672E-04 -0.78588E-05 3555 0.247E-02 0.591E-02 RMM: 7 -0.326534325395E+03 -0.17220E-04 -0.59284E-05 3348 0.210E-02 6021 T= 6900. E= 0.67565485E+03 F= 0.62973466E+03 E0= 0.65831864E+03 EK= 0.56188E+02 SP= -.10E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327530570537E+03 -0.99626E+00 -0.30416E-01 8920 0.246E+01 0.267E-01 RMM: 2 -0.327564817737E+03 -0.34247E-01 -0.25326E-01 5399 0.104E+00 0.125E+00 RMM: 3 -0.327552362736E+03 0.12455E-01 -0.18907E-02 5794 0.279E-01 0.284E-01 RMM: 4 -0.327551683013E+03 0.67972E-03 -0.15006E-03 4935 0.856E-02 0.128E-01 RMM: 5 -0.327551597961E+03 0.85051E-04 -0.23788E-04 3933 0.367E-02 0.103E-01 RMM: 6 -0.327551545876E+03 0.52086E-04 -0.62460E-05 3381 0.219E-02 0.685E-02 RMM: 7 -0.327551573455E+03 -0.27580E-04 -0.81061E-05 3681 0.242E-02 0.995E-02 RMM: 8 -0.327551511981E+03 0.61475E-04 -0.72137E-05 3551 0.224E-02 0.448E-02 RMM: 9 -0.327551508383E+03 0.35980E-05 -0.22893E-05 2618 0.139E-02 6022 T= 7033. E= 0.67564115E+03 F= 0.62871748E+03 E0= 0.65729829E+03 EK= 0.57270E+02 SP= -.10E+02 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328538661965E+03 -0.98715E+00 -0.26883E-01 8832 0.250E+01 0.292E-01 RMM: 2 -0.328577000563E+03 -0.38339E-01 -0.27203E-01 5180 0.111E+00 0.138E+00 RMM: 3 -0.328561604471E+03 0.15396E-01 -0.23355E-02 5819 0.302E-01 0.219E-01 RMM: 4 -0.328561246160E+03 0.35831E-03 -0.16452E-03 5050 0.894E-02 0.202E-01 RMM: 5 -0.328560983378E+03 0.26278E-03 -0.26411E-04 3917 0.383E-02 0.107E-01 RMM: 6 -0.328560921704E+03 0.61673E-04 -0.68683E-05 3456 0.232E-02 0.576E-02 RMM: 7 -0.328560928017E+03 -0.63124E-05 -0.43168E-05 3024 0.182E-02 6023 T= 7162. E= 0.67563043E+03 F= 0.62770806E+03 E0= 0.65628717E+03 EK= 0.58327E+02 SP= -.10E+02 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329412498673E+03 -0.85158E+00 -0.23537E-01 9024 0.252E+01 0.250E-01 RMM: 2 -0.329441453885E+03 -0.28955E-01 -0.23020E-01 5550 0.989E-01 0.108E+00 RMM: 3 -0.329432072529E+03 0.93814E-02 -0.16077E-02 6025 0.252E-01 0.264E-01 RMM: 4 -0.329431487929E+03 0.58460E-03 -0.11203E-03 4754 0.736E-02 0.130E-01 RMM: 5 -0.329431378562E+03 0.10937E-03 -0.16180E-04 4018 0.314E-02 0.956E-02 RMM: 6 -0.329431366215E+03 0.12348E-04 -0.48166E-05 3138 0.199E-02 6024 T= 7272. E= 0.67562480E+03 F= 0.62683762E+03 E0= 0.65541662E+03 EK= 0.59222E+02 SP= -.10E+02 SK= 0.35E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330085392256E+03 -0.65401E+00 -0.23116E-01 8792 0.254E+01 0.372E-01 RMM: 2 -0.330139188813E+03 -0.53797E-01 -0.26718E-01 5130 0.109E+00 0.209E+00 RMM: 3 -0.330107712126E+03 0.31477E-01 -0.27295E-02 5463 0.361E-01 0.368E-01 RMM: 4 -0.330106749791E+03 0.96233E-03 -0.28064E-03 5450 0.101E-01 0.139E-01 RMM: 5 -0.330106638622E+03 0.11117E-03 -0.27290E-04 4561 0.328E-02 0.117E-01 RMM: 6 -0.330106582906E+03 0.55716E-04 -0.42473E-05 3041 0.190E-02 0.933E-02 RMM: 7 -0.330106631491E+03 -0.48585E-04 -0.13671E-04 3885 0.299E-02 0.138E-01 RMM: 8 -0.330106506958E+03 0.12453E-03 -0.18054E-04 3903 0.293E-02 0.562E-02 RMM: 9 -0.330106492719E+03 0.14239E-04 -0.34476E-05 2793 0.160E-02 6025 T= 7355. E= 0.67562435E+03 F= 0.62616250E+03 E0= 0.65474329E+03 EK= 0.59895E+02 SP= -.10E+02 SK= 0.65E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330578197756E+03 -0.47169E+00 -0.21108E-01 8888 0.253E+01 0.431E-01 RMM: 2 -0.330633360067E+03 -0.55162E-01 -0.25416E-01 5009 0.107E+00 0.221E+00 RMM: 3 -0.330598887537E+03 0.34473E-01 -0.27726E-02 5421 0.376E-01 0.453E-01 RMM: 4 -0.330597541066E+03 0.13465E-02 -0.35499E-03 5388 0.127E-01 0.179E-01 RMM: 5 -0.330597497338E+03 0.43728E-04 -0.46796E-04 4018 0.471E-02 0.182E-01 RMM: 6 -0.330597282430E+03 0.21491E-03 -0.12645E-04 3867 0.308E-02 0.601E-02 RMM: 7 -0.330597287211E+03 -0.47811E-05 -0.43700E-05 3123 0.176E-02 6026 T= 7411. E= 0.67562702E+03 F= 0.62567170E+03 E0= 0.65425299E+03 EK= 0.60349E+02 SP= -.10E+02 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330928643394E+03 -0.33136E+00 -0.19228E-01 8848 0.253E+01 0.283E-01 RMM: 2 -0.330967314331E+03 -0.38671E-01 -0.22631E-01 5330 0.964E-01 0.160E+00 RMM: 3 -0.330947351763E+03 0.19963E-01 -0.18908E-02 5453 0.297E-01 0.291E-01 RMM: 4 -0.330946752049E+03 0.59971E-03 -0.18828E-03 5055 0.847E-02 0.121E-01 RMM: 5 -0.330946676644E+03 0.75405E-04 -0.19900E-04 4165 0.335E-02 0.102E-01 RMM: 6 -0.330946626938E+03 0.49706E-04 -0.37966E-05 2928 0.178E-02 0.783E-02 RMM: 7 -0.330946656010E+03 -0.29071E-04 -0.78971E-05 3589 0.235E-02 0.114E-01 RMM: 8 -0.330946572374E+03 0.83636E-04 -0.14642E-04 3886 0.289E-02 0.564E-02 RMM: 9 -0.330946555327E+03 0.17048E-04 -0.28691E-05 2675 0.145E-02 6027 T= 7444. E= 0.67562932E+03 F= 0.62532243E+03 E0= 0.65390475E+03 EK= 0.60622E+02 SP= -.10E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331168206164E+03 -0.22163E+00 -0.20087E-01 8784 0.252E+01 0.249E-01 RMM: 2 -0.331200161664E+03 -0.31956E-01 -0.25165E-01 5050 0.105E+00 0.113E+00 RMM: 3 -0.331189545621E+03 0.10616E-01 -0.21379E-02 5914 0.286E-01 0.191E-01 RMM: 4 -0.331189182762E+03 0.36286E-03 -0.14218E-03 4974 0.838E-02 0.177E-01 RMM: 5 -0.331188988637E+03 0.19413E-03 -0.22436E-04 3910 0.365E-02 0.970E-02 RMM: 6 -0.331188931461E+03 0.57175E-04 -0.50065E-05 3187 0.203E-02 0.516E-02 RMM: 7 -0.331188928733E+03 0.27283E-05 -0.30306E-05 2637 0.163E-02 6028 T= 7459. E= 0.67562878E+03 F= 0.62508006E+03 E0= 0.65366210E+03 EK= 0.60743E+02 SP= -.10E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331302982132E+03 -0.11405E+00 -0.21207E-01 8904 0.252E+01 0.212E-01 RMM: 2 -0.331331996619E+03 -0.29014E-01 -0.24344E-01 5182 0.102E+00 0.954E-01 RMM: 3 -0.331323877235E+03 0.81194E-02 -0.19630E-02 5982 0.270E-01 0.232E-01 RMM: 4 -0.331323277453E+03 0.59978E-03 -0.10873E-03 4864 0.726E-02 0.103E-01 RMM: 5 -0.331323212591E+03 0.64862E-04 -0.14555E-04 4401 0.292E-02 0.811E-02 RMM: 6 -0.331323194009E+03 0.18582E-04 -0.28376E-05 2613 0.156E-02 6029 T= 7455. E= 0.67562585E+03 F= 0.62494580E+03 E0= 0.65352694E+03 EK= 0.60711E+02 SP= -.10E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331293423162E+03 0.29789E-01 -0.22256E-01 8912 0.252E+01 0.322E-01 RMM: 2 -0.331336519965E+03 -0.43097E-01 -0.25547E-01 5237 0.103E+00 0.172E+00 RMM: 3 -0.331314745688E+03 0.21774E-01 -0.22715E-02 5495 0.325E-01 0.311E-01 RMM: 4 -0.331314005591E+03 0.74010E-03 -0.21252E-03 5110 0.904E-02 0.129E-01 RMM: 5 -0.331313909748E+03 0.95843E-04 -0.23144E-04 4429 0.344E-02 0.982E-02 RMM: 6 -0.331313871625E+03 0.38123E-04 -0.35673E-05 2811 0.176E-02 0.788E-02 RMM: 7 -0.331313897841E+03 -0.26215E-04 -0.79933E-05 3644 0.236E-02 0.109E-01 RMM: 8 -0.331313825294E+03 0.72546E-04 -0.12469E-04 3889 0.250E-02 0.499E-02 RMM: 9 -0.331313816315E+03 0.89797E-05 -0.26441E-05 2660 0.145E-02 6030 T= 7429. E= 0.67562285E+03 F= 0.62495517E+03 E0= 0.65353572E+03 EK= 0.60494E+02 SP= -.99E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331095967863E+03 0.21786E+00 -0.24083E-01 8960 0.252E+01 0.357E-01 RMM: 2 -0.331139839381E+03 -0.43872E-01 -0.28969E-01 5103 0.112E+00 0.162E+00 RMM: 3 -0.331119938999E+03 0.19900E-01 -0.26434E-02 5599 0.337E-01 0.355E-01 RMM: 4 -0.331119051436E+03 0.88756E-03 -0.26751E-03 5224 0.113E-01 0.200E-01 RMM: 5 -0.331118913583E+03 0.13785E-03 -0.43277E-04 4042 0.487E-02 0.160E-01 RMM: 6 -0.331118750555E+03 0.16303E-03 -0.11497E-04 3831 0.293E-02 0.518E-02 RMM: 7 -0.331118762103E+03 -0.11548E-04 -0.35738E-05 2913 0.166E-02 6031 T= 7375. E= 0.67562176E+03 F= 0.62515023E+03 E0= 0.65373049E+03 EK= 0.60054E+02 SP= -.97E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330691600185E+03 0.42715E+00 -0.25778E-01 8912 0.252E+01 0.260E-01 RMM: 2 -0.330731110559E+03 -0.39510E-01 -0.29357E-01 5433 0.110E+00 0.133E+00 RMM: 3 -0.330716436028E+03 0.14675E-01 -0.21481E-02 5723 0.292E-01 0.250E-01 RMM: 4 -0.330715845242E+03 0.59079E-03 -0.15262E-03 4992 0.811E-02 0.125E-01 RMM: 5 -0.330715762941E+03 0.82300E-04 -0.19818E-04 4507 0.320E-02 0.984E-02 RMM: 6 -0.330715729740E+03 0.33201E-04 -0.32515E-05 2698 0.169E-02 0.817E-02 RMM: 7 -0.330715732878E+03 -0.31379E-05 -0.10533E-04 3870 0.242E-02 6032 T= 7291. E= 0.67562258E+03 F= 0.62555326E+03 E0= 0.65413439E+03 EK= 0.59373E+02 SP= -.94E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330084720077E+03 0.63101E+00 -0.26916E-01 9072 0.251E+01 0.266E-01 RMM: 2 -0.330125087427E+03 -0.40367E-01 -0.31777E-01 5254 0.116E+00 0.125E+00 RMM: 3 -0.330111899264E+03 0.13188E-01 -0.25775E-02 5882 0.308E-01 0.228E-01 RMM: 4 -0.330111320265E+03 0.57900E-03 -0.15751E-03 5009 0.850E-02 0.160E-01 RMM: 5 -0.330111166843E+03 0.15342E-03 -0.21626E-04 4031 0.355E-02 0.946E-02 RMM: 6 -0.330111126929E+03 0.39914E-04 -0.49098E-05 3172 0.199E-02 0.661E-02 RMM: 7 -0.330111131175E+03 -0.42458E-05 -0.38426E-05 2744 0.178E-02 6033 T= 7179. E= 0.67562472E+03 F= 0.62615786E+03 E0= 0.65474098E+03 EK= 0.58461E+02 SP= -.92E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329312533574E+03 0.79859E+00 -0.28272E-01 9040 0.249E+01 0.227E-01 RMM: 2 -0.329349623218E+03 -0.37090E-01 -0.31774E-01 5405 0.116E+00 0.102E+00 RMM: 3 -0.329340095836E+03 0.95274E-02 -0.22740E-02 5918 0.290E-01 0.210E-01 RMM: 4 -0.329339583761E+03 0.51207E-03 -0.13021E-03 4947 0.788E-02 0.148E-01 RMM: 5 -0.329339444381E+03 0.13938E-03 -0.18002E-04 3979 0.335E-02 0.909E-02 RMM: 6 -0.329339414573E+03 0.29808E-04 -0.39965E-05 3004 0.182E-02 0.718E-02 RMM: 7 -0.329339415265E+03 -0.69126E-06 -0.64958E-05 3394 0.204E-02 6034 T= 7044. E= 0.67562865E+03 F= 0.62692957E+03 E0= 0.65551561E+03 EK= 0.57361E+02 SP= -.89E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328432422479E+03 0.90699E+00 -0.26445E-01 9016 0.246E+01 0.241E-01 RMM: 2 -0.328467636812E+03 -0.35214E-01 -0.28411E-01 5721 0.104E+00 0.112E+00 RMM: 3 -0.328456137082E+03 0.11500E-01 -0.16321E-02 5751 0.264E-01 0.223E-01 RMM: 4 -0.328455738883E+03 0.39820E-03 -0.12777E-03 4867 0.755E-02 0.142E-01 RMM: 5 -0.328455627340E+03 0.11154E-03 -0.17143E-04 3941 0.329E-02 0.963E-02 RMM: 6 -0.328455585115E+03 0.42225E-04 -0.45279E-05 3104 0.196E-02 0.641E-02 RMM: 7 -0.328455600840E+03 -0.15725E-04 -0.60072E-05 3334 0.203E-02 6035 T= 6893. E= 0.67563372E+03 F= 0.62781339E+03 E0= 0.65640094E+03 EK= 0.56134E+02 SP= -.85E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327504470490E+03 0.95111E+00 -0.26113E-01 8928 0.243E+01 0.233E-01 RMM: 2 -0.327536590764E+03 -0.32120E-01 -0.26702E-01 5968 0.100E+00 0.101E+00 RMM: 3 -0.327526964509E+03 0.96263E-02 -0.13290E-02 5581 0.249E-01 0.214E-01 RMM: 4 -0.327526699430E+03 0.26508E-03 -0.11926E-03 4876 0.715E-02 0.146E-01 RMM: 5 -0.327526558044E+03 0.14139E-03 -0.15800E-04 3936 0.318E-02 0.853E-02 RMM: 6 -0.327526523988E+03 0.34056E-04 -0.39644E-05 3034 0.185E-02 0.569E-02 RMM: 7 -0.327526530929E+03 -0.69410E-05 -0.49339E-05 2997 0.186E-02 6036 T= 6736. E= 0.67563877E+03 F= 0.62874246E+03 E0= 0.65732973E+03 EK= 0.54854E+02 SP= -.82E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326602335773E+03 0.92419E+00 -0.26168E-01 8960 0.240E+01 0.212E-01 RMM: 2 -0.326632967717E+03 -0.30632E-01 -0.25473E-01 6062 0.987E-01 0.979E-01 RMM: 3 -0.326624220880E+03 0.87468E-02 -0.12106E-02 5577 0.240E-01 0.204E-01 RMM: 4 -0.326623933050E+03 0.28783E-03 -0.10492E-03 4874 0.676E-02 0.129E-01 RMM: 5 -0.326623835940E+03 0.97110E-04 -0.14106E-04 3901 0.310E-02 0.876E-02 RMM: 6 -0.326623798190E+03 0.37749E-04 -0.38710E-05 3000 0.184E-02 0.595E-02 RMM: 7 -0.326623809683E+03 -0.11492E-04 -0.53535E-05 3200 0.194E-02 6037 T= 6582. E= 0.67564254E+03 F= 0.62964518E+03 E0= 0.65822895E+03 EK= 0.53598E+02 SP= -.78E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325793506512E+03 0.83029E+00 -0.25024E-01 8816 0.237E+01 0.229E-01 RMM: 2 -0.325822857218E+03 -0.29351E-01 -0.24234E-01 5896 0.968E-01 0.984E-01 RMM: 3 -0.325813912087E+03 0.89451E-02 -0.12853E-02 5606 0.248E-01 0.195E-01 RMM: 4 -0.325813683456E+03 0.22863E-03 -0.10650E-03 4889 0.670E-02 0.130E-01 RMM: 5 -0.325813572751E+03 0.11071E-03 -0.13532E-04 3960 0.293E-02 0.866E-02 RMM: 6 -0.325813534900E+03 0.37851E-04 -0.35734E-05 2950 0.179E-02 0.510E-02 RMM: 7 -0.325813546493E+03 -0.11593E-04 -0.34535E-05 2700 0.167E-02 6038 T= 6439. E= 0.67564589E+03 F= 0.63045544E+03 E0= 0.65903325E+03 EK= 0.52439E+02 SP= -.75E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325131728685E+03 0.68181E+00 -0.23364E-01 8896 0.234E+01 0.189E-01 RMM: 2 -0.325156806947E+03 -0.25078E-01 -0.22187E-01 6105 0.928E-01 0.774E-01 RMM: 3 -0.325150732999E+03 0.60739E-02 -0.10887E-02 5635 0.222E-01 0.160E-01 RMM: 4 -0.325150560444E+03 0.17256E-03 -0.82598E-04 4883 0.599E-02 0.132E-01 RMM: 5 -0.325150451551E+03 0.10889E-03 -0.11794E-04 3842 0.294E-02 0.784E-02 RMM: 6 -0.325150421663E+03 0.29887E-04 -0.33912E-05 2897 0.174E-02 0.549E-02 RMM: 7 -0.325150431831E+03 -0.10168E-04 -0.39440E-05 2779 0.177E-02 6039 T= 6316. E= 0.67564813E+03 F= 0.63111856E+03 E0= 0.65968715E+03 EK= 0.51435E+02 SP= -.71E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324652703502E+03 0.49772E+00 -0.21449E-01 8920 0.232E+01 0.240E-01 RMM: 2 -0.324680462122E+03 -0.27759E-01 -0.21751E-01 5474 0.955E-01 0.105E+00 RMM: 3 -0.324670869838E+03 0.95923E-02 -0.14882E-02 5762 0.258E-01 0.196E-01 RMM: 4 -0.324670558445E+03 0.31139E-03 -0.11177E-03 4865 0.698E-02 0.123E-01 RMM: 5 -0.324670485654E+03 0.72791E-04 -0.15239E-04 3924 0.315E-02 0.968E-02 RMM: 6 -0.324670429724E+03 0.55930E-04 -0.42471E-05 3052 0.193E-02 0.447E-02 RMM: 7 -0.324670437810E+03 -0.80860E-05 -0.25927E-05 2583 0.154E-02 6040 T= 6217. E= 0.67564911E+03 F= 0.63159855E+03 E0= 0.66015591E+03 EK= 0.50625E+02 SP= -.68E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324373369172E+03 0.29706E+00 -0.18151E-01 8912 0.230E+01 0.210E-01 RMM: 2 -0.324397224904E+03 -0.23856E-01 -0.18733E-01 5679 0.869E-01 0.976E-01 RMM: 3 -0.324388767938E+03 0.84570E-02 -0.11647E-02 5824 0.223E-01 0.189E-01 RMM: 4 -0.324388471445E+03 0.29649E-03 -0.87383E-04 4804 0.628E-02 0.110E-01 RMM: 5 -0.324388407654E+03 0.63791E-04 -0.12411E-04 3813 0.288E-02 0.819E-02 RMM: 6 -0.324388371044E+03 0.36611E-04 -0.32178E-05 2884 0.171E-02 0.483E-02 RMM: 7 -0.324388378552E+03 -0.75088E-05 -0.25230E-05 2584 0.146E-02 6041 T= 6143. E= 0.67564897E+03 F= 0.63188061E+03 E0= 0.66042476E+03 EK= 0.50028E+02 SP= -.65E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324284403694E+03 0.10397E+00 -0.15891E-01 8976 0.229E+01 0.242E-01 RMM: 2 -0.324308442574E+03 -0.24039E-01 -0.17137E-01 5353 0.860E-01 0.110E+00 RMM: 3 -0.324298328724E+03 0.10114E-01 -0.13286E-02 5647 0.245E-01 0.229E-01 RMM: 4 -0.324297934264E+03 0.39446E-03 -0.11401E-03 4867 0.694E-02 0.107E-01 RMM: 5 -0.324297899318E+03 0.34946E-04 -0.15939E-04 3877 0.321E-02 0.102E-01 RMM: 6 -0.324297831910E+03 0.67407E-04 -0.44783E-05 3098 0.199E-02 0.385E-02 RMM: 7 -0.324297837510E+03 -0.56000E-05 -0.23531E-05 2554 0.147E-02 6042 T= 6095. E= 0.67564783E+03 F= 0.63197115E+03 E0= 0.66050068E+03 EK= 0.49637E+02 SP= -.62E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324359378994E+03 -0.61547E-01 -0.14007E-01 8856 0.228E+01 0.222E-01 RMM: 2 -0.324380815215E+03 -0.21436E-01 -0.14924E-01 5349 0.816E-01 0.107E+00 RMM: 3 -0.324371383193E+03 0.94320E-02 -0.11768E-02 5921 0.222E-01 0.214E-01 RMM: 4 -0.324370987642E+03 0.39555E-03 -0.90218E-04 4727 0.657E-02 0.950E-02 RMM: 5 -0.324370953853E+03 0.33789E-04 -0.12947E-04 3790 0.288E-02 0.848E-02 RMM: 6 -0.324370911666E+03 0.42187E-04 -0.30626E-05 2830 0.170E-02 0.427E-02 RMM: 7 -0.324370916156E+03 -0.44897E-05 -0.20349E-05 2532 0.134E-02 6043 T= 6069. E= 0.67564500E+03 F= 0.63189807E+03 E0= 0.66041124E+03 EK= 0.49424E+02 SP= -.59E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324546110835E+03 -0.17520E+00 -0.12963E-01 8784 0.227E+01 0.196E-01 RMM: 2 -0.324563242967E+03 -0.17132E-01 -0.12911E-01 5455 0.747E-01 0.887E-01 RMM: 3 -0.324556396549E+03 0.68464E-02 -0.93395E-03 5658 0.202E-01 0.201E-01 RMM: 4 -0.324556116129E+03 0.28042E-03 -0.81726E-04 4811 0.593E-02 0.956E-02 RMM: 5 -0.324556076825E+03 0.39304E-04 -0.11636E-04 3776 0.273E-02 0.857E-02 RMM: 6 -0.324556031452E+03 0.45373E-04 -0.32240E-05 2937 0.174E-02 0.370E-02 RMM: 7 -0.324556033609E+03 -0.21572E-05 -0.26656E-05 2542 0.156E-02 6044 T= 6059. E= 0.67564083E+03 F= 0.63171296E+03 E0= 0.66020771E+03 EK= 0.49338E+02 SP= -.56E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324775523699E+03 -0.21949E+00 -0.12295E-01 8624 0.227E+01 0.164E-01 RMM: 2 -0.324789391233E+03 -0.13868E-01 -0.12310E-01 5209 0.757E-01 0.634E-01 RMM: 3 -0.324785746474E+03 0.36448E-02 -0.10674E-02 6200 0.194E-01 0.146E-01 RMM: 4 -0.324785487443E+03 0.25903E-03 -0.54443E-04 4554 0.535E-02 0.105E-01 RMM: 5 -0.324785415860E+03 0.71583E-04 -0.86786E-05 3568 0.252E-02 0.642E-02 RMM: 6 -0.324785395039E+03 0.20821E-04 -0.22850E-05 2562 0.146E-02 0.398E-02 RMM: 7 -0.324785395590E+03 -0.55098E-06 -0.22275E-05 2538 0.140E-02 6045 T= 6055. E= 0.67563579E+03 F= 0.63148359E+03 E0= 0.65995671E+03 EK= 0.49311E+02 SP= -.53E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324972455605E+03 -0.18706E+00 -0.11789E-01 8616 0.227E+01 0.169E-01 RMM: 2 -0.324986244179E+03 -0.13789E-01 -0.10865E-01 5401 0.695E-01 0.771E-01 RMM: 3 -0.324981217571E+03 0.50266E-02 -0.84536E-03 6077 0.176E-01 0.166E-01 RMM: 4 -0.324980956723E+03 0.26085E-03 -0.54766E-04 4610 0.526E-02 0.903E-02 RMM: 5 -0.324980903243E+03 0.53480E-04 -0.79180E-05 3531 0.231E-02 0.623E-02 RMM: 6 -0.324980886143E+03 0.17100E-04 -0.21373E-05 2564 0.144E-02 6046 T= 6050. E= 0.67563089E+03 F= 0.63128810E+03 E0= 0.65973588E+03 EK= 0.49267E+02 SP= -.50E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325057920163E+03 -0.77017E-01 -0.11713E-01 8680 0.227E+01 0.197E-01 RMM: 2 -0.325074194600E+03 -0.16274E-01 -0.10117E-01 5459 0.665E-01 0.102E+00 RMM: 3 -0.325065922823E+03 0.82718E-02 -0.81063E-03 5579 0.188E-01 0.202E-01 RMM: 4 -0.325065621509E+03 0.30131E-03 -0.75022E-04 4786 0.563E-02 0.828E-02 RMM: 5 -0.325065580405E+03 0.41105E-04 -0.86693E-05 3745 0.228E-02 0.678E-02 RMM: 6 -0.325065560598E+03 0.19807E-04 -0.20164E-05 2568 0.135E-02 6047 T= 6033. E= 0.67562719E+03 F= 0.63120343E+03 E0= 0.65962096E+03 EK= 0.49130E+02 SP= -.48E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324971582593E+03 0.93998E-01 -0.11991E-01 8536 0.227E+01 0.295E-01 RMM: 2 -0.324999171111E+03 -0.27589E-01 -0.10278E-01 5339 0.709E-01 0.167E+00 RMM: 3 -0.324979269188E+03 0.19902E-01 -0.11977E-02 5395 0.255E-01 0.287E-01 RMM: 4 -0.324978653615E+03 0.61557E-03 -0.14325E-03 4753 0.771E-02 0.826E-02 RMM: 5 -0.324978623283E+03 0.30332E-04 -0.15452E-04 4060 0.288E-02 0.833E-02 RMM: 6 -0.324978586456E+03 0.36827E-04 -0.25891E-05 2609 0.157E-02 0.523E-02 RMM: 7 -0.324978600048E+03 -0.13592E-04 -0.29929E-05 2690 0.166E-02 6048 T= 5997. E= 0.67562517E+03 F= 0.63129039E+03 E0= 0.65967211E+03 EK= 0.48840E+02 SP= -.46E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324682472550E+03 0.29611E+00 -0.11521E-01 8640 0.227E+01 0.274E-01 RMM: 2 -0.324704173653E+03 -0.21701E-01 -0.99791E-02 5358 0.672E-01 0.139E+00 RMM: 3 -0.324689922609E+03 0.14251E-01 -0.10407E-02 5384 0.237E-01 0.287E-01 RMM: 4 -0.324689423786E+03 0.49882E-03 -0.14074E-03 4693 0.789E-02 0.121E-01 RMM: 5 -0.324689441583E+03 -0.17797E-04 -0.21565E-04 3892 0.368E-02 0.139E-01 RMM: 6 -0.324689315491E+03 0.12609E-03 -0.67734E-05 3457 0.244E-02 0.350E-02 RMM: 7 -0.324689313407E+03 0.20833E-05 -0.15882E-05 2520 0.120E-02 6049 T= 5940. E= 0.67562520E+03 F= 0.63157968E+03 E0= 0.65992039E+03 EK= 0.48369E+02 SP= -.44E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324193193080E+03 0.49612E+00 -0.12111E-01 8640 0.226E+01 0.235E-01 RMM: 2 -0.324214132163E+03 -0.20939E-01 -0.11426E-01 5215 0.730E-01 0.127E+00 RMM: 3 -0.324202319489E+03 0.11813E-01 -0.11093E-02 5574 0.225E-01 0.206E-01 RMM: 4 -0.324201981129E+03 0.33836E-03 -0.98133E-04 4918 0.624E-02 0.856E-02 RMM: 5 -0.324201933643E+03 0.47485E-04 -0.11361E-04 3791 0.272E-02 0.742E-02 RMM: 6 -0.324201900734E+03 0.32909E-04 -0.28282E-05 2747 0.162E-02 0.438E-02 RMM: 7 -0.324201904538E+03 -0.38039E-05 -0.24811E-05 2582 0.144E-02 6050 T= 5861. E= 0.67562850E+03 F= 0.63206708E+03 E0= 0.66035991E+03 EK= 0.47725E+02 SP= -.42E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323553840542E+03 0.64806E+00 -0.12197E-01 8688 0.224E+01 0.175E-01 RMM: 2 -0.323568368119E+03 -0.14528E-01 -0.11187E-01 5215 0.707E-01 0.809E-01 RMM: 3 -0.323562981299E+03 0.53868E-02 -0.95509E-03 5814 0.195E-01 0.148E-01 RMM: 4 -0.323562780585E+03 0.20071E-03 -0.63277E-04 4849 0.517E-02 0.898E-02 RMM: 5 -0.323562736350E+03 0.44235E-04 -0.80121E-05 3574 0.239E-02 0.631E-02 RMM: 6 -0.323562714796E+03 0.21554E-04 -0.22213E-05 2573 0.144E-02 0.381E-02 RMM: 7 -0.323562720172E+03 -0.53760E-05 -0.20595E-05 2531 0.139E-02 6051 T= 5766. E= 0.67563386E+03 F= 0.63270627E+03 E0= 0.66094691E+03 EK= 0.46955E+02 SP= -.41E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322845854790E+03 0.71686E+00 -0.13248E-01 8576 0.223E+01 0.182E-01 RMM: 2 -0.322862748093E+03 -0.16893E-01 -0.13675E-01 5159 0.789E-01 0.808E-01 RMM: 3 -0.322857272276E+03 0.54758E-02 -0.12391E-02 6040 0.205E-01 0.151E-01 RMM: 4 -0.322856982494E+03 0.28978E-03 -0.68772E-04 4728 0.573E-02 0.101E-01 RMM: 5 -0.322856924154E+03 0.58340E-04 -0.97108E-05 3648 0.250E-02 0.727E-02 RMM: 6 -0.322856894239E+03 0.29915E-04 -0.27055E-05 2670 0.162E-02 0.363E-02 RMM: 7 -0.322856896574E+03 -0.23347E-05 -0.16783E-05 2509 0.122E-02 6052 T= 5667. E= 0.67564155E+03 F= 0.63341209E+03 E0= 0.66159549E+03 EK= 0.46148E+02 SP= -.39E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322187887127E+03 0.66901E+00 -0.13726E-01 8552 0.221E+01 0.175E-01 RMM: 2 -0.322204637142E+03 -0.16750E-01 -0.13685E-01 5197 0.794E-01 0.786E-01 RMM: 3 -0.322199245307E+03 0.53918E-02 -0.11627E-02 5964 0.210E-01 0.145E-01 RMM: 4 -0.322199008882E+03 0.23642E-03 -0.64295E-04 4929 0.534E-02 0.920E-02 RMM: 5 -0.322198961739E+03 0.47143E-04 -0.84747E-05 3595 0.247E-02 0.639E-02 RMM: 6 -0.322198941403E+03 0.20336E-04 -0.23727E-05 2573 0.148E-02 0.413E-02 RMM: 7 -0.322198947052E+03 -0.56498E-05 -0.27571E-05 2599 0.157E-02 6053 T= 5577. E= 0.67564943E+03 F= 0.63407004E+03 E0= 0.66219321E+03 EK= 0.45418E+02 SP= -.38E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321704381216E+03 0.49456E+00 -0.13805E-01 8728 0.220E+01 0.171E-01 RMM: 2 -0.321720113836E+03 -0.15733E-01 -0.13509E-01 5141 0.795E-01 0.701E-01 RMM: 3 -0.321715682005E+03 0.44318E-02 -0.11923E-02 6165 0.206E-01 0.138E-01 RMM: 4 -0.321715422737E+03 0.25927E-03 -0.60048E-04 4675 0.553E-02 0.101E-01 RMM: 5 -0.321715364010E+03 0.58727E-04 -0.84750E-05 3553 0.248E-02 0.657E-02 RMM: 6 -0.321715341342E+03 0.22668E-04 -0.24008E-05 2565 0.152E-02 0.344E-02 RMM: 7 -0.321715344352E+03 -0.30096E-05 -0.15677E-05 2498 0.122E-02 6054 T= 5513. E= 0.67565722E+03 F= 0.63455364E+03 E0= 0.66261601E+03 EK= 0.44894E+02 SP= -.38E+01 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321521253477E+03 0.19409E+00 -0.13251E-01 9024 0.220E+01 0.175E-01 RMM: 2 -0.321536278912E+03 -0.15025E-01 -0.12347E-01 5283 0.742E-01 0.755E-01 RMM: 3 -0.321531201800E+03 0.50771E-02 -0.10144E-02 6117 0.194E-01 0.138E-01 RMM: 4 -0.321530979329E+03 0.22247E-03 -0.55532E-04 4700 0.507E-02 0.959E-02 RMM: 5 -0.321530925921E+03 0.53408E-04 -0.78703E-05 3515 0.239E-02 0.632E-02 RMM: 6 -0.321530905053E+03 0.20868E-04 -0.22899E-05 2569 0.146E-02 0.396E-02 RMM: 7 -0.321530905810E+03 -0.75769E-06 -0.29996E-05 2628 0.159E-02 6055 T= 5489. E= 0.67566296E+03 F= 0.63473808E+03 E0= 0.66274201E+03 EK= 0.44699E+02 SP= -.38E+01 SK= 0.54E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.321735093996E+03 -0.20419E+00 -0.13333E-01 8920 0.220E+01 0.158E-01 RMM: 2 -0.321748908329E+03 -0.13814E-01 -0.12203E-01 5146 0.754E-01 0.624E-01 RMM: 3 -0.321745251032E+03 0.36573E-02 -0.10824E-02 6188 0.194E-01 0.130E-01 RMM: 4 -0.321745014055E+03 0.23698E-03 -0.51464E-04 4517 0.523E-02 0.102E-01 RMM: 5 -0.321744944216E+03 0.69840E-04 -0.76812E-05 3457 0.242E-02 0.547E-02 RMM: 6 -0.321744931175E+03 0.13041E-04 -0.20738E-05 2547 0.139E-02 6056 T= 5518. E= 0.67566604E+03 F= 0.63452406E+03 E0= 0.66247496E+03 EK= 0.44933E+02 SP= -.38E+01 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322406986999E+03 -0.66204E+00 -0.12547E-01 8888 0.222E+01 0.190E-01 RMM: 2 -0.322423689833E+03 -0.16703E-01 -0.11300E-01 5332 0.715E-01 0.979E-01 RMM: 3 -0.322416193121E+03 0.74967E-02 -0.96620E-03 5724 0.198E-01 0.177E-01 RMM: 4 -0.322415907420E+03 0.28570E-03 -0.68220E-04 4831 0.537E-02 0.765E-02 RMM: 5 -0.322415869691E+03 0.37729E-04 -0.75508E-05 3633 0.219E-02 0.618E-02 RMM: 6 -0.322415858369E+03 0.11322E-04 -0.19554E-05 2541 0.132E-02 6057 T= 5606. E= 0.67566559E+03 F= 0.63385313E+03 E0= 0.66175995E+03 EK= 0.45653E+02 SP= -.39E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323542774628E+03 -0.11269E+01 -0.12243E-01 8736 0.225E+01 0.262E-01 RMM: 2 -0.323567194137E+03 -0.24420E-01 -0.11170E-01 5213 0.741E-01 0.144E+00 RMM: 3 -0.323551705038E+03 0.15489E-01 -0.12154E-02 5433 0.245E-01 0.268E-01 RMM: 4 -0.323551156337E+03 0.54870E-03 -0.12912E-03 4746 0.743E-02 0.795E-02 RMM: 5 -0.323551129603E+03 0.26734E-04 -0.15127E-04 4220 0.272E-02 0.762E-02 RMM: 6 -0.323551100855E+03 0.28748E-04 -0.22477E-05 2584 0.147E-02 0.488E-02 RMM: 7 -0.323551110739E+03 -0.98844E-05 -0.21757E-05 2543 0.144E-02 6058 T= 5755. E= 0.67566107E+03 F= 0.63271788E+03 E0= 0.66059262E+03 EK= 0.46864E+02 SP= -.39E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325098463730E+03 -0.15474E+01 -0.12537E-01 8688 0.229E+01 0.282E-01 RMM: 2 -0.325122398532E+03 -0.23935E-01 -0.11245E-01 5140 0.757E-01 0.144E+00 RMM: 3 -0.325107366617E+03 0.15032E-01 -0.12708E-02 5463 0.247E-01 0.266E-01 RMM: 4 -0.325106875590E+03 0.49103E-03 -0.14493E-03 4701 0.809E-02 0.113E-01 RMM: 5 -0.325106844225E+03 0.31365E-04 -0.19882E-04 3903 0.338E-02 0.102E-01 RMM: 6 -0.325106776511E+03 0.67714E-04 -0.46650E-05 3150 0.204E-02 0.341E-02 RMM: 7 -0.325106779696E+03 -0.31851E-05 -0.17191E-05 2515 0.127E-02 6059 T= 5958. E= 0.67565361E+03 F= 0.63116221E+03 E0= 0.65901814E+03 EK= 0.48521E+02 SP= -.41E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326986715120E+03 -0.18799E+01 -0.12563E-01 8408 0.234E+01 0.201E-01 RMM: 2 -0.327003541780E+03 -0.16827E-01 -0.11387E-01 5136 0.751E-01 0.100E+00 RMM: 3 -0.326996114910E+03 0.74269E-02 -0.11151E-02 5724 0.212E-01 0.170E-01 RMM: 4 -0.326995839221E+03 0.27569E-03 -0.76705E-04 4859 0.576E-02 0.101E-01 RMM: 5 -0.326995766959E+03 0.72262E-04 -0.10207E-04 3712 0.262E-02 0.661E-02 RMM: 6 -0.326995746953E+03 0.20005E-04 -0.23211E-05 2562 0.144E-02 0.485E-02 RMM: 7 -0.326995735592E+03 0.11361E-04 -0.27072E-05 2598 0.152E-02 6060 T= 6205. E= 0.67564386E+03 F= 0.62927325E+03 E0= 0.65712448E+03 EK= 0.50532E+02 SP= -.42E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329092873591E+03 -0.20971E+01 -0.12192E-01 8104 0.239E+01 0.189E-01 RMM: 2 -0.329107528831E+03 -0.14655E-01 -0.10625E-01 5039 0.735E-01 0.882E-01 RMM: 3 -0.329101858940E+03 0.56699E-02 -0.11182E-02 5892 0.201E-01 0.148E-01 RMM: 4 -0.329101599558E+03 0.25938E-03 -0.65098E-04 4716 0.558E-02 0.106E-01 RMM: 5 -0.329101522126E+03 0.77432E-04 -0.95879E-05 3674 0.268E-02 0.573E-02 RMM: 6 -0.329101508731E+03 0.13395E-04 -0.22483E-05 2553 0.139E-02 6061 T= 6481. E= 0.67563327E+03 F= 0.62716748E+03 E0= 0.65502607E+03 EK= 0.52776E+02 SP= -.44E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331284684049E+03 -0.21832E+01 -0.13347E-01 7808 0.245E+01 0.200E-01 RMM: 2 -0.331303602790E+03 -0.18919E-01 -0.13538E-01 4887 0.847E-01 0.995E-01 RMM: 3 -0.331296418214E+03 0.71846E-02 -0.15088E-02 5764 0.237E-01 0.167E-01 RMM: 4 -0.331296076911E+03 0.34130E-03 -0.86207E-04 5005 0.616E-02 0.106E-01 RMM: 5 -0.331295992879E+03 0.84032E-04 -0.11493E-04 3811 0.296E-02 0.642E-02 RMM: 6 -0.331295978078E+03 0.14801E-04 -0.26393E-05 2560 0.149E-02 6062 T= 6768. E= 0.67562324E+03 F= 0.62497301E+03 E0= 0.65285001E+03 EK= 0.55116E+02 SP= -.45E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333445758538E+03 -0.21498E+01 -0.12401E-01 7832 0.250E+01 0.311E-01 RMM: 2 -0.333474497159E+03 -0.28739E-01 -0.11211E-01 5064 0.804E-01 0.170E+00 RMM: 3 -0.333454407211E+03 0.20090E-01 -0.14836E-02 5395 0.284E-01 0.270E-01 RMM: 4 -0.333453876401E+03 0.53081E-03 -0.16018E-03 4732 0.811E-02 0.959E-02 RMM: 5 -0.333453826459E+03 0.49942E-04 -0.18272E-04 3979 0.331E-02 0.817E-02 RMM: 6 -0.333453789156E+03 0.37302E-04 -0.32567E-05 2648 0.171E-02 0.527E-02 RMM: 7 -0.333453792614E+03 -0.34575E-05 -0.33161E-05 2687 0.180E-02 6063 T= 7051. E= 0.67561410E+03 F= 0.62281520E+03 E0= 0.65071794E+03 EK= 0.57416E+02 SP= -.47E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335456053553E+03 -0.20023E+01 -0.12937E-01 7744 0.254E+01 0.227E-01 RMM: 2 -0.335472811848E+03 -0.16758E-01 -0.11225E-01 5012 0.783E-01 0.101E+00 RMM: 3 -0.335465425164E+03 0.73867E-02 -0.12497E-02 5521 0.232E-01 0.226E-01 RMM: 4 -0.335465068018E+03 0.35715E-03 -0.11242E-03 4689 0.735E-02 0.127E-01 RMM: 5 -0.335464980643E+03 0.87374E-04 -0.18761E-04 3888 0.351E-02 0.867E-02 RMM: 6 -0.335464933309E+03 0.47334E-04 -0.36493E-05 2902 0.184E-02 0.389E-02 RMM: 7 -0.335464934404E+03 -0.10948E-05 -0.23689E-05 2524 0.151E-02 6064 T= 7313. E= 0.67560617E+03 F= 0.62080405E+03 E0= 0.64873617E+03 EK= 0.59553E+02 SP= -.48E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337228306839E+03 -0.17634E+01 -0.13381E-01 7744 0.258E+01 0.184E-01 RMM: 2 -0.337244091137E+03 -0.15784E-01 -0.11992E-01 4912 0.799E-01 0.894E-01 RMM: 3 -0.337238571485E+03 0.55197E-02 -0.13152E-02 5872 0.219E-01 0.147E-01 RMM: 4 -0.337238298962E+03 0.27252E-03 -0.67228E-04 4796 0.580E-02 0.116E-01 RMM: 5 -0.337238199171E+03 0.99791E-04 -0.10820E-04 3742 0.293E-02 0.589E-02 RMM: 6 -0.337238187476E+03 0.11695E-04 -0.27188E-05 2562 0.150E-02 6065 T= 7543. E= 0.67560046E+03 F= 0.61903080E+03 E0= 0.64699224E+03 EK= 0.61424E+02 SP= -.49E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338696299479E+03 -0.14581E+01 -0.13896E-01 8080 0.261E+01 0.185E-01 RMM: 2 -0.338712244787E+03 -0.15945E-01 -0.11907E-01 4889 0.799E-01 0.887E-01 RMM: 3 -0.338706545224E+03 0.56996E-02 -0.13223E-02 5756 0.226E-01 0.163E-01 RMM: 4 -0.338706237470E+03 0.30775E-03 -0.72325E-04 4869 0.583E-02 0.900E-02 RMM: 5 -0.338706185162E+03 0.52309E-04 -0.95052E-05 3778 0.267E-02 0.697E-02 RMM: 6 -0.338706166427E+03 0.18734E-04 -0.24995E-05 2552 0.150E-02 6066 T= 7730. E= 0.67559639E+03 F= 0.61756282E+03 E0= 0.64555246E+03 EK= 0.62947E+02 SP= -.49E+01 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.339815408548E+03 -0.11092E+01 -0.13962E-01 7592 0.263E+01 0.321E-01 RMM: 2 -0.339848640068E+03 -0.33232E-01 -0.13999E-01 4794 0.899E-01 0.178E+00 RMM: 3 -0.339826625259E+03 0.22015E-01 -0.18979E-02 5409 0.316E-01 0.278E-01 RMM: 4 -0.339826059149E+03 0.56611E-03 -0.18688E-03 4945 0.859E-02 0.102E-01 RMM: 5 -0.339826017201E+03 0.41949E-04 -0.20548E-04 3952 0.357E-02 0.981E-02 RMM: 6 -0.339825960128E+03 0.57073E-04 -0.40469E-05 2927 0.187E-02 0.544E-02 RMM: 7 -0.339825961480E+03 -0.13521E-05 -0.30040E-05 2602 0.173E-02 6067 T= 7867. E= 0.67559361E+03 F= 0.61644303E+03 E0= 0.64445803E+03 EK= 0.64068E+02 SP= -.49E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340562196785E+03 -0.73624E+00 -0.14748E-01 7760 0.264E+01 0.280E-01 RMM: 2 -0.340593140161E+03 -0.30943E-01 -0.16036E-01 4730 0.936E-01 0.154E+00 RMM: 3 -0.340575937930E+03 0.17202E-01 -0.19996E-02 5436 0.309E-01 0.282E-01 RMM: 4 -0.340575384612E+03 0.55332E-03 -0.18598E-03 5097 0.884E-02 0.113E-01 RMM: 5 -0.340575370627E+03 0.13985E-04 -0.23771E-04 3959 0.360E-02 0.118E-01 RMM: 6 -0.340575276046E+03 0.94580E-04 -0.60291E-05 3342 0.222E-02 0.407E-02 RMM: 7 -0.340575280957E+03 -0.49106E-05 -0.23300E-05 2569 0.145E-02 6068 T= 7952. E= 0.67559253E+03 F= 0.61569371E+03 E0= 0.64373166E+03 EK= 0.64757E+02 SP= -.49E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340937014662E+03 -0.36174E+00 -0.15427E-01 7928 0.264E+01 0.213E-01 RMM: 2 -0.340960072342E+03 -0.23058E-01 -0.16915E-01 4751 0.940E-01 0.108E+00 RMM: 3 -0.340951769625E+03 0.83027E-02 -0.19313E-02 5838 0.267E-01 0.186E-01 RMM: 4 -0.340951313450E+03 0.45617E-03 -0.10238E-03 4975 0.690E-02 0.103E-01 RMM: 5 -0.340951248482E+03 0.64968E-04 -0.14296E-04 3931 0.324E-02 0.727E-02 RMM: 6 -0.340951221365E+03 0.27117E-04 -0.32234E-05 2718 0.164E-02 0.494E-02 RMM: 7 -0.340951223330E+03 -0.19652E-05 -0.28467E-05 2604 0.162E-02 6069 T= 7983. E= 0.67559316E+03 F= 0.61531777E+03 E0= 0.64337712E+03 EK= 0.65005E+02 SP= -.48E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340953461165E+03 -0.22398E-02 -0.17070E-01 7800 0.264E+01 0.171E-01 RMM: 2 -0.340975371461E+03 -0.21910E-01 -0.20299E-01 4739 0.102E+00 0.658E-01 RMM: 3 -0.340971578773E+03 0.37927E-02 -0.22384E-02 6225 0.264E-01 0.141E-01 RMM: 4 -0.340971091132E+03 0.48764E-03 -0.82912E-04 4927 0.694E-02 0.112E-01 RMM: 5 -0.340971001345E+03 0.89787E-04 -0.11355E-04 3791 0.309E-02 0.578E-02 RMM: 6 -0.340970989189E+03 0.12157E-04 -0.25906E-05 2555 0.150E-02 6070 T= 7961. E= 0.67559491E+03 F= 0.61529800E+03 E0= 0.64337893E+03 EK= 0.64829E+02 SP= -.46E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340653815115E+03 0.31719E+00 -0.15998E-01 7784 0.263E+01 0.201E-01 RMM: 2 -0.340676539625E+03 -0.22725E-01 -0.18190E-01 4821 0.967E-01 0.925E-01 RMM: 3 -0.340669891684E+03 0.66479E-02 -0.20151E-02 5939 0.267E-01 0.204E-01 RMM: 4 -0.340669328308E+03 0.56338E-03 -0.91857E-04 4946 0.679E-02 0.865E-02 RMM: 5 -0.340669276889E+03 0.51419E-04 -0.12204E-04 4224 0.286E-02 0.755E-02 RMM: 6 -0.340669254155E+03 0.22734E-04 -0.25595E-05 2561 0.151E-02 0.620E-02 RMM: 7 -0.340669257687E+03 -0.35320E-05 -0.64022E-05 3434 0.213E-02 6071 T= 7892. E= 0.67559768E+03 F= 0.61559973E+03 E0= 0.64370418E+03 EK= 0.64266E+02 SP= -.44E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340086864071E+03 0.58239E+00 -0.15758E-01 7840 0.261E+01 0.276E-01 RMM: 2 -0.340112136934E+03 -0.25273E-01 -0.15529E-01 4914 0.909E-01 0.132E+00 RMM: 3 -0.340099733233E+03 0.12404E-01 -0.17311E-02 5718 0.271E-01 0.257E-01 RMM: 4 -0.340099179612E+03 0.55362E-03 -0.14283E-03 4843 0.852E-02 0.133E-01 RMM: 5 -0.340099148759E+03 0.30853E-04 -0.20608E-04 3898 0.349E-02 0.122E-01 RMM: 6 -0.340099047484E+03 0.10128E-03 -0.55087E-05 3258 0.219E-02 0.350E-02 RMM: 7 -0.340099051998E+03 -0.45137E-05 -0.22877E-05 2532 0.149E-02 6072 T= 7782. E= 0.67560264E+03 F= 0.61616994E+03 E0= 0.64430053E+03 EK= 0.63375E+02 SP= -.41E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339319383676E+03 0.77966E+00 -0.16465E-01 7888 0.259E+01 0.216E-01 RMM: 2 -0.339342350429E+03 -0.22967E-01 -0.17475E-01 5000 0.940E-01 0.102E+00 RMM: 3 -0.339334434848E+03 0.79156E-02 -0.18266E-02 5963 0.258E-01 0.185E-01 RMM: 4 -0.339333986405E+03 0.44844E-03 -0.93099E-04 4821 0.682E-02 0.110E-01 RMM: 5 -0.339333899034E+03 0.87371E-04 -0.13552E-04 3939 0.301E-02 0.753E-02 RMM: 6 -0.339333871659E+03 0.27375E-04 -0.32294E-05 2784 0.167E-02 0.554E-02 RMM: 7 -0.339333873521E+03 -0.18617E-05 -0.42720E-05 2779 0.180E-02 6073 T= 7643. E= 0.67560842E+03 F= 0.61693512E+03 E0= 0.64509533E+03 EK= 0.62237E+02 SP= -.38E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338442234200E+03 0.89164E+00 -0.16124E-01 7968 0.256E+01 0.210E-01 RMM: 2 -0.338463342623E+03 -0.21108E-01 -0.16687E-01 4883 0.930E-01 0.935E-01 RMM: 3 -0.338456751584E+03 0.65910E-02 -0.17911E-02 5978 0.255E-01 0.191E-01 RMM: 4 -0.338456287844E+03 0.46374E-03 -0.89697E-04 4772 0.693E-02 0.112E-01 RMM: 5 -0.338456218635E+03 0.69208E-04 -0.13031E-04 3820 0.308E-02 0.763E-02 RMM: 6 -0.338456187882E+03 0.30753E-04 -0.31203E-05 2746 0.169E-02 0.459E-02 RMM: 7 -0.338456192870E+03 -0.49881E-05 -0.29646E-05 2602 0.167E-02 6074 T= 7484. E= 0.67561417E+03 F= 0.61781280E+03 E0= 0.64600535E+03 EK= 0.60943E+02 SP= -.34E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337532473539E+03 0.92371E+00 -0.16027E-01 7936 0.253E+01 0.192E-01 RMM: 2 -0.337552099108E+03 -0.19626E-01 -0.17070E-01 4912 0.940E-01 0.774E-01 RMM: 3 -0.337547369803E+03 0.47293E-02 -0.18231E-02 6131 0.252E-01 0.158E-01 RMM: 4 -0.337546986739E+03 0.38306E-03 -0.80567E-04 4737 0.674E-02 0.138E-01 RMM: 5 -0.337546862903E+03 0.12384E-03 -0.13704E-04 3875 0.336E-02 0.696E-02 RMM: 6 -0.337546837245E+03 0.25658E-04 -0.34040E-05 2876 0.171E-02 0.505E-02 RMM: 7 -0.337546826440E+03 0.10805E-04 -0.65536E-05 3518 0.225E-02 6075 T= 7317. E= 0.67561924E+03 F= 0.61872216E+03 E0= 0.64694904E+03 EK= 0.59583E+02 SP= -.30E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336657295277E+03 0.88954E+00 -0.17102E-01 8040 0.250E+01 0.189E-01 RMM: 2 -0.336678929698E+03 -0.21634E-01 -0.18678E-01 4793 0.100E+00 0.798E-01 RMM: 3 -0.336673909489E+03 0.50202E-02 -0.20631E-02 6131 0.265E-01 0.152E-01 RMM: 4 -0.336673459336E+03 0.45015E-03 -0.85054E-04 4780 0.710E-02 0.124E-01 RMM: 5 -0.336673364689E+03 0.94646E-04 -0.13049E-04 3805 0.329E-02 0.686E-02 RMM: 6 -0.336673343173E+03 0.21517E-04 -0.31148E-05 2687 0.166E-02 0.477E-02 RMM: 7 -0.336673347237E+03 -0.40640E-05 -0.28962E-05 2577 0.166E-02 6076 T= 7151. E= 0.67562203E+03 F= 0.61959564E+03 E0= 0.64785785E+03 EK= 0.58231E+02 SP= -.26E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335861827426E+03 0.81152E+00 -0.15700E-01 8088 0.248E+01 0.176E-01 RMM: 2 -0.335880422010E+03 -0.18595E-01 -0.16204E-01 4991 0.899E-01 0.730E-01 RMM: 3 -0.335875795800E+03 0.46262E-02 -0.15765E-02 6145 0.240E-01 0.149E-01 RMM: 4 -0.335875485755E+03 0.31004E-03 -0.69913E-04 4693 0.632E-02 0.123E-01 RMM: 5 -0.335875383290E+03 0.10247E-03 -0.11229E-04 3703 0.315E-02 0.559E-02 RMM: 6 -0.335875371852E+03 0.11437E-04 -0.27396E-05 2587 0.152E-02 6077 T= 6992. E= 0.67562383E+03 F= 0.62039362E+03 E0= 0.64869015E+03 EK= 0.56938E+02 SP= -.21E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335150024878E+03 0.72536E+00 -0.15577E-01 8008 0.246E+01 0.233E-01 RMM: 2 -0.335177257381E+03 -0.27233E-01 -0.17002E-01 4945 0.920E-01 0.130E+00 RMM: 3 -0.335164501955E+03 0.12755E-01 -0.17640E-02 5612 0.275E-01 0.228E-01 RMM: 4 -0.335164015175E+03 0.48678E-03 -0.11935E-03 4861 0.736E-02 0.924E-02 RMM: 5 -0.335163971755E+03 0.43420E-04 -0.15096E-04 4293 0.303E-02 0.806E-02 RMM: 6 -0.335163940888E+03 0.30866E-04 -0.28575E-05 2602 0.159E-02 0.581E-02 RMM: 7 -0.335163953494E+03 -0.12606E-04 -0.40934E-05 3001 0.190E-02 6078 T= 6842. E= 0.67562354E+03 F= 0.62110504E+03 E0= 0.64943409E+03 EK= 0.55721E+02 SP= -.17E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334514617129E+03 0.64932E+00 -0.14771E-01 8240 0.244E+01 0.227E-01 RMM: 2 -0.334535499907E+03 -0.20883E-01 -0.14648E-01 5005 0.846E-01 0.105E+00 RMM: 3 -0.334526744286E+03 0.87556E-02 -0.14138E-02 5625 0.251E-01 0.221E-01 RMM: 4 -0.334526416136E+03 0.32815E-03 -0.11686E-03 4785 0.771E-02 0.132E-01 RMM: 5 -0.334526333698E+03 0.82438E-04 -0.17368E-04 3892 0.339E-02 0.907E-02 RMM: 6 -0.334526282005E+03 0.51693E-04 -0.37788E-05 2990 0.188E-02 0.339E-02 RMM: 7 -0.334526285641E+03 -0.36358E-05 -0.17926E-05 2509 0.134E-02 6079 T= 6701. E= 0.67562247E+03 F= 0.62174270E+03 E0= 0.65010068E+03 EK= 0.54573E+02 SP= -.12E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333925945971E+03 0.60034E+00 -0.15112E-01 8352 0.242E+01 0.217E-01 RMM: 2 -0.333948776029E+03 -0.22830E-01 -0.15991E-01 4970 0.890E-01 0.110E+00 RMM: 3 -0.333939553818E+03 0.92222E-02 -0.15724E-02 5866 0.253E-01 0.180E-01 RMM: 4 -0.333939196678E+03 0.35714E-03 -0.89626E-04 4834 0.660E-02 0.108E-01 RMM: 5 -0.333939130260E+03 0.66418E-04 -0.12489E-04 3906 0.297E-02 0.780E-02 RMM: 6 -0.333939099825E+03 0.30436E-04 -0.30619E-05 2666 0.166E-02 0.525E-02 RMM: 7 -0.333939104214E+03 -0.43893E-05 -0.32162E-05 2668 0.166E-02 6080 T= 6567. E= 0.67562161E+03 F= 0.62232989E+03 E0= 0.65071318E+03 EK= 0.53478E+02 SP= -.68E+00 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333365757965E+03 0.57334E+00 -0.14420E-01 8248 0.240E+01 0.181E-01 RMM: 2 -0.333383374618E+03 -0.17617E-01 -0.14869E-01 5120 0.836E-01 0.748E-01 RMM: 3 -0.333378324082E+03 0.50505E-02 -0.13126E-02 5883 0.228E-01 0.148E-01 RMM: 4 -0.333378105655E+03 0.21843E-03 -0.70687E-04 4766 0.591E-02 0.113E-01 RMM: 5 -0.333378025901E+03 0.79755E-04 -0.99751E-05 3667 0.276E-02 0.662E-02 RMM: 6 -0.333378005140E+03 0.20761E-04 -0.26342E-05 2590 0.157E-02 0.429E-02 RMM: 7 -0.333378010928E+03 -0.57883E-05 -0.22305E-05 2538 0.145E-02 6081 T= 6437. E= 0.67562056E+03 F= 0.62289098E+03 E0= 0.65129474E+03 EK= 0.52417E+02 SP= -.19E+00 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332811519267E+03 0.56649E+00 -0.13764E-01 8288 0.238E+01 0.191E-01 RMM: 2 -0.332829726715E+03 -0.18207E-01 -0.15034E-01 5119 0.828E-01 0.807E-01 RMM: 3 -0.332823940511E+03 0.57862E-02 -0.13114E-02 6095 0.222E-01 0.151E-01 RMM: 4 -0.332823694061E+03 0.24645E-03 -0.69311E-04 4707 0.609E-02 0.129E-01 RMM: 5 -0.332823587375E+03 0.10669E-03 -0.11096E-04 3690 0.286E-02 0.727E-02 RMM: 6 -0.332823560311E+03 0.27063E-04 -0.28605E-05 2684 0.164E-02 0.428E-02 RMM: 7 -0.332823562050E+03 -0.17389E-05 -0.23990E-05 2545 0.144E-02 6082 T= 6309. E= 0.67561979E+03 F= 0.62344543E+03 E0= 0.65186535E+03 EK= 0.51375E+02 SP= 0.31E+00 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332252045762E+03 0.57151E+00 -0.13693E-01 8360 0.237E+01 0.187E-01 RMM: 2 -0.332269864458E+03 -0.17819E-01 -0.14767E-01 5095 0.826E-01 0.790E-01 RMM: 3 -0.332264413546E+03 0.54509E-02 -0.13338E-02 6040 0.225E-01 0.158E-01 RMM: 4 -0.332264129705E+03 0.28384E-03 -0.67715E-04 4790 0.574E-02 0.103E-01 RMM: 5 -0.332264065581E+03 0.64124E-04 -0.95781E-05 3646 0.270E-02 0.710E-02 RMM: 6 -0.332264039986E+03 0.25595E-04 -0.28262E-05 2654 0.161E-02 0.460E-02 RMM: 7 -0.332264045206E+03 -0.52202E-05 -0.30408E-05 2612 0.162E-02 6083 T= 6182. E= 0.67561956E+03 F= 0.62400494E+03 E0= 0.65243715E+03 EK= 0.50345E+02 SP= 0.80E+00 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331687790289E+03 0.57625E+00 -0.13427E-01 8272 0.235E+01 0.200E-01 RMM: 2 -0.331705823097E+03 -0.18033E-01 -0.14584E-01 5116 0.825E-01 0.839E-01 RMM: 3 -0.331699863758E+03 0.59593E-02 -0.13275E-02 6096 0.222E-01 0.166E-01 RMM: 4 -0.331699557808E+03 0.30595E-03 -0.71899E-04 4757 0.608E-02 0.116E-01 RMM: 5 -0.331699474630E+03 0.83178E-04 -0.10827E-04 3684 0.273E-02 0.742E-02 RMM: 6 -0.331699444739E+03 0.29891E-04 -0.28098E-05 2684 0.163E-02 0.414E-02 RMM: 7 -0.331699446383E+03 -0.16442E-05 -0.21675E-05 2531 0.139E-02 6084 T= 6058. E= 0.67562027E+03 F= 0.62456954E+03 E0= 0.65301111E+03 EK= 0.49331E+02 SP= 0.13E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331134786666E+03 0.56466E+00 -0.12845E-01 8520 0.233E+01 0.188E-01 RMM: 2 -0.331151400658E+03 -0.16614E-01 -0.13705E-01 5318 0.779E-01 0.791E-01 RMM: 3 -0.331145877517E+03 0.55231E-02 -0.10923E-02 6098 0.204E-01 0.170E-01 RMM: 4 -0.331145597931E+03 0.27959E-03 -0.61673E-04 4792 0.543E-02 0.103E-01 RMM: 5 -0.331145528877E+03 0.69054E-04 -0.89529E-05 3614 0.249E-02 0.731E-02 RMM: 6 -0.331145501018E+03 0.27860E-04 -0.26422E-05 2650 0.157E-02 0.496E-02 RMM: 7 -0.331145495629E+03 0.53890E-05 -0.48539E-05 3009 0.192E-02 6085 T= 5938. E= 0.67562199E+03 F= 0.62512349E+03 E0= 0.65357235E+03 EK= 0.48354E+02 SP= 0.17E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330625643612E+03 0.51986E+00 -0.12916E-01 8304 0.231E+01 0.206E-01 RMM: 2 -0.330643530611E+03 -0.17887E-01 -0.14062E-01 5193 0.808E-01 0.881E-01 RMM: 3 -0.330637278832E+03 0.62518E-02 -0.12861E-02 6026 0.216E-01 0.196E-01 RMM: 4 -0.330636894936E+03 0.38390E-03 -0.78007E-04 4738 0.631E-02 0.111E-01 RMM: 5 -0.330636814689E+03 0.80247E-04 -0.11598E-04 3733 0.269E-02 0.769E-02 RMM: 6 -0.330636782786E+03 0.31903E-04 -0.28401E-05 2777 0.165E-02 0.449E-02 RMM: 7 -0.330636780727E+03 0.20590E-05 -0.28497E-05 2600 0.155E-02 6086 T= 5827. E= 0.67562471E+03 F= 0.62563221E+03 E0= 0.65408743E+03 EK= 0.47451E+02 SP= 0.22E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330211327036E+03 0.42546E+00 -0.12384E-01 8632 0.229E+01 0.190E-01 RMM: 2 -0.330227819116E+03 -0.16492E-01 -0.13447E-01 5331 0.772E-01 0.807E-01 RMM: 3 -0.330222342677E+03 0.54764E-02 -0.11036E-02 6113 0.199E-01 0.184E-01 RMM: 4 -0.330222005853E+03 0.33682E-03 -0.63029E-04 4746 0.558E-02 0.100E-01 RMM: 5 -0.330221935163E+03 0.70689E-04 -0.92179E-05 3633 0.244E-02 0.725E-02 RMM: 6 -0.330221910326E+03 0.24838E-04 -0.24154E-05 2596 0.151E-02 0.522E-02 RMM: 7 -0.330221906860E+03 0.34654E-05 -0.40471E-05 2741 0.176E-02 6087 T= 5731. E= 0.67562815E+03 F= 0.62604708E+03 E0= 0.65450834E+03 EK= 0.46673E+02 SP= 0.26E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329943281997E+03 0.27863E+00 -0.12373E-01 8504 0.227E+01 0.200E-01 RMM: 2 -0.329959840398E+03 -0.16558E-01 -0.13431E-01 5142 0.800E-01 0.815E-01 RMM: 3 -0.329954516113E+03 0.53243E-02 -0.12566E-02 6016 0.213E-01 0.167E-01 RMM: 4 -0.329954213332E+03 0.30278E-03 -0.73463E-04 4759 0.605E-02 0.113E-01 RMM: 5 -0.329954130993E+03 0.82339E-04 -0.10937E-04 3740 0.262E-02 0.723E-02 RMM: 6 -0.329954103417E+03 0.27577E-04 -0.25219E-05 2621 0.155E-02 0.436E-02 RMM: 7 -0.329954104194E+03 -0.77708E-06 -0.22515E-05 2554 0.141E-02 6088 T= 5658. E= 0.67563122E+03 F= 0.62631489E+03 E0= 0.65478327E+03 EK= 0.46072E+02 SP= 0.30E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329869984762E+03 0.84119E-01 -0.11677E-01 8744 0.225E+01 0.192E-01 RMM: 2 -0.329884450792E+03 -0.14466E-01 -0.11211E-01 5372 0.717E-01 0.828E-01 RMM: 3 -0.329879108654E+03 0.53421E-02 -0.89246E-03 5984 0.187E-01 0.171E-01 RMM: 4 -0.329878856511E+03 0.25214E-03 -0.61577E-04 4721 0.544E-02 0.108E-01 RMM: 5 -0.329878786319E+03 0.70192E-04 -0.93161E-05 3660 0.249E-02 0.724E-02 RMM: 6 -0.329878757011E+03 0.29308E-04 -0.24381E-05 2631 0.153E-02 0.448E-02 RMM: 7 -0.329878758048E+03 -0.10370E-05 -0.27881E-05 2610 0.149E-02 6089 T= 5611. E= 0.67563270E+03 F= 0.62639023E+03 E0= 0.65486674E+03 EK= 0.45693E+02 SP= 0.33E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330009115159E+03 -0.13036E+00 -0.11173E-01 8848 0.224E+01 0.192E-01 RMM: 2 -0.330022329013E+03 -0.13214E-01 -0.99910E-02 5410 0.677E-01 0.816E-01 RMM: 3 -0.330017026326E+03 0.53027E-02 -0.77822E-03 5929 0.179E-01 0.157E-01 RMM: 4 -0.330016838577E+03 0.18775E-03 -0.59677E-04 4656 0.527E-02 0.103E-01 RMM: 5 -0.330016778178E+03 0.60399E-04 -0.87244E-05 3594 0.239E-02 0.711E-02 RMM: 6 -0.330016748017E+03 0.30162E-04 -0.24026E-05 2623 0.154E-02 0.352E-02 RMM: 7 -0.330016750897E+03 -0.28805E-05 -0.18059E-05 2512 0.125E-02 6090 T= 5594. E= 0.67563124E+03 F= 0.62625224E+03 E0= 0.65473884E+03 EK= 0.45556E+02 SP= 0.36E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330345107862E+03 -0.32836E+00 -0.11108E-01 8888 0.224E+01 0.181E-01 RMM: 2 -0.330357950980E+03 -0.12843E-01 -0.96463E-02 5513 0.647E-01 0.809E-01 RMM: 3 -0.330352596176E+03 0.53548E-02 -0.66644E-03 5935 0.167E-01 0.159E-01 RMM: 4 -0.330352414921E+03 0.18126E-03 -0.55830E-04 4585 0.509E-02 0.104E-01 RMM: 5 -0.330352347700E+03 0.67221E-04 -0.84594E-05 3592 0.241E-02 0.678E-02 RMM: 6 -0.330352320026E+03 0.27675E-04 -0.23088E-05 2612 0.150E-02 0.383E-02 RMM: 7 -0.330352321609E+03 -0.15837E-05 -0.21032E-05 2535 0.130E-02 6091 T= 5605. E= 0.67562711E+03 F= 0.62591667E+03 E0= 0.65441468E+03 EK= 0.45644E+02 SP= 0.39E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330828240375E+03 -0.47592E+00 -0.11624E-01 8904 0.225E+01 0.173E-01 RMM: 2 -0.330841019078E+03 -0.12779E-01 -0.10356E-01 5493 0.666E-01 0.736E-01 RMM: 3 -0.330836377505E+03 0.46416E-02 -0.72317E-03 6022 0.171E-01 0.143E-01 RMM: 4 -0.330836221386E+03 0.15612E-03 -0.51118E-04 4437 0.484E-02 0.104E-01 RMM: 5 -0.330836148810E+03 0.72576E-04 -0.71421E-05 3480 0.228E-02 0.647E-02 RMM: 6 -0.330836127877E+03 0.20933E-04 -0.21450E-05 2559 0.143E-02 0.424E-02 RMM: 7 -0.330836126706E+03 0.11713E-05 -0.28766E-05 2638 0.150E-02 6092 T= 5637. E= 0.67562187E+03 F= 0.62543286E+03 E0= 0.65394395E+03 EK= 0.45908E+02 SP= 0.42E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331398400368E+03 -0.56227E+00 -0.12141E-01 8976 0.226E+01 0.174E-01 RMM: 2 -0.331412250680E+03 -0.13850E-01 -0.11026E-01 5643 0.669E-01 0.776E-01 RMM: 3 -0.331407063499E+03 0.51872E-02 -0.66420E-03 5976 0.165E-01 0.156E-01 RMM: 4 -0.331406901512E+03 0.16199E-03 -0.55925E-04 4518 0.509E-02 0.115E-01 RMM: 5 -0.331406809048E+03 0.92464E-04 -0.81597E-05 3551 0.236E-02 0.668E-02 RMM: 6 -0.331406788556E+03 0.20491E-04 -0.20973E-05 2579 0.142E-02 0.499E-02 RMM: 7 -0.331406786256E+03 0.23000E-05 -0.29902E-05 2658 0.147E-02 6093 T= 5684. E= 0.67561727E+03 F= 0.62486220E+03 E0= 0.65338667E+03 EK= 0.46287E+02 SP= 0.44E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332006664650E+03 -0.59988E+00 -0.13000E-01 9000 0.227E+01 0.171E-01 RMM: 2 -0.332021455685E+03 -0.14791E-01 -0.12561E-01 5586 0.706E-01 0.713E-01 RMM: 3 -0.332016669387E+03 0.47863E-02 -0.82204E-03 5951 0.179E-01 0.137E-01 RMM: 4 -0.332016535328E+03 0.13406E-03 -0.55638E-04 4524 0.484E-02 0.118E-01 RMM: 5 -0.332016435831E+03 0.99497E-04 -0.69001E-05 3459 0.224E-02 0.696E-02 RMM: 6 -0.332016419005E+03 0.16826E-04 -0.21461E-05 2561 0.140E-02 6094 T= 5739. E= 0.67561562E+03 F= 0.62425257E+03 E0= 0.65279032E+03 EK= 0.46733E+02 SP= 0.46E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332644033447E+03 -0.62760E+00 -0.13803E-01 8840 0.228E+01 0.233E-01 RMM: 2 -0.332666394844E+03 -0.22361E-01 -0.13861E-01 5567 0.743E-01 0.121E+00 RMM: 3 -0.332654915210E+03 0.11480E-01 -0.10563E-02 5448 0.220E-01 0.228E-01 RMM: 4 -0.332654559976E+03 0.35523E-03 -0.10504E-03 5074 0.616E-02 0.104E-01 RMM: 5 -0.332654489793E+03 0.70184E-04 -0.83256E-05 3687 0.231E-02 0.855E-02 RMM: 6 -0.332654472382E+03 0.17410E-04 -0.21227E-05 2571 0.139E-02 6095 T= 5800. E= 0.67561712E+03 F= 0.62361452E+03 E0= 0.65216399E+03 EK= 0.47235E+02 SP= 0.47E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333344599329E+03 -0.69011E+00 -0.14317E-01 8784 0.228E+01 0.403E-01 RMM: 2 -0.333399035906E+03 -0.54437E-01 -0.15079E-01 5426 0.821E-01 0.247E+00 RMM: 3 -0.333355843403E+03 0.43193E-01 -0.20762E-02 5385 0.343E-01 0.412E-01 RMM: 4 -0.333354639980E+03 0.12034E-02 -0.24749E-03 4937 0.101E-01 0.120E-01 RMM: 5 -0.333354574047E+03 0.65933E-04 -0.27899E-04 4699 0.323E-02 0.113E-01 RMM: 6 -0.333354517349E+03 0.56699E-04 -0.30041E-05 2703 0.169E-02 0.869E-02 RMM: 7 -0.333354577555E+03 -0.60206E-04 -0.87921E-05 3692 0.241E-02 0.139E-01 RMM: 8 -0.333354452405E+03 0.12515E-03 -0.20828E-04 3906 0.306E-02 0.557E-02 RMM: 9 -0.333354436601E+03 0.15803E-04 -0.33438E-05 2707 0.155E-02 6096 T= 5873. E= 0.67562011E+03 F= 0.62291455E+03 E0= 0.65147376E+03 EK= 0.47823E+02 SP= 0.49E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334158139655E+03 -0.80369E+00 -0.14761E-01 8744 0.228E+01 0.423E-01 RMM: 2 -0.334205449840E+03 -0.47310E-01 -0.16436E-01 5340 0.838E-01 0.222E+00 RMM: 3 -0.334170329165E+03 0.35121E-01 -0.19762E-02 5391 0.326E-01 0.429E-01 RMM: 4 -0.334169206238E+03 0.11229E-02 -0.31497E-03 5232 0.124E-01 0.202E-01 RMM: 5 -0.334169244873E+03 -0.38635E-04 -0.46083E-04 3987 0.495E-02 0.226E-01 RMM: 6 -0.334168903121E+03 0.34175E-03 -0.15215E-04 3880 0.350E-02 0.501E-02 RMM: 7 -0.334168905804E+03 -0.26828E-05 -0.33729E-05 2910 0.166E-02 6097 T= 5961. E= 0.67562120E+03 F= 0.62210008E+03 E0= 0.65066505E+03 EK= 0.48544E+02 SP= 0.50E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335105864354E+03 -0.93696E+00 -0.16295E-01 8776 0.227E+01 0.217E-01 RMM: 2 -0.335131944316E+03 -0.26080E-01 -0.16548E-01 5586 0.792E-01 0.122E+00 RMM: 3 -0.335119166361E+03 0.12778E-01 -0.11654E-02 5425 0.234E-01 0.213E-01 RMM: 4 -0.335118854259E+03 0.31210E-03 -0.11404E-03 5169 0.632E-02 0.981E-02 RMM: 5 -0.335118787955E+03 0.66304E-04 -0.96363E-05 3779 0.258E-02 0.827E-02 RMM: 6 -0.335118759094E+03 0.28861E-04 -0.25416E-05 2586 0.151E-02 0.647E-02 RMM: 7 -0.335118778314E+03 -0.19220E-04 -0.83731E-05 3782 0.227E-02 6098 T= 6068. E= 0.67561656E+03 F= 0.62115021E+03 E0= 0.64971711E+03 EK= 0.49412E+02 SP= 0.50E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336131345961E+03 -0.10126E+01 -0.19431E-01 8864 0.228E+01 0.240E-01 RMM: 2 -0.336157776327E+03 -0.26430E-01 -0.19240E-01 5429 0.873E-01 0.112E+00 RMM: 3 -0.336147139096E+03 0.10637E-01 -0.13576E-02 5490 0.248E-01 0.198E-01 RMM: 4 -0.336146853010E+03 0.28609E-03 -0.12274E-03 4866 0.722E-02 0.121E-01 RMM: 5 -0.336146770538E+03 0.82472E-04 -0.15790E-04 3989 0.305E-02 0.910E-02 RMM: 6 -0.336146723245E+03 0.47293E-04 -0.34983E-05 2928 0.178E-02 0.470E-02 RMM: 7 -0.336146726496E+03 -0.32508E-05 -0.20259E-05 2547 0.139E-02 6099 T= 6185. E= 0.67560665E+03 F= 0.62012226E+03 E0= 0.64868815E+03 EK= 0.50367E+02 SP= 0.51E+01 SK= 0.75E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337096325782E+03 -0.94960E+00 -0.23264E-01 8928 0.230E+01 0.200E-01 RMM: 2 -0.337122616034E+03 -0.26290E-01 -0.22115E-01 5921 0.910E-01 0.867E-01 RMM: 3 -0.337115296337E+03 0.73197E-02 -0.11657E-02 5547 0.225E-01 0.213E-01 RMM: 4 -0.337114963940E+03 0.33240E-03 -0.99757E-04 4888 0.653E-02 0.128E-01 RMM: 5 -0.337114860663E+03 0.10328E-03 -0.13009E-04 3868 0.295E-02 0.830E-02 RMM: 6 -0.337114835011E+03 0.25652E-04 -0.29288E-05 2727 0.162E-02 0.703E-02 RMM: 7 -0.337114843519E+03 -0.85084E-05 -0.60452E-05 3290 0.197E-02 6100 T= 6296. E= 0.67559390E+03 F= 0.61915415E+03 E0= 0.64771370E+03 EK= 0.51270E+02 SP= 0.52E+01 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337826955115E+03 -0.71212E+00 -0.27901E-01 8848 0.232E+01 0.214E-01 RMM: 2 -0.337856559263E+03 -0.29604E-01 -0.25072E-01 6294 0.981E-01 0.931E-01 RMM: 3 -0.337849056344E+03 0.75029E-02 -0.11262E-02 5525 0.225E-01 0.194E-01 RMM: 4 -0.337848860097E+03 0.19625E-03 -0.96826E-04 4841 0.667E-02 0.160E-01 RMM: 5 -0.337848700669E+03 0.15943E-03 -0.14417E-04 3905 0.307E-02 0.880E-02 RMM: 6 -0.337848682281E+03 0.18388E-04 -0.32159E-05 2867 0.171E-02 6101 T= 6379. E= 0.67558274E+03 F= 0.61842031E+03 E0= 0.64696839E+03 EK= 0.51946E+02 SP= 0.52E+01 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338173119782E+03 -0.32442E+00 -0.31322E-01 8824 0.233E+01 0.257E-01 RMM: 2 -0.338210218810E+03 -0.37099E-01 -0.26068E-01 6732 0.965E-01 0.136E+00 RMM: 3 -0.338196089487E+03 0.14129E-01 -0.10519E-02 5388 0.244E-01 0.253E-01 RMM: 4 -0.338195766381E+03 0.32311E-03 -0.11569E-03 4935 0.663E-02 0.148E-01 RMM: 5 -0.338195647209E+03 0.11917E-03 -0.11867E-04 4088 0.274E-02 0.110E-01 RMM: 6 -0.338195630121E+03 0.17088E-04 -0.33817E-05 2830 0.174E-02 6102 T= 6416. E= 0.67557612E+03 F= 0.61807336E+03 E0= 0.64660355E+03 EK= 0.52245E+02 SP= 0.53E+01 SK= 0.34E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338040712550E+03 0.15493E+00 -0.35027E-01 8616 0.234E+01 0.510E-01 RMM: 2 -0.338131937601E+03 -0.91225E-01 -0.30417E-01 5657 0.108E+00 0.306E+00 RMM: 3 -0.338064381346E+03 0.67556E-01 -0.31335E-02 5357 0.421E-01 0.503E-01 RMM: 4 -0.338062576048E+03 0.18053E-02 -0.40312E-03 5426 0.125E-01 0.141E-01 RMM: 5 -0.338062515331E+03 0.60717E-04 -0.45229E-04 4660 0.378E-02 0.133E-01 RMM: 6 -0.338062439552E+03 0.75779E-04 -0.55361E-05 3273 0.206E-02 0.948E-02 RMM: 7 -0.338062527493E+03 -0.87941E-04 -0.10863E-04 3851 0.264E-02 0.146E-01 RMM: 8 -0.338062408237E+03 0.11926E-03 -0.16968E-04 3902 0.274E-02 0.588E-02 RMM: 9 -0.338062396546E+03 0.11691E-04 -0.34783E-05 2884 0.163E-02 6103 T= 6394. E= 0.67557379E+03 F= 0.61820659E+03 E0= 0.64671127E+03 EK= 0.52071E+02 SP= 0.53E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337398688867E+03 0.66372E+00 -0.39737E-01 8712 0.234E+01 0.414E-01 RMM: 2 -0.337461674768E+03 -0.62986E-01 -0.29689E-01 6506 0.992E-01 0.228E+00 RMM: 3 -0.337423457224E+03 0.38218E-01 -0.19709E-02 5370 0.346E-01 0.404E-01 RMM: 4 -0.337422670386E+03 0.78684E-03 -0.29870E-03 5317 0.117E-01 0.243E-01 RMM: 5 -0.337422515728E+03 0.15466E-03 -0.44160E-04 4219 0.522E-02 0.198E-01 RMM: 6 -0.337422270437E+03 0.24529E-03 -0.14442E-04 3878 0.328E-02 0.636E-02 RMM: 7 -0.337422337185E+03 -0.66748E-04 -0.78121E-05 3578 0.226E-02 0.115E-01 RMM: 8 -0.337422277948E+03 0.59237E-04 -0.73927E-05 3694 0.239E-02 0.454E-02 RMM: 9 -0.337422269966E+03 0.79819E-05 -0.16709E-05 2544 0.118E-02 6104 T= 6312. E= 0.67557636E+03 F= 0.61884672E+03 E0= 0.64731611E+03 EK= 0.51399E+02 SP= 0.53E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336290058318E+03 0.11322E+01 -0.45173E-01 8728 0.232E+01 0.282E-01 RMM: 2 -0.336332714324E+03 -0.42656E-01 -0.29935E-01 6614 0.101E+00 0.145E+00 RMM: 3 -0.336316134762E+03 0.16580E-01 -0.12838E-02 5406 0.263E-01 0.304E-01 RMM: 4 -0.336315516087E+03 0.61868E-03 -0.14607E-03 4844 0.785E-02 0.117E-01 RMM: 5 -0.336315447945E+03 0.68141E-04 -0.16947E-04 4191 0.301E-02 0.103E-01 RMM: 6 -0.336315395812E+03 0.52133E-04 -0.33719E-05 2894 0.178E-02 0.640E-02 RMM: 7 -0.336315413137E+03 -0.17325E-04 -0.71535E-05 3546 0.218E-02 6105 T= 6173. E= 0.67558245E+03 F= 0.61995358E+03 E0= 0.64837898E+03 EK= 0.50271E+02 SP= 0.54E+01 SK= 0.95E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334815243427E+03 0.15002E+01 -0.48800E-01 8768 0.229E+01 0.228E-01 RMM: 2 -0.334851607161E+03 -0.36364E-01 -0.30381E-01 6878 0.103E+00 0.103E+00 RMM: 3 -0.334842438640E+03 0.91685E-02 -0.10818E-02 5450 0.233E-01 0.224E-01 RMM: 4 -0.334842121806E+03 0.31683E-03 -0.10047E-03 4891 0.645E-02 0.120E-01 RMM: 5 -0.334842044658E+03 0.77149E-04 -0.11479E-04 4021 0.264E-02 0.903E-02 RMM: 6 -0.334842029395E+03 0.15263E-04 -0.31136E-05 2815 0.170E-02 6106 T= 5992. E= 0.67559143E+03 F= 0.62142696E+03 E0= 0.64980291E+03 EK= 0.48792E+02 SP= 0.54E+01 SK= 0.67E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.333121533331E+03 0.17205E+01 -0.51382E-01 8792 0.225E+01 0.393E-01 RMM: 2 -0.333182696456E+03 -0.61163E-01 -0.34536E-01 5697 0.116E+00 0.206E+00 RMM: 3 -0.333150776037E+03 0.31920E-01 -0.26315E-02 5413 0.371E-01 0.395E-01 RMM: 4 -0.333149752766E+03 0.10233E-02 -0.29130E-03 5520 0.101E-01 0.138E-01 RMM: 5 -0.333149673065E+03 0.79702E-04 -0.26388E-04 4021 0.353E-02 0.130E-01 RMM: 6 -0.333149608996E+03 0.64069E-04 -0.65224E-05 3397 0.227E-02 0.922E-02 RMM: 7 -0.333149676116E+03 -0.67120E-04 -0.97809E-05 3819 0.255E-02 0.132E-01 RMM: 8 -0.333149600077E+03 0.76039E-04 -0.15476E-04 3894 0.284E-02 0.665E-02 RMM: 9 -0.333149579282E+03 0.20795E-04 -0.32102E-05 2840 0.159E-02 0.352E-02 RMM: 10 -0.333149590958E+03 -0.11676E-04 -0.15923E-05 2515 0.125E-02 6107 T= 5786. E= 0.67560347E+03 F= 0.62311940E+03 E0= 0.65144123E+03 EK= 0.47115E+02 SP= 0.54E+01 SK= 0.62E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331385272809E+03 0.17643E+01 -0.47368E-01 8792 0.222E+01 0.422E-01 RMM: 2 -0.331448668462E+03 -0.63396E-01 -0.32271E-01 5674 0.111E+00 0.224E+00 RMM: 3 -0.331412082405E+03 0.36586E-01 -0.23435E-02 5397 0.352E-01 0.383E-01 RMM: 4 -0.331411327227E+03 0.75518E-03 -0.31848E-03 5337 0.118E-01 0.241E-01 RMM: 5 -0.331411216318E+03 0.11091E-03 -0.54230E-04 4378 0.555E-02 0.204E-01 RMM: 6 -0.331410948302E+03 0.26802E-03 -0.19303E-04 3884 0.367E-02 0.644E-02 RMM: 7 -0.331410976415E+03 -0.28113E-04 -0.65660E-05 3454 0.216E-02 0.876E-02 RMM: 8 -0.331410955365E+03 0.21050E-04 -0.45625E-05 3043 0.194E-02 0.525E-02 RMM: 9 -0.331410942221E+03 0.13144E-04 -0.17442E-05 2527 0.126E-02 6108 T= 5577. E= 0.67561528E+03 F= 0.62485805E+03 E0= 0.65312644E+03 EK= 0.45415E+02 SP= 0.53E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329765790843E+03 0.16452E+01 -0.39282E-01 8816 0.218E+01 0.244E-01 RMM: 2 -0.329799320911E+03 -0.33530E-01 -0.27247E-01 5934 0.101E+00 0.106E+00 RMM: 3 -0.329789463283E+03 0.98576E-02 -0.14519E-02 5561 0.255E-01 0.196E-01 RMM: 4 -0.329789234257E+03 0.22903E-03 -0.12050E-03 5079 0.689E-02 0.142E-01 RMM: 5 -0.329789106586E+03 0.12767E-03 -0.15372E-04 4079 0.307E-02 0.832E-02 RMM: 6 -0.329789079944E+03 0.26642E-04 -0.35744E-05 2925 0.176E-02 0.614E-02 RMM: 7 -0.329789101939E+03 -0.21995E-04 -0.51649E-05 3228 0.195E-02 0.896E-02 RMM: 8 -0.329789051370E+03 0.50569E-04 -0.57810E-05 3403 0.207E-02 0.304E-02 RMM: 9 -0.329789052800E+03 -0.14299E-05 -0.16407E-05 2504 0.114E-02 6109 T= 5386. E= 0.67562384E+03 F= 0.62647994E+03 E0= 0.65469787E+03 EK= 0.43858E+02 SP= 0.53E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328384349935E+03 0.14047E+01 -0.31833E-01 8904 0.215E+01 0.232E-01 RMM: 2 -0.328416339041E+03 -0.31989E-01 -0.25590E-01 5512 0.994E-01 0.107E+00 RMM: 3 -0.328406468816E+03 0.98702E-02 -0.17180E-02 5724 0.252E-01 0.220E-01 RMM: 4 -0.328406005700E+03 0.46312E-03 -0.12444E-03 4805 0.765E-02 0.130E-01 RMM: 5 -0.328405934009E+03 0.71692E-04 -0.18615E-04 3921 0.331E-02 0.944E-02 RMM: 6 -0.328405881436E+03 0.52573E-04 -0.46314E-05 3117 0.200E-02 0.467E-02 RMM: 7 -0.328405896686E+03 -0.15250E-04 -0.33792E-05 2819 0.171E-02 6110 T= 5227. E= 0.67562859E+03 F= 0.62786309E+03 E0= 0.65603585E+03 EK= 0.42568E+02 SP= 0.52E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327310547950E+03 0.10953E+01 -0.26901E-01 8936 0.213E+01 0.186E-01 RMM: 2 -0.327336891208E+03 -0.26343E-01 -0.23001E-01 5553 0.952E-01 0.783E-01 RMM: 3 -0.327330919533E+03 0.59717E-02 -0.16226E-02 5844 0.232E-01 0.151E-01 RMM: 4 -0.327330629660E+03 0.28987E-03 -0.89894E-04 4818 0.647E-02 0.133E-01 RMM: 5 -0.327330542697E+03 0.86963E-04 -0.13441E-04 3852 0.294E-02 0.798E-02 RMM: 6 -0.327330516273E+03 0.26423E-04 -0.34701E-05 2910 0.175E-02 0.520E-02 RMM: 7 -0.327330555535E+03 -0.39262E-04 -0.46637E-05 3184 0.190E-02 0.880E-02 RMM: 8 -0.327330512056E+03 0.43479E-04 -0.44788E-05 3062 0.197E-02 0.257E-02 RMM: 9 -0.327330513148E+03 -0.10919E-05 -0.12345E-05 2479 0.102E-02 6111 T= 5111. E= 0.67563020E+03 F= 0.62893848E+03 E0= 0.65707242E+03 EK= 0.41620E+02 SP= 0.50E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326570303822E+03 0.76021E+00 -0.23183E-01 8936 0.212E+01 0.203E-01 RMM: 2 -0.326594205033E+03 -0.23901E-01 -0.20375E-01 5477 0.902E-01 0.837E-01 RMM: 3 -0.326587809046E+03 0.63960E-02 -0.13891E-02 5839 0.220E-01 0.174E-01 RMM: 4 -0.326587542493E+03 0.26655E-03 -0.91498E-04 4760 0.684E-02 0.150E-01 RMM: 5 -0.326587420719E+03 0.12177E-03 -0.16156E-04 3899 0.316E-02 0.859E-02 RMM: 6 -0.326587377927E+03 0.42792E-04 -0.40473E-05 3049 0.192E-02 0.413E-02 RMM: 7 -0.326587393098E+03 -0.15172E-04 -0.26291E-05 2584 0.151E-02 6112 T= 5040. E= 0.67563022E+03 F= 0.62968160E+03 E0= 0.65778435E+03 EK= 0.41042E+02 SP= 0.48E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326165329018E+03 0.42205E+00 -0.19671E-01 8976 0.212E+01 0.212E-01 RMM: 2 -0.326187092100E+03 -0.21763E-01 -0.17505E-01 5837 0.812E-01 0.904E-01 RMM: 3 -0.326179962178E+03 0.71299E-02 -0.10342E-02 5770 0.201E-01 0.182E-01 RMM: 4 -0.326179704808E+03 0.25737E-03 -0.79739E-04 4840 0.586E-02 0.112E-01 RMM: 5 -0.326179634406E+03 0.70402E-04 -0.10244E-04 3843 0.236E-02 0.705E-02 RMM: 6 -0.326179623952E+03 0.10454E-04 -0.23958E-05 2602 0.149E-02 6113 T= 5015. E= 0.67563000E+03 F= 0.63008937E+03 E0= 0.65816863E+03 EK= 0.40840E+02 SP= 0.45E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326098153886E+03 0.81481E-01 -0.19303E-01 8968 0.213E+01 0.271E-01 RMM: 2 -0.326128759799E+03 -0.30606E-01 -0.18953E-01 5524 0.870E-01 0.139E+00 RMM: 3 -0.326114155399E+03 0.14604E-01 -0.15454E-02 5464 0.262E-01 0.269E-01 RMM: 4 -0.326113634711E+03 0.52069E-03 -0.14567E-03 5034 0.734E-02 0.115E-01 RMM: 5 -0.326113567888E+03 0.66823E-04 -0.15665E-04 4148 0.288E-02 0.906E-02 RMM: 6 -0.326113541205E+03 0.26683E-04 -0.31342E-05 2837 0.164E-02 0.737E-02 RMM: 7 -0.326113591152E+03 -0.49947E-04 -0.82034E-05 3679 0.234E-02 0.112E-01 RMM: 8 -0.326113520811E+03 0.70341E-04 -0.10955E-04 3886 0.237E-02 0.413E-02 RMM: 9 -0.326113515379E+03 0.54322E-05 -0.19859E-05 2588 0.127E-02 6114 T= 5038. E= 0.67563081E+03 F= 0.63015547E+03 E0= 0.65821932E+03 EK= 0.41025E+02 SP= 0.42E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326398200847E+03 -0.28468E+00 -0.18277E-01 8968 0.213E+01 0.307E-01 RMM: 2 -0.326430449650E+03 -0.32249E-01 -0.18207E-01 5656 0.835E-01 0.151E+00 RMM: 3 -0.326412838444E+03 0.17611E-01 -0.14261E-02 5430 0.257E-01 0.300E-01 RMM: 4 -0.326412263574E+03 0.57487E-03 -0.17941E-03 4738 0.896E-02 0.155E-01 RMM: 5 -0.326412195774E+03 0.67800E-04 -0.24469E-04 4037 0.359E-02 0.132E-01 RMM: 6 -0.326412089707E+03 0.10607E-03 -0.64452E-05 3415 0.231E-02 0.507E-02 RMM: 7 -0.326412116013E+03 -0.26307E-04 -0.43729E-05 3079 0.183E-02 0.819E-02 RMM: 8 -0.326412083978E+03 0.32035E-04 -0.54012E-05 3174 0.206E-02 0.340E-02 RMM: 9 -0.326412080496E+03 0.34818E-05 -0.14556E-05 2494 0.107E-02 6115 T= 5111. E= 0.67563263E+03 F= 0.62985691E+03 E0= 0.65791240E+03 EK= 0.41623E+02 SP= 0.38E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327100066413E+03 -0.68798E+00 -0.17536E-01 9040 0.214E+01 0.226E-01 RMM: 2 -0.327125180153E+03 -0.25114E-01 -0.17502E-01 5813 0.820E-01 0.112E+00 RMM: 3 -0.327114889637E+03 0.10291E-01 -0.12005E-02 5487 0.223E-01 0.228E-01 RMM: 4 -0.327114514864E+03 0.37477E-03 -0.11272E-03 4977 0.658E-02 0.107E-01 RMM: 5 -0.327114441238E+03 0.73626E-04 -0.12280E-04 4031 0.246E-02 0.804E-02 RMM: 6 -0.327114414124E+03 0.27114E-04 -0.21078E-05 2583 0.138E-02 0.622E-02 RMM: 7 -0.327114417902E+03 -0.37780E-05 -0.44812E-05 3082 0.180E-02 6116 T= 5240. E= 0.67563373E+03 F= 0.62915457E+03 E0= 0.65720807E+03 EK= 0.42671E+02 SP= 0.34E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328242365420E+03 -0.11280E+01 -0.17119E-01 9080 0.216E+01 0.177E-01 RMM: 2 -0.328262603695E+03 -0.20238E-01 -0.17221E-01 5850 0.817E-01 0.770E-01 RMM: 3 -0.328257190357E+03 0.54133E-02 -0.10790E-02 5621 0.204E-01 0.173E-01 RMM: 4 -0.328256945793E+03 0.24456E-03 -0.79418E-04 4944 0.553E-02 0.102E-01 RMM: 5 -0.328256885849E+03 0.59944E-04 -0.79896E-05 3615 0.215E-02 0.756E-02 RMM: 6 -0.328256876789E+03 0.90600E-05 -0.22184E-05 2575 0.140E-02 6117 T= 5429. E= 0.67563165E+03 F= 0.62801211E+03 E0= 0.65606909E+03 EK= 0.44207E+02 SP= 0.29E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329821855029E+03 -0.15650E+01 -0.17469E-01 8976 0.219E+01 0.294E-01 RMM: 2 -0.329859878086E+03 -0.38023E-01 -0.19144E-01 5271 0.891E-01 0.172E+00 RMM: 3 -0.329837815250E+03 0.22063E-01 -0.18750E-02 5448 0.293E-01 0.281E-01 RMM: 4 -0.329837245203E+03 0.57005E-03 -0.19400E-03 5241 0.808E-02 0.105E-01 RMM: 5 -0.329837179880E+03 0.65324E-04 -0.16108E-04 4529 0.282E-02 0.927E-02 RMM: 6 -0.329837158689E+03 0.21191E-04 -0.23751E-05 2574 0.143E-02 0.841E-02 RMM: 7 -0.329837195784E+03 -0.37095E-04 -0.97248E-05 3836 0.256E-02 0.118E-01 RMM: 8 -0.329837106672E+03 0.89111E-04 -0.14432E-04 3901 0.257E-02 0.435E-02 RMM: 9 -0.329837099221E+03 0.74515E-05 -0.20862E-05 2609 0.127E-02 6118 T= 5677. E= 0.67562497E+03 F= 0.62643189E+03 E0= 0.65449579E+03 EK= 0.46227E+02 SP= 0.24E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331767156951E+03 -0.19301E+01 -0.18042E-01 9016 0.223E+01 0.331E-01 RMM: 2 -0.331807260234E+03 -0.40103E-01 -0.19668E-01 5072 0.910E-01 0.180E+00 RMM: 3 -0.331782993974E+03 0.24266E-01 -0.19399E-02 5455 0.303E-01 0.269E-01 RMM: 4 -0.331782616302E+03 0.37767E-03 -0.22637E-03 5053 0.100E-01 0.193E-01 RMM: 5 -0.331782493227E+03 0.12308E-03 -0.33530E-04 3927 0.422E-02 0.147E-01 RMM: 6 -0.331782346012E+03 0.14721E-03 -0.97550E-05 3733 0.276E-02 0.448E-02 RMM: 7 -0.331782354270E+03 -0.82580E-05 -0.31108E-05 2813 0.163E-02 6119 T= 5975. E= 0.67561307E+03 F= 0.62448664E+03 E0= 0.65255938E+03 EK= 0.48657E+02 SP= 0.18E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333924258262E+03 -0.21419E+01 -0.19955E-01 8952 0.229E+01 0.210E-01 RMM: 2 -0.333952572337E+03 -0.28314E-01 -0.20731E-01 5241 0.932E-01 0.113E+00 RMM: 3 -0.333941853200E+03 0.10719E-01 -0.16213E-02 5627 0.258E-01 0.211E-01 RMM: 4 -0.333941457780E+03 0.39542E-03 -0.12283E-03 5031 0.701E-02 0.103E-01 RMM: 5 -0.333941394525E+03 0.63255E-04 -0.14596E-04 4091 0.299E-02 0.815E-02 RMM: 6 -0.333941364638E+03 0.29888E-04 -0.28340E-05 2593 0.158E-02 0.604E-02 RMM: 7 -0.333941365537E+03 -0.89976E-06 -0.43372E-05 3052 0.185E-02 6120 T= 6305. E= 0.67559817E+03 F= 0.62232762E+03 E0= 0.65041069E+03 EK= 0.51343E+02 SP= 0.13E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336096765066E+03 -0.21554E+01 -0.20892E-01 9104 0.236E+01 0.209E-01 RMM: 2 -0.336122383973E+03 -0.25619E-01 -0.21375E-01 5362 0.931E-01 0.922E-01 RMM: 3 -0.336114953320E+03 0.74307E-02 -0.16646E-02 5876 0.244E-01 0.179E-01 RMM: 4 -0.336114599603E+03 0.35372E-03 -0.99598E-04 4822 0.674E-02 0.139E-01 RMM: 5 -0.336114465205E+03 0.13440E-03 -0.15141E-04 3887 0.317E-02 0.730E-02 RMM: 6 -0.336114444527E+03 0.20679E-04 -0.31014E-05 2699 0.162E-02 0.586E-02 RMM: 7 -0.336114432762E+03 0.11765E-04 -0.32648E-05 2625 0.172E-02 6121 T= 6641. E= 0.67558324E+03 F= 0.62015456E+03 E0= 0.64825046E+03 EK= 0.54080E+02 SP= 0.68E+00 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338076680594E+03 -0.19622E+01 -0.24707E-01 9080 0.243E+01 0.205E-01 RMM: 2 -0.338104309893E+03 -0.27629E-01 -0.24814E-01 5332 0.104E+00 0.781E-01 RMM: 3 -0.338098315890E+03 0.59940E-02 -0.19056E-02 5910 0.263E-01 0.199E-01 RMM: 4 -0.338097901117E+03 0.41477E-03 -0.11035E-03 4989 0.702E-02 0.151E-01 RMM: 5 -0.338097733034E+03 0.16808E-03 -0.17060E-04 3915 0.339E-02 0.848E-02 RMM: 6 -0.338097707539E+03 0.25495E-04 -0.36495E-05 2809 0.174E-02 0.739E-02 RMM: 7 -0.338097679769E+03 0.27770E-04 -0.55341E-05 3156 0.208E-02 0.687E-02 RMM: 8 -0.338097651265E+03 0.28504E-04 -0.39271E-05 2731 0.167E-02 0.424E-02 RMM: 9 -0.338097660082E+03 -0.88174E-05 -0.38104E-05 2726 0.161E-02 6122 T= 6957. E= 0.67557039E+03 F= 0.61817133E+03 E0= 0.64628322E+03 EK= 0.56653E+02 SP= 0.10E+00 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339698274500E+03 -0.16006E+01 -0.24474E-01 9072 0.249E+01 0.239E-01 RMM: 2 -0.339723979604E+03 -0.25705E-01 -0.24405E-01 5506 0.101E+00 0.689E-01 RMM: 3 -0.339718902313E+03 0.50773E-02 -0.16974E-02 6005 0.241E-01 0.174E-01 RMM: 4 -0.339718660762E+03 0.24155E-03 -0.10219E-03 4808 0.716E-02 0.217E-01 RMM: 5 -0.339718326456E+03 0.33431E-03 -0.21918E-04 3898 0.385E-02 0.732E-02 RMM: 6 -0.339718304187E+03 0.22268E-04 -0.48089E-05 3137 0.196E-02 0.582E-02 RMM: 7 -0.339718287863E+03 0.16324E-04 -0.34331E-05 2649 0.173E-02 6123 T= 7230. E= 0.67556132E+03 F= 0.61655070E+03 E0= 0.64468015E+03 EK= 0.58873E+02 SP= -.46E+00 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340837404423E+03 -0.11191E+01 -0.23999E-01 9136 0.254E+01 0.192E-01 RMM: 2 -0.340862432315E+03 -0.25028E-01 -0.22540E-01 5789 0.937E-01 0.760E-01 RMM: 3 -0.340856421579E+03 0.60107E-02 -0.12610E-02 5983 0.216E-01 0.197E-01 RMM: 4 -0.340856055427E+03 0.36615E-03 -0.83385E-04 4880 0.597E-02 0.126E-01 RMM: 5 -0.340855938444E+03 0.11698E-03 -0.11390E-04 3819 0.268E-02 0.903E-02 RMM: 6 -0.340855924237E+03 0.14207E-04 -0.29278E-05 2632 0.157E-02 6124 T= 7442. E= 0.67555642E+03 F= 0.61541307E+03 E0= 0.64356363E+03 EK= 0.60604E+02 SP= -.99E+00 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341432405855E+03 -0.57647E+00 -0.23786E-01 9064 0.257E+01 0.255E-01 RMM: 2 -0.341465198609E+03 -0.32793E-01 -0.22478E-01 5627 0.942E-01 0.132E+00 RMM: 3 -0.341450972141E+03 0.14226E-01 -0.15092E-02 5471 0.264E-01 0.222E-01 RMM: 4 -0.341450635708E+03 0.33643E-03 -0.14431E-03 5166 0.716E-02 0.120E-01 RMM: 5 -0.341450528682E+03 0.10703E-03 -0.14063E-04 4095 0.297E-02 0.842E-02 RMM: 6 -0.341450508034E+03 0.20647E-04 -0.28014E-05 2613 0.156E-02 0.739E-02 RMM: 7 -0.341450517342E+03 -0.93084E-05 -0.74417E-05 3626 0.228E-02 6125 T= 7585. E= 0.67555480E+03 F= 0.61481847E+03 E0= 0.64299472E+03 EK= 0.61769E+02 SP= -.15E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341486126564E+03 -0.35619E-01 -0.22688E-01 8992 0.259E+01 0.284E-01 RMM: 2 -0.341516763854E+03 -0.30637E-01 -0.20859E-01 5609 0.919E-01 0.132E+00 RMM: 3 -0.341502966111E+03 0.13798E-01 -0.13734E-02 5646 0.247E-01 0.253E-01 RMM: 4 -0.341502616410E+03 0.34970E-03 -0.15590E-03 4731 0.868E-02 0.181E-01 RMM: 5 -0.341502438809E+03 0.17760E-03 -0.25623E-04 3891 0.399E-02 0.114E-01 RMM: 6 -0.341502365297E+03 0.73511E-04 -0.67539E-05 3454 0.235E-02 0.546E-02 RMM: 7 -0.341502384830E+03 -0.19532E-04 -0.42886E-05 2963 0.182E-02 6126 T= 7657. E= 0.67555765E+03 F= 0.61476660E+03 E0= 0.64296948E+03 EK= 0.62355E+02 SP= -.19E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341049465604E+03 0.45290E+00 -0.22529E-01 8888 0.258E+01 0.232E-01 RMM: 2 -0.341078263934E+03 -0.28798E-01 -0.21366E-01 5558 0.937E-01 0.116E+00 RMM: 3 -0.341067212182E+03 0.11052E-01 -0.13885E-02 5596 0.251E-01 0.193E-01 RMM: 4 -0.341066947302E+03 0.26488E-03 -0.11316E-03 5103 0.665E-02 0.123E-01 RMM: 5 -0.341066854373E+03 0.92929E-04 -0.12975E-04 3935 0.290E-02 0.835E-02 RMM: 6 -0.341066829617E+03 0.24756E-04 -0.33924E-05 2889 0.172E-02 0.691E-02 RMM: 7 -0.341066851955E+03 -0.22339E-04 -0.69446E-05 3500 0.210E-02 0.979E-02 RMM: 8 -0.341066790479E+03 0.61477E-04 -0.77909E-05 3808 0.213E-02 0.281E-02 RMM: 9 -0.341066794097E+03 -0.36182E-05 -0.17729E-05 2551 0.117E-02 6127 T= 7664. E= 0.67556508E+03 F= 0.61520220E+03 E0= 0.64343254E+03 EK= 0.62408E+02 SP= -.23E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340223950763E+03 0.84284E+00 -0.21174E-01 8752 0.257E+01 0.203E-01 RMM: 2 -0.340247646201E+03 -0.23695E-01 -0.20775E-01 5542 0.930E-01 0.791E-01 RMM: 3 -0.340241399874E+03 0.62463E-02 -0.13138E-02 5852 0.234E-01 0.153E-01 RMM: 4 -0.340241274942E+03 0.12493E-03 -0.93303E-04 4782 0.691E-02 0.175E-01 RMM: 5 -0.340241065216E+03 0.20973E-03 -0.16720E-04 3895 0.338E-02 0.757E-02 RMM: 6 -0.340241034289E+03 0.30927E-04 -0.35545E-05 2932 0.180E-02 0.461E-02 RMM: 7 -0.340241034713E+03 -0.42388E-06 -0.31037E-05 2628 0.167E-02 6128 T= 7616. E= 0.67557383E+03 F= 0.61602795E+03 E0= 0.64428465E+03 EK= 0.62019E+02 SP= -.27E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339127111677E+03 0.11139E+01 -0.19550E-01 8712 0.256E+01 0.175E-01 RMM: 2 -0.339149089795E+03 -0.21978E-01 -0.19407E-01 5514 0.922E-01 0.739E-01 RMM: 3 -0.339143854203E+03 0.52356E-02 -0.13793E-02 6008 0.233E-01 0.161E-01 RMM: 4 -0.339143554395E+03 0.29981E-03 -0.71395E-04 4916 0.574E-02 0.109E-01 RMM: 5 -0.339143483671E+03 0.70724E-04 -0.86283E-05 3575 0.260E-02 0.794E-02 RMM: 6 -0.339143477004E+03 0.66675E-05 -0.26562E-05 2575 0.154E-02 6129 T= 7528. E= 0.67558275E+03 F= 0.61712551E+03 E0= 0.64540627E+03 EK= 0.61305E+02 SP= -.30E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337875600266E+03 0.12679E+01 -0.18343E-01 8504 0.254E+01 0.315E-01 RMM: 2 -0.337912591925E+03 -0.36992E-01 -0.19691E-01 5147 0.971E-01 0.169E+00 RMM: 3 -0.337891703570E+03 0.20888E-01 -0.19156E-02 5418 0.312E-01 0.273E-01 RMM: 4 -0.337891178030E+03 0.52554E-03 -0.18436E-03 5103 0.833E-02 0.113E-01 RMM: 5 -0.337891115314E+03 0.62716E-04 -0.17899E-04 4080 0.340E-02 0.918E-02 RMM: 6 -0.337891077210E+03 0.38104E-04 -0.33260E-05 2772 0.170E-02 0.639E-02 RMM: 7 -0.337891096550E+03 -0.19340E-04 -0.42179E-05 3039 0.196E-02 6130 T= 7415. E= 0.67559037E+03 F= 0.61837789E+03 E0= 0.64667778E+03 EK= 0.60385E+02 SP= -.33E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336563636372E+03 0.13274E+01 -0.16326E-01 8208 0.252E+01 0.313E-01 RMM: 2 -0.336596368131E+03 -0.32732E-01 -0.16337E-01 5106 0.886E-01 0.162E+00 RMM: 3 -0.336577073270E+03 0.19295E-01 -0.17777E-02 5390 0.305E-01 0.329E-01 RMM: 4 -0.336576360922E+03 0.71235E-03 -0.19800E-03 5135 0.928E-02 0.139E-01 RMM: 5 -0.336576332409E+03 0.28513E-04 -0.26738E-04 3926 0.398E-02 0.133E-01 RMM: 6 -0.336576209605E+03 0.12280E-03 -0.76583E-05 3510 0.252E-02 0.422E-02 RMM: 7 -0.336576217177E+03 -0.75723E-05 -0.23762E-05 2598 0.140E-02 6131 T= 7289. E= 0.67559550E+03 F= 0.61969277E+03 E0= 0.64800621E+03 EK= 0.59355E+02 SP= -.36E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335238223462E+03 0.13380E+01 -0.15380E-01 8192 0.251E+01 0.258E-01 RMM: 2 -0.335264474713E+03 -0.26251E-01 -0.15328E-01 5055 0.868E-01 0.137E+00 RMM: 3 -0.335250794536E+03 0.13680E-01 -0.15341E-02 5491 0.268E-01 0.223E-01 RMM: 4 -0.335250380467E+03 0.41407E-03 -0.12260E-03 4928 0.717E-02 0.996E-02 RMM: 5 -0.335250340841E+03 0.39625E-04 -0.14984E-04 3896 0.333E-02 0.855E-02 RMM: 6 -0.335250298273E+03 0.42569E-04 -0.36224E-05 2903 0.178E-02 0.492E-02 RMM: 7 -0.335250312396E+03 -0.14123E-04 -0.28872E-05 2603 0.163E-02 6132 T= 7156. E= 0.67559732E+03 F= 0.62101868E+03 E0= 0.64933847E+03 EK= 0.58272E+02 SP= -.38E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333908661899E+03 0.13416E+01 -0.15011E-01 8112 0.249E+01 0.221E-01 RMM: 2 -0.333927632018E+03 -0.18970E-01 -0.14146E-01 5019 0.850E-01 0.961E-01 RMM: 3 -0.333920509330E+03 0.71227E-02 -0.14127E-02 5698 0.246E-01 0.179E-01 RMM: 4 -0.333920226128E+03 0.28320E-03 -0.93025E-04 4866 0.649E-02 0.112E-01 RMM: 5 -0.333920170469E+03 0.55658E-04 -0.13258E-04 3864 0.316E-02 0.823E-02 RMM: 6 -0.333920126478E+03 0.43992E-04 -0.34214E-05 2887 0.177E-02 0.373E-02 RMM: 7 -0.333920127625E+03 -0.11473E-05 -0.19629E-05 2510 0.142E-02 6133 T= 7018. E= 0.67559697E+03 F= 0.62234886E+03 E0= 0.65066931E+03 EK= 0.57151E+02 SP= -.40E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332548611228E+03 0.13715E+01 -0.14223E-01 8296 0.248E+01 0.199E-01 RMM: 2 -0.332567250868E+03 -0.18640E-01 -0.13268E-01 5127 0.799E-01 0.971E-01 RMM: 3 -0.332559633844E+03 0.76170E-02 -0.11448E-02 5689 0.224E-01 0.181E-01 RMM: 4 -0.332559386280E+03 0.24756E-03 -0.84316E-04 4706 0.638E-02 0.110E-01 RMM: 5 -0.332559321638E+03 0.64642E-04 -0.12267E-04 3800 0.297E-02 0.780E-02 RMM: 6 -0.332559284748E+03 0.36890E-04 -0.28843E-05 2700 0.164E-02 0.436E-02 RMM: 7 -0.332559287110E+03 -0.23619E-05 -0.23688E-05 2538 0.148E-02 6134 T= 6873. E= 0.67559549E+03 F= 0.62370970E+03 E0= 0.65202490E+03 EK= 0.55972E+02 SP= -.41E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331117039184E+03 0.14422E+01 -0.14193E-01 8448 0.246E+01 0.198E-01 RMM: 2 -0.331134604332E+03 -0.17565E-01 -0.14350E-01 5129 0.827E-01 0.813E-01 RMM: 3 -0.331128891496E+03 0.57128E-02 -0.12417E-02 5902 0.228E-01 0.171E-01 RMM: 4 -0.331128646419E+03 0.24508E-03 -0.77803E-04 4776 0.608E-02 0.119E-01 RMM: 5 -0.331128562585E+03 0.83834E-04 -0.11226E-04 3731 0.292E-02 0.726E-02 RMM: 6 -0.331128534222E+03 0.28363E-04 -0.28674E-05 2692 0.164E-02 0.452E-02 RMM: 7 -0.331128534840E+03 -0.61794E-06 -0.28046E-05 2586 0.162E-02 6135 T= 6718. E= 0.67559495E+03 F= 0.62514045E+03 E0= 0.65344591E+03 EK= 0.54706E+02 SP= -.43E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329589086418E+03 0.15394E+01 -0.14975E-01 8472 0.244E+01 0.187E-01 RMM: 2 -0.329608237183E+03 -0.19151E-01 -0.15353E-01 5190 0.838E-01 0.860E-01 RMM: 3 -0.329601785169E+03 0.64520E-02 -0.12881E-02 6054 0.223E-01 0.171E-01 RMM: 4 -0.329601508442E+03 0.27673E-03 -0.78007E-04 4729 0.636E-02 0.121E-01 RMM: 5 -0.329601412659E+03 0.95783E-04 -0.11269E-04 3671 0.286E-02 0.727E-02 RMM: 6 -0.329601388431E+03 0.24228E-04 -0.26903E-05 2649 0.160E-02 0.504E-02 RMM: 7 -0.329601385806E+03 0.26252E-05 -0.31048E-05 2649 0.162E-02 6136 T= 6549. E= 0.67559610E+03 F= 0.62666760E+03 E0= 0.65495899E+03 EK= 0.53332E+02 SP= -.44E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327965379023E+03 0.16360E+01 -0.14715E-01 8504 0.241E+01 0.191E-01 RMM: 2 -0.327983584248E+03 -0.18205E-01 -0.14862E-01 5317 0.806E-01 0.819E-01 RMM: 3 -0.327977322963E+03 0.62613E-02 -0.11515E-02 5989 0.219E-01 0.161E-01 RMM: 4 -0.327977128149E+03 0.19481E-03 -0.73617E-04 4756 0.585E-02 0.115E-01 RMM: 5 -0.327977041906E+03 0.86243E-04 -0.10251E-04 3655 0.262E-02 0.711E-02 RMM: 6 -0.327977018972E+03 0.22934E-04 -0.25265E-05 2628 0.156E-02 0.509E-02 RMM: 7 -0.327977017797E+03 0.11746E-05 -0.26992E-05 2627 0.153E-02 6137 T= 6368. E= 0.67559942E+03 F= 0.62829197E+03 E0= 0.65656630E+03 EK= 0.51858E+02 SP= -.46E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326274905542E+03 0.17021E+01 -0.14544E-01 8584 0.238E+01 0.192E-01 RMM: 2 -0.326294528019E+03 -0.19622E-01 -0.15674E-01 5306 0.825E-01 0.865E-01 RMM: 3 -0.326287764298E+03 0.67637E-02 -0.13005E-02 6003 0.225E-01 0.185E-01 RMM: 4 -0.326287483488E+03 0.28081E-03 -0.81572E-04 4732 0.632E-02 0.111E-01 RMM: 5 -0.326287407650E+03 0.75838E-04 -0.11784E-04 3682 0.269E-02 0.770E-02 RMM: 6 -0.326287378325E+03 0.29326E-04 -0.27055E-05 2705 0.162E-02 0.501E-02 RMM: 7 -0.326287378150E+03 0.17443E-06 -0.24368E-05 2578 0.146E-02 6138 T= 6179. E= 0.67560448E+03 F= 0.62998161E+03 E0= 0.65823576E+03 EK= 0.50320E+02 SP= -.47E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324582739811E+03 0.17046E+01 -0.14934E-01 8608 0.234E+01 0.192E-01 RMM: 2 -0.324602124517E+03 -0.19385E-01 -0.16424E-01 5306 0.854E-01 0.795E-01 RMM: 3 -0.324596381440E+03 0.57431E-02 -0.14354E-02 6045 0.232E-01 0.148E-01 RMM: 4 -0.324596166367E+03 0.21507E-03 -0.77639E-04 4848 0.597E-02 0.121E-01 RMM: 5 -0.324596076088E+03 0.90279E-04 -0.11007E-04 3662 0.266E-02 0.762E-02 RMM: 6 -0.324596046454E+03 0.29635E-04 -0.29668E-05 2698 0.166E-02 0.469E-02 RMM: 7 -0.324596046806E+03 -0.35220E-06 -0.29330E-05 2637 0.159E-02 6139 T= 5991. E= 0.67561136E+03 F= 0.63167294E+03 E0= 0.65990542E+03 EK= 0.48790E+02 SP= -.49E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322979576103E+03 0.16165E+01 -0.15188E-01 8872 0.230E+01 0.192E-01 RMM: 2 -0.322999190476E+03 -0.19614E-01 -0.16243E-01 5389 0.843E-01 0.819E-01 RMM: 3 -0.322993073964E+03 0.61165E-02 -0.13689E-02 6119 0.224E-01 0.185E-01 RMM: 4 -0.322992759580E+03 0.31438E-03 -0.80818E-04 4733 0.626E-02 0.110E-01 RMM: 5 -0.322992687910E+03 0.71670E-04 -0.12179E-04 3676 0.267E-02 0.795E-02 RMM: 6 -0.322992655926E+03 0.31983E-04 -0.31413E-05 2785 0.169E-02 0.482E-02 RMM: 7 -0.322992658163E+03 -0.22362E-05 -0.25882E-05 2594 0.146E-02 6140 T= 5816. E= 0.67561946E+03 F= 0.63327633E+03 E0= 0.66148723E+03 EK= 0.47362E+02 SP= -.51E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321568858945E+03 0.14238E+01 -0.15659E-01 8912 0.226E+01 0.189E-01 RMM: 2 -0.321588908978E+03 -0.20050E-01 -0.16908E-01 5511 0.844E-01 0.801E-01 RMM: 3 -0.321582659261E+03 0.62497E-02 -0.12168E-02 6010 0.216E-01 0.168E-01 RMM: 4 -0.321582405616E+03 0.25364E-03 -0.76253E-04 4824 0.586E-02 0.112E-01 RMM: 5 -0.321582325713E+03 0.79903E-04 -0.10657E-04 3670 0.256E-02 0.762E-02 RMM: 6 -0.321582295507E+03 0.30206E-04 -0.28829E-05 2760 0.164E-02 0.441E-02 RMM: 7 -0.321582297513E+03 -0.20054E-05 -0.29927E-05 2641 0.156E-02 6141 T= 5667. E= 0.67562684E+03 F= 0.63468669E+03 E0= 0.66287894E+03 EK= 0.46145E+02 SP= -.53E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320456343587E+03 0.11260E+01 -0.15868E-01 8880 0.222E+01 0.181E-01 RMM: 2 -0.320475875672E+03 -0.19532E-01 -0.17284E-01 5513 0.857E-01 0.705E-01 RMM: 3 -0.320470736467E+03 0.51392E-02 -0.12182E-02 6102 0.210E-01 0.155E-01 RMM: 4 -0.320470475729E+03 0.26074E-03 -0.70581E-04 4733 0.595E-02 0.121E-01 RMM: 5 -0.320470380332E+03 0.95397E-04 -0.11169E-04 3736 0.265E-02 0.726E-02 RMM: 6 -0.320470352554E+03 0.27779E-04 -0.26282E-05 2702 0.159E-02 0.418E-02 RMM: 7 -0.320470354511E+03 -0.19572E-05 -0.25500E-05 2572 0.146E-02 6142 T= 5556. E= 0.67563296E+03 F= 0.63579863E+03 E0= 0.66397678E+03 EK= 0.45248E+02 SP= -.56E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319732572314E+03 0.73778E+00 -0.16066E-01 8840 0.220E+01 0.183E-01 RMM: 2 -0.319752625288E+03 -0.20053E-01 -0.17446E-01 5663 0.863E-01 0.750E-01 RMM: 3 -0.319747189531E+03 0.54358E-02 -0.11315E-02 6110 0.204E-01 0.158E-01 RMM: 4 -0.319746936212E+03 0.25332E-03 -0.66197E-04 4768 0.564E-02 0.112E-01 RMM: 5 -0.319746858778E+03 0.77433E-04 -0.98512E-05 3655 0.252E-02 0.738E-02 RMM: 6 -0.319746829361E+03 0.29418E-04 -0.27031E-05 2738 0.162E-02 0.402E-02 RMM: 7 -0.319746830624E+03 -0.12637E-05 -0.29915E-05 2620 0.156E-02 6143 T= 5497. E= 0.67563663E+03 F= 0.63652216E+03 E0= 0.66469230E+03 EK= 0.44765E+02 SP= -.58E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319456361384E+03 0.29047E+00 -0.15911E-01 8864 0.220E+01 0.166E-01 RMM: 2 -0.319475169570E+03 -0.18808E-01 -0.17415E-01 5521 0.869E-01 0.605E-01 RMM: 3 -0.319471190937E+03 0.39786E-02 -0.12349E-02 6266 0.205E-01 0.128E-01 RMM: 4 -0.319470951724E+03 0.23921E-03 -0.61280E-04 4585 0.564E-02 0.123E-01 RMM: 5 -0.319470847025E+03 0.10470E-03 -0.10272E-04 3695 0.271E-02 0.591E-02 RMM: 6 -0.319470830314E+03 0.16710E-04 -0.22575E-05 2576 0.143E-02 6144 T= 5496. E= 0.67563772E+03 F= 0.63679816E+03 E0= 0.66496726E+03 EK= 0.44758E+02 SP= -.61E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319650553522E+03 -0.17971E+00 -0.15375E-01 8840 0.220E+01 0.204E-01 RMM: 2 -0.319673767506E+03 -0.23214E-01 -0.17039E-01 5490 0.866E-01 0.103E+00 RMM: 3 -0.319665011704E+03 0.87558E-02 -0.12741E-02 5696 0.226E-01 0.198E-01 RMM: 4 -0.319664631031E+03 0.38067E-03 -0.87525E-04 4944 0.615E-02 0.848E-02 RMM: 5 -0.319664589255E+03 0.41776E-04 -0.10883E-04 3952 0.255E-02 0.716E-02 RMM: 6 -0.319664564495E+03 0.24761E-04 -0.23230E-05 2573 0.143E-02 0.521E-02 RMM: 7 -0.319664571453E+03 -0.69587E-05 -0.38001E-05 2906 0.181E-02 6145 T= 5557. E= 0.67563516E+03 F= 0.63660442E+03 E0= 0.66477927E+03 EK= 0.45251E+02 SP= -.65E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320296980396E+03 -0.63242E+00 -0.14593E-01 8808 0.223E+01 0.215E-01 RMM: 2 -0.320317434295E+03 -0.20454E-01 -0.16110E-01 5274 0.869E-01 0.920E-01 RMM: 3 -0.320310541816E+03 0.68925E-02 -0.13901E-02 5837 0.234E-01 0.197E-01 RMM: 4 -0.320310185268E+03 0.35655E-03 -0.99840E-04 4718 0.693E-02 0.117E-01 RMM: 5 -0.320310118086E+03 0.67182E-04 -0.14659E-04 3857 0.289E-02 0.828E-02 RMM: 6 -0.320310075696E+03 0.42389E-04 -0.27689E-05 2741 0.162E-02 0.322E-02 RMM: 7 -0.320310078072E+03 -0.23758E-05 -0.17513E-05 2506 0.129E-02 6146 T= 5677. E= 0.67563046E+03 F= 0.63595891E+03 E0= 0.66414717E+03 EK= 0.46231E+02 SP= -.69E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321343777652E+03 -0.10337E+01 -0.14189E-01 8856 0.227E+01 0.184E-01 RMM: 2 -0.321363698821E+03 -0.19921E-01 -0.16072E-01 5330 0.862E-01 0.861E-01 RMM: 3 -0.321357531004E+03 0.61678E-02 -0.13544E-02 5915 0.221E-01 0.160E-01 RMM: 4 -0.321357196178E+03 0.33483E-03 -0.72210E-04 4842 0.585E-02 0.108E-01 RMM: 5 -0.321357116034E+03 0.80144E-04 -0.10567E-04 3731 0.263E-02 0.683E-02 RMM: 6 -0.321357095159E+03 0.20874E-04 -0.26904E-05 2677 0.156E-02 0.532E-02 RMM: 7 -0.321357085339E+03 0.98196E-05 -0.36854E-05 2674 0.171E-02 6147 T= 5851. E= 0.67562458E+03 F= 0.63491190E+03 E0= 0.66311890E+03 EK= 0.47647E+02 SP= -.73E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322722053056E+03 -0.13650E+01 -0.12965E-01 8632 0.232E+01 0.178E-01 RMM: 2 -0.322739483533E+03 -0.17430E-01 -0.15229E-01 5165 0.861E-01 0.709E-01 RMM: 3 -0.322735165866E+03 0.43177E-02 -0.14264E-02 6112 0.221E-01 0.153E-01 RMM: 4 -0.322734820909E+03 0.34496E-03 -0.66182E-04 4759 0.586E-02 0.118E-01 RMM: 5 -0.322734723858E+03 0.97052E-04 -0.10176E-04 3681 0.278E-02 0.603E-02 RMM: 6 -0.322734712268E+03 0.11590E-04 -0.24171E-05 2570 0.146E-02 6148 T= 6070. E= 0.67561769E+03 F= 0.63353428E+03 E0= 0.66176506E+03 EK= 0.49428E+02 SP= -.78E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324347178253E+03 -0.16125E+01 -0.11957E-01 8344 0.238E+01 0.200E-01 RMM: 2 -0.324368139175E+03 -0.20961E-01 -0.14967E-01 5215 0.852E-01 0.102E+00 RMM: 3 -0.324359963460E+03 0.81757E-02 -0.13968E-02 5717 0.234E-01 0.190E-01 RMM: 4 -0.324359603380E+03 0.36008E-03 -0.87970E-04 4867 0.628E-02 0.106E-01 RMM: 5 -0.324359522963E+03 0.80417E-04 -0.10708E-04 3865 0.264E-02 0.741E-02 RMM: 6 -0.324359506933E+03 0.16030E-04 -0.24621E-05 2572 0.148E-02 6149 T= 6323. E= 0.67561053E+03 F= 0.63190948E+03 E0= 0.66016735E+03 EK= 0.51489E+02 SP= -.82E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326129614790E+03 -0.17701E+01 -0.11496E-01 7712 0.243E+01 0.340E-01 RMM: 2 -0.326166232097E+03 -0.36617E-01 -0.15009E-01 4992 0.916E-01 0.185E+00 RMM: 3 -0.326142016960E+03 0.24215E-01 -0.19497E-02 5411 0.320E-01 0.351E-01 RMM: 4 -0.326141101592E+03 0.91537E-03 -0.21514E-03 5025 0.960E-02 0.102E-01 RMM: 5 -0.326141047876E+03 0.53716E-04 -0.25073E-04 4271 0.332E-02 0.966E-02 RMM: 6 -0.326140998104E+03 0.49771E-04 -0.34917E-05 2820 0.181E-02 0.629E-02 RMM: 7 -0.326141006734E+03 -0.86295E-05 -0.38258E-05 2890 0.180E-02 6150 T= 6598. E= 0.67560289E+03 F= 0.63012798E+03 E0= 0.65841512E+03 EK= 0.53731E+02 SP= -.87E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327971652888E+03 -0.18307E+01 -0.11528E-01 7480 0.249E+01 0.266E-01 RMM: 2 -0.327998361428E+03 -0.26709E-01 -0.15403E-01 4839 0.918E-01 0.137E+00 RMM: 3 -0.327984658491E+03 0.13703E-01 -0.17702E-02 5476 0.290E-01 0.279E-01 RMM: 4 -0.327984150608E+03 0.50788E-03 -0.17348E-03 5018 0.907E-02 0.139E-01 RMM: 5 -0.327984059810E+03 0.90799E-04 -0.25927E-04 3917 0.394E-02 0.105E-01 RMM: 6 -0.327983989539E+03 0.70271E-04 -0.58979E-05 3332 0.218E-02 0.437E-02 RMM: 7 -0.327983992179E+03 -0.26404E-05 -0.23963E-05 2555 0.149E-02 6151 T= 6883. E= 0.67559481E+03 F= 0.62828500E+03 E0= 0.65660152E+03 EK= 0.56050E+02 SP= -.92E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329771961383E+03 -0.17880E+01 -0.12224E-01 7480 0.254E+01 0.226E-01 RMM: 2 -0.329794541590E+03 -0.22580E-01 -0.15511E-01 4814 0.939E-01 0.112E+00 RMM: 3 -0.329785546608E+03 0.89950E-02 -0.18389E-02 5715 0.270E-01 0.188E-01 RMM: 4 -0.329785167072E+03 0.37954E-03 -0.10751E-03 4873 0.719E-02 0.126E-01 RMM: 5 -0.329785050443E+03 0.11663E-03 -0.16060E-04 3934 0.342E-02 0.763E-02 RMM: 6 -0.329785020340E+03 0.30103E-04 -0.38547E-05 2866 0.182E-02 0.524E-02 RMM: 7 -0.329785011714E+03 0.86258E-05 -0.30770E-05 2606 0.163E-02 6152 T= 7163. E= 0.67558643E+03 F= 0.62648398E+03 E0= 0.65482935E+03 EK= 0.58331E+02 SP= -.96E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331425098306E+03 -0.16401E+01 -0.12229E-01 7528 0.259E+01 0.178E-01 RMM: 2 -0.331440305038E+03 -0.15207E-01 -0.12811E-01 4891 0.861E-01 0.741E-01 RMM: 3 -0.331436485263E+03 0.38198E-02 -0.14762E-02 6004 0.226E-01 0.173E-01 RMM: 4 -0.331436131576E+03 0.35369E-03 -0.71093E-04 4643 0.649E-02 0.124E-01 RMM: 5 -0.331436011916E+03 0.11966E-03 -0.13280E-04 3870 0.335E-02 0.591E-02 RMM: 6 -0.331435999446E+03 0.12470E-04 -0.30316E-05 2654 0.159E-02 6153 T= 7424. E= 0.67557899E+03 F= 0.62483299E+03 E0= 0.65320498E+03 EK= 0.60454E+02 SP= -.10E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332825011678E+03 -0.13890E+01 -0.13043E-01 7512 0.264E+01 0.182E-01 RMM: 2 -0.332842735310E+03 -0.17724E-01 -0.14539E-01 4863 0.910E-01 0.804E-01 RMM: 3 -0.332837954707E+03 0.47806E-02 -0.16348E-02 5879 0.239E-01 0.162E-01 RMM: 4 -0.332837642907E+03 0.31180E-03 -0.80596E-04 4714 0.682E-02 0.129E-01 RMM: 5 -0.332837509762E+03 0.13315E-03 -0.13045E-04 3873 0.323E-02 0.628E-02 RMM: 6 -0.332837497440E+03 0.12323E-04 -0.31187E-05 2604 0.162E-02 6154 T= 7651. E= 0.67557269E+03 F= 0.62343149E+03 E0= 0.65182709E+03 EK= 0.62303E+02 SP= -.10E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333896860855E+03 -0.10594E+01 -0.12905E-01 7360 0.267E+01 0.255E-01 RMM: 2 -0.333918895647E+03 -0.22035E-01 -0.13423E-01 4808 0.920E-01 0.124E+00 RMM: 3 -0.333908525997E+03 0.10370E-01 -0.16998E-02 5571 0.278E-01 0.265E-01 RMM: 4 -0.333907975315E+03 0.55068E-03 -0.12983E-03 4827 0.792E-02 0.106E-01 RMM: 5 -0.333907898688E+03 0.76627E-04 -0.17470E-04 3951 0.345E-02 0.862E-02 RMM: 6 -0.333907860545E+03 0.38143E-04 -0.36031E-05 2794 0.180E-02 0.550E-02 RMM: 7 -0.333907855638E+03 0.49069E-05 -0.34774E-05 2595 0.178E-02 6155 T= 7832. E= 0.67556793E+03 F= 0.62236113E+03 E0= 0.65077682E+03 EK= 0.63783E+02 SP= -.11E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334583034156E+03 -0.67517E+00 -0.13414E-01 7464 0.270E+01 0.216E-01 RMM: 2 -0.334601955031E+03 -0.18921E-01 -0.13418E-01 4764 0.894E-01 0.102E+00 RMM: 3 -0.334594765991E+03 0.71890E-02 -0.16164E-02 5707 0.258E-01 0.223E-01 RMM: 4 -0.334594360036E+03 0.40596E-03 -0.10799E-03 4830 0.759E-02 0.127E-01 RMM: 5 -0.334594246164E+03 0.11387E-03 -0.16922E-04 3898 0.346E-02 0.767E-02 RMM: 6 -0.334594216067E+03 0.30097E-04 -0.33499E-05 2755 0.171E-02 0.460E-02 RMM: 7 -0.334594210517E+03 0.55501E-05 -0.26466E-05 2546 0.155E-02 6156 T= 7961. E= 0.67556541E+03 F= 0.62167478E+03 E0= 0.65010556E+03 EK= 0.64827E+02 SP= -.11E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334862431442E+03 -0.26822E+00 -0.13862E-01 7472 0.271E+01 0.197E-01 RMM: 2 -0.334881194176E+03 -0.18763E-01 -0.13783E-01 4792 0.895E-01 0.977E-01 RMM: 3 -0.334874503131E+03 0.66910E-02 -0.16175E-02 5770 0.249E-01 0.172E-01 RMM: 4 -0.334874179179E+03 0.32395E-03 -0.85267E-04 4749 0.664E-02 0.109E-01 RMM: 5 -0.334874095416E+03 0.83763E-04 -0.12680E-04 3891 0.320E-02 0.711E-02 RMM: 6 -0.334874070589E+03 0.24827E-04 -0.31691E-05 2646 0.166E-02 0.498E-02 RMM: 7 -0.334874064862E+03 0.57272E-05 -0.28504E-05 2583 0.157E-02 6157 T= 8031. E= 0.67556586E+03 F= 0.62139492E+03 E0= 0.64983514E+03 EK= 0.65403E+02 SP= -.11E+02 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334743883976E+03 0.13019E+00 -0.14269E-01 7512 0.271E+01 0.187E-01 RMM: 2 -0.334760935259E+03 -0.17051E-01 -0.14296E-01 4830 0.896E-01 0.788E-01 RMM: 3 -0.334756371961E+03 0.45633E-02 -0.16097E-02 5877 0.236E-01 0.152E-01 RMM: 4 -0.334756065163E+03 0.30680E-03 -0.78090E-04 4778 0.652E-02 0.120E-01 RMM: 5 -0.334755969423E+03 0.95740E-04 -0.11695E-04 3786 0.316E-02 0.637E-02 RMM: 6 -0.334755948626E+03 0.20797E-04 -0.29188E-05 2603 0.160E-02 0.449E-02 RMM: 7 -0.334755939056E+03 0.95697E-05 -0.31574E-05 2587 0.164E-02 6158 T= 8045. E= 0.67556807E+03 F= 0.62151305E+03 E0= 0.64995794E+03 EK= 0.65513E+02 SP= -.12E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334262032428E+03 0.49392E+00 -0.14287E-01 7512 0.271E+01 0.178E-01 RMM: 2 -0.334277163656E+03 -0.15131E-01 -0.13227E-01 4750 0.883E-01 0.712E-01 RMM: 3 -0.334273704734E+03 0.34589E-02 -0.15778E-02 6045 0.231E-01 0.148E-01 RMM: 4 -0.334273389955E+03 0.31478E-03 -0.71914E-04 4670 0.674E-02 0.128E-01 RMM: 5 -0.334273276889E+03 0.11307E-03 -0.11707E-04 3735 0.323E-02 0.567E-02 RMM: 6 -0.334273263335E+03 0.13554E-04 -0.26788E-05 2555 0.148E-02 6159 T= 8005. E= 0.67557259E+03 F= 0.62199573E+03 E0= 0.65044066E+03 EK= 0.65187E+02 SP= -.12E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333470625806E+03 0.80265E+00 -0.13929E-01 7392 0.269E+01 0.206E-01 RMM: 2 -0.333489321745E+03 -0.18696E-01 -0.12285E-01 4964 0.835E-01 0.107E+00 RMM: 3 -0.333481191368E+03 0.81304E-02 -0.13822E-02 5632 0.231E-01 0.194E-01 RMM: 4 -0.333480820993E+03 0.37038E-03 -0.81794E-04 4752 0.637E-02 0.923E-02 RMM: 5 -0.333480762188E+03 0.58805E-04 -0.11436E-04 3976 0.288E-02 0.644E-02 RMM: 6 -0.333480744391E+03 0.17796E-04 -0.26490E-05 2599 0.150E-02 6160 T= 7918. E= 0.67557856E+03 F= 0.62278824E+03 E0= 0.65123088E+03 EK= 0.64481E+02 SP= -.12E+02 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332437028250E+03 0.10437E+01 -0.14003E-01 7328 0.267E+01 0.325E-01 RMM: 2 -0.332473324228E+03 -0.36296E-01 -0.12277E-01 4906 0.871E-01 0.194E+00 RMM: 3 -0.332446538418E+03 0.26786E-01 -0.17205E-02 5403 0.309E-01 0.247E-01 RMM: 4 -0.332446122432E+03 0.41599E-03 -0.17538E-03 5031 0.828E-02 0.105E-01 RMM: 5 -0.332446080093E+03 0.42339E-04 -0.18431E-04 3994 0.319E-02 0.990E-02 RMM: 6 -0.332446019122E+03 0.60971E-04 -0.38878E-05 2967 0.185E-02 0.463E-02 RMM: 7 -0.332446023438E+03 -0.43159E-05 -0.22829E-05 2536 0.148E-02 6161 T= 7794. E= 0.67558522E+03 F= 0.62382297E+03 E0= 0.65226284E+03 EK= 0.63467E+02 SP= -.12E+02 SK= 0.36E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331233217271E+03 0.12128E+01 -0.14267E-01 7384 0.264E+01 0.301E-01 RMM: 2 -0.331257806714E+03 -0.24589E-01 -0.12243E-01 4975 0.862E-01 0.147E+00 RMM: 3 -0.331242949613E+03 0.14857E-01 -0.15434E-02 5432 0.281E-01 0.314E-01 RMM: 4 -0.331242286081E+03 0.66353E-03 -0.16493E-03 4904 0.871E-02 0.109E-01 RMM: 5 -0.331242281646E+03 0.44346E-05 -0.22898E-04 3909 0.357E-02 0.120E-01 RMM: 6 -0.331242185520E+03 0.96126E-04 -0.55246E-05 3275 0.217E-02 0.338E-02 RMM: 7 -0.331242184749E+03 0.77175E-06 -0.16796E-05 2505 0.124E-02 6162 T= 7641. E= 0.67559179E+03 F= 0.62502680E+03 E0= 0.65346500E+03 EK= 0.62225E+02 SP= -.12E+02 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329932678945E+03 0.13095E+01 -0.13357E-01 7392 0.260E+01 0.220E-01 RMM: 2 -0.329949337116E+03 -0.16658E-01 -0.10059E-01 5107 0.768E-01 0.111E+00 RMM: 3 -0.329940990381E+03 0.83467E-02 -0.10838E-02 5601 0.217E-01 0.184E-01 RMM: 4 -0.329940726192E+03 0.26419E-03 -0.80437E-04 4724 0.615E-02 0.119E-01 RMM: 5 -0.329940636277E+03 0.89915E-04 -0.12106E-04 3821 0.289E-02 0.734E-02 RMM: 6 -0.329940603813E+03 0.32464E-04 -0.30453E-05 2780 0.166E-02 0.461E-02 RMM: 7 -0.329940602171E+03 0.16417E-05 -0.32358E-05 2574 0.167E-02 6163 T= 7470. E= 0.67559773E+03 F= 0.62632839E+03 E0= 0.65476661E+03 EK= 0.60834E+02 SP= -.12E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328599568048E+03 0.13410E+01 -0.13099E-01 7472 0.256E+01 0.211E-01 RMM: 2 -0.328613683476E+03 -0.14115E-01 -0.95329E-02 5095 0.748E-01 0.968E-01 RMM: 3 -0.328607409088E+03 0.62744E-02 -0.10629E-02 5636 0.211E-01 0.175E-01 RMM: 4 -0.328607167567E+03 0.24152E-03 -0.76416E-04 4736 0.601E-02 0.106E-01 RMM: 5 -0.328607110757E+03 0.56810E-04 -0.11561E-04 3781 0.275E-02 0.776E-02 RMM: 6 -0.328607074985E+03 0.35772E-04 -0.28510E-05 2789 0.163E-02 0.362E-02 RMM: 7 -0.328607076040E+03 -0.10555E-05 -0.15173E-05 2492 0.121E-02 6164 T= 7291. E= 0.67560344E+03 F= 0.62766191E+03 E0= 0.65610259E+03 EK= 0.59372E+02 SP= -.11E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327292519103E+03 0.13146E+01 -0.13468E-01 7456 0.252E+01 0.183E-01 RMM: 2 -0.327306380562E+03 -0.13861E-01 -0.11259E-01 5025 0.795E-01 0.781E-01 RMM: 3 -0.327302215473E+03 0.41651E-02 -0.12442E-02 5938 0.203E-01 0.152E-01 RMM: 4 -0.327301947880E+03 0.26759E-03 -0.66577E-04 4712 0.610E-02 0.132E-01 RMM: 5 -0.327301831741E+03 0.11614E-03 -0.11370E-04 3743 0.282E-02 0.649E-02 RMM: 6 -0.327301807950E+03 0.23790E-04 -0.26117E-05 2660 0.155E-02 0.382E-02 RMM: 7 -0.327301805979E+03 0.19709E-05 -0.22858E-05 2518 0.140E-02 6165 T= 7111. E= 0.67560832E+03 F= 0.62896718E+03 E0= 0.65741146E+03 EK= 0.57906E+02 SP= -.11E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326068815381E+03 0.12330E+01 -0.12740E-01 7528 0.249E+01 0.199E-01 RMM: 2 -0.326083706941E+03 -0.14892E-01 -0.10767E-01 4947 0.790E-01 0.927E-01 RMM: 3 -0.326078008325E+03 0.56986E-02 -0.12590E-02 5784 0.217E-01 0.149E-01 RMM: 4 -0.326077769353E+03 0.23897E-03 -0.72499E-04 4787 0.594E-02 0.112E-01 RMM: 5 -0.326077695053E+03 0.74300E-04 -0.10825E-04 3736 0.270E-02 0.731E-02 RMM: 6 -0.326077664460E+03 0.30593E-04 -0.29331E-05 2721 0.165E-02 0.376E-02 RMM: 7 -0.326077667476E+03 -0.30161E-05 -0.19097E-05 2508 0.133E-02 6166 T= 6938. E= 0.67561293E+03 F= 0.63019132E+03 E0= 0.65863956E+03 EK= 0.56500E+02 SP= -.11E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324975816605E+03 0.11018E+01 -0.12372E-01 7672 0.245E+01 0.192E-01 RMM: 2 -0.324989509308E+03 -0.13693E-01 -0.10388E-01 4940 0.770E-01 0.840E-01 RMM: 3 -0.324984638426E+03 0.48709E-02 -0.11916E-02 5865 0.209E-01 0.155E-01 RMM: 4 -0.324984383031E+03 0.25540E-03 -0.66989E-04 4780 0.585E-02 0.115E-01 RMM: 5 -0.324984298469E+03 0.84562E-04 -0.10249E-04 3679 0.264E-02 0.641E-02 RMM: 6 -0.324984276268E+03 0.22200E-04 -0.24862E-05 2567 0.152E-02 0.350E-02 RMM: 7 -0.324984277569E+03 -0.13004E-05 -0.16108E-05 2496 0.122E-02 6167 T= 6780. E= 0.67561760E+03 F= 0.63128471E+03 E0= 0.65973617E+03 EK= 0.55212E+02 SP= -.11E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324060789221E+03 0.92349E+00 -0.12710E-01 7584 0.242E+01 0.178E-01 RMM: 2 -0.324074433607E+03 -0.13644E-01 -0.10845E-01 4878 0.784E-01 0.786E-01 RMM: 3 -0.324070167529E+03 0.42661E-02 -0.12593E-02 5901 0.210E-01 0.131E-01 RMM: 4 -0.324069938343E+03 0.22919E-03 -0.62417E-04 4757 0.570E-02 0.115E-01 RMM: 5 -0.324069858631E+03 0.79713E-04 -0.96178E-05 3623 0.267E-02 0.686E-02 RMM: 6 -0.324069830900E+03 0.27731E-04 -0.27487E-05 2617 0.161E-02 0.350E-02 RMM: 7 -0.324069832205E+03 -0.13047E-05 -0.18808E-05 2495 0.132E-02 6168 T= 6643. E= 0.67562127E+03 F= 0.63219916E+03 E0= 0.66065214E+03 EK= 0.54095E+02 SP= -.11E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323366811838E+03 0.70302E+00 -0.12631E-01 7664 0.239E+01 0.186E-01 RMM: 2 -0.323380504664E+03 -0.13693E-01 -0.10226E-01 4927 0.768E-01 0.847E-01 RMM: 3 -0.323375525793E+03 0.49789E-02 -0.11837E-02 5836 0.209E-01 0.151E-01 RMM: 4 -0.323375259569E+03 0.26622E-03 -0.65222E-04 4816 0.574E-02 0.987E-02 RMM: 5 -0.323375198362E+03 0.61207E-04 -0.93432E-05 3714 0.254E-02 0.619E-02 RMM: 6 -0.323375178634E+03 0.19728E-04 -0.23580E-05 2554 0.148E-02 6169 T= 6532. E= 0.67562434E+03 F= 0.63289381E+03 E0= 0.66134600E+03 EK= 0.53195E+02 SP= -.11E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322922691895E+03 0.45251E+00 -0.12418E-01 7560 0.238E+01 0.182E-01 RMM: 2 -0.322938018088E+03 -0.15326E-01 -0.10746E-01 4914 0.764E-01 0.917E-01 RMM: 3 -0.322932038632E+03 0.59795E-02 -0.12053E-02 5734 0.213E-01 0.182E-01 RMM: 4 -0.322931688242E+03 0.35039E-03 -0.68625E-04 4825 0.575E-02 0.826E-02 RMM: 5 -0.322931647076E+03 0.41166E-04 -0.91998E-05 3791 0.251E-02 0.655E-02 RMM: 6 -0.322931627050E+03 0.20025E-04 -0.22833E-05 2544 0.143E-02 0.527E-02 RMM: 7 -0.322931640771E+03 -0.13721E-04 -0.46095E-05 3067 0.196E-02 6170 T= 6453. E= 0.67562526E+03 F= 0.63333735E+03 E0= 0.66178625E+03 EK= 0.52546E+02 SP= -.10E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322748007301E+03 0.18362E+00 -0.11957E-01 7472 0.237E+01 0.218E-01 RMM: 2 -0.322760557098E+03 -0.12550E-01 -0.85045E-02 4955 0.714E-01 0.918E-01 RMM: 3 -0.322754806373E+03 0.57507E-02 -0.99247E-03 5631 0.208E-01 0.191E-01 RMM: 4 -0.322754583439E+03 0.22293E-03 -0.83086E-04 4660 0.652E-02 0.134E-01 RMM: 5 -0.322754523110E+03 0.60329E-04 -0.14936E-04 3831 0.313E-02 0.984E-02 RMM: 6 -0.322754460011E+03 0.63099E-04 -0.40706E-05 3082 0.198E-02 0.293E-02 RMM: 7 -0.322754458595E+03 0.14158E-05 -0.12943E-05 2486 0.112E-02 6171 T= 6406. E= 0.67562481E+03 F= 0.63351453E+03 E0= 0.66195714E+03 EK= 0.52165E+02 SP= -.10E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322830204281E+03 -0.75744E-01 -0.12125E-01 7624 0.237E+01 0.167E-01 RMM: 2 -0.322843247603E+03 -0.13043E-01 -0.10045E-01 5016 0.739E-01 0.793E-01 RMM: 3 -0.322838796686E+03 0.44509E-02 -0.10634E-02 5837 0.195E-01 0.141E-01 RMM: 4 -0.322838547272E+03 0.24941E-03 -0.54612E-04 4747 0.527E-02 0.988E-02 RMM: 5 -0.322838480621E+03 0.66650E-04 -0.86829E-05 3590 0.256E-02 0.619E-02 RMM: 6 -0.322838459108E+03 0.21514E-04 -0.25106E-05 2563 0.150E-02 0.428E-02 RMM: 7 -0.322838453344E+03 0.57643E-05 -0.31537E-05 2557 0.162E-02 6172 T= 6392. E= 0.67562373E+03 F= 0.63343054E+03 E0= 0.66186423E+03 EK= 0.52050E+02 SP= -.99E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323153438068E+03 -0.31498E+00 -0.11975E-01 7576 0.238E+01 0.190E-01 RMM: 2 -0.323165889552E+03 -0.12451E-01 -0.92364E-02 4922 0.739E-01 0.833E-01 RMM: 3 -0.323161238468E+03 0.46511E-02 -0.10832E-02 5763 0.206E-01 0.145E-01 RMM: 4 -0.323161025499E+03 0.21297E-03 -0.63905E-04 4836 0.549E-02 0.105E-01 RMM: 5 -0.323160971136E+03 0.54363E-04 -0.97973E-05 3665 0.277E-02 0.678E-02 RMM: 6 -0.323160944115E+03 0.27020E-04 -0.26241E-05 2618 0.155E-02 0.348E-02 RMM: 7 -0.323160946801E+03 -0.26857E-05 -0.18022E-05 2500 0.135E-02 6173 T= 6407. E= 0.67562126E+03 F= 0.63310804E+03 E0= 0.66153123E+03 EK= 0.52176E+02 SP= -.97E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323675573270E+03 -0.51463E+00 -0.12133E-01 7456 0.239E+01 0.190E-01 RMM: 2 -0.323688135502E+03 -0.12562E-01 -0.93538E-02 5010 0.738E-01 0.848E-01 RMM: 3 -0.323683433485E+03 0.47020E-02 -0.10390E-02 5842 0.196E-01 0.159E-01 RMM: 4 -0.323683183926E+03 0.24956E-03 -0.64153E-04 4669 0.589E-02 0.117E-01 RMM: 5 -0.323683097572E+03 0.86354E-04 -0.11224E-04 3717 0.282E-02 0.679E-02 RMM: 6 -0.323683070806E+03 0.26766E-04 -0.25268E-05 2624 0.153E-02 0.375E-02 RMM: 7 -0.323683068557E+03 0.22489E-05 -0.18028E-05 2487 0.131E-02 6174 T= 6447. E= 0.67561798E+03 F= 0.63258592E+03 E0= 0.66099760E+03 EK= 0.52503E+02 SP= -.95E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324345273559E+03 -0.66220E+00 -0.12507E-01 7616 0.241E+01 0.194E-01 RMM: 2 -0.324360040292E+03 -0.14767E-01 -0.11625E-01 4869 0.826E-01 0.832E-01 RMM: 3 -0.324355350113E+03 0.46902E-02 -0.13781E-02 5870 0.221E-01 0.146E-01 RMM: 4 -0.324355071604E+03 0.27851E-03 -0.72616E-04 4872 0.604E-02 0.120E-01 RMM: 5 -0.324354993087E+03 0.78517E-04 -0.11839E-04 3753 0.303E-02 0.724E-02 RMM: 6 -0.324354961230E+03 0.31858E-04 -0.30362E-05 2707 0.163E-02 0.383E-02 RMM: 7 -0.324354958283E+03 0.29473E-05 -0.25806E-05 2525 0.158E-02 6175 T= 6506. E= 0.67561446E+03 F= 0.63191403E+03 E0= 0.66031479E+03 EK= 0.52981E+02 SP= -.94E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325115752251E+03 -0.76079E+00 -0.12647E-01 7496 0.242E+01 0.194E-01 RMM: 2 -0.325132200567E+03 -0.16448E-01 -0.13055E-01 4845 0.862E-01 0.865E-01 RMM: 3 -0.325127158223E+03 0.50423E-02 -0.15354E-02 5976 0.222E-01 0.167E-01 RMM: 4 -0.325126764673E+03 0.39355E-03 -0.80089E-04 4767 0.674E-02 0.116E-01 RMM: 5 -0.325126683303E+03 0.81369E-04 -0.12909E-04 3792 0.306E-02 0.702E-02 RMM: 6 -0.325126655721E+03 0.27583E-04 -0.27561E-05 2621 0.155E-02 0.384E-02 RMM: 7 -0.325126653880E+03 0.18406E-05 -0.19775E-05 2500 0.139E-02 6176 T= 6577. E= 0.67561075E+03 F= 0.63114234E+03 E0= 0.65953490E+03 EK= 0.53556E+02 SP= -.92E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325940765285E+03 -0.81411E+00 -0.11827E-01 7584 0.244E+01 0.180E-01 RMM: 2 -0.325953195584E+03 -0.12430E-01 -0.10302E-01 4967 0.772E-01 0.734E-01 RMM: 3 -0.325949686211E+03 0.35094E-02 -0.11858E-02 5952 0.199E-01 0.129E-01 RMM: 4 -0.325949455490E+03 0.23072E-03 -0.59347E-04 4734 0.569E-02 0.128E-01 RMM: 5 -0.325949350707E+03 0.10478E-03 -0.10606E-04 3715 0.292E-02 0.613E-02 RMM: 6 -0.325949329858E+03 0.20849E-04 -0.24497E-05 2560 0.146E-02 0.395E-02 RMM: 7 -0.325949324244E+03 0.56139E-05 -0.22708E-05 2512 0.146E-02 6177 T= 6653. E= 0.67560718E+03 F= 0.63031967E+03 E0= 0.65870849E+03 EK= 0.54177E+02 SP= -.90E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326769447447E+03 -0.82012E+00 -0.12141E-01 7576 0.245E+01 0.180E-01 RMM: 2 -0.326782438971E+03 -0.12992E-01 -0.10570E-01 5001 0.786E-01 0.769E-01 RMM: 3 -0.326778553845E+03 0.38851E-02 -0.11675E-02 5919 0.197E-01 0.151E-01 RMM: 4 -0.326778270193E+03 0.28365E-03 -0.63948E-04 4690 0.607E-02 0.113E-01 RMM: 5 -0.326778187679E+03 0.82515E-04 -0.10453E-04 3700 0.283E-02 0.636E-02 RMM: 6 -0.326778167333E+03 0.20345E-04 -0.23973E-05 2556 0.147E-02 0.402E-02 RMM: 7 -0.326778163285E+03 0.40487E-05 -0.18966E-05 2502 0.132E-02 6178 T= 6729. E= 0.67560355E+03 F= 0.62949083E+03 E0= 0.65788172E+03 EK= 0.54795E+02 SP= -.88E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327566549542E+03 -0.78838E+00 -0.12324E-01 7560 0.247E+01 0.173E-01 RMM: 2 -0.327578149080E+03 -0.11600E-01 -0.94676E-02 5002 0.741E-01 0.730E-01 RMM: 3 -0.327574633124E+03 0.35160E-02 -0.10579E-02 5895 0.189E-01 0.136E-01 RMM: 4 -0.327574398481E+03 0.23464E-03 -0.55575E-04 4605 0.561E-02 0.118E-01 RMM: 5 -0.327574311478E+03 0.87003E-04 -0.96192E-05 3616 0.282E-02 0.625E-02 RMM: 6 -0.327574291243E+03 0.20235E-04 -0.23854E-05 2553 0.146E-02 0.388E-02 RMM: 7 -0.327574286925E+03 0.43181E-05 -0.19370E-05 2505 0.133E-02 6179 T= 6799. E= 0.67560039E+03 F= 0.62869470E+03 E0= 0.65709484E+03 EK= 0.55370E+02 SP= -.86E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328299509513E+03 -0.72522E+00 -0.12659E-01 7680 0.248E+01 0.179E-01 RMM: 2 -0.328310883279E+03 -0.11374E-01 -0.85721E-02 5021 0.714E-01 0.793E-01 RMM: 3 -0.328306720849E+03 0.41624E-02 -0.95188E-03 5842 0.187E-01 0.157E-01 RMM: 4 -0.328306460006E+03 0.26084E-03 -0.55541E-04 4628 0.547E-02 0.101E-01 RMM: 5 -0.328306393507E+03 0.66499E-04 -0.88862E-05 3562 0.262E-02 0.653E-02 RMM: 6 -0.328306372147E+03 0.21359E-04 -0.24176E-05 2557 0.150E-02 0.386E-02 RMM: 7 -0.328306370138E+03 0.20088E-05 -0.16617E-05 2497 0.122E-02 6180 T= 6861. E= 0.67559840E+03 F= 0.62796262E+03 E0= 0.65637944E+03 EK= 0.55868E+02 SP= -.83E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328947178421E+03 -0.64081E+00 -0.12406E-01 7720 0.248E+01 0.177E-01 RMM: 2 -0.328958499774E+03 -0.11321E-01 -0.86378E-02 4981 0.711E-01 0.775E-01 RMM: 3 -0.328954459954E+03 0.40398E-02 -0.97586E-03 5852 0.189E-01 0.146E-01 RMM: 4 -0.328954224919E+03 0.23504E-03 -0.54607E-04 4605 0.538E-02 0.104E-01 RMM: 5 -0.328954158525E+03 0.66394E-04 -0.87059E-05 3559 0.264E-02 0.639E-02 RMM: 6 -0.328954136947E+03 0.21578E-04 -0.23835E-05 2554 0.148E-02 0.356E-02 RMM: 7 -0.328954136342E+03 0.60506E-06 -0.17229E-05 2501 0.124E-02 6181 T= 6909. E= 0.67559667E+03 F= 0.62731485E+03 E0= 0.65575528E+03 EK= 0.56266E+02 SP= -.81E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329498385180E+03 -0.54425E+00 -0.11851E-01 7560 0.249E+01 0.187E-01 RMM: 2 -0.329511554800E+03 -0.13170E-01 -0.94137E-02 4978 0.739E-01 0.871E-01 RMM: 3 -0.329506445874E+03 0.51089E-02 -0.10844E-02 5790 0.198E-01 0.169E-01 RMM: 4 -0.329506153849E+03 0.29203E-03 -0.64378E-04 4664 0.583E-02 0.934E-02 RMM: 5 -0.329506100562E+03 0.53287E-04 -0.94481E-05 3662 0.258E-02 0.695E-02 RMM: 6 -0.329506074272E+03 0.26289E-04 -0.25650E-05 2576 0.156E-02 0.357E-02 RMM: 7 -0.329506073886E+03 0.38652E-06 -0.14744E-05 2490 0.116E-02 6182 T= 6944. E= 0.67559639E+03 F= 0.62676292E+03 E0= 0.65523252E+03 EK= 0.56551E+02 SP= -.79E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329954489912E+03 -0.44842E+00 -0.12371E-01 7528 0.249E+01 0.179E-01 RMM: 2 -0.329966829820E+03 -0.12340E-01 -0.93472E-02 4978 0.732E-01 0.804E-01 RMM: 3 -0.329962381577E+03 0.44482E-02 -0.10466E-02 5784 0.196E-01 0.135E-01 RMM: 4 -0.329962179692E+03 0.20189E-03 -0.59507E-04 4687 0.544E-02 0.101E-01 RMM: 5 -0.329962117949E+03 0.61743E-04 -0.85974E-05 3584 0.257E-02 0.655E-02 RMM: 6 -0.329962094064E+03 0.23885E-04 -0.24190E-05 2559 0.150E-02 0.337E-02 RMM: 7 -0.329962095138E+03 -0.10748E-05 -0.17584E-05 2502 0.126E-02 6183 T= 6965. E= 0.67559646E+03 F= 0.62630689E+03 E0= 0.65480944E+03 EK= 0.56721E+02 SP= -.76E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330320867277E+03 -0.35877E+00 -0.12465E-01 7560 0.249E+01 0.181E-01 RMM: 2 -0.330332681702E+03 -0.11814E-01 -0.82261E-02 4977 0.696E-01 0.856E-01 RMM: 3 -0.330327743068E+03 0.49386E-02 -0.92813E-03 5718 0.192E-01 0.158E-01 RMM: 4 -0.330327528017E+03 0.21505E-03 -0.57565E-04 4653 0.548E-02 0.971E-02 RMM: 5 -0.330327474304E+03 0.53713E-04 -0.88145E-05 3603 0.252E-02 0.703E-02 RMM: 6 -0.330327445980E+03 0.28324E-04 -0.25453E-05 2605 0.157E-02 0.342E-02 RMM: 7 -0.330327445919E+03 0.61271E-07 -0.14033E-05 2484 0.115E-02 6184 T= 6973. E= 0.67559674E+03 F= 0.62594154E+03 E0= 0.65447831E+03 EK= 0.56781E+02 SP= -.73E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330606045872E+03 -0.27860E+00 -0.12198E-01 7440 0.248E+01 0.170E-01 RMM: 2 -0.330616103364E+03 -0.10057E-01 -0.75918E-02 5063 0.664E-01 0.761E-01 RMM: 3 -0.330612213489E+03 0.38899E-02 -0.79943E-03 5703 0.181E-01 0.120E-01 RMM: 4 -0.330612115876E+03 0.97613E-04 -0.48639E-04 4611 0.487E-02 0.109E-01 RMM: 5 -0.330612042226E+03 0.73650E-04 -0.71119E-05 3477 0.231E-02 0.658E-02 RMM: 6 -0.330612017941E+03 0.24285E-04 -0.23084E-05 2556 0.147E-02 0.333E-02 RMM: 7 -0.330612017463E+03 0.47760E-06 -0.19246E-05 2500 0.131E-02 6185 T= 6968. E= 0.67559761E+03 F= 0.62565697E+03 E0= 0.65422689E+03 EK= 0.56741E+02 SP= -.70E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330823685782E+03 -0.21167E+00 -0.11756E-01 7624 0.247E+01 0.167E-01 RMM: 2 -0.330833852909E+03 -0.10167E-01 -0.78277E-02 5062 0.673E-01 0.736E-01 RMM: 3 -0.330830182595E+03 0.36703E-02 -0.82885E-03 5813 0.176E-01 0.142E-01 RMM: 4 -0.330830004770E+03 0.17783E-03 -0.48258E-04 4580 0.513E-02 0.105E-01 RMM: 5 -0.330829938751E+03 0.66019E-04 -0.79627E-05 3500 0.244E-02 0.664E-02 RMM: 6 -0.330829913589E+03 0.25162E-04 -0.23429E-05 2567 0.152E-02 0.330E-02 RMM: 7 -0.330829913796E+03 -0.20750E-06 -0.13951E-05 2481 0.113E-02 6186 T= 6952. E= 0.67559874E+03 F= 0.62543908E+03 E0= 0.65403832E+03 EK= 0.56616E+02 SP= -.67E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330991908124E+03 -0.16199E+00 -0.11962E-01 7672 0.246E+01 0.179E-01 RMM: 2 -0.331002679017E+03 -0.10771E-01 -0.79464E-02 5054 0.685E-01 0.800E-01 RMM: 3 -0.330998418828E+03 0.42602E-02 -0.85726E-03 5739 0.185E-01 0.143E-01 RMM: 4 -0.330998248540E+03 0.17029E-03 -0.53348E-04 4658 0.513E-02 0.104E-01 RMM: 5 -0.330998187012E+03 0.61529E-04 -0.81072E-05 3557 0.245E-02 0.682E-02 RMM: 6 -0.330998159871E+03 0.27140E-04 -0.23614E-05 2569 0.149E-02 0.320E-02 RMM: 7 -0.330998160661E+03 -0.78984E-06 -0.17441E-05 2494 0.126E-02 6187 T= 6929. E= 0.67560005E+03 F= 0.62527083E+03 E0= 0.65389289E+03 EK= 0.56425E+02 SP= -.63E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331128781099E+03 -0.13062E+00 -0.12037E-01 7704 0.245E+01 0.182E-01 RMM: 2 -0.331140776465E+03 -0.11995E-01 -0.86880E-02 5010 0.716E-01 0.834E-01 RMM: 3 -0.331136105092E+03 0.46714E-02 -0.98030E-03 5774 0.192E-01 0.158E-01 RMM: 4 -0.331135869808E+03 0.23528E-03 -0.59780E-04 4666 0.559E-02 0.104E-01 RMM: 5 -0.331135805925E+03 0.63882E-04 -0.93825E-05 3621 0.256E-02 0.675E-02 RMM: 6 -0.331135779262E+03 0.26663E-04 -0.24340E-05 2579 0.153E-02 0.335E-02 RMM: 7 -0.331135779817E+03 -0.55548E-06 -0.14938E-05 2488 0.118E-02 6188 T= 6900. E= 0.67560125E+03 F= 0.62513321E+03 E0= 0.65376918E+03 EK= 0.56186E+02 SP= -.60E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331254907713E+03 -0.11913E+00 -0.11960E-01 7696 0.244E+01 0.199E-01 RMM: 2 -0.331268011381E+03 -0.13104E-01 -0.88942E-02 5106 0.721E-01 0.935E-01 RMM: 3 -0.331262238060E+03 0.57733E-02 -0.97095E-03 5701 0.197E-01 0.180E-01 RMM: 4 -0.331261952238E+03 0.28582E-03 -0.67258E-04 4723 0.568E-02 0.920E-02 RMM: 5 -0.331261912501E+03 0.39738E-04 -0.97418E-05 3675 0.256E-02 0.762E-02 RMM: 6 -0.331261877639E+03 0.34862E-04 -0.26473E-05 2689 0.159E-02 0.328E-02 RMM: 7 -0.331261879048E+03 -0.14091E-05 -0.15189E-05 2495 0.117E-02 6189 T= 6867. E= 0.67560234E+03 F= 0.62500711E+03 E0= 0.65364577E+03 EK= 0.55921E+02 SP= -.56E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331389841006E+03 -0.12796E+00 -0.11598E-01 7800 0.243E+01 0.198E-01 RMM: 2 -0.331402792676E+03 -0.12952E-01 -0.84146E-02 5115 0.698E-01 0.947E-01 RMM: 3 -0.331396722497E+03 0.60702E-02 -0.91936E-03 5699 0.193E-01 0.169E-01 RMM: 4 -0.331396476334E+03 0.24616E-03 -0.65467E-04 4686 0.564E-02 0.101E-01 RMM: 5 -0.331396417057E+03 0.59277E-04 -0.99090E-05 3678 0.256E-02 0.697E-02 RMM: 6 -0.331396387712E+03 0.29345E-04 -0.25059E-05 2627 0.155E-02 0.352E-02 RMM: 7 -0.331396388559E+03 -0.84657E-06 -0.17681E-05 2499 0.127E-02 6190 T= 6834. E= 0.67560335E+03 F= 0.62487260E+03 E0= 0.65350170E+03 EK= 0.55652E+02 SP= -.52E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331550770991E+03 -0.15438E+00 -0.11740E-01 7752 0.242E+01 0.203E-01 RMM: 2 -0.331564432302E+03 -0.13661E-01 -0.91832E-02 5037 0.727E-01 0.959E-01 RMM: 3 -0.331558368308E+03 0.60640E-02 -0.10487E-02 5713 0.205E-01 0.189E-01 RMM: 4 -0.331558045305E+03 0.32300E-03 -0.71983E-04 4726 0.584E-02 0.896E-02 RMM: 5 -0.331558010537E+03 0.34768E-04 -0.10629E-04 3729 0.265E-02 0.801E-02 RMM: 6 -0.331557971763E+03 0.38774E-04 -0.28617E-05 2774 0.164E-02 0.354E-02 RMM: 7 -0.331557972744E+03 -0.98143E-06 -0.15810E-05 2496 0.122E-02 6191 T= 6803. E= 0.67560359E+03 F= 0.62471102E+03 E0= 0.65331773E+03 EK= 0.55398E+02 SP= -.48E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331749082509E+03 -0.19111E+00 -0.11374E-01 7784 0.241E+01 0.190E-01 RMM: 2 -0.331761496590E+03 -0.12414E-01 -0.84368E-02 5135 0.686E-01 0.896E-01 RMM: 3 -0.331755934663E+03 0.55619E-02 -0.89087E-03 5715 0.190E-01 0.161E-01 RMM: 4 -0.331755697806E+03 0.23686E-03 -0.61704E-04 4707 0.543E-02 0.947E-02 RMM: 5 -0.331755644331E+03 0.53474E-04 -0.88602E-05 3633 0.247E-02 0.673E-02 RMM: 6 -0.331755617541E+03 0.26790E-04 -0.23361E-05 2582 0.149E-02 0.377E-02 RMM: 7 -0.331755616672E+03 0.86889E-06 -0.22269E-05 2512 0.143E-02 6192 T= 6775. E= 0.67560296E+03 F= 0.62451337E+03 E0= 0.65308596E+03 EK= 0.55168E+02 SP= -.44E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331978172798E+03 -0.22256E+00 -0.11290E-01 7880 0.240E+01 0.180E-01 RMM: 2 -0.331990339267E+03 -0.12166E-01 -0.91343E-02 4993 0.715E-01 0.814E-01 RMM: 3 -0.331985859179E+03 0.44801E-02 -0.10330E-02 5837 0.197E-01 0.164E-01 RMM: 4 -0.331985581392E+03 0.27779E-03 -0.60544E-04 4726 0.548E-02 0.920E-02 RMM: 5 -0.331985538298E+03 0.43094E-04 -0.89363E-05 3613 0.251E-02 0.735E-02 RMM: 6 -0.331985506779E+03 0.31519E-04 -0.25804E-05 2631 0.157E-02 0.369E-02 RMM: 7 -0.331985506506E+03 0.27318E-06 -0.16306E-05 2490 0.124E-02 6193 T= 6749. E= 0.67560143E+03 F= 0.62428348E+03 E0= 0.65281196E+03 EK= 0.54960E+02 SP= -.40E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332224524028E+03 -0.23902E+00 -0.11214E-01 7904 0.240E+01 0.169E-01 RMM: 2 -0.332235077804E+03 -0.10554E-01 -0.82127E-02 5121 0.663E-01 0.733E-01 RMM: 3 -0.332231202667E+03 0.38751E-02 -0.84075E-03 5891 0.181E-01 0.131E-01 RMM: 4 -0.332231026929E+03 0.17574E-03 -0.49232E-04 4623 0.491E-02 0.102E-01 RMM: 5 -0.332230963865E+03 0.63065E-04 -0.72560E-05 3496 0.240E-02 0.622E-02 RMM: 6 -0.332230942821E+03 0.21043E-04 -0.21350E-05 2547 0.141E-02 0.398E-02 RMM: 7 -0.332230939756E+03 0.30655E-05 -0.20892E-05 2510 0.139E-02 6194 T= 6724. E= 0.67559929E+03 F= 0.62403805E+03 E0= 0.65251542E+03 EK= 0.54760E+02 SP= -.36E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332455537110E+03 -0.22459E+00 -0.11899E-01 7680 0.240E+01 0.161E-01 RMM: 2 -0.332467289212E+03 -0.11752E-01 -0.98648E-02 4991 0.723E-01 0.674E-01 RMM: 3 -0.332463905769E+03 0.33834E-02 -0.10765E-02 6000 0.194E-01 0.124E-01 RMM: 4 -0.332463687241E+03 0.21853E-03 -0.52316E-04 4651 0.521E-02 0.101E-01 RMM: 5 -0.332463626663E+03 0.60577E-04 -0.75737E-05 3501 0.254E-02 0.619E-02 RMM: 6 -0.332463606570E+03 0.20093E-04 -0.23319E-05 2548 0.147E-02 0.388E-02 RMM: 7 -0.332463603820E+03 0.27509E-05 -0.20397E-05 2509 0.137E-02 6195 T= 6697. E= 0.67559655E+03 F= 0.62380539E+03 E0= 0.65222801E+03 EK= 0.54538E+02 SP= -.31E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332641279729E+03 -0.17767E+00 -0.11818E-01 7864 0.240E+01 0.161E-01 RMM: 2 -0.332652247344E+03 -0.10968E-01 -0.90316E-02 5126 0.682E-01 0.684E-01 RMM: 3 -0.332648697454E+03 0.35499E-02 -0.88591E-03 6032 0.180E-01 0.129E-01 RMM: 4 -0.332648509470E+03 0.18798E-03 -0.46205E-04 4572 0.493E-02 0.108E-01 RMM: 5 -0.332648437737E+03 0.71733E-04 -0.73208E-05 3474 0.246E-02 0.623E-02 RMM: 6 -0.332648417507E+03 0.20229E-04 -0.22312E-05 2551 0.144E-02 0.394E-02 RMM: 7 -0.332648414021E+03 0.34863E-05 -0.21291E-05 2517 0.136E-02 6196 T= 6663. E= 0.67559365E+03 F= 0.62362058E+03 E0= 0.65198863E+03 EK= 0.54263E+02 SP= -.27E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332743292702E+03 -0.94875E-01 -0.11905E-01 7984 0.240E+01 0.161E-01 RMM: 2 -0.332754727787E+03 -0.11435E-01 -0.91804E-02 5117 0.679E-01 0.695E-01 RMM: 3 -0.332750861392E+03 0.38664E-02 -0.88805E-03 5990 0.182E-01 0.139E-01 RMM: 4 -0.332750665110E+03 0.19628E-03 -0.48783E-04 4563 0.509E-02 0.101E-01 RMM: 5 -0.332750600541E+03 0.64569E-04 -0.74039E-05 3451 0.244E-02 0.605E-02 RMM: 6 -0.332750581991E+03 0.18550E-04 -0.22851E-05 2550 0.147E-02 6197 T= 6619. E= 0.67559167E+03 F= 0.62351841E+03 E0= 0.65183557E+03 EK= 0.53903E+02 SP= -.22E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332737928791E+03 0.12672E-01 -0.11983E-01 7880 0.239E+01 0.201E-01 RMM: 2 -0.332754967350E+03 -0.17039E-01 -0.96119E-02 5245 0.685E-01 0.112E+00 RMM: 3 -0.332745624436E+03 0.93429E-02 -0.91848E-03 5488 0.206E-01 0.204E-01 RMM: 4 -0.332745316517E+03 0.30792E-03 -0.77851E-04 4795 0.570E-02 0.800E-02 RMM: 5 -0.332745268715E+03 0.47802E-04 -0.85229E-05 3757 0.240E-02 0.666E-02 RMM: 6 -0.332745250565E+03 0.18150E-04 -0.21332E-05 2545 0.137E-02 6198 T= 6562. E= 0.67559111E+03 F= 0.62352374E+03 E0= 0.65179694E+03 EK= 0.53435E+02 SP= -.18E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332614258540E+03 0.13101E+00 -0.11714E-01 8064 0.238E+01 0.318E-01 RMM: 2 -0.332646553378E+03 -0.32295E-01 -0.94647E-02 5130 0.721E-01 0.186E+00 RMM: 3 -0.332621371346E+03 0.25182E-01 -0.13744E-02 5381 0.280E-01 0.289E-01 RMM: 4 -0.332620745853E+03 0.62549E-03 -0.15804E-03 4780 0.807E-02 0.822E-02 RMM: 5 -0.332620714509E+03 0.31344E-04 -0.16435E-04 4129 0.295E-02 0.813E-02 RMM: 6 -0.332620676547E+03 0.37962E-04 -0.27871E-05 2622 0.161E-02 0.489E-02 RMM: 7 -0.332620689104E+03 -0.12557E-04 -0.26700E-05 2577 0.158E-02 6199 T= 6490. E= 0.67559114E+03 F= 0.62364830E+03 E0= 0.65188725E+03 EK= 0.52851E+02 SP= -.13E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332369599196E+03 0.25108E+00 -0.11586E-01 7872 0.237E+01 0.263E-01 RMM: 2 -0.332388999153E+03 -0.19400E-01 -0.98943E-02 5071 0.713E-01 0.128E+00 RMM: 3 -0.332377156780E+03 0.11842E-01 -0.11287E-02 5401 0.241E-01 0.266E-01 RMM: 4 -0.332376768521E+03 0.38826E-03 -0.14162E-03 4770 0.828E-02 0.146E-01 RMM: 5 -0.332376740717E+03 0.27804E-04 -0.22404E-04 3893 0.373E-02 0.136E-01 RMM: 6 -0.332376617966E+03 0.12275E-03 -0.63244E-05 3391 0.239E-02 0.333E-02 RMM: 7 -0.332376617561E+03 0.40521E-06 -0.18235E-05 2516 0.130E-02 6200 T= 6404. E= 0.67559245E+03 F= 0.62389237E+03 E0= 0.65210857E+03 EK= 0.52154E+02 SP= -.87E+00 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332017222965E+03 0.35940E+00 -0.11382E-01 8104 0.235E+01 0.220E-01 RMM: 2 -0.332034840101E+03 -0.17617E-01 -0.10490E-01 5044 0.737E-01 0.112E+00 RMM: 3 -0.332025746178E+03 0.90939E-02 -0.11442E-02 5589 0.225E-01 0.169E-01 RMM: 4 -0.332025507255E+03 0.23892E-03 -0.86882E-04 4932 0.591E-02 0.940E-02 RMM: 5 -0.332025438164E+03 0.69091E-04 -0.10356E-04 3814 0.267E-02 0.680E-02 RMM: 6 -0.332025409224E+03 0.28940E-04 -0.25897E-05 2599 0.151E-02 0.405E-02 RMM: 7 -0.332025407545E+03 0.16786E-05 -0.22310E-05 2531 0.140E-02 6201 T= 6307. E= 0.67559421E+03 F= 0.62424358E+03 E0= 0.65244803E+03 EK= 0.51361E+02 SP= -.42E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331578556845E+03 0.44685E+00 -0.11790E-01 8104 0.234E+01 0.199E-01 RMM: 2 -0.331595431621E+03 -0.16875E-01 -0.11069E-01 4916 0.772E-01 0.102E+00 RMM: 3 -0.331587929402E+03 0.75022E-02 -0.12599E-02 5790 0.220E-01 0.171E-01 RMM: 4 -0.331587595165E+03 0.33424E-03 -0.76535E-04 4853 0.597E-02 0.816E-02 RMM: 5 -0.331587571672E+03 0.23493E-04 -0.10652E-04 3740 0.272E-02 0.709E-02 RMM: 6 -0.331587541640E+03 0.30032E-04 -0.24116E-05 2564 0.148E-02 0.359E-02 RMM: 7 -0.331587544247E+03 -0.26075E-05 -0.16099E-05 2494 0.127E-02 6202 T= 6201. E= 0.67559609E+03 F= 0.62468145E+03 E0= 0.65288576E+03 EK= 0.50495E+02 SP= 0.29E-01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331079410660E+03 0.50813E+00 -0.11124E-01 8144 0.232E+01 0.179E-01 RMM: 2 -0.331091487768E+03 -0.12077E-01 -0.97280E-02 5115 0.705E-01 0.736E-01 RMM: 3 -0.331087369223E+03 0.41185E-02 -0.98750E-03 5927 0.191E-01 0.139E-01 RMM: 4 -0.331087192386E+03 0.17684E-03 -0.57597E-04 4710 0.533E-02 0.122E-01 RMM: 5 -0.331087093087E+03 0.99299E-04 -0.93191E-05 3634 0.252E-02 0.662E-02 RMM: 6 -0.331087066951E+03 0.26136E-04 -0.25169E-05 2600 0.155E-02 0.330E-02 RMM: 7 -0.331087065267E+03 0.16844E-05 -0.16537E-05 2493 0.122E-02 6203 T= 6089. E= 0.67559759E+03 F= 0.62518192E+03 E0= 0.65339548E+03 EK= 0.49585E+02 SP= 0.46E+00 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330538520124E+03 0.54855E+00 -0.10668E-01 8192 0.230E+01 0.183E-01 RMM: 2 -0.330551870227E+03 -0.13350E-01 -0.91273E-02 5137 0.689E-01 0.909E-01 RMM: 3 -0.330545955204E+03 0.59150E-02 -0.93318E-03 5879 0.190E-01 0.171E-01 RMM: 4 -0.330545665617E+03 0.28959E-03 -0.58618E-04 4737 0.525E-02 0.785E-02 RMM: 5 -0.330545635653E+03 0.29963E-04 -0.84172E-05 3595 0.240E-02 0.696E-02 RMM: 6 -0.330545609396E+03 0.26257E-04 -0.23418E-05 2569 0.149E-02 0.410E-02 RMM: 7 -0.330545611519E+03 -0.21230E-05 -0.18661E-05 2516 0.129E-02 6204 T= 5975. E= 0.67559899E+03 F= 0.62572338E+03 E0= 0.65395428E+03 EK= 0.48656E+02 SP= 0.88E+00 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329977074705E+03 0.56853E+00 -0.10427E-01 8352 0.228E+01 0.175E-01 RMM: 2 -0.329987843257E+03 -0.10769E-01 -0.81327E-02 5209 0.641E-01 0.757E-01 RMM: 3 -0.329983505855E+03 0.43374E-02 -0.78409E-03 5916 0.174E-01 0.147E-01 RMM: 4 -0.329983307841E+03 0.19801E-03 -0.50923E-04 4602 0.491E-02 0.961E-02 RMM: 5 -0.329983252511E+03 0.55330E-04 -0.76135E-05 3525 0.236E-02 0.607E-02 RMM: 6 -0.329983231888E+03 0.20624E-04 -0.21477E-05 2560 0.144E-02 0.328E-02 RMM: 7 -0.329983232061E+03 -0.17366E-06 -0.12328E-05 2485 0.107E-02 6205 T= 5861. E= 0.67560019E+03 F= 0.62628576E+03 E0= 0.65453934E+03 EK= 0.47731E+02 SP= 0.13E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329411338493E+03 0.57189E+00 -0.10360E-01 8096 0.226E+01 0.169E-01 RMM: 2 -0.329422777703E+03 -0.11439E-01 -0.86613E-02 5063 0.673E-01 0.779E-01 RMM: 3 -0.329418393803E+03 0.43839E-02 -0.90524E-03 5921 0.184E-01 0.140E-01 RMM: 4 -0.329418168008E+03 0.22579E-03 -0.52567E-04 4621 0.496E-02 0.884E-02 RMM: 5 -0.329418124487E+03 0.43521E-04 -0.75365E-05 3525 0.236E-02 0.668E-02 RMM: 6 -0.329418099259E+03 0.25229E-04 -0.23136E-05 2562 0.147E-02 0.387E-02 RMM: 7 -0.329418096815E+03 0.24434E-05 -0.17037E-05 2503 0.123E-02 6206 T= 5751. E= 0.67560104E+03 F= 0.62685089E+03 E0= 0.65513097E+03 EK= 0.46832E+02 SP= 0.17E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328861663823E+03 0.55644E+00 -0.98527E-02 8112 0.225E+01 0.177E-01 RMM: 2 -0.328872823275E+03 -0.11159E-01 -0.77305E-02 5150 0.637E-01 0.823E-01 RMM: 3 -0.328867770551E+03 0.50527E-02 -0.79274E-03 5876 0.177E-01 0.161E-01 RMM: 4 -0.328867519298E+03 0.25125E-03 -0.53135E-04 4597 0.505E-02 0.811E-02 RMM: 5 -0.328867482501E+03 0.36796E-04 -0.74076E-05 3533 0.228E-02 0.622E-02 RMM: 6 -0.328867461574E+03 0.20928E-04 -0.20035E-05 2546 0.139E-02 0.347E-02 RMM: 7 -0.328867461615E+03 -0.41393E-07 -0.11827E-05 2481 0.104E-02 6207 T= 5646. E= 0.67560217E+03 F= 0.62740153E+03 E0= 0.65570980E+03 EK= 0.45979E+02 SP= 0.20E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328345117136E+03 0.52234E+00 -0.94820E-02 8064 0.223E+01 0.165E-01 RMM: 2 -0.328354932927E+03 -0.98158E-02 -0.75776E-02 5145 0.626E-01 0.714E-01 RMM: 3 -0.328351134668E+03 0.37983E-02 -0.75707E-03 5965 0.169E-01 0.131E-01 RMM: 4 -0.328350960533E+03 0.17413E-03 -0.47679E-04 4436 0.490E-02 0.100E-01 RMM: 5 -0.328350904670E+03 0.55863E-04 -0.75944E-05 3485 0.240E-02 0.649E-02 RMM: 6 -0.328350879765E+03 0.24905E-04 -0.22519E-05 2562 0.147E-02 0.324E-02 RMM: 7 -0.328350878405E+03 0.13599E-05 -0.13383E-05 2484 0.110E-02 6208 T= 5550. E= 0.67560371E+03 F= 0.62791811E+03 E0= 0.65625517E+03 EK= 0.45194E+02 SP= 0.23E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327884491369E+03 0.46639E+00 -0.93001E-02 7944 0.222E+01 0.181E-01 RMM: 2 -0.327895754041E+03 -0.11263E-01 -0.72522E-02 5139 0.620E-01 0.871E-01 RMM: 3 -0.327890184647E+03 0.55694E-02 -0.75461E-03 5800 0.175E-01 0.162E-01 RMM: 4 -0.327889943994E+03 0.24065E-03 -0.54826E-04 4582 0.518E-02 0.820E-02 RMM: 5 -0.327889905403E+03 0.38591E-04 -0.76705E-05 3588 0.226E-02 0.643E-02 RMM: 6 -0.327889882471E+03 0.22932E-04 -0.19814E-05 2547 0.138E-02 0.340E-02 RMM: 7 -0.327889881637E+03 0.83362E-06 -0.12225E-05 2482 0.106E-02 6209 T= 5465. E= 0.67560539E+03 F= 0.62837911E+03 E0= 0.65674404E+03 EK= 0.44500E+02 SP= 0.26E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327501279102E+03 0.38860E+00 -0.91233E-02 7880 0.220E+01 0.146E-01 RMM: 2 -0.327509332009E+03 -0.80529E-02 -0.65415E-02 5129 0.582E-01 0.615E-01 RMM: 3 -0.327506507742E+03 0.28243E-02 -0.65338E-03 5954 0.156E-01 0.104E-01 RMM: 4 -0.327506406104E+03 0.10164E-03 -0.37527E-04 4302 0.441E-02 0.109E-01 RMM: 5 -0.327506330928E+03 0.75176E-04 -0.62758E-05 3363 0.234E-02 0.529E-02 RMM: 6 -0.327506315462E+03 0.15466E-04 -0.19283E-05 2527 0.133E-02 6210 T= 5393. E= 0.67560681E+03 F= 0.62876267E+03 E0= 0.65715391E+03 EK= 0.43919E+02 SP= 0.28E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327212578678E+03 0.29375E+00 -0.93070E-02 7776 0.219E+01 0.129E-01 RMM: 2 -0.327220431137E+03 -0.78525E-02 -0.64530E-02 5228 0.573E-01 0.579E-01 RMM: 3 -0.327217852857E+03 0.25783E-02 -0.60536E-03 5978 0.146E-01 0.114E-01 RMM: 4 -0.327217702527E+03 0.15033E-03 -0.29572E-04 4216 0.386E-02 0.773E-02 RMM: 5 -0.327217655251E+03 0.47276E-04 -0.36757E-05 2813 0.186E-02 0.496E-02 RMM: 6 -0.327217648841E+03 0.64102E-05 -0.18936E-05 2508 0.129E-02 6211 T= 5338. E= 0.67560824E+03 F= 0.62905134E+03 E0= 0.65746651E+03 EK= 0.43471E+02 SP= 0.30E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327032821323E+03 0.18483E+00 -0.93569E-02 7768 0.218E+01 0.216E-01 RMM: 2 -0.327047129586E+03 -0.14308E-01 -0.55326E-02 5246 0.556E-01 0.121E+00 RMM: 3 -0.327036892116E+03 0.10237E-01 -0.67686E-03 5426 0.191E-01 0.186E-01 RMM: 4 -0.327036657799E+03 0.23432E-03 -0.75528E-04 4640 0.572E-02 0.760E-02 RMM: 5 -0.327036640510E+03 0.17289E-04 -0.88728E-05 3748 0.234E-02 6212 T= 5301. E= 0.67560941E+03 F= 0.62923235E+03 E0= 0.65766826E+03 EK= 0.43168E+02 SP= 0.32E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326963667040E+03 0.72991E-01 -0.93885E-02 7600 0.217E+01 0.179E-01 RMM: 2 -0.326975975543E+03 -0.12309E-01 -0.67221E-02 5128 0.600E-01 0.993E-01 RMM: 3 -0.326969079802E+03 0.68957E-02 -0.72295E-03 5506 0.185E-01 0.200E-01 RMM: 4 -0.326968786869E+03 0.29293E-03 -0.64225E-04 4688 0.530E-02 0.740E-02 RMM: 5 -0.326968752885E+03 0.33984E-04 -0.75870E-05 3585 0.229E-02 0.657E-02 RMM: 6 -0.326968729605E+03 0.23280E-04 -0.19601E-05 2531 0.134E-02 0.440E-02 RMM: 7 -0.326968728113E+03 0.14928E-05 -0.27156E-05 2583 0.150E-02 6213 T= 5282. E= 0.67561010E+03 F= 0.62930026E+03 E0= 0.65775345E+03 EK= 0.43016E+02 SP= 0.33E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327011583289E+03 -0.42854E-01 -0.91586E-02 7888 0.216E+01 0.184E-01 RMM: 2 -0.327020611735E+03 -0.90284E-02 -0.54983E-02 4945 0.567E-01 0.828E-01 RMM: 3 -0.327015813427E+03 0.47983E-02 -0.64100E-03 5554 0.173E-01 0.174E-01 RMM: 4 -0.327015648718E+03 0.16471E-03 -0.59932E-04 4624 0.537E-02 0.102E-01 RMM: 5 -0.327015628464E+03 0.20254E-04 -0.98019E-05 3678 0.251E-02 0.923E-02 RMM: 6 -0.327015572329E+03 0.56135E-04 -0.31427E-05 2937 0.179E-02 0.207E-02 RMM: 7 -0.327015572812E+03 -0.48302E-06 -0.97309E-06 2471 0.961E-03 6214 T= 5282. E= 0.67561043E+03 F= 0.62925342E+03 E0= 0.65772047E+03 EK= 0.43016E+02 SP= 0.33E+01 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327172826703E+03 -0.15725E+00 -0.92057E-02 7760 0.215E+01 0.149E-01 RMM: 2 -0.327181623186E+03 -0.87965E-02 -0.65783E-02 5034 0.606E-01 0.695E-01 RMM: 3 -0.327178320075E+03 0.33031E-02 -0.74124E-03 5890 0.163E-01 0.141E-01 RMM: 4 -0.327178101720E+03 0.21835E-03 -0.39551E-04 4450 0.451E-02 0.728E-02 RMM: 5 -0.327178052082E+03 0.49638E-04 -0.55616E-05 3266 0.210E-02 0.550E-02 RMM: 6 -0.327178037694E+03 0.14388E-04 -0.20379E-05 2516 0.136E-02 6215 T= 5301. E= 0.67561069E+03 F= 0.62909095E+03 E0= 0.65756827E+03 EK= 0.43169E+02 SP= 0.34E+01 SK= 0.27E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327451227888E+03 -0.27318E+00 -0.98338E-02 7504 0.215E+01 0.181E-01 RMM: 2 -0.327464953842E+03 -0.13726E-01 -0.81173E-02 4850 0.686E-01 0.100E+00 RMM: 3 -0.327458029475E+03 0.69244E-02 -0.10072E-02 5649 0.202E-01 0.165E-01 RMM: 4 -0.327457762263E+03 0.26721E-03 -0.68442E-04 5101 0.516E-02 0.675E-02 RMM: 5 -0.327457735310E+03 0.26953E-04 -0.76869E-05 3492 0.255E-02 0.643E-02 RMM: 6 -0.327457713871E+03 0.21439E-04 -0.25325E-05 2567 0.148E-02 0.487E-02 RMM: 7 -0.327457732703E+03 -0.18832E-04 -0.40863E-05 3016 0.186E-02 6216 T= 5339. E= 0.67561062E+03 F= 0.62881126E+03 E0= 0.65729605E+03 EK= 0.43477E+02 SP= 0.33E+01 SK= 0.65E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327854595412E+03 -0.39688E+00 -0.95475E-02 7392 0.216E+01 0.226E-01 RMM: 2 -0.327868911781E+03 -0.14316E-01 -0.75006E-02 4878 0.671E-01 0.111E+00 RMM: 3 -0.327860443653E+03 0.84681E-02 -0.93789E-03 5484 0.211E-01 0.236E-01 RMM: 4 -0.327860096940E+03 0.34671E-03 -0.10104E-03 4668 0.699E-02 0.113E-01 RMM: 5 -0.327860094208E+03 0.27325E-05 -0.16540E-04 3857 0.317E-02 6217 T= 5396. E= 0.67561111E+03 F= 0.62840890E+03 E0= 0.65689783E+03 EK= 0.43945E+02 SP= 0.32E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328383288020E+03 -0.52319E+00 -0.94116E-02 7544 0.216E+01 0.164E-01 RMM: 2 -0.328395491742E+03 -0.12204E-01 -0.85161E-02 4957 0.697E-01 0.851E-01 RMM: 3 -0.328390581714E+03 0.49100E-02 -0.99196E-03 5819 0.190E-01 0.157E-01 RMM: 4 -0.328390295791E+03 0.28592E-03 -0.56248E-04 4768 0.516E-02 0.713E-02 RMM: 5 -0.328390261441E+03 0.34350E-04 -0.76931E-05 3596 0.229E-02 0.674E-02 RMM: 6 -0.328390238286E+03 0.23155E-04 -0.23579E-05 2549 0.147E-02 0.450E-02 RMM: 7 -0.328390242027E+03 -0.37417E-05 -0.26369E-05 2580 0.148E-02 6218 T= 5474. E= 0.67561230E+03 F= 0.62787875E+03 E0= 0.65637193E+03 EK= 0.44578E+02 SP= 0.31E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329046019874E+03 -0.65578E+00 -0.98225E-02 7800 0.217E+01 0.172E-01 RMM: 2 -0.329056887973E+03 -0.10868E-01 -0.84567E-02 4846 0.699E-01 0.745E-01 RMM: 3 -0.329053009255E+03 0.38787E-02 -0.96897E-03 5812 0.188E-01 0.137E-01 RMM: 4 -0.329052804508E+03 0.20475E-03 -0.57823E-04 4771 0.528E-02 0.980E-02 RMM: 5 -0.329052753060E+03 0.51448E-04 -0.87123E-05 3644 0.246E-02 0.652E-02 RMM: 6 -0.329052728215E+03 0.24845E-04 -0.23103E-05 2557 0.148E-02 0.222E-02 RMM: 7 -0.329052730895E+03 -0.26803E-05 -0.99276E-06 2476 0.998E-03 6219 T= 5572. E= 0.67561245E+03 F= 0.62721626E+03 E0= 0.65571140E+03 EK= 0.45377E+02 SP= 0.30E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329842591125E+03 -0.78986E+00 -0.95891E-02 7776 0.219E+01 0.159E-01 RMM: 2 -0.329851883737E+03 -0.92926E-02 -0.72327E-02 5020 0.650E-01 0.705E-01 RMM: 3 -0.329848600668E+03 0.32831E-02 -0.80853E-03 5927 0.168E-01 0.135E-01 RMM: 4 -0.329848390461E+03 0.21021E-03 -0.46727E-04 4425 0.515E-02 0.102E-01 RMM: 5 -0.329848317767E+03 0.72693E-04 -0.78927E-05 3485 0.246E-02 0.587E-02 RMM: 6 -0.329848300854E+03 0.16913E-04 -0.20501E-05 2540 0.135E-02 6220 T= 5691. E= 0.67561161E+03 F= 0.62642069E+03 E0= 0.65491665E+03 EK= 0.46342E+02 SP= 0.28E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330764361466E+03 -0.91604E+00 -0.97836E-02 7776 0.221E+01 0.158E-01 RMM: 2 -0.330774571547E+03 -0.10210E-01 -0.73239E-02 4943 0.650E-01 0.768E-01 RMM: 3 -0.330770575529E+03 0.39960E-02 -0.85485E-03 5751 0.181E-01 0.142E-01 RMM: 4 -0.330770360448E+03 0.21508E-03 -0.49707E-04 4740 0.476E-02 0.755E-02 RMM: 5 -0.330770319929E+03 0.40520E-04 -0.65866E-05 3372 0.229E-02 0.566E-02 RMM: 6 -0.330770305653E+03 0.14276E-04 -0.21448E-05 2532 0.139E-02 6221 T= 5828. E= 0.67561042E+03 F= 0.62549868E+03 E0= 0.65399476E+03 EK= 0.47464E+02 SP= 0.25E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331797744105E+03 -0.10274E+01 -0.99997E-02 7624 0.224E+01 0.295E-01 RMM: 2 -0.331823594778E+03 -0.25851E-01 -0.86885E-02 4922 0.730E-01 0.167E+00 RMM: 3 -0.331804214104E+03 0.19381E-01 -0.12542E-02 5382 0.265E-01 0.254E-01 RMM: 4 -0.331803741250E+03 0.47285E-03 -0.14011E-03 4744 0.753E-02 0.804E-02 RMM: 5 -0.331803732528E+03 0.87226E-05 -0.16571E-04 3950 0.305E-02 6222 T= 5983. E= 0.67560903E+03 F= 0.62446526E+03 E0= 0.65296066E+03 EK= 0.48725E+02 SP= 0.23E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332913542353E+03 -0.11098E+01 -0.10448E-01 7816 0.227E+01 0.187E-01 RMM: 2 -0.332930303340E+03 -0.16761E-01 -0.89634E-02 4952 0.696E-01 0.112E+00 RMM: 3 -0.332921370024E+03 0.89333E-02 -0.10718E-02 5459 0.219E-01 0.213E-01 RMM: 4 -0.332921033707E+03 0.33632E-03 -0.94845E-04 4756 0.633E-02 0.867E-02 RMM: 5 -0.332920993170E+03 0.40537E-04 -0.11993E-04 3908 0.279E-02 0.715E-02 RMM: 6 -0.332920963374E+03 0.29795E-04 -0.23827E-05 2557 0.143E-02 0.447E-02 RMM: 7 -0.332920962676E+03 0.69861E-06 -0.23497E-05 2571 0.144E-02 6223 T= 6152. E= 0.67560639E+03 F= 0.62334803E+03 E0= 0.65184104E+03 EK= 0.50094E+02 SP= 0.20E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334072785857E+03 -0.11518E+01 -0.11167E-01 7800 0.231E+01 0.203E-01 RMM: 2 -0.334087241405E+03 -0.14456E-01 -0.96807E-02 4776 0.744E-01 0.955E-01 RMM: 3 -0.334080926972E+03 0.63144E-02 -0.11598E-02 5684 0.212E-01 0.177E-01 RMM: 4 -0.334080656638E+03 0.27033E-03 -0.80754E-04 4771 0.632E-02 0.112E-01 RMM: 5 -0.334080596474E+03 0.60164E-04 -0.12997E-04 3819 0.291E-02 0.774E-02 RMM: 6 -0.334080559202E+03 0.37272E-04 -0.32572E-05 2895 0.174E-02 0.250E-02 RMM: 7 -0.334080562197E+03 -0.29946E-05 -0.13338E-05 2489 0.117E-02 6224 T= 6327. E= 0.67560206E+03 F= 0.62218843E+03 E0= 0.65067842E+03 EK= 0.51524E+02 SP= 0.17E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335219518837E+03 -0.11390E+01 -0.11963E-01 8120 0.234E+01 0.135E-01 RMM: 2 -0.335230865552E+03 -0.11347E-01 -0.10400E-01 4871 0.762E-01 0.542E-01 RMM: 3 -0.335228827308E+03 0.20382E-02 -0.11773E-02 6105 0.188E-01 0.110E-01 RMM: 4 -0.335228597019E+03 0.23029E-03 -0.55165E-04 4470 0.594E-02 0.108E-01 RMM: 5 -0.335228508750E+03 0.88269E-04 -0.86373E-05 3537 0.277E-02 0.515E-02 RMM: 6 -0.335228498111E+03 0.10640E-04 -0.20889E-05 2523 0.129E-02 6225 T= 6503. E= 0.67559712E+03 F= 0.62104049E+03 E0= 0.64952584E+03 EK= 0.52955E+02 SP= 0.14E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336291328818E+03 -0.10628E+01 -0.12858E-01 7952 0.238E+01 0.147E-01 RMM: 2 -0.336305523743E+03 -0.14195E-01 -0.11158E-01 4842 0.773E-01 0.766E-01 RMM: 3 -0.336301229651E+03 0.42941E-02 -0.12537E-02 5932 0.204E-01 0.130E-01 RMM: 4 -0.336300951256E+03 0.27839E-03 -0.56430E-04 4753 0.540E-02 0.749E-02 RMM: 5 -0.336300910936E+03 0.40320E-04 -0.66333E-05 3310 0.246E-02 0.544E-02 RMM: 6 -0.336300903896E+03 0.70401E-05 -0.22169E-05 2520 0.140E-02 6226 T= 6670. E= 0.67559202E+03 F= 0.61996809E+03 E0= 0.64844833E+03 EK= 0.54319E+02 SP= 0.11E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337223772757E+03 -0.92286E+00 -0.12809E-01 7704 0.242E+01 0.249E-01 RMM: 2 -0.337244385518E+03 -0.20613E-01 -0.10521E-01 4838 0.780E-01 0.130E+00 RMM: 3 -0.337232488601E+03 0.11897E-01 -0.13344E-02 5474 0.252E-01 0.228E-01 RMM: 4 -0.337232090884E+03 0.39772E-03 -0.11843E-03 4750 0.724E-02 0.945E-02 RMM: 5 -0.337232055622E+03 0.35262E-04 -0.15591E-04 3896 0.317E-02 0.846E-02 RMM: 6 -0.337232011323E+03 0.44299E-04 -0.33690E-05 2876 0.178E-02 0.380E-02 RMM: 7 -0.337232012071E+03 -0.74804E-06 -0.15499E-05 2498 0.126E-02 6227 T= 6820. E= 0.67558700E+03 F= 0.61903698E+03 E0= 0.64751214E+03 EK= 0.55541E+02 SP= 0.85E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337952179008E+03 -0.72017E+00 -0.13227E-01 7656 0.245E+01 0.220E-01 RMM: 2 -0.337969901289E+03 -0.17722E-01 -0.10683E-01 4951 0.765E-01 0.111E+00 RMM: 3 -0.337961136138E+03 0.87652E-02 -0.12642E-02 5516 0.239E-01 0.225E-01 RMM: 4 -0.337960765132E+03 0.37101E-03 -0.10683E-03 4782 0.699E-02 0.100E-01 RMM: 5 -0.337960705072E+03 0.60060E-04 -0.14935E-04 3888 0.322E-02 0.742E-02 RMM: 6 -0.337960670083E+03 0.34990E-04 -0.30288E-05 2715 0.165E-02 0.362E-02 RMM: 7 -0.337960669386E+03 0.69681E-06 -0.18008E-05 2509 0.132E-02 6228 T= 6945. E= 0.67558310E+03 F= 0.61830832E+03 E0= 0.64677732E+03 EK= 0.56556E+02 SP= 0.58E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338428960800E+03 -0.46829E+00 -0.14037E-01 7752 0.247E+01 0.198E-01 RMM: 2 -0.338447388475E+03 -0.18428E-01 -0.12405E-01 4828 0.826E-01 0.104E+00 RMM: 3 -0.338439769090E+03 0.76194E-02 -0.14602E-02 5801 0.231E-01 0.180E-01 RMM: 4 -0.338439379029E+03 0.39006E-03 -0.80956E-04 4840 0.635E-02 0.880E-02 RMM: 5 -0.338439337177E+03 0.41852E-04 -0.11780E-04 3805 0.289E-02 0.683E-02 RMM: 6 -0.338439310678E+03 0.26499E-04 -0.29061E-05 2684 0.162E-02 0.401E-02 RMM: 7 -0.338439311658E+03 -0.98024E-06 -0.22376E-05 2526 0.144E-02 6229 T= 7037. E= 0.67558094E+03 F= 0.61782968E+03 E0= 0.64629074E+03 EK= 0.57308E+02 SP= 0.32E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338633623817E+03 -0.19431E+00 -0.13997E-01 7808 0.249E+01 0.153E-01 RMM: 2 -0.338646186341E+03 -0.12563E-01 -0.11823E-01 4922 0.804E-01 0.545E-01 RMM: 3 -0.338643945547E+03 0.22408E-02 -0.13418E-02 6235 0.208E-01 0.112E-01 RMM: 4 -0.338643712961E+03 0.23259E-03 -0.54218E-04 4701 0.557E-02 0.130E-01 RMM: 5 -0.338643592655E+03 0.12031E-03 -0.93382E-05 3614 0.296E-02 0.509E-02 RMM: 6 -0.338643580445E+03 0.12211E-04 -0.22042E-05 2540 0.136E-02 6230 T= 7094. E= 0.67558041E+03 F= 0.61762541E+03 E0= 0.64607683E+03 EK= 0.57768E+02 SP= 0.86E-01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338563343147E+03 0.80250E-01 -0.14472E-01 7568 0.250E+01 0.168E-01 RMM: 2 -0.338580753033E+03 -0.17410E-01 -0.14008E-01 4795 0.881E-01 0.833E-01 RMM: 3 -0.338575647511E+03 0.51055E-02 -0.15817E-02 6044 0.232E-01 0.155E-01 RMM: 4 -0.338575252835E+03 0.39468E-03 -0.67078E-04 4824 0.612E-02 0.886E-02 RMM: 5 -0.338575199624E+03 0.53211E-04 -0.92269E-05 3734 0.276E-02 0.632E-02 RMM: 6 -0.338575183128E+03 0.16496E-04 -0.23996E-05 2548 0.145E-02 6231 T= 7114. E= 0.67558227E+03 F= 0.61769381E+03 E0= 0.64613293E+03 EK= 0.57934E+02 SP= -.13E+00 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338254501816E+03 0.32070E+00 -0.13611E-01 7384 0.251E+01 0.278E-01 RMM: 2 -0.338281606303E+03 -0.27104E-01 -0.12028E-01 4872 0.838E-01 0.157E+00 RMM: 3 -0.338264226283E+03 0.17380E-01 -0.14912E-02 5455 0.278E-01 0.260E-01 RMM: 4 -0.338263721756E+03 0.50453E-03 -0.13861E-03 4879 0.759E-02 0.929E-02 RMM: 5 -0.338263685896E+03 0.35860E-04 -0.16074E-04 3886 0.327E-02 0.848E-02 RMM: 6 -0.338263641035E+03 0.44861E-04 -0.30874E-05 2722 0.163E-02 0.523E-02 RMM: 7 -0.338263642195E+03 -0.11597E-05 -0.23228E-05 2541 0.153E-02 6232 T= 7102. E= 0.67558620E+03 F= 0.61800535E+03 E0= 0.64642879E+03 EK= 0.57834E+02 SP= -.32E+00 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337755159794E+03 0.50848E+00 -0.14022E-01 7488 0.251E+01 0.283E-01 RMM: 2 -0.337780477295E+03 -0.25318E-01 -0.14089E-01 4831 0.900E-01 0.141E+00 RMM: 3 -0.337766752314E+03 0.13725E-01 -0.17542E-02 5498 0.288E-01 0.275E-01 RMM: 4 -0.337766204719E+03 0.54760E-03 -0.16261E-03 4983 0.859E-02 0.115E-01 RMM: 5 -0.337766217461E+03 -0.12742E-04 -0.22579E-04 3973 0.338E-02 0.133E-01 RMM: 6 -0.337766098499E+03 0.11896E-03 -0.62356E-05 3375 0.230E-02 0.353E-02 RMM: 7 -0.337766097850E+03 0.64883E-06 -0.16984E-05 2520 0.125E-02 6233 T= 7064. E= 0.67559150E+03 F= 0.61850289E+03 E0= 0.64690712E+03 EK= 0.57523E+02 SP= -.48E+00 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337147219008E+03 0.61888E+00 -0.13932E-01 7440 0.250E+01 0.203E-01 RMM: 2 -0.337164994314E+03 -0.17775E-01 -0.12332E-01 4900 0.834E-01 0.102E+00 RMM: 3 -0.337157586549E+03 0.74078E-02 -0.13745E-02 5734 0.240E-01 0.178E-01 RMM: 4 -0.337157279720E+03 0.30683E-03 -0.83412E-04 4885 0.615E-02 0.102E-01 RMM: 5 -0.337157213410E+03 0.66310E-04 -0.11197E-04 3771 0.299E-02 0.725E-02 RMM: 6 -0.337157184511E+03 0.28899E-04 -0.28225E-05 2608 0.157E-02 0.533E-02 RMM: 7 -0.337157178273E+03 0.62385E-05 -0.28138E-05 2600 0.159E-02 6234 T= 7009. E= 0.67559729E+03 F= 0.61911181E+03 E0= 0.64749376E+03 EK= 0.57077E+02 SP= -.63E+00 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336509468194E+03 0.64772E+00 -0.13995E-01 7464 0.249E+01 0.203E-01 RMM: 2 -0.336526405118E+03 -0.16937E-01 -0.12007E-01 4856 0.842E-01 0.979E-01 RMM: 3 -0.336519726493E+03 0.66786E-02 -0.14118E-02 5724 0.239E-01 0.175E-01 RMM: 4 -0.336519412304E+03 0.31419E-03 -0.82812E-04 4855 0.631E-02 0.934E-02 RMM: 5 -0.336519370558E+03 0.41746E-04 -0.11282E-04 3847 0.286E-02 0.772E-02 RMM: 6 -0.336519337609E+03 0.32949E-04 -0.28645E-05 2661 0.164E-02 0.425E-02 RMM: 7 -0.336519338312E+03 -0.70319E-06 -0.16860E-05 2507 0.128E-02 6235 T= 6948. E= 0.67560267E+03 F= 0.61974965E+03 E0= 0.64810647E+03 EK= 0.56580E+02 SP= -.75E+00 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335919381109E+03 0.59996E+00 -0.13760E-01 7672 0.248E+01 0.177E-01 RMM: 2 -0.335933984072E+03 -0.14603E-01 -0.12201E-01 4820 0.846E-01 0.752E-01 RMM: 3 -0.335930014043E+03 0.39700E-02 -0.14366E-02 5964 0.225E-01 0.143E-01 RMM: 4 -0.335929720956E+03 0.29309E-03 -0.66371E-04 4764 0.614E-02 0.118E-01 RMM: 5 -0.335929631249E+03 0.89707E-04 -0.10582E-04 3706 0.298E-02 0.656E-02 RMM: 6 -0.335929609383E+03 0.21865E-04 -0.27335E-05 2570 0.157E-02 0.422E-02 RMM: 7 -0.335929603847E+03 0.55361E-05 -0.23168E-05 2530 0.144E-02 6236 T= 6890. E= 0.67560676E+03 F= 0.62033939E+03 E0= 0.64867146E+03 EK= 0.56110E+02 SP= -.86E+00 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335434709791E+03 0.49490E+00 -0.13012E-01 7648 0.247E+01 0.192E-01 RMM: 2 -0.335450480221E+03 -0.15770E-01 -0.11162E-01 4823 0.820E-01 0.944E-01 RMM: 3 -0.335444341178E+03 0.61390E-02 -0.13288E-02 5764 0.229E-01 0.163E-01 RMM: 4 -0.335444066503E+03 0.27468E-03 -0.71869E-04 4757 0.614E-02 0.977E-02 RMM: 5 -0.335444009299E+03 0.57204E-04 -0.10626E-04 3841 0.279E-02 0.729E-02 RMM: 6 -0.335443982673E+03 0.26627E-04 -0.29499E-05 2644 0.165E-02 0.439E-02 RMM: 7 -0.335443983766E+03 -0.10935E-05 -0.21646E-05 2526 0.140E-02 6237 T= 6843. E= 0.67560859E+03 F= 0.62082501E+03 E0= 0.64913451E+03 EK= 0.55725E+02 SP= -.96E+00 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335075596705E+03 0.36839E+00 -0.12907E-01 7640 0.247E+01 0.186E-01 RMM: 2 -0.335090250305E+03 -0.14654E-01 -0.11577E-01 4792 0.833E-01 0.818E-01 RMM: 3 -0.335085612605E+03 0.46377E-02 -0.13694E-02 5879 0.224E-01 0.145E-01 RMM: 4 -0.335085350467E+03 0.26214E-03 -0.68564E-04 4723 0.622E-02 0.112E-01 RMM: 5 -0.335085271424E+03 0.79043E-04 -0.10573E-04 3704 0.296E-02 0.645E-02 RMM: 6 -0.335085250412E+03 0.21012E-04 -0.27948E-05 2581 0.159E-02 0.365E-02 RMM: 7 -0.335085251075E+03 -0.66285E-06 -0.18146E-05 2507 0.132E-02 6238 T= 6809. E= 0.67560794E+03 F= 0.62118374E+03 E0= 0.64947553E+03 EK= 0.55450E+02 SP= -.10E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334825562466E+03 0.25969E+00 -0.13497E-01 7672 0.247E+01 0.175E-01 RMM: 2 -0.334841083527E+03 -0.15521E-01 -0.12778E-01 4784 0.867E-01 0.777E-01 RMM: 3 -0.334836801691E+03 0.42818E-02 -0.15085E-02 5970 0.227E-01 0.134E-01 RMM: 4 -0.334836513350E+03 0.28834E-03 -0.68499E-04 4712 0.641E-02 0.117E-01 RMM: 5 -0.334836423413E+03 0.89938E-04 -0.10387E-04 3672 0.295E-02 0.653E-02 RMM: 6 -0.334836404150E+03 0.19263E-04 -0.28046E-05 2576 0.158E-02 6239 T= 6787. E= 0.67560540E+03 F= 0.62143259E+03 E0= 0.64971353E+03 EK= 0.55270E+02 SP= -.11E+01 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334635906511E+03 0.20052E+00 -0.13670E-01 7792 0.247E+01 0.191E-01 RMM: 2 -0.334652670503E+03 -0.16764E-01 -0.12443E-01 4800 0.856E-01 0.916E-01 RMM: 3 -0.334646935590E+03 0.57349E-02 -0.15323E-02 5779 0.243E-01 0.161E-01 RMM: 4 -0.334646617425E+03 0.31817E-03 -0.78625E-04 5000 0.605E-02 0.959E-02 RMM: 5 -0.334646553925E+03 0.63500E-04 -0.98408E-05 3893 0.286E-02 0.678E-02 RMM: 6 -0.334646538388E+03 0.15537E-04 -0.24903E-05 2544 0.151E-02 6240 T= 6771. E= 0.67560150E+03 F= 0.62162245E+03 E0= 0.64990008E+03 EK= 0.55136E+02 SP= -.12E+01 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334435214958E+03 0.21134E+00 -0.13152E-01 8064 0.247E+01 0.349E-01 RMM: 2 -0.334473185238E+03 -0.37970E-01 -0.11726E-01 4917 0.853E-01 0.204E+00 RMM: 3 -0.334444065605E+03 0.29120E-01 -0.17840E-02 5383 0.323E-01 0.290E-01 RMM: 4 -0.334443457477E+03 0.60813E-03 -0.19442E-03 5099 0.873E-02 0.924E-02 RMM: 5 -0.334443412390E+03 0.45087E-04 -0.18613E-04 4152 0.313E-02 0.910E-02 RMM: 6 -0.334443367635E+03 0.44755E-04 -0.32132E-05 2749 0.172E-02 0.528E-02 RMM: 7 -0.334443375058E+03 -0.74225E-05 -0.29244E-05 2625 0.165E-02 6241 T= 6751. E= 0.67559726E+03 F= 0.62182561E+03 E0= 0.65010851E+03 EK= 0.54978E+02 SP= -.12E+01 SK= 0.36E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334142402727E+03 0.30096E+00 -0.13128E-01 8064 0.247E+01 0.304E-01 RMM: 2 -0.334172258749E+03 -0.29856E-01 -0.13576E-01 4818 0.879E-01 0.164E+00 RMM: 3 -0.334153846431E+03 0.18412E-01 -0.18953E-02 5436 0.306E-01 0.306E-01 RMM: 4 -0.334153203577E+03 0.64285E-03 -0.19820E-03 5165 0.941E-02 0.132E-01 RMM: 5 -0.334153191239E+03 0.12338E-04 -0.27710E-04 3937 0.378E-02 0.141E-01 RMM: 6 -0.334153052025E+03 0.13921E-03 -0.77486E-05 3516 0.252E-02 0.395E-02 RMM: 7 -0.334153052537E+03 -0.51253E-06 -0.21417E-05 2548 0.137E-02 6242 T= 6720. E= 0.67559391E+03 F= 0.62211594E+03 E0= 0.65041135E+03 EK= 0.54723E+02 SP= -.12E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333704595348E+03 0.44846E+00 -0.14365E-01 7800 0.246E+01 0.210E-01 RMM: 2 -0.333726363255E+03 -0.21768E-01 -0.14950E-01 4888 0.894E-01 0.111E+00 RMM: 3 -0.333717592998E+03 0.87703E-02 -0.17155E-02 5748 0.255E-01 0.200E-01 RMM: 4 -0.333717143995E+03 0.44900E-03 -0.99873E-04 4974 0.674E-02 0.928E-02 RMM: 5 -0.333717080698E+03 0.63297E-04 -0.12952E-04 4098 0.288E-02 0.744E-02 RMM: 6 -0.333717054853E+03 0.25845E-04 -0.26793E-05 2569 0.153E-02 0.558E-02 RMM: 7 -0.333717047990E+03 0.68626E-05 -0.34298E-05 2671 0.171E-02 6243 T= 6670. E= 0.67559154E+03 F= 0.62255194E+03 E0= 0.65086407E+03 EK= 0.54315E+02 SP= -.13E+01 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333088081525E+03 0.62897E+00 -0.13803E-01 7928 0.245E+01 0.199E-01 RMM: 2 -0.333105961147E+03 -0.17880E-01 -0.13778E-01 4937 0.850E-01 0.899E-01 RMM: 3 -0.333100021690E+03 0.59395E-02 -0.15474E-02 5955 0.234E-01 0.185E-01 RMM: 4 -0.333099595320E+03 0.42637E-03 -0.81653E-04 4758 0.652E-02 0.101E-01 RMM: 5 -0.333099542784E+03 0.52536E-04 -0.11990E-04 3808 0.288E-02 0.780E-02 RMM: 6 -0.333099507803E+03 0.34982E-04 -0.29331E-05 2697 0.167E-02 0.418E-02 RMM: 7 -0.333099507283E+03 0.52010E-06 -0.18561E-05 2515 0.134E-02 6244 T= 6597. E= 0.67559127E+03 F= 0.62316948E+03 E0= 0.65150229E+03 EK= 0.53720E+02 SP= -.13E+01 SK= 0.87E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332285110566E+03 0.81440E+00 -0.13491E-01 7872 0.243E+01 0.188E-01 RMM: 2 -0.332301711923E+03 -0.16601E-01 -0.13380E-01 5049 0.823E-01 0.826E-01 RMM: 3 -0.332296306456E+03 0.54055E-02 -0.13544E-02 5932 0.225E-01 0.158E-01 RMM: 4 -0.332296021836E+03 0.28462E-03 -0.72641E-04 4844 0.592E-02 0.106E-01 RMM: 5 -0.332295940257E+03 0.81579E-04 -0.10305E-04 3783 0.262E-02 0.705E-02 RMM: 6 -0.332295914606E+03 0.25651E-04 -0.26432E-05 2580 0.155E-02 0.446E-02 RMM: 7 -0.332295909091E+03 0.55148E-05 -0.31324E-05 2621 0.160E-02 6245 T= 6501. E= 0.67559356E+03 F= 0.62397308E+03 E0= 0.65232767E+03 EK= 0.52938E+02 SP= -.13E+01 SK= 0.72E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331326336202E+03 0.96958E+00 -0.13620E-01 7984 0.241E+01 0.193E-01 RMM: 2 -0.331342859859E+03 -0.16524E-01 -0.13051E-01 5015 0.826E-01 0.846E-01 RMM: 3 -0.331337406153E+03 0.54537E-02 -0.13579E-02 6008 0.222E-01 0.156E-01 RMM: 4 -0.331337090051E+03 0.31610E-03 -0.68030E-04 4745 0.599E-02 0.112E-01 RMM: 5 -0.331337013776E+03 0.76275E-04 -0.10448E-04 3687 0.277E-02 0.735E-02 RMM: 6 -0.331336983322E+03 0.30454E-04 -0.29588E-05 2698 0.167E-02 0.428E-02 RMM: 7 -0.331336985555E+03 -0.22331E-05 -0.26217E-05 2586 0.150E-02 6246 T= 6386. E= 0.67559765E+03 F= 0.62493200E+03 E0= 0.65330829E+03 EK= 0.52002E+02 SP= -.13E+01 SK= 0.90E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330274897349E+03 0.10621E+01 -0.12125E-01 7800 0.238E+01 0.224E-01 RMM: 2 -0.330291848054E+03 -0.16951E-01 -0.10907E-01 5271 0.749E-01 0.106E+00 RMM: 3 -0.330283541393E+03 0.83067E-02 -0.10235E-02 5784 0.213E-01 0.201E-01 RMM: 4 -0.330283223055E+03 0.31834E-03 -0.80301E-04 4736 0.622E-02 0.991E-02 RMM: 5 -0.330283161353E+03 0.61702E-04 -0.10844E-04 3752 0.264E-02 0.762E-02 RMM: 6 -0.330283129584E+03 0.31769E-04 -0.27382E-05 2707 0.162E-02 0.425E-02 RMM: 7 -0.330283131063E+03 -0.14795E-05 -0.21188E-05 2552 0.135E-02 6247 T= 6260. E= 0.67560355E+03 F= 0.62598586E+03 E0= 0.65438347E+03 EK= 0.50976E+02 SP= -.14E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329207964980E+03 0.10752E+01 -0.12008E-01 7848 0.235E+01 0.189E-01 RMM: 2 -0.329223508692E+03 -0.15544E-01 -0.12211E-01 5027 0.804E-01 0.828E-01 RMM: 3 -0.329218501141E+03 0.50076E-02 -0.13221E-02 5955 0.218E-01 0.160E-01 RMM: 4 -0.329218180580E+03 0.32056E-03 -0.67003E-04 4753 0.585E-02 0.111E-01 RMM: 5 -0.329218105281E+03 0.75299E-04 -0.10099E-04 3684 0.277E-02 0.723E-02 RMM: 6 -0.329218077634E+03 0.27647E-04 -0.28370E-05 2658 0.162E-02 0.469E-02 RMM: 7 -0.329218077369E+03 0.26503E-06 -0.29833E-05 2625 0.159E-02 6248 T= 6134. E= 0.67561019E+03 F= 0.62705091E+03 E0= 0.65546921E+03 EK= 0.49949E+02 SP= -.14E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328226144577E+03 0.99193E+00 -0.11220E-01 7752 0.232E+01 0.226E-01 RMM: 2 -0.328242980437E+03 -0.16836E-01 -0.99345E-02 5165 0.737E-01 0.110E+00 RMM: 3 -0.328234201660E+03 0.87788E-02 -0.10767E-02 5692 0.216E-01 0.208E-01 RMM: 4 -0.328233846074E+03 0.35559E-03 -0.85975E-04 4705 0.643E-02 0.993E-02 RMM: 5 -0.328233795853E+03 0.50221E-04 -0.11909E-04 3855 0.275E-02 0.818E-02 RMM: 6 -0.328233756955E+03 0.38898E-04 -0.28814E-05 2782 0.166E-02 0.414E-02 RMM: 7 -0.328233758560E+03 -0.16043E-05 -0.17123E-05 2515 0.127E-02 6249 T= 6019. E= 0.67561583E+03 F= 0.62803523E+03 E0= 0.65647418E+03 EK= 0.49014E+02 SP= -.14E+01 SK= 0.62E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327399173623E+03 0.83458E+00 -0.11242E-01 7920 0.230E+01 0.179E-01 RMM: 2 -0.327412317974E+03 -0.13144E-01 -0.97043E-02 5054 0.723E-01 0.827E-01 RMM: 3 -0.327407370277E+03 0.49477E-02 -0.10544E-02 5796 0.199E-01 0.156E-01 RMM: 4 -0.327407108764E+03 0.26151E-03 -0.60368E-04 4727 0.543E-02 0.972E-02 RMM: 5 -0.327407051049E+03 0.57715E-04 -0.85720E-05 3625 0.256E-02 0.664E-02 RMM: 6 -0.327407028023E+03 0.23026E-04 -0.24373E-05 2582 0.151E-02 0.437E-02 RMM: 7 -0.327407028206E+03 -0.18241E-06 -0.21393E-05 2540 0.138E-02 6250 T= 5925. E= 0.67561911E+03 F= 0.62886196E+03 E0= 0.65732104E+03 EK= 0.48250E+02 SP= -.15E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326774400577E+03 0.63263E+00 -0.10499E-01 7592 0.229E+01 0.191E-01 RMM: 2 -0.326786723807E+03 -0.12323E-01 -0.74828E-02 5132 0.642E-01 0.946E-01 RMM: 3 -0.326780309424E+03 0.64144E-02 -0.77342E-03 5637 0.186E-01 0.163E-01 RMM: 4 -0.326780116579E+03 0.19285E-03 -0.62214E-04 4655 0.545E-02 0.963E-02 RMM: 5 -0.326780066872E+03 0.49707E-04 -0.86790E-05 3613 0.245E-02 0.715E-02 RMM: 6 -0.326780035910E+03 0.30962E-04 -0.24461E-05 2627 0.156E-02 0.331E-02 RMM: 7 -0.326780036649E+03 -0.73904E-06 -0.12729E-05 2489 0.109E-02 6251 T= 5858. E= 0.67561986E+03 F= 0.62948895E+03 E0= 0.65796866E+03 EK= 0.47702E+02 SP= -.16E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326351575012E+03 0.42846E+00 -0.10061E-01 7696 0.229E+01 0.161E-01 RMM: 2 -0.326360662933E+03 -0.90879E-02 -0.67623E-02 5130 0.614E-01 0.717E-01 RMM: 3 -0.326357035288E+03 0.36276E-02 -0.68985E-03 5718 0.167E-01 0.133E-01 RMM: 4 -0.326356887503E+03 0.14779E-03 -0.44079E-04 4461 0.462E-02 0.920E-02 RMM: 5 -0.326356835085E+03 0.52417E-04 -0.64939E-05 3398 0.231E-02 0.630E-02 RMM: 6 -0.326356812791E+03 0.22294E-04 -0.22923E-05 2564 0.149E-02 0.356E-02 RMM: 7 -0.326356811322E+03 0.14697E-05 -0.16658E-05 2492 0.124E-02 6252 T= 5818. E= 0.67561879E+03 F= 0.62991218E+03 E0= 0.65841187E+03 EK= 0.47378E+02 SP= -.17E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326106956397E+03 0.24986E+00 -0.99701E-02 7528 0.230E+01 0.172E-01 RMM: 2 -0.326116598744E+03 -0.96423E-02 -0.65560E-02 5120 0.611E-01 0.795E-01 RMM: 3 -0.326112185764E+03 0.44130E-02 -0.68849E-03 5699 0.167E-01 0.142E-01 RMM: 4 -0.326112031624E+03 0.15414E-03 -0.48342E-04 4547 0.493E-02 0.967E-02 RMM: 5 -0.326111974245E+03 0.57379E-04 -0.72401E-05 3496 0.227E-02 0.625E-02 RMM: 6 -0.326111952163E+03 0.22081E-04 -0.20586E-05 2551 0.143E-02 0.318E-02 RMM: 7 -0.326111952712E+03 -0.54890E-06 -0.12519E-05 2483 0.108E-02 6253 T= 5803. E= 0.67561652E+03 F= 0.63015704E+03 E0= 0.65867666E+03 EK= 0.47254E+02 SP= -.18E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325998512708E+03 0.11344E+00 -0.10004E-01 7584 0.232E+01 0.165E-01 RMM: 2 -0.326007874106E+03 -0.93614E-02 -0.74744E-02 5050 0.652E-01 0.682E-01 RMM: 3 -0.326004667487E+03 0.32066E-02 -0.82475E-03 5816 0.174E-01 0.116E-01 RMM: 4 -0.326004534844E+03 0.13264E-03 -0.45985E-04 4517 0.478E-02 0.110E-01 RMM: 5 -0.326004455127E+03 0.79716E-04 -0.72572E-05 3481 0.238E-02 0.616E-02 RMM: 6 -0.326004435351E+03 0.19777E-04 -0.22506E-05 2543 0.144E-02 6254 T= 5807. E= 0.67561486E+03 F= 0.63026455E+03 E0= 0.65880278E+03 EK= 0.47292E+02 SP= -.20E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325990695557E+03 0.13760E-01 -0.99993E-02 7336 0.233E+01 0.201E-01 RMM: 2 -0.326003279435E+03 -0.12584E-01 -0.77589E-02 5166 0.657E-01 0.968E-01 RMM: 3 -0.325996856461E+03 0.64230E-02 -0.84895E-03 5581 0.193E-01 0.169E-01 RMM: 4 -0.325996630889E+03 0.22557E-03 -0.65396E-04 4783 0.518E-02 0.876E-02 RMM: 5 -0.325996579929E+03 0.50960E-04 -0.80546E-05 3660 0.234E-02 0.679E-02 RMM: 6 -0.325996556854E+03 0.23075E-04 -0.21677E-05 2561 0.141E-02 0.485E-02 RMM: 7 -0.325996560998E+03 -0.41439E-05 -0.26428E-05 2576 0.153E-02 6255 T= 5827. E= 0.67561357E+03 F= 0.63027243E+03 E0= 0.65882810E+03 EK= 0.47453E+02 SP= -.22E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326053931809E+03 -0.57375E-01 -0.10130E-01 7192 0.234E+01 0.219E-01 RMM: 2 -0.326066865675E+03 -0.12934E-01 -0.82971E-02 5094 0.693E-01 0.967E-01 RMM: 3 -0.326060581642E+03 0.62840E-02 -0.94478E-03 5613 0.198E-01 0.203E-01 RMM: 4 -0.326060311574E+03 0.27007E-03 -0.84898E-04 4656 0.648E-02 0.127E-01 RMM: 5 -0.326060250828E+03 0.60745E-04 -0.14735E-04 3835 0.301E-02 0.978E-02 RMM: 6 -0.326060188327E+03 0.62502E-04 -0.40328E-05 3073 0.196E-02 0.280E-02 RMM: 7 -0.326060188968E+03 -0.64170E-06 -0.13056E-05 2491 0.109E-02 6256 T= 5859. E= 0.67561270E+03 F= 0.63020880E+03 E0= 0.65877979E+03 EK= 0.47711E+02 SP= -.24E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326168011254E+03 -0.10782E+00 -0.10260E-01 7280 0.235E+01 0.208E-01 RMM: 2 -0.326182431330E+03 -0.14420E-01 -0.90295E-02 5145 0.709E-01 0.102E+00 RMM: 3 -0.326175250320E+03 0.71810E-02 -0.96204E-03 5644 0.198E-01 0.173E-01 RMM: 4 -0.326175005607E+03 0.24471E-03 -0.71994E-04 4715 0.575E-02 0.107E-01 RMM: 5 -0.326174930445E+03 0.75163E-04 -0.10804E-04 3772 0.258E-02 0.733E-02 RMM: 6 -0.326174898268E+03 0.32176E-04 -0.26615E-05 2660 0.158E-02 0.430E-02 RMM: 7 -0.326174895415E+03 0.28526E-05 -0.18992E-05 2505 0.129E-02 6257 T= 5900. E= 0.67561265E+03 F= 0.63009409E+03 E0= 0.65867899E+03 EK= 0.48043E+02 SP= -.27E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326321617915E+03 -0.14672E+00 -0.10473E-01 7688 0.236E+01 0.200E-01 RMM: 2 -0.326334138437E+03 -0.12521E-01 -0.85512E-02 5057 0.698E-01 0.904E-01 RMM: 3 -0.326328579154E+03 0.55593E-02 -0.95768E-03 5702 0.194E-01 0.149E-01 RMM: 4 -0.326328379062E+03 0.20009E-03 -0.64858E-04 4816 0.542E-02 0.106E-01 RMM: 5 -0.326328316858E+03 0.62204E-04 -0.97893E-05 3678 0.257E-02 0.672E-02 RMM: 6 -0.326328290596E+03 0.26261E-04 -0.25089E-05 2616 0.153E-02 0.344E-02 RMM: 7 -0.326328292686E+03 -0.20902E-05 -0.17009E-05 2499 0.126E-02 6258 T= 5948. E= 0.67561257E+03 F= 0.62994070E+03 E0= 0.65853853E+03 EK= 0.48437E+02 SP= -.29E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326504224651E+03 -0.17593E+00 -0.11011E-01 7512 0.236E+01 0.192E-01 RMM: 2 -0.326518485858E+03 -0.14261E-01 -0.10667E-01 4924 0.772E-01 0.876E-01 RMM: 3 -0.326513327753E+03 0.51581E-02 -0.12376E-02 5881 0.204E-01 0.160E-01 RMM: 4 -0.326513043118E+03 0.28463E-03 -0.71546E-04 4682 0.622E-02 0.127E-01 RMM: 5 -0.326512943429E+03 0.99689E-04 -0.12262E-04 3755 0.283E-02 0.746E-02 RMM: 6 -0.326512909907E+03 0.33523E-04 -0.29921E-05 2780 0.167E-02 0.347E-02 RMM: 7 -0.326512908328E+03 0.15782E-05 -0.15348E-05 2493 0.118E-02 6259 T= 6003. E= 0.67561256E+03 F= 0.62975608E+03 E0= 0.65836769E+03 EK= 0.48884E+02 SP= -.32E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326716091551E+03 -0.20318E+00 -0.10515E-01 7400 0.237E+01 0.190E-01 RMM: 2 -0.326728350452E+03 -0.12259E-01 -0.87003E-02 5042 0.702E-01 0.861E-01 RMM: 3 -0.326723341201E+03 0.50093E-02 -0.97098E-03 5782 0.190E-01 0.164E-01 RMM: 4 -0.326723069412E+03 0.27179E-03 -0.60550E-04 4685 0.547E-02 0.956E-02 RMM: 5 -0.326723017103E+03 0.52308E-04 -0.94463E-05 3634 0.254E-02 0.672E-02 RMM: 6 -0.326722991898E+03 0.25206E-04 -0.25046E-05 2592 0.152E-02 0.377E-02 RMM: 7 -0.326722993325E+03 -0.14277E-05 -0.21908E-05 2518 0.139E-02 6260 T= 6063. E= 0.67561242E+03 F= 0.62954600E+03 E0= 0.65817341E+03 EK= 0.49377E+02 SP= -.35E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326945376826E+03 -0.22238E+00 -0.10507E-01 7624 0.237E+01 0.193E-01 RMM: 2 -0.326958764914E+03 -0.13388E-01 -0.95760E-02 4979 0.731E-01 0.889E-01 RMM: 3 -0.326953476697E+03 0.52882E-02 -0.10991E-02 5822 0.196E-01 0.168E-01 RMM: 4 -0.326953200367E+03 0.27633E-03 -0.69694E-04 4668 0.604E-02 0.113E-01 RMM: 5 -0.326953129922E+03 0.70445E-04 -0.11153E-04 3693 0.270E-02 0.741E-02 RMM: 6 -0.326953097805E+03 0.32117E-04 -0.27916E-05 2729 0.162E-02 0.327E-02 RMM: 7 -0.326953098432E+03 -0.62652E-06 -0.14078E-05 2495 0.114E-02 6261 T= 6129. E= 0.67561217E+03 F= 0.62931589E+03 E0= 0.65796310E+03 EK= 0.49908E+02 SP= -.38E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327190099210E+03 -0.23700E+00 -0.11185E-01 7536 0.237E+01 0.182E-01 RMM: 2 -0.327203232463E+03 -0.13133E-01 -0.10093E-01 4923 0.745E-01 0.801E-01 RMM: 3 -0.327198735165E+03 0.44973E-02 -0.11645E-02 5860 0.202E-01 0.160E-01 RMM: 4 -0.327198424358E+03 0.31081E-03 -0.63307E-04 4761 0.563E-02 0.938E-02 RMM: 5 -0.327198378507E+03 0.45851E-04 -0.98655E-05 3651 0.268E-02 0.695E-02 RMM: 6 -0.327198349949E+03 0.28558E-04 -0.26190E-05 2607 0.155E-02 0.366E-02 RMM: 7 -0.327198351137E+03 -0.11883E-05 -0.19562E-05 2508 0.134E-02 6262 T= 6198. E= 0.67561236E+03 F= 0.62907064E+03 E0= 0.65774199E+03 EK= 0.50471E+02 SP= -.42E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327448968870E+03 -0.25062E+00 -0.11238E-01 7552 0.237E+01 0.183E-01 RMM: 2 -0.327462014602E+03 -0.13046E-01 -0.91581E-02 4977 0.706E-01 0.882E-01 RMM: 3 -0.327456695380E+03 0.53192E-02 -0.10458E-02 5777 0.195E-01 0.164E-01 RMM: 4 -0.327456429491E+03 0.26589E-03 -0.63914E-04 4694 0.563E-02 0.935E-02 RMM: 5 -0.327456384631E+03 0.44860E-04 -0.94196E-05 3660 0.254E-02 0.706E-02 RMM: 6 -0.327456356235E+03 0.28396E-04 -0.25343E-05 2591 0.154E-02 0.343E-02 RMM: 7 -0.327456358693E+03 -0.24576E-05 -0.14698E-05 2499 0.117E-02 6263 T= 6270. E= 0.67561231E+03 F= 0.62881263E+03 E0= 0.65751274E+03 EK= 0.51061E+02 SP= -.45E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327716732011E+03 -0.26038E+00 -0.11687E-01 7720 0.238E+01 0.168E-01 RMM: 2 -0.327728416591E+03 -0.11685E-01 -0.89863E-02 4907 0.698E-01 0.752E-01 RMM: 3 -0.327724349246E+03 0.40673E-02 -0.10171E-02 5770 0.197E-01 0.157E-01 RMM: 4 -0.327724109554E+03 0.23969E-03 -0.57550E-04 4721 0.529E-02 0.906E-02 RMM: 5 -0.327724068880E+03 0.40674E-04 -0.90183E-05 3614 0.261E-02 0.707E-02 RMM: 6 -0.327724038786E+03 0.30094E-04 -0.26701E-05 2639 0.158E-02 0.356E-02 RMM: 7 -0.327724040014E+03 -0.12281E-05 -0.20470E-05 2511 0.138E-02 6264 T= 6345. E= 0.67561184E+03 F= 0.62854495E+03 E0= 0.65727690E+03 EK= 0.51674E+02 SP= -.49E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327988905635E+03 -0.26487E+00 -0.11998E-01 7704 0.238E+01 0.154E-01 RMM: 2 -0.328000220501E+03 -0.11315E-01 -0.89919E-02 4897 0.699E-01 0.722E-01 RMM: 3 -0.327996591838E+03 0.36287E-02 -0.10083E-02 5892 0.191E-01 0.141E-01 RMM: 4 -0.327996378957E+03 0.21288E-03 -0.51289E-04 4582 0.522E-02 0.951E-02 RMM: 5 -0.327996322369E+03 0.56589E-04 -0.76948E-05 3503 0.247E-02 0.607E-02 RMM: 6 -0.327996304399E+03 0.17970E-04 -0.23533E-05 2545 0.148E-02 6265 T= 6422. E= 0.67561148E+03 F= 0.62827268E+03 E0= 0.65703766E+03 EK= 0.52301E+02 SP= -.52E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328259687426E+03 -0.26337E+00 -0.12328E-01 7856 0.239E+01 0.194E-01 RMM: 2 -0.328274926576E+03 -0.15239E-01 -0.88191E-02 4955 0.681E-01 0.105E+00 RMM: 3 -0.328266970643E+03 0.79559E-02 -0.97805E-03 5558 0.210E-01 0.181E-01 RMM: 4 -0.328266720007E+03 0.25064E-03 -0.72264E-04 4747 0.558E-02 0.755E-02 RMM: 5 -0.328266685199E+03 0.34808E-04 -0.85275E-05 3815 0.237E-02 0.663E-02 RMM: 6 -0.328266667600E+03 0.17599E-04 -0.22412E-05 2543 0.142E-02 6266 T= 6500. E= 0.67561097E+03 F= 0.62800232E+03 E0= 0.65679966E+03 EK= 0.52933E+02 SP= -.56E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328519006031E+03 -0.25232E+00 -0.12364E-01 7696 0.239E+01 0.289E-01 RMM: 2 -0.328545840473E+03 -0.26834E-01 -0.89533E-02 4974 0.714E-01 0.169E+00 RMM: 3 -0.328525952619E+03 0.19888E-01 -0.13332E-02 5385 0.274E-01 0.272E-01 RMM: 4 -0.328525438005E+03 0.51461E-03 -0.14512E-03 4835 0.764E-02 0.811E-02 RMM: 5 -0.328525416479E+03 0.21526E-04 -0.15157E-04 4024 0.296E-02 0.870E-02 RMM: 6 -0.328525374267E+03 0.42212E-04 -0.28992E-05 2676 0.165E-02 0.461E-02 RMM: 7 -0.328525378689E+03 -0.44225E-05 -0.20027E-05 2519 0.142E-02 6267 T= 6577. E= 0.67561064E+03 F= 0.62774361E+03 E0= 0.65657002E+03 EK= 0.53558E+02 SP= -.60E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328753214887E+03 -0.22784E+00 -0.12412E-01 7824 0.240E+01 0.282E-01 RMM: 2 -0.328778975046E+03 -0.25760E-01 -0.98692E-02 4931 0.739E-01 0.161E+00 RMM: 3 -0.328760969754E+03 0.18005E-01 -0.13183E-02 5425 0.263E-01 0.254E-01 RMM: 4 -0.328760558104E+03 0.41165E-03 -0.14822E-03 4771 0.819E-02 0.132E-01 RMM: 5 -0.328760575616E+03 -0.17513E-04 -0.22855E-04 3891 0.380E-02 0.141E-01 RMM: 6 -0.328760439145E+03 0.13647E-03 -0.70425E-05 3457 0.247E-02 0.322E-02 RMM: 7 -0.328760437451E+03 0.16941E-05 -0.16890E-05 2520 0.127E-02 6268 T= 6651. E= 0.67561030E+03 F= 0.62750855E+03 E0= 0.65635828E+03 EK= 0.54160E+02 SP= -.63E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328946462548E+03 -0.18602E+00 -0.12765E-01 7744 0.241E+01 0.231E-01 RMM: 2 -0.328967128605E+03 -0.20666E-01 -0.11574E-01 4923 0.795E-01 0.127E+00 RMM: 3 -0.328956057532E+03 0.11071E-01 -0.13668E-02 5636 0.243E-01 0.185E-01 RMM: 4 -0.328955760320E+03 0.29721E-03 -0.99463E-04 4814 0.651E-02 0.101E-01 RMM: 5 -0.328955697149E+03 0.63171E-04 -0.12797E-04 3932 0.282E-02 0.759E-02 RMM: 6 -0.328955664163E+03 0.32986E-04 -0.28400E-05 2647 0.160E-02 0.413E-02 RMM: 7 -0.328955663965E+03 0.19763E-06 -0.17134E-05 2506 0.128E-02 6269 T= 6720. E= 0.67560960E+03 F= 0.62731333E+03 E0= 0.65617972E+03 EK= 0.54720E+02 SP= -.67E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329081237994E+03 -0.12557E+00 -0.12959E-01 7888 0.242E+01 0.187E-01 RMM: 2 -0.329097852038E+03 -0.16614E-01 -0.11998E-01 4828 0.814E-01 0.940E-01 RMM: 3 -0.329091753845E+03 0.60982E-02 -0.14285E-02 5940 0.224E-01 0.167E-01 RMM: 4 -0.329091393395E+03 0.36045E-03 -0.72661E-04 4747 0.610E-02 0.977E-02 RMM: 5 -0.329091344525E+03 0.48871E-04 -0.10870E-04 3776 0.277E-02 0.695E-02 RMM: 6 -0.329091318202E+03 0.26323E-04 -0.25637E-05 2572 0.153E-02 0.373E-02 RMM: 7 -0.329091320202E+03 -0.20002E-05 -0.16352E-05 2499 0.127E-02 6270 T= 6780. E= 0.67560886E+03 F= 0.62717767E+03 E0= 0.65605291E+03 EK= 0.55216E+02 SP= -.70E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329134812262E+03 -0.43494E-01 -0.14209E-01 7784 0.243E+01 0.173E-01 RMM: 2 -0.329152327811E+03 -0.17516E-01 -0.15366E-01 4747 0.924E-01 0.730E-01 RMM: 3 -0.329148454956E+03 0.38729E-02 -0.17873E-02 6170 0.235E-01 0.128E-01 RMM: 4 -0.329148098285E+03 0.35667E-03 -0.76079E-04 4766 0.676E-02 0.137E-01 RMM: 5 -0.329147979705E+03 0.11858E-03 -0.12393E-04 3748 0.313E-02 0.663E-02 RMM: 6 -0.329147956238E+03 0.23467E-04 -0.28700E-05 2643 0.159E-02 0.354E-02 RMM: 7 -0.329147954189E+03 0.20491E-05 -0.17439E-05 2500 0.130E-02 6271 T= 6831. E= 0.67560796E+03 F= 0.62712104E+03 E0= 0.65599770E+03 EK= 0.55624E+02 SP= -.74E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329098707781E+03 0.49248E-01 -0.13090E-01 7760 0.244E+01 0.183E-01 RMM: 2 -0.329113929663E+03 -0.15222E-01 -0.11824E-01 4972 0.803E-01 0.846E-01 RMM: 3 -0.329108906897E+03 0.50228E-02 -0.13197E-02 6000 0.213E-01 0.162E-01 RMM: 4 -0.329108554410E+03 0.35249E-03 -0.64120E-04 4739 0.582E-02 0.104E-01 RMM: 5 -0.329108488966E+03 0.65444E-04 -0.98405E-05 3664 0.264E-02 0.714E-02 RMM: 6 -0.329108464065E+03 0.24901E-04 -0.26085E-05 2584 0.156E-02 0.433E-02 RMM: 7 -0.329108465740E+03 -0.16751E-05 -0.20290E-05 2528 0.132E-02 6272 T= 6868. E= 0.67560740E+03 F= 0.62716052E+03 E0= 0.65603036E+03 EK= 0.55925E+02 SP= -.77E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328953271579E+03 0.15519E+00 -0.12803E-01 7904 0.245E+01 0.180E-01 RMM: 2 -0.328967243371E+03 -0.13972E-01 -0.11647E-01 4966 0.790E-01 0.750E-01 RMM: 3 -0.328963220972E+03 0.40224E-02 -0.12708E-02 6024 0.208E-01 0.143E-01 RMM: 4 -0.328962956559E+03 0.26441E-03 -0.62399E-04 4726 0.578E-02 0.124E-01 RMM: 5 -0.328962859475E+03 0.97085E-04 -0.10088E-04 3635 0.269E-02 0.675E-02 RMM: 6 -0.328962836378E+03 0.23097E-04 -0.24886E-05 2572 0.152E-02 0.339E-02 RMM: 7 -0.328962837486E+03 -0.11083E-05 -0.14787E-05 2495 0.116E-02 6273 T= 6890. E= 0.67560737E+03 F= 0.62730615E+03 E0= 0.65616205E+03 EK= 0.56108E+02 SP= -.80E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328699655016E+03 0.26318E+00 -0.12816E-01 7752 0.245E+01 0.177E-01 RMM: 2 -0.328713483859E+03 -0.13829E-01 -0.11457E-01 5051 0.786E-01 0.756E-01 RMM: 3 -0.328709485315E+03 0.39985E-02 -0.12415E-02 6023 0.202E-01 0.146E-01 RMM: 4 -0.328709187634E+03 0.29768E-03 -0.59979E-04 4646 0.574E-02 0.121E-01 RMM: 5 -0.328709098403E+03 0.89232E-04 -0.10142E-04 3663 0.270E-02 0.724E-02 RMM: 6 -0.328709071391E+03 0.27012E-04 -0.26052E-05 2604 0.157E-02 0.412E-02 RMM: 7 -0.328709068927E+03 0.24637E-05 -0.18778E-05 2514 0.126E-02 6274 T= 6897. E= 0.67560792E+03 F= 0.62755992E+03 E0= 0.65639375E+03 EK= 0.56167E+02 SP= -.83E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328342775418E+03 0.36630E+00 -0.12503E-01 7816 0.246E+01 0.184E-01 RMM: 2 -0.328356222893E+03 -0.13447E-01 -0.10605E-01 5021 0.769E-01 0.802E-01 RMM: 3 -0.328351772066E+03 0.44508E-02 -0.11607E-02 5939 0.205E-01 0.150E-01 RMM: 4 -0.328351501299E+03 0.27077E-03 -0.61054E-04 4820 0.550E-02 0.103E-01 RMM: 5 -0.328351439099E+03 0.62200E-04 -0.91740E-05 3668 0.252E-02 0.714E-02 RMM: 6 -0.328351412570E+03 0.26529E-04 -0.24522E-05 2575 0.152E-02 0.376E-02 RMM: 7 -0.328351414106E+03 -0.15356E-05 -0.17580E-05 2510 0.127E-02 6275 T= 6890. E= 0.67560915E+03 F= 0.62791758E+03 E0= 0.65672237E+03 EK= 0.56107E+02 SP= -.86E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327892916158E+03 0.45850E+00 -0.11753E-01 7816 0.246E+01 0.179E-01 RMM: 2 -0.327904436205E+03 -0.11520E-01 -0.92978E-02 5163 0.717E-01 0.748E-01 RMM: 3 -0.327900667048E+03 0.37692E-02 -0.95836E-03 5932 0.186E-01 0.137E-01 RMM: 4 -0.327900494035E+03 0.17301E-03 -0.55035E-04 4619 0.537E-02 0.129E-01 RMM: 5 -0.327900390282E+03 0.10375E-03 -0.95937E-05 3621 0.252E-02 0.725E-02 RMM: 6 -0.327900361999E+03 0.28283E-04 -0.25739E-05 2630 0.159E-02 0.361E-02 RMM: 7 -0.327900361615E+03 0.38420E-06 -0.16846E-05 2502 0.121E-02 6276 T= 6869. E= 0.67561090E+03 F= 0.62836863E+03 E0= 0.65713723E+03 EK= 0.55938E+02 SP= -.88E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327364760490E+03 0.53560E+00 -0.11860E-01 7704 0.245E+01 0.176E-01 RMM: 2 -0.327376387310E+03 -0.11627E-01 -0.90013E-02 5156 0.707E-01 0.776E-01 RMM: 3 -0.327372314842E+03 0.40725E-02 -0.93002E-03 5939 0.182E-01 0.153E-01 RMM: 4 -0.327372074221E+03 0.24062E-03 -0.51177E-04 4612 0.521E-02 0.105E-01 RMM: 5 -0.327372007615E+03 0.66606E-04 -0.84695E-05 3543 0.244E-02 0.691E-02 RMM: 6 -0.327371982934E+03 0.24681E-04 -0.24260E-05 2591 0.153E-02 0.379E-02 RMM: 7 -0.327371983885E+03 -0.95113E-06 -0.21137E-05 2511 0.138E-02 6277 T= 6837. E= 0.67561225E+03 F= 0.62889701E+03 E0= 0.65762436E+03 EK= 0.55676E+02 SP= -.91E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326771951250E+03 0.60003E+00 -0.11458E-01 7528 0.245E+01 0.176E-01 RMM: 2 -0.326782614532E+03 -0.10663E-01 -0.86506E-02 5098 0.709E-01 0.723E-01 RMM: 3 -0.326779140336E+03 0.34742E-02 -0.93177E-03 5910 0.186E-01 0.121E-01 RMM: 4 -0.326779006551E+03 0.13379E-03 -0.53041E-04 4614 0.529E-02 0.126E-01 RMM: 5 -0.326778907350E+03 0.99200E-04 -0.87515E-05 3550 0.247E-02 0.687E-02 RMM: 6 -0.326778882328E+03 0.25022E-04 -0.24077E-05 2565 0.152E-02 0.341E-02 RMM: 7 -0.326778881464E+03 0.86423E-06 -0.17192E-05 2493 0.128E-02 6278 T= 6795. E= 0.67561286E+03 F= 0.62949011E+03 E0= 0.65817299E+03 EK= 0.55333E+02 SP= -.93E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326118831827E+03 0.66005E+00 -0.11565E-01 7760 0.244E+01 0.162E-01 RMM: 2 -0.326129780691E+03 -0.10949E-01 -0.88408E-02 5030 0.721E-01 0.709E-01 RMM: 3 -0.326126412186E+03 0.33685E-02 -0.96279E-03 5976 0.184E-01 0.148E-01 RMM: 4 -0.326126160306E+03 0.25188E-03 -0.47999E-04 4515 0.534E-02 0.101E-01 RMM: 5 -0.326126097653E+03 0.62652E-04 -0.79811E-05 3473 0.251E-02 0.645E-02 RMM: 6 -0.326126077775E+03 0.19878E-04 -0.23105E-05 2564 0.149E-02 6279 T= 6744. E= 0.67561421E+03 F= 0.63014291E+03 E0= 0.65878081E+03 EK= 0.54917E+02 SP= -.95E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325409532361E+03 0.71657E+00 -0.11689E-01 7456 0.243E+01 0.202E-01 RMM: 2 -0.325425441476E+03 -0.15909E-01 -0.93597E-02 4996 0.740E-01 0.108E+00 RMM: 3 -0.325417404834E+03 0.80366E-02 -0.10637E-02 5525 0.217E-01 0.174E-01 RMM: 4 -0.325417164800E+03 0.24003E-03 -0.75917E-04 4790 0.580E-02 0.826E-02 RMM: 5 -0.325417121412E+03 0.43388E-04 -0.95002E-05 3799 0.261E-02 0.658E-02 RMM: 6 -0.325417101690E+03 0.19722E-04 -0.22466E-05 2555 0.140E-02 6280 T= 6684. E= 0.67561534E+03 F= 0.63085189E+03 E0= 0.65944657E+03 EK= 0.54433E+02 SP= -.98E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324646135648E+03 0.77099E+00 -0.11227E-01 7336 0.243E+01 0.292E-01 RMM: 2 -0.324674347109E+03 -0.28211E-01 -0.87369E-02 5021 0.745E-01 0.175E+00 RMM: 3 -0.324652921434E+03 0.21426E-01 -0.12581E-02 5357 0.270E-01 0.277E-01 RMM: 4 -0.324652356813E+03 0.56462E-03 -0.13612E-03 4726 0.772E-02 0.912E-02 RMM: 5 -0.324652341779E+03 0.15033E-04 -0.16263E-04 3909 0.319E-02 6281 T= 6617. E= 0.67561780E+03 F= 0.63161665E+03 E0= 0.66017159E+03 EK= 0.53886E+02 SP= -.10E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323833595202E+03 0.81876E+00 -0.11452E-01 7456 0.242E+01 0.201E-01 RMM: 2 -0.323849943138E+03 -0.16348E-01 -0.89177E-02 5028 0.711E-01 0.110E+00 RMM: 3 -0.323841266814E+03 0.86763E-02 -0.98424E-03 5415 0.220E-01 0.255E-01 RMM: 4 -0.323840821182E+03 0.44563E-03 -0.90574E-04 4711 0.648E-02 0.859E-02 RMM: 5 -0.323840784496E+03 0.36686E-04 -0.11211E-04 3875 0.275E-02 0.770E-02 RMM: 6 -0.323840756284E+03 0.28212E-04 -0.25502E-05 2581 0.151E-02 0.552E-02 RMM: 7 -0.323840774853E+03 -0.18569E-04 -0.38573E-05 2932 0.173E-02 6282 T= 6543. E= 0.67562039E+03 F= 0.63242821E+03 E0= 0.66094691E+03 EK= 0.53285E+02 SP= -.10E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322995838022E+03 0.84492E+00 -0.11852E-01 7512 0.241E+01 0.259E-01 RMM: 2 -0.323010827025E+03 -0.14989E-01 -0.87098E-02 4805 0.742E-01 0.110E+00 RMM: 3 -0.323002609935E+03 0.82171E-02 -0.11052E-02 5466 0.234E-01 0.209E-01 RMM: 4 -0.323002453197E+03 0.15674E-03 -0.10499E-03 4694 0.725E-02 0.174E-01 RMM: 5 -0.323002365153E+03 0.88044E-04 -0.21276E-04 3905 0.378E-02 0.133E-01 RMM: 6 -0.323002253505E+03 0.11165E-03 -0.76898E-05 3478 0.259E-02 0.288E-02 RMM: 7 -0.323002261357E+03 -0.78521E-05 -0.17366E-05 2532 0.131E-02 6283 T= 6466. E= 0.67562378E+03 F= 0.63326673E+03 E0= 0.66175320E+03 EK= 0.52654E+02 SP= -.10E+02 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322165168543E+03 0.83708E+00 -0.11895E-01 7704 0.239E+01 0.150E-01 RMM: 2 -0.322176704233E+03 -0.11536E-01 -0.98932E-02 4890 0.757E-01 0.634E-01 RMM: 3 -0.322173871763E+03 0.28325E-02 -0.11126E-02 5935 0.199E-01 0.114E-01 RMM: 4 -0.322173678527E+03 0.19324E-03 -0.48465E-04 4553 0.536E-02 0.114E-01 RMM: 5 -0.322173584213E+03 0.94314E-04 -0.81806E-05 3519 0.279E-02 0.538E-02 RMM: 6 -0.322173571719E+03 0.12493E-04 -0.25669E-05 2556 0.146E-02 6284 T= 6390. E= 0.67562887E+03 F= 0.63409542E+03 E0= 0.66255168E+03 EK= 0.52034E+02 SP= -.11E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321402895875E+03 0.77069E+00 -0.12707E-01 7600 0.237E+01 0.232E-01 RMM: 2 -0.321423571523E+03 -0.20676E-01 -0.11711E-01 4701 0.851E-01 0.124E+00 RMM: 3 -0.321412882071E+03 0.10689E-01 -0.15056E-02 5484 0.264E-01 0.208E-01 RMM: 4 -0.321412519884E+03 0.36219E-03 -0.10932E-03 4852 0.693E-02 0.820E-02 RMM: 5 -0.321412504465E+03 0.15419E-04 -0.14560E-04 3986 0.318E-02 6285 T= 6322. E= 0.67563516E+03 F= 0.63485648E+03 E0= 0.66328421E+03 EK= 0.51484E+02 SP= -.11E+02 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320783957554E+03 0.62856E+00 -0.11514E-01 7608 0.236E+01 0.189E-01 RMM: 2 -0.320799032072E+03 -0.15075E-01 -0.92125E-02 5020 0.724E-01 0.101E+00 RMM: 3 -0.320791687449E+03 0.73446E-02 -0.98448E-03 5473 0.212E-01 0.192E-01 RMM: 4 -0.320791436135E+03 0.25131E-03 -0.76765E-04 4680 0.612E-02 0.104E-01 RMM: 5 -0.320791369854E+03 0.66280E-04 -0.10316E-04 3795 0.258E-02 0.810E-02 RMM: 6 -0.320791341590E+03 0.28264E-04 -0.28615E-05 2639 0.165E-02 0.570E-02 RMM: 7 -0.320791361563E+03 -0.19972E-04 -0.67279E-05 3527 0.203E-02 6286 T= 6272. E= 0.67564200E+03 F= 0.63547763E+03 E0= 0.66387703E+03 EK= 0.51079E+02 SP= -.11E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320380252319E+03 0.41109E+00 -0.11826E-01 7696 0.236E+01 0.242E-01 RMM: 2 -0.320394910449E+03 -0.14658E-01 -0.10702E-01 4807 0.799E-01 0.917E-01 RMM: 3 -0.320388954782E+03 0.59557E-02 -0.12877E-02 5631 0.231E-01 0.191E-01 RMM: 4 -0.320388876581E+03 0.78201E-04 -0.10378E-03 4754 0.745E-02 0.205E-01 RMM: 5 -0.320388673746E+03 0.20284E-03 -0.20968E-04 3890 0.362E-02 0.116E-01 RMM: 6 -0.320388587906E+03 0.85840E-04 -0.70821E-05 3443 0.248E-02 0.331E-02 RMM: 7 -0.320388604828E+03 -0.16922E-04 -0.23555E-05 2574 0.148E-02 6287 T= 6250. E= 0.67564721E+03 F= 0.63588038E+03 E0= 0.66425173E+03 EK= 0.50898E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320262169145E+03 0.12642E+00 -0.11722E-01 7752 0.236E+01 0.176E-01 RMM: 2 -0.320275070327E+03 -0.12901E-01 -0.91444E-02 5141 0.727E-01 0.873E-01 RMM: 3 -0.320269763743E+03 0.53066E-02 -0.89588E-03 5740 0.188E-01 0.166E-01 RMM: 4 -0.320269512463E+03 0.25128E-03 -0.55272E-04 4659 0.544E-02 0.930E-02 RMM: 5 -0.320269438203E+03 0.74260E-04 -0.83860E-05 3611 0.238E-02 0.660E-02 RMM: 6 -0.320269417452E+03 0.20751E-04 -0.24910E-05 2559 0.151E-02 0.472E-02 RMM: 7 -0.320269409247E+03 0.82052E-05 -0.39272E-05 2693 0.169E-02 6288 T= 6264. E= 0.67564983E+03 F= 0.63599958E+03 E0= 0.66434449E+03 EK= 0.51008E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320465018326E+03 -0.19560E+00 -0.12015E-01 7792 0.237E+01 0.176E-01 RMM: 2 -0.320476097372E+03 -0.11079E-01 -0.84695E-02 5046 0.712E-01 0.756E-01 RMM: 3 -0.320472052281E+03 0.40451E-02 -0.91779E-03 5722 0.193E-01 0.136E-01 RMM: 4 -0.320471875192E+03 0.17709E-03 -0.53567E-04 4635 0.507E-02 0.891E-02 RMM: 5 -0.320471834889E+03 0.40303E-04 -0.76675E-05 3543 0.243E-02 0.702E-02 RMM: 6 -0.320471807922E+03 0.26967E-04 -0.25319E-05 2596 0.155E-02 0.401E-02 RMM: 7 -0.320471812076E+03 -0.41540E-05 -0.27359E-05 2555 0.160E-02 6289 T= 6317. E= 0.67564945E+03 F= 0.63579718E+03 E0= 0.66411737E+03 EK= 0.51445E+02 SP= -.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320990672774E+03 -0.51886E+00 -0.12418E-01 7952 0.239E+01 0.189E-01 RMM: 2 -0.321002018427E+03 -0.11346E-01 -0.86557E-02 5183 0.712E-01 0.801E-01 RMM: 3 -0.320997636524E+03 0.43819E-02 -0.84284E-03 5791 0.183E-01 0.171E-01 RMM: 4 -0.320997418417E+03 0.21811E-03 -0.61421E-04 4648 0.578E-02 0.124E-01 RMM: 5 -0.320997316632E+03 0.10178E-03 -0.11270E-04 3770 0.278E-02 0.703E-02 RMM: 6 -0.320997287500E+03 0.29132E-04 -0.26342E-05 2704 0.160E-02 0.369E-02 RMM: 7 -0.320997285949E+03 0.15504E-05 -0.18873E-05 2508 0.127E-02 6290 T= 6412. E= 0.67564591E+03 F= 0.63527170E+03 E0= 0.66357132E+03 EK= 0.52213E+02 SP= -.12E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321797033140E+03 -0.79975E+00 -0.12683E-01 7912 0.242E+01 0.183E-01 RMM: 2 -0.321808858464E+03 -0.11825E-01 -0.90333E-02 5166 0.720E-01 0.793E-01 RMM: 3 -0.321804509538E+03 0.43489E-02 -0.90250E-03 5825 0.184E-01 0.144E-01 RMM: 4 -0.321804298702E+03 0.21084E-03 -0.53216E-04 4619 0.527E-02 0.114E-01 RMM: 5 -0.321804220921E+03 0.77780E-04 -0.95432E-05 3702 0.273E-02 0.674E-02 RMM: 6 -0.321804196895E+03 0.24026E-04 -0.27125E-05 2696 0.156E-02 0.485E-02 RMM: 7 -0.321804193522E+03 0.33733E-05 -0.31892E-05 2585 0.167E-02 6291 T= 6541. E= 0.67563990E+03 F= 0.63446480E+03 E0= 0.66274879E+03 EK= 0.53267E+02 SP= -.12E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322803948045E+03 -0.99975E+00 -0.13069E-01 7968 0.246E+01 0.204E-01 RMM: 2 -0.322817419101E+03 -0.13471E-01 -0.10380E-01 5081 0.782E-01 0.852E-01 RMM: 3 -0.322812569687E+03 0.48494E-02 -0.11165E-02 5833 0.204E-01 0.166E-01 RMM: 4 -0.322812294207E+03 0.27548E-03 -0.70560E-04 4720 0.611E-02 0.129E-01 RMM: 5 -0.322812198506E+03 0.95701E-04 -0.12638E-04 3850 0.307E-02 0.736E-02 RMM: 6 -0.322812167465E+03 0.31041E-04 -0.28614E-05 2733 0.162E-02 0.425E-02 RMM: 7 -0.322812165397E+03 0.20673E-05 -0.21338E-05 2515 0.139E-02 6292 T= 6695. E= 0.67563176E+03 F= 0.63345682E+03 E0= 0.66173019E+03 EK= 0.54524E+02 SP= -.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323903229729E+03 -0.10911E+01 -0.13108E-01 7784 0.251E+01 0.199E-01 RMM: 2 -0.323916957506E+03 -0.13728E-01 -0.10687E-01 5105 0.789E-01 0.841E-01 RMM: 3 -0.323912251561E+03 0.47059E-02 -0.11411E-02 5906 0.199E-01 0.168E-01 RMM: 4 -0.323911941941E+03 0.30962E-03 -0.68069E-04 4685 0.627E-02 0.137E-01 RMM: 5 -0.323911826905E+03 0.11504E-03 -0.13003E-04 3868 0.313E-02 0.741E-02 RMM: 6 -0.323911797447E+03 0.29458E-04 -0.31711E-05 2886 0.169E-02 0.496E-02 RMM: 7 -0.323911787637E+03 0.98093E-05 -0.32572E-05 2593 0.164E-02 6293 T= 6861. E= 0.67562254E+03 F= 0.63235720E+03 E0= 0.66062399E+03 EK= 0.55869E+02 SP= -.13E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324971056971E+03 -0.10593E+01 -0.13563E-01 7872 0.255E+01 0.220E-01 RMM: 2 -0.324986359215E+03 -0.15302E-01 -0.11066E-01 5075 0.811E-01 0.950E-01 RMM: 3 -0.324980271800E+03 0.60874E-02 -0.12193E-02 5817 0.213E-01 0.180E-01 RMM: 4 -0.324979944014E+03 0.32779E-03 -0.80073E-04 4713 0.658E-02 0.135E-01 RMM: 5 -0.324979844831E+03 0.99183E-04 -0.14094E-04 3869 0.321E-02 0.806E-02 RMM: 6 -0.324979807476E+03 0.37355E-04 -0.32756E-05 2900 0.173E-02 0.473E-02 RMM: 7 -0.324979805795E+03 0.16810E-05 -0.26616E-05 2563 0.154E-02 6294 T= 7021. E= 0.67561391E+03 F= 0.63128918E+03 E0= 0.65955109E+03 EK= 0.57175E+02 SP= -.13E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325888989411E+03 -0.90918E+00 -0.13932E-01 7808 0.258E+01 0.208E-01 RMM: 2 -0.325901616943E+03 -0.12628E-01 -0.96354E-02 5192 0.753E-01 0.838E-01 RMM: 3 -0.325896904276E+03 0.47127E-02 -0.99495E-03 5878 0.190E-01 0.166E-01 RMM: 4 -0.325896651954E+03 0.25232E-03 -0.67547E-04 4647 0.626E-02 0.149E-01 RMM: 5 -0.325896521739E+03 0.13021E-03 -0.13260E-04 3876 0.313E-02 0.752E-02 RMM: 6 -0.325896491345E+03 0.30394E-04 -0.28413E-05 2796 0.165E-02 0.461E-02 RMM: 7 -0.325896489386E+03 0.19595E-05 -0.26652E-05 2561 0.150E-02 6295 T= 7161. E= 0.67560634E+03 F= 0.63037250E+03 E0= 0.65862802E+03 EK= 0.58315E+02 SP= -.13E+02 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326544555188E+03 -0.64806E+00 -0.14473E-01 7760 0.260E+01 0.200E-01 RMM: 2 -0.326556971548E+03 -0.12416E-01 -0.95096E-02 5132 0.753E-01 0.817E-01 RMM: 3 -0.326552450645E+03 0.45209E-02 -0.10087E-02 5880 0.192E-01 0.154E-01 RMM: 4 -0.326552224608E+03 0.22604E-03 -0.63569E-04 4662 0.601E-02 0.142E-01 RMM: 5 -0.326552108543E+03 0.11607E-03 -0.12428E-04 3839 0.308E-02 0.720E-02 RMM: 6 -0.326552080071E+03 0.28472E-04 -0.27586E-05 2778 0.162E-02 0.442E-02 RMM: 7 -0.326552080791E+03 -0.72003E-06 -0.25320E-05 2546 0.149E-02 6296 T= 7266. E= 0.67559941E+03 F= 0.62971691E+03 E0= 0.65796202E+03 EK= 0.59170E+02 SP= -.13E+02 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326839328008E+03 -0.28725E+00 -0.14658E-01 7632 0.261E+01 0.183E-01 RMM: 2 -0.326849800532E+03 -0.10473E-01 -0.84860E-02 5229 0.701E-01 0.717E-01 RMM: 3 -0.326846205765E+03 0.35948E-02 -0.80723E-03 5898 0.171E-01 0.134E-01 RMM: 4 -0.326846053718E+03 0.15205E-03 -0.50752E-04 4607 0.547E-02 0.143E-01 RMM: 5 -0.326845930907E+03 0.12281E-03 -0.10604E-04 3777 0.291E-02 0.629E-02 RMM: 6 -0.326845910803E+03 0.20104E-04 -0.22785E-05 2615 0.149E-02 0.421E-02 RMM: 7 -0.326845911532E+03 -0.72866E-06 -0.24322E-05 2537 0.145E-02 6297 T= 7323. E= 0.67559398E+03 F= 0.62942308E+03 E0= 0.65765196E+03 EK= 0.59634E+02 SP= -.14E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326689560364E+03 0.15635E+00 -0.14457E-01 7784 0.262E+01 0.167E-01 RMM: 2 -0.326699867975E+03 -0.10308E-01 -0.90345E-02 4996 0.720E-01 0.620E-01 RMM: 3 -0.326697120204E+03 0.27478E-02 -0.95567E-03 5964 0.185E-01 0.112E-01 RMM: 4 -0.326696994199E+03 0.12600E-03 -0.46641E-04 4543 0.526E-02 0.142E-01 RMM: 5 -0.326696867101E+03 0.12710E-03 -0.97935E-05 3652 0.296E-02 0.543E-02 RMM: 6 -0.326696854253E+03 0.12848E-04 -0.23001E-05 2569 0.144E-02 6298 T= 7322. E= 0.67559109E+03 F= 0.62957214E+03 E0= 0.65777889E+03 EK= 0.59623E+02 SP= -.14E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326050505254E+03 0.64636E+00 -0.14291E-01 7728 0.261E+01 0.197E-01 RMM: 2 -0.326065888042E+03 -0.15383E-01 -0.90878E-02 5097 0.704E-01 0.105E+00 RMM: 3 -0.326057910506E+03 0.79775E-02 -0.92962E-03 5457 0.210E-01 0.181E-01 RMM: 4 -0.326057702893E+03 0.20761E-03 -0.71227E-04 4709 0.567E-02 0.946E-02 RMM: 5 -0.326057638363E+03 0.64530E-04 -0.84195E-05 3728 0.251E-02 0.605E-02 RMM: 6 -0.326057627222E+03 0.11141E-04 -0.22486E-05 2562 0.140E-02 6299 T= 7256. E= 0.67559199E+03 F= 0.63021136E+03 E0= 0.65839191E+03 EK= 0.59090E+02 SP= -.14E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324925367633E+03 0.11323E+01 -0.13714E-01 7496 0.259E+01 0.310E-01 RMM: 2 -0.324954106580E+03 -0.28739E-01 -0.99677E-02 4985 0.766E-01 0.174E+00 RMM: 3 -0.324932900938E+03 0.21206E-01 -0.14219E-02 5372 0.286E-01 0.276E-01 RMM: 4 -0.324932358786E+03 0.54215E-03 -0.15178E-03 4860 0.820E-02 0.957E-02 RMM: 5 -0.324932326352E+03 0.32434E-04 -0.16475E-04 3929 0.304E-02 0.943E-02 RMM: 6 -0.324932273493E+03 0.52860E-04 -0.34415E-05 2910 0.181E-02 0.457E-02 RMM: 7 -0.324932281723E+03 -0.82309E-05 -0.22961E-05 2556 0.147E-02 6300 T= 7127. E= 0.67559712E+03 F= 0.63133671E+03 E0= 0.65948808E+03 EK= 0.58041E+02 SP= -.14E+02 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323384070231E+03 0.15482E+01 -0.13431E-01 7552 0.256E+01 0.315E-01 RMM: 2 -0.323408646526E+03 -0.24576E-01 -0.11149E-01 4944 0.801E-01 0.150E+00 RMM: 3 -0.323392651790E+03 0.15995E-01 -0.15110E-02 5396 0.285E-01 0.302E-01 RMM: 4 -0.323392036063E+03 0.61573E-03 -0.16260E-03 4891 0.863E-02 0.113E-01 RMM: 5 -0.323391999854E+03 0.36209E-04 -0.20588E-04 3925 0.337E-02 0.111E-01 RMM: 6 -0.323391920254E+03 0.79599E-04 -0.49352E-05 3182 0.213E-02 0.388E-02 RMM: 7 -0.323391918351E+03 0.19029E-05 -0.17485E-05 2510 0.128E-02 6301 T= 6945. E= 0.67560754E+03 F= 0.63287707E+03 E0= 0.66099784E+03 EK= 0.56555E+02 SP= -.14E+02 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321572144136E+03 0.18198E+01 -0.13195E-01 7672 0.251E+01 0.248E-01 RMM: 2 -0.321592437786E+03 -0.20294E-01 -0.12190E-01 5013 0.815E-01 0.120E+00 RMM: 3 -0.321582199789E+03 0.10238E-01 -0.13951E-02 5590 0.247E-01 0.217E-01 RMM: 4 -0.321581837752E+03 0.36204E-03 -0.10524E-03 4761 0.691E-02 0.116E-01 RMM: 5 -0.321581740710E+03 0.97042E-04 -0.13942E-04 3940 0.301E-02 0.789E-02 RMM: 6 -0.321581705119E+03 0.35591E-04 -0.35070E-05 2916 0.175E-02 0.515E-02 RMM: 7 -0.321581704384E+03 0.73468E-06 -0.44356E-05 2824 0.190E-02 6302 T= 6727. E= 0.67562204E+03 F= 0.63468728E+03 E0= 0.66277773E+03 EK= 0.54785E+02 SP= -.14E+02 SK= 0.75E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319698500766E+03 0.18832E+01 -0.12455E-01 7496 0.246E+01 0.265E-01 RMM: 2 -0.319718873291E+03 -0.20373E-01 -0.13196E-01 5010 0.868E-01 0.116E+00 RMM: 3 -0.319709395634E+03 0.94777E-02 -0.15769E-02 5661 0.254E-01 0.223E-01 RMM: 4 -0.319708959859E+03 0.43577E-03 -0.12095E-03 4810 0.761E-02 0.132E-01 RMM: 5 -0.319708874542E+03 0.85317E-04 -0.18315E-04 3890 0.338E-02 0.999E-02 RMM: 6 -0.319708813431E+03 0.61111E-04 -0.51985E-05 3213 0.216E-02 0.428E-02 RMM: 7 -0.319708813013E+03 0.41818E-06 -0.19338E-05 2523 0.133E-02 6303 T= 6501. E= 0.67563904E+03 F= 0.63656018E+03 E0= 0.66462064E+03 EK= 0.52944E+02 SP= -.14E+02 SK= 0.45E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.318003549036E+03 0.17053E+01 -0.12667E-01 7648 0.241E+01 0.242E-01 RMM: 2 -0.318024995112E+03 -0.21446E-01 -0.14513E-01 4993 0.901E-01 0.113E+00 RMM: 3 -0.318015812763E+03 0.91823E-02 -0.16306E-02 5783 0.248E-01 0.209E-01 RMM: 4 -0.318015376101E+03 0.43666E-03 -0.10419E-03 4771 0.730E-02 0.130E-01 RMM: 5 -0.318015262710E+03 0.11339E-03 -0.15553E-04 3910 0.315E-02 0.844E-02 RMM: 6 -0.318015224350E+03 0.38359E-04 -0.38768E-05 2975 0.186E-02 0.514E-02 RMM: 7 -0.318015221682E+03 0.26682E-05 -0.36060E-05 2631 0.171E-02 6304 T= 6297. E= 0.67565593E+03 F= 0.63825377E+03 E0= 0.66628643E+03 EK= 0.51282E+02 SP= -.14E+02 SK= 0.71E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.316732251591E+03 0.12830E+01 -0.12208E-01 7552 0.237E+01 0.222E-01 RMM: 2 -0.316749053038E+03 -0.16801E-01 -0.13100E-01 5058 0.868E-01 0.895E-01 RMM: 3 -0.316743317033E+03 0.57360E-02 -0.14512E-02 5852 0.228E-01 0.172E-01 RMM: 4 -0.316742978921E+03 0.33811E-03 -0.87391E-04 4757 0.685E-02 0.144E-01 RMM: 5 -0.316742868107E+03 0.11081E-03 -0.15462E-04 3893 0.327E-02 0.896E-02 RMM: 6 -0.316742821652E+03 0.46455E-04 -0.42230E-05 3066 0.196E-02 0.450E-02 RMM: 7 -0.316742820794E+03 0.85763E-06 -0.20105E-05 2522 0.135E-02 6305 T= 6145. E= 0.67566963E+03 F= 0.63952617E+03 E0= 0.66753430E+03 EK= 0.50045E+02 SP= -.14E+02 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316084082839E+03 0.65874E+00 -0.11153E-01 7624 0.234E+01 0.225E-01 RMM: 2 -0.316100769397E+03 -0.16687E-01 -0.11797E-01 5130 0.823E-01 0.100E+00 RMM: 3 -0.316093922264E+03 0.68471E-02 -0.12740E-02 5790 0.220E-01 0.200E-01 RMM: 4 -0.316093511754E+03 0.41051E-03 -0.85567E-04 4738 0.665E-02 0.114E-01 RMM: 5 -0.316093435528E+03 0.76226E-04 -0.13225E-04 3872 0.292E-02 0.825E-02 RMM: 6 -0.316093399555E+03 0.35973E-04 -0.31459E-05 2809 0.172E-02 0.477E-02 RMM: 7 -0.316093396868E+03 0.26867E-05 -0.24818E-05 2549 0.144E-02 6306 T= 6071. E= 0.67567794E+03 F= 0.64017559E+03 E0= 0.66816354E+03 EK= 0.49438E+02 SP= -.14E+02 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316186028680E+03 -0.92629E-01 -0.11214E-01 7544 0.234E+01 0.184E-01 RMM: 2 -0.316200206359E+03 -0.14178E-01 -0.11797E-01 5089 0.814E-01 0.765E-01 RMM: 3 -0.316196170032E+03 0.40363E-02 -0.12398E-02 5956 0.201E-01 0.148E-01 RMM: 4 -0.316195877980E+03 0.29205E-03 -0.64667E-04 4710 0.611E-02 0.128E-01 RMM: 5 -0.316195784564E+03 0.93416E-04 -0.11699E-04 3795 0.290E-02 0.756E-02 RMM: 6 -0.316195752941E+03 0.31623E-04 -0.31639E-05 2891 0.172E-02 0.421E-02 RMM: 7 -0.316195750340E+03 0.26013E-05 -0.19898E-05 2510 0.133E-02 6307 T= 6090. E= 0.67568044E+03 F= 0.64007324E+03 E0= 0.66804620E+03 EK= 0.49592E+02 SP= -.14E+02 SK= 0.74E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317086717806E+03 -0.89096E+00 -0.11138E-01 7488 0.236E+01 0.225E-01 RMM: 2 -0.317103333192E+03 -0.16615E-01 -0.11547E-01 5057 0.825E-01 0.101E+00 RMM: 3 -0.317096312082E+03 0.70211E-02 -0.12520E-02 5730 0.224E-01 0.191E-01 RMM: 4 -0.317095956359E+03 0.35572E-03 -0.84389E-04 4767 0.652E-02 0.110E-01 RMM: 5 -0.317095890378E+03 0.65980E-04 -0.13671E-04 3860 0.297E-02 0.854E-02 RMM: 6 -0.317095847575E+03 0.42804E-04 -0.36092E-05 2956 0.182E-02 0.437E-02 RMM: 7 -0.317095844933E+03 0.26414E-05 -0.20704E-05 2521 0.136E-02 6308 T= 6208. E= 0.67567683E+03 F= 0.63917314E+03 E0= 0.66713745E+03 EK= 0.50553E+02 SP= -.14E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318747264938E+03 -0.16514E+01 -0.12001E-01 7632 0.240E+01 0.212E-01 RMM: 2 -0.318763401603E+03 -0.16137E-01 -0.12813E-01 4981 0.874E-01 0.880E-01 RMM: 3 -0.318758230835E+03 0.51708E-02 -0.14295E-02 5865 0.229E-01 0.171E-01 RMM: 4 -0.318757882811E+03 0.34802E-03 -0.78878E-04 4785 0.649E-02 0.126E-01 RMM: 5 -0.318757786612E+03 0.96199E-04 -0.13556E-04 3864 0.311E-02 0.775E-02 RMM: 6 -0.318757754121E+03 0.32491E-04 -0.34360E-05 2897 0.177E-02 0.446E-02 RMM: 7 -0.318757750858E+03 0.32627E-05 -0.22083E-05 2520 0.143E-02 6309 T= 6420. E= 0.67566869E+03 F= 0.63751124E+03 E0= 0.66547399E+03 EK= 0.52284E+02 SP= -.14E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321072777843E+03 -0.23150E+01 -0.11639E-01 7560 0.245E+01 0.239E-01 RMM: 2 -0.321090904761E+03 -0.18127E-01 -0.12754E-01 5048 0.883E-01 0.104E+00 RMM: 3 -0.321083520525E+03 0.73842E-02 -0.14259E-02 5725 0.239E-01 0.200E-01 RMM: 4 -0.321083154359E+03 0.36617E-03 -0.94923E-04 4767 0.699E-02 0.129E-01 RMM: 5 -0.321083043185E+03 0.11117E-03 -0.16070E-04 3874 0.323E-02 0.873E-02 RMM: 6 -0.321083001092E+03 0.42093E-04 -0.42368E-05 3051 0.194E-02 0.484E-02 RMM: 7 -0.321082994898E+03 0.61944E-05 -0.24573E-05 2538 0.150E-02 6310 T= 6715. E= 0.67565757E+03 F= 0.63518599E+03 E0= 0.66315497E+03 EK= 0.54682E+02 SP= -.14E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323921098598E+03 -0.28381E+01 -0.12115E-01 7552 0.251E+01 0.250E-01 RMM: 2 -0.323939524478E+03 -0.18426E-01 -0.13388E-01 5088 0.906E-01 0.105E+00 RMM: 3 -0.323932349802E+03 0.71747E-02 -0.14885E-02 5718 0.245E-01 0.201E-01 RMM: 4 -0.323931984557E+03 0.36524E-03 -0.98598E-04 4731 0.701E-02 0.140E-01 RMM: 5 -0.323931847993E+03 0.13656E-03 -0.16663E-04 3882 0.339E-02 0.847E-02 RMM: 6 -0.323931811334E+03 0.36659E-04 -0.41365E-05 3006 0.193E-02 0.514E-02 RMM: 7 -0.323931802839E+03 0.84948E-05 -0.26608E-05 2551 0.156E-02 6311 T= 7073. E= 0.67564467E+03 F= 0.63233719E+03 E0= 0.66032053E+03 EK= 0.57597E+02 SP= -.14E+02 SK= 0.81E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327128551509E+03 -0.31967E+01 -0.12700E-01 7496 0.258E+01 0.246E-01 RMM: 2 -0.327149057051E+03 -0.20506E-01 -0.15948E-01 5008 0.983E-01 0.100E+00 RMM: 3 -0.327142415516E+03 0.66415E-02 -0.18175E-02 5786 0.258E-01 0.199E-01 RMM: 4 -0.327142008998E+03 0.40652E-03 -0.10824E-03 4845 0.761E-02 0.153E-01 RMM: 5 -0.327141834894E+03 0.17410E-03 -0.18473E-04 3902 0.349E-02 0.855E-02 RMM: 6 -0.327141799404E+03 0.35490E-04 -0.42384E-05 3034 0.193E-02 0.537E-02 RMM: 7 -0.327141784619E+03 0.14785E-04 -0.29193E-05 2563 0.161E-02 6312 T= 7472. E= 0.67563084E+03 F= 0.62912720E+03 E0= 0.65713277E+03 EK= 0.60851E+02 SP= -.14E+02 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330528783703E+03 -0.33870E+01 -0.13432E-01 7544 0.264E+01 0.242E-01 RMM: 2 -0.330549281208E+03 -0.20498E-01 -0.16547E-01 5005 0.996E-01 0.965E-01 RMM: 3 -0.330543194107E+03 0.60871E-02 -0.18618E-02 5809 0.260E-01 0.187E-01 RMM: 4 -0.330542802776E+03 0.39133E-03 -0.10530E-03 4872 0.751E-02 0.160E-01 RMM: 5 -0.330542613210E+03 0.18957E-03 -0.18082E-04 3911 0.353E-02 0.820E-02 RMM: 6 -0.330542582482E+03 0.30727E-04 -0.40197E-05 2975 0.188E-02 0.556E-02 RMM: 7 -0.330542561991E+03 0.20491E-04 -0.30898E-05 2571 0.165E-02 0.574E-02 RMM: 8 -0.330542536579E+03 0.25412E-04 -0.24296E-05 2527 0.142E-02 0.305E-02 RMM: 9 -0.330542536387E+03 0.19150E-06 -0.26743E-05 2566 0.139E-02 6313 T= 7890. E= 0.67561660E+03 F= 0.62572645E+03 E0= 0.65376144E+03 EK= 0.64255E+02 SP= -.14E+02 SK= 0.26E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333948477946E+03 -0.34059E+01 -0.14250E-01 7472 0.270E+01 0.271E-01 RMM: 2 -0.333968272415E+03 -0.19794E-01 -0.16889E-01 4923 0.103E+00 0.908E-01 RMM: 3 -0.333962885291E+03 0.53871E-02 -0.19862E-02 5833 0.271E-01 0.166E-01 RMM: 4 -0.333962755613E+03 0.12968E-03 -0.12360E-03 4938 0.836E-02 0.249E-01 RMM: 5 -0.333962340413E+03 0.41520E-03 -0.27218E-04 3956 0.433E-02 0.882E-02 RMM: 6 -0.333962297271E+03 0.43142E-04 -0.64835E-05 3391 0.226E-02 0.446E-02 RMM: 7 -0.333962286020E+03 0.11251E-04 -0.23279E-05 2537 0.148E-02 6314 T= 8303. E= 0.67560207E+03 F= 0.62230670E+03 E0= 0.65037516E+03 EK= 0.67612E+02 SP= -.14E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337218556421E+03 -0.32563E+01 -0.14673E-01 7432 0.276E+01 0.188E-01 RMM: 2 -0.337233498973E+03 -0.14943E-01 -0.12835E-01 5170 0.885E-01 0.752E-01 RMM: 3 -0.337229748849E+03 0.37501E-02 -0.12648E-02 5882 0.214E-01 0.169E-01 RMM: 4 -0.337229397153E+03 0.35170E-03 -0.62102E-04 4721 0.616E-02 0.127E-01 RMM: 5 -0.337229264472E+03 0.13268E-03 -0.11319E-04 3873 0.303E-02 0.774E-02 RMM: 6 -0.337229246009E+03 0.18463E-04 -0.32748E-05 2599 0.170E-02 6315 T= 8685. E= 0.67558783E+03 F= 0.61903974E+03 E0= 0.64714197E+03 EK= 0.70724E+02 SP= -.14E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340164540762E+03 -0.29353E+01 -0.15532E-01 7400 0.281E+01 0.215E-01 RMM: 2 -0.340183261381E+03 -0.18721E-01 -0.13322E-01 4899 0.905E-01 0.102E+00 RMM: 3 -0.340176261502E+03 0.69999E-02 -0.15301E-02 5638 0.258E-01 0.192E-01 RMM: 4 -0.340175965820E+03 0.29568E-03 -0.88420E-04 4734 0.677E-02 0.120E-01 RMM: 5 -0.340175849615E+03 0.11620E-03 -0.13654E-04 3947 0.342E-02 0.736E-02 RMM: 6 -0.340175831135E+03 0.18480E-04 -0.35442E-05 2723 0.178E-02 6316 T= 9013. E= 0.67557497E+03 F= 0.61609316E+03 E0= 0.64422921E+03 EK= 0.73397E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342634582279E+03 -0.24587E+01 -0.15725E-01 7272 0.285E+01 0.335E-01 RMM: 2 -0.342666930873E+03 -0.32349E-01 -0.14653E-01 4982 0.986E-01 0.171E+00 RMM: 3 -0.342646467907E+03 0.20463E-01 -0.18773E-02 5408 0.317E-01 0.276E-01 RMM: 4 -0.342645983284E+03 0.48462E-03 -0.19945E-03 5119 0.996E-02 0.167E-01 RMM: 5 -0.342645789251E+03 0.19403E-03 -0.29215E-04 3915 0.433E-02 0.961E-02 RMM: 6 -0.342645737913E+03 0.51338E-04 -0.55596E-05 3275 0.216E-02 0.533E-02 RMM: 7 -0.342645728860E+03 0.90526E-05 -0.32098E-05 2561 0.171E-02 6317 T= 9265. E= 0.67556450E+03 F= 0.61362326E+03 E0= 0.64178769E+03 EK= 0.75452E+02 SP= -.14E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344494856455E+03 -0.18491E+01 -0.16241E-01 7312 0.288E+01 0.239E-01 RMM: 2 -0.344516992603E+03 -0.22136E-01 -0.14579E-01 4784 0.963E-01 0.116E+00 RMM: 3 -0.344507680081E+03 0.93125E-02 -0.17849E-02 5527 0.289E-01 0.221E-01 RMM: 4 -0.344507346683E+03 0.33340E-03 -0.13160E-03 4950 0.817E-02 0.147E-01 RMM: 5 -0.344507204875E+03 0.14181E-03 -0.20643E-04 3986 0.393E-02 0.798E-02 RMM: 6 -0.344507169552E+03 0.35323E-04 -0.42313E-05 2996 0.191E-02 0.553E-02 RMM: 7 -0.344507159412E+03 0.10139E-04 -0.39428E-05 2646 0.188E-02 6318 T= 9424. E= 0.67555569E+03 F= 0.61176183E+03 E0= 0.63994729E+03 EK= 0.76740E+02 SP= -.13E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345645984359E+03 -0.11388E+01 -0.16526E-01 7416 0.289E+01 0.198E-01 RMM: 2 -0.345663536836E+03 -0.17552E-01 -0.14438E-01 4783 0.949E-01 0.818E-01 RMM: 3 -0.345658833448E+03 0.47034E-02 -0.17166E-02 5811 0.260E-01 0.160E-01 RMM: 4 -0.345658563308E+03 0.27014E-03 -0.85359E-04 4733 0.722E-02 0.146E-01 RMM: 5 -0.345658417369E+03 0.14594E-03 -0.15468E-04 3990 0.377E-02 0.648E-02 RMM: 6 -0.345658399635E+03 0.17734E-04 -0.36192E-05 2834 0.180E-02 6319 T= 9474. E= 0.67555080E+03 F= 0.61061059E+03 E0= 0.63880728E+03 EK= 0.77152E+02 SP= -.13E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346027618474E+03 -0.36920E+00 -0.15998E-01 7176 0.289E+01 0.199E-01 RMM: 2 -0.346047488461E+03 -0.19870E-01 -0.14782E-01 4803 0.946E-01 0.981E-01 RMM: 3 -0.346040798812E+03 0.66896E-02 -0.17407E-02 5733 0.262E-01 0.173E-01 RMM: 4 -0.346040465611E+03 0.33320E-03 -0.85399E-04 4741 0.688E-02 0.117E-01 RMM: 5 -0.346040368514E+03 0.97098E-04 -0.13413E-04 3987 0.354E-02 0.663E-02 RMM: 6 -0.346040349980E+03 0.18533E-04 -0.29870E-05 2556 0.162E-02 6320 T= 9411. E= 0.67555139E+03 F= 0.61022864E+03 E0= 0.63842809E+03 EK= 0.76637E+02 SP= -.12E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345635712285E+03 0.40466E+00 -0.15060E-01 7096 0.287E+01 0.261E-01 RMM: 2 -0.345658492692E+03 -0.22780E-01 -0.12008E-01 4783 0.883E-01 0.135E+00 RMM: 3 -0.345645937676E+03 0.12555E-01 -0.15826E-02 5425 0.286E-01 0.240E-01 RMM: 4 -0.345645517943E+03 0.41973E-03 -0.12652E-03 4801 0.775E-02 0.103E-01 RMM: 5 -0.345645465566E+03 0.52377E-04 -0.16571E-04 3961 0.350E-02 0.835E-02 RMM: 6 -0.345645422538E+03 0.43028E-04 -0.36271E-05 2844 0.184E-02 0.470E-02 RMM: 7 -0.345645425215E+03 -0.26763E-05 -0.23929E-05 2539 0.151E-02 6321 T= 9234. E= 0.67555557E+03 F= 0.61062356E+03 E0= 0.63881962E+03 EK= 0.75200E+02 SP= -.11E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344503955208E+03 0.11415E+01 -0.15547E-01 7304 0.283E+01 0.254E-01 RMM: 2 -0.344524636724E+03 -0.20682E-01 -0.13544E-01 4723 0.924E-01 0.115E+00 RMM: 3 -0.344515502887E+03 0.91338E-02 -0.17062E-02 5537 0.281E-01 0.222E-01 RMM: 4 -0.344515131043E+03 0.37184E-03 -0.12479E-03 4874 0.789E-02 0.120E-01 RMM: 5 -0.344515074589E+03 0.56454E-04 -0.16558E-04 3967 0.334E-02 0.917E-02 RMM: 6 -0.344515018347E+03 0.56242E-04 -0.34082E-05 2823 0.177E-02 0.333E-02 RMM: 7 -0.344515019858E+03 -0.15109E-05 -0.19945E-05 2506 0.141E-02 6322 T= 8953. E= 0.67556333E+03 F= 0.61175397E+03 E0= 0.63994230E+03 EK= 0.72912E+02 SP= -.11E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342730761992E+03 0.17843E+01 -0.14692E-01 7280 0.278E+01 0.194E-01 RMM: 2 -0.342746731975E+03 -0.15970E-01 -0.11771E-01 4798 0.847E-01 0.907E-01 RMM: 3 -0.342741047677E+03 0.56843E-02 -0.13941E-02 5633 0.242E-01 0.168E-01 RMM: 4 -0.342740807881E+03 0.23980E-03 -0.75008E-04 4691 0.633E-02 0.111E-01 RMM: 5 -0.342740729533E+03 0.78347E-04 -0.11717E-04 3838 0.314E-02 0.703E-02 RMM: 6 -0.342740700599E+03 0.28934E-04 -0.31193E-05 2717 0.167E-02 0.409E-02 RMM: 7 -0.342740701011E+03 -0.41190E-06 -0.23617E-05 2523 0.149E-02 6323 T= 8583. E= 0.67557477E+03 F= 0.61352829E+03 E0= 0.64170714E+03 EK= 0.69898E+02 SP= -.97E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340446771953E+03 0.22939E+01 -0.14012E-01 7424 0.271E+01 0.202E-01 RMM: 2 -0.340463212791E+03 -0.16441E-01 -0.12552E-01 4767 0.880E-01 0.904E-01 RMM: 3 -0.340457731775E+03 0.54810E-02 -0.15274E-02 5786 0.243E-01 0.176E-01 RMM: 4 -0.340457403109E+03 0.32867E-03 -0.81243E-04 4740 0.674E-02 0.107E-01 RMM: 5 -0.340457339193E+03 0.63915E-04 -0.12230E-04 3815 0.309E-02 0.757E-02 RMM: 6 -0.340457307095E+03 0.32098E-04 -0.28385E-05 2572 0.161E-02 0.353E-02 RMM: 7 -0.340457307206E+03 -0.11098E-06 -0.16429E-05 2495 0.127E-02 6324 T= 8146. E= 0.67558862E+03 F= 0.61581168E+03 E0= 0.64398152E+03 EK= 0.66333E+02 SP= -.87E+01 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337818825663E+03 0.26385E+01 -0.13880E-01 7464 0.263E+01 0.183E-01 RMM: 2 -0.337835458220E+03 -0.16633E-01 -0.13823E-01 4783 0.908E-01 0.797E-01 RMM: 3 -0.337831062109E+03 0.43961E-02 -0.15987E-02 5876 0.237E-01 0.165E-01 RMM: 4 -0.337830718575E+03 0.34353E-03 -0.77605E-04 4741 0.684E-02 0.115E-01 RMM: 5 -0.337830628551E+03 0.90024E-04 -0.12184E-04 3864 0.316E-02 0.689E-02 RMM: 6 -0.337830603678E+03 0.24873E-04 -0.28513E-05 2602 0.160E-02 0.418E-02 RMM: 7 -0.337830598630E+03 0.50485E-05 -0.23025E-05 2510 0.144E-02 6325 T= 7665. E= 0.67560377E+03 F= 0.61843839E+03 E0= 0.64659992E+03 EK= 0.62421E+02 SP= -.77E+01 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335035453435E+03 0.27952E+01 -0.12544E-01 7472 0.254E+01 0.183E-01 RMM: 2 -0.335048395801E+03 -0.12942E-01 -0.10713E-01 4877 0.812E-01 0.741E-01 RMM: 3 -0.335044763320E+03 0.36325E-02 -0.12511E-02 5847 0.215E-01 0.151E-01 RMM: 4 -0.335044508069E+03 0.25525E-03 -0.63989E-04 4696 0.610E-02 0.121E-01 RMM: 5 -0.335044410277E+03 0.97792E-04 -0.11344E-04 3767 0.305E-02 0.671E-02 RMM: 6 -0.335044389226E+03 0.21051E-04 -0.25388E-05 2552 0.150E-02 0.409E-02 RMM: 7 -0.335044385983E+03 0.32432E-05 -0.19794E-05 2507 0.136E-02 6326 T= 7169. E= 0.67561923E+03 F= 0.62122460E+03 E0= 0.64937895E+03 EK= 0.58378E+02 SP= -.65E+01 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332278553279E+03 0.27658E+01 -0.11653E-01 7392 0.245E+01 0.178E-01 RMM: 2 -0.332290938796E+03 -0.12386E-01 -0.98015E-02 4983 0.763E-01 0.770E-01 RMM: 3 -0.332287021630E+03 0.39172E-02 -0.10823E-02 5843 0.196E-01 0.154E-01 RMM: 4 -0.332286790183E+03 0.23145E-03 -0.61799E-04 4645 0.610E-02 0.126E-01 RMM: 5 -0.332286684452E+03 0.10573E-03 -0.11511E-04 3797 0.301E-02 0.669E-02 RMM: 6 -0.332286662703E+03 0.21749E-04 -0.24896E-05 2592 0.151E-02 0.402E-02 RMM: 7 -0.332286659957E+03 0.27465E-05 -0.18528E-05 2497 0.131E-02 6327 T= 6683. E= 0.67563355E+03 F= 0.62398233E+03 E0= 0.65213003E+03 EK= 0.54420E+02 SP= -.54E+01 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329724125110E+03 0.25625E+01 -0.10905E-01 7568 0.236E+01 0.159E-01 RMM: 2 -0.329734413018E+03 -0.10288E-01 -0.88735E-02 4969 0.732E-01 0.623E-01 RMM: 3 -0.329731845082E+03 0.25679E-02 -0.10009E-02 5914 0.187E-01 0.131E-01 RMM: 4 -0.329731641822E+03 0.20326E-03 -0.49556E-04 4555 0.549E-02 0.122E-01 RMM: 5 -0.329731539993E+03 0.10183E-03 -0.10047E-04 3694 0.293E-02 0.578E-02 RMM: 6 -0.329731526330E+03 0.13663E-04 -0.22344E-05 2535 0.139E-02 6328 T= 6231. E= 0.67564653E+03 F= 0.62653746E+03 E0= 0.65467909E+03 EK= 0.50738E+02 SP= -.43E+01 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327520753020E+03 0.22108E+01 -0.97676E-02 7328 0.228E+01 0.142E-01 RMM: 2 -0.327529764315E+03 -0.90113E-02 -0.72467E-02 5103 0.645E-01 0.632E-01 RMM: 3 -0.327527075257E+03 0.26891E-02 -0.75505E-03 5795 0.164E-01 0.130E-01 RMM: 4 -0.327526904296E+03 0.17096E-03 -0.38096E-04 4260 0.461E-02 0.977E-02 RMM: 5 -0.327526834681E+03 0.69616E-04 -0.65590E-05 3396 0.247E-02 0.522E-02 RMM: 6 -0.327526826507E+03 0.81742E-05 -0.20446E-05 2519 0.132E-02 6329 T= 5832. E= 0.67565731E+03 F= 0.62874216E+03 E0= 0.65687831E+03 EK= 0.47489E+02 SP= -.31E+01 SK= 0.25E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325778507547E+03 0.17483E+01 -0.93648E-02 7232 0.221E+01 0.209E-01 RMM: 2 -0.325793646525E+03 -0.15139E-01 -0.71311E-02 5076 0.654E-01 0.116E+00 RMM: 3 -0.325784289298E+03 0.93572E-02 -0.84148E-03 5442 0.203E-01 0.193E-01 RMM: 4 -0.325784010865E+03 0.27843E-03 -0.80944E-04 4638 0.616E-02 0.741E-02 RMM: 5 -0.325783987084E+03 0.23781E-04 -0.10353E-04 3814 0.253E-02 0.684E-02 RMM: 6 -0.325783961630E+03 0.25454E-04 -0.21131E-05 2552 0.144E-02 0.334E-02 RMM: 7 -0.325783964249E+03 -0.26187E-05 -0.13343E-05 2488 0.115E-02 6330 T= 5499. E= 0.67566433E+03 F= 0.63048503E+03 E0= 0.65861629E+03 EK= 0.44783E+02 SP= -.20E+01 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324564137558E+03 0.12198E+01 -0.91435E-02 7392 0.216E+01 0.184E-01 RMM: 2 -0.324576101875E+03 -0.11964E-01 -0.72157E-02 5034 0.650E-01 0.940E-01 RMM: 3 -0.324570182523E+03 0.59194E-02 -0.81302E-03 5628 0.184E-01 0.178E-01 RMM: 4 -0.324569932527E+03 0.25000E-03 -0.69556E-04 4615 0.603E-02 0.995E-02 RMM: 5 -0.324569882272E+03 0.50255E-04 -0.10738E-04 3732 0.278E-02 0.674E-02 RMM: 6 -0.324569853208E+03 0.29063E-04 -0.22329E-05 2566 0.147E-02 0.279E-02 RMM: 7 -0.324569853733E+03 -0.52414E-06 -0.13003E-05 2475 0.115E-02 6331 T= 5242. E= 0.67566758E+03 F= 0.63169914E+03 E0= 0.65982811E+03 EK= 0.42685E+02 SP= -.93E+00 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323901879604E+03 0.66797E+00 -0.85434E-02 7712 0.212E+01 0.138E-01 RMM: 2 -0.323910410505E+03 -0.85309E-02 -0.65747E-02 5057 0.606E-01 0.646E-01 RMM: 3 -0.323907475319E+03 0.29352E-02 -0.69259E-03 5810 0.160E-01 0.117E-01 RMM: 4 -0.323907319862E+03 0.15546E-03 -0.36594E-04 4329 0.434E-02 0.756E-02 RMM: 5 -0.323907282628E+03 0.37235E-04 -0.52955E-05 3239 0.215E-02 0.531E-02 RMM: 6 -0.323907269354E+03 0.13274E-04 -0.19955E-05 2517 0.136E-02 6332 T= 5061. E= 0.67566813E+03 F= 0.63236172E+03 E0= 0.66049195E+03 EK= 0.41210E+02 SP= 0.95E-01 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323774624154E+03 0.13266E+00 -0.82166E-02 7608 0.210E+01 0.163E-01 RMM: 2 -0.323784753337E+03 -0.10129E-01 -0.61701E-02 5127 0.583E-01 0.851E-01 RMM: 3 -0.323779715447E+03 0.50379E-02 -0.66575E-03 5611 0.170E-01 0.132E-01 RMM: 4 -0.323779564116E+03 0.15133E-03 -0.46233E-04 4501 0.436E-02 0.660E-02 RMM: 5 -0.323779536323E+03 0.27794E-04 -0.46048E-05 2993 0.198E-02 0.540E-02 RMM: 6 -0.323779524715E+03 0.11608E-04 -0.20229E-05 2510 0.139E-02 6333 T= 4953. E= 0.67566650E+03 F= 0.63248946E+03 E0= 0.66062566E+03 EK= 0.40333E+02 SP= 0.11E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324132625356E+03 -0.35309E+00 -0.83361E-02 7456 0.209E+01 0.229E-01 RMM: 2 -0.324148203999E+03 -0.15579E-01 -0.67801E-02 5126 0.629E-01 0.121E+00 RMM: 3 -0.324137981054E+03 0.10223E-01 -0.85654E-03 5436 0.211E-01 0.224E-01 RMM: 4 -0.324137598129E+03 0.38292E-03 -0.87755E-04 4655 0.610E-02 0.631E-02 RMM: 5 -0.324137585546E+03 0.12583E-04 -0.10018E-04 3870 0.246E-02 6334 T= 4911. E= 0.67566319E+03 F= 0.63213140E+03 E0= 0.66027931E+03 EK= 0.39996E+02 SP= 0.20E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324902874713E+03 -0.76528E+00 -0.85168E-02 7720 0.210E+01 0.148E-01 RMM: 2 -0.324912063336E+03 -0.91886E-02 -0.63050E-02 5204 0.579E-01 0.733E-01 RMM: 3 -0.324908269651E+03 0.37937E-02 -0.62034E-03 5610 0.159E-01 0.151E-01 RMM: 4 -0.324908070290E+03 0.19936E-03 -0.45935E-04 4237 0.458E-02 0.734E-02 RMM: 5 -0.324908039168E+03 0.31122E-04 -0.52267E-05 3232 0.203E-02 0.575E-02 RMM: 6 -0.324908024727E+03 0.14441E-04 -0.17772E-05 2508 0.128E-02 6335 T= 4926. E= 0.67565830E+03 F= 0.63136096E+03 E0= 0.65952694E+03 EK= 0.40118E+02 SP= 0.28E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325996266656E+03 -0.10882E+01 -0.86526E-02 7728 0.211E+01 0.258E-01 RMM: 2 -0.326012682016E+03 -0.16415E-01 -0.72777E-02 5074 0.654E-01 0.128E+00 RMM: 3 -0.326001773362E+03 0.10909E-01 -0.96875E-03 5414 0.229E-01 0.242E-01 RMM: 4 -0.326001348652E+03 0.42471E-03 -0.97570E-04 4702 0.625E-02 0.728E-02 RMM: 5 -0.326001351953E+03 -0.33004E-05 -0.12665E-04 3860 0.286E-02 6336 T= 4986. E= 0.67565237E+03 F= 0.63026764E+03 E0= 0.65845787E+03 EK= 0.40603E+02 SP= 0.36E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327311739391E+03 -0.13104E+01 -0.84786E-02 7768 0.214E+01 0.192E-01 RMM: 2 -0.327325579886E+03 -0.13840E-01 -0.72808E-02 5108 0.630E-01 0.106E+00 RMM: 3 -0.327317990121E+03 0.75898E-02 -0.84532E-03 5456 0.196E-01 0.175E-01 RMM: 4 -0.327317787692E+03 0.20243E-03 -0.73720E-04 4784 0.543E-02 0.965E-02 RMM: 5 -0.327317716638E+03 0.71054E-04 -0.90537E-05 3795 0.240E-02 0.599E-02 RMM: 6 -0.327317698245E+03 0.18393E-04 -0.19905E-05 2529 0.134E-02 6337 T= 5077. E= 0.67564605E+03 F= 0.62895129E+03 E0= 0.65717152E+03 EK= 0.41346E+02 SP= 0.43E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328745705141E+03 -0.14280E+01 -0.96660E-02 7704 0.216E+01 0.179E-01 RMM: 2 -0.328759050205E+03 -0.13345E-01 -0.88296E-02 4868 0.706E-01 0.910E-01 RMM: 3 -0.328753226491E+03 0.58237E-02 -0.10233E-02 5602 0.204E-01 0.172E-01 RMM: 4 -0.328752946435E+03 0.28006E-03 -0.69641E-04 4884 0.536E-02 0.570E-02 RMM: 5 -0.328752919518E+03 0.26917E-04 -0.79757E-05 3560 0.237E-02 0.526E-02 RMM: 6 -0.328752906509E+03 0.13009E-04 -0.18162E-05 2513 0.125E-02 6338 T= 5187. E= 0.67563889E+03 F= 0.62751608E+03 E0= 0.65577076E+03 EK= 0.42239E+02 SP= 0.50E+01 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330194176795E+03 -0.14413E+01 -0.95745E-02 7608 0.219E+01 0.265E-01 RMM: 2 -0.330216044705E+03 -0.21868E-01 -0.86872E-02 4925 0.716E-01 0.148E+00 RMM: 3 -0.330201016422E+03 0.15028E-01 -0.11577E-02 5399 0.247E-01 0.232E-01 RMM: 4 -0.330200621185E+03 0.39524E-03 -0.12033E-03 4691 0.708E-02 0.866E-02 RMM: 5 -0.330200602064E+03 0.19121E-04 -0.14894E-04 3925 0.296E-02 6339 T= 5302. E= 0.67563211E+03 F= 0.62606839E+03 E0= 0.65436008E+03 EK= 0.43174E+02 SP= 0.57E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331549874876E+03 -0.13493E+01 -0.98065E-02 7776 0.222E+01 0.166E-01 RMM: 2 -0.331561958195E+03 -0.12083E-01 -0.72873E-02 5081 0.626E-01 0.901E-01 RMM: 3 -0.331556205203E+03 0.57530E-02 -0.79481E-03 5518 0.183E-01 0.186E-01 RMM: 4 -0.331555932999E+03 0.27220E-03 -0.62850E-04 4625 0.524E-02 0.720E-02 RMM: 5 -0.331555900268E+03 0.32731E-04 -0.78560E-05 3640 0.236E-02 0.563E-02 RMM: 6 -0.331555883091E+03 0.17178E-04 -0.18287E-05 2518 0.124E-02 6340 T= 5409. E= 0.67562574E+03 F= 0.62471311E+03 E0= 0.65304382E+03 EK= 0.44044E+02 SP= 0.62E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332715638013E+03 -0.11597E+01 -0.10164E-01 7752 0.224E+01 0.192E-01 RMM: 2 -0.332729459687E+03 -0.13822E-01 -0.81729E-02 4975 0.665E-01 0.100E+00 RMM: 3 -0.332722446546E+03 0.70131E-02 -0.91930E-03 5540 0.196E-01 0.186E-01 RMM: 4 -0.332722149656E+03 0.29689E-03 -0.72202E-04 4720 0.564E-02 0.752E-02 RMM: 5 -0.332722124411E+03 0.25245E-04 -0.98260E-05 3768 0.254E-02 0.644E-02 RMM: 6 -0.332722100295E+03 0.24116E-04 -0.22183E-05 2555 0.143E-02 0.328E-02 RMM: 7 -0.332722102569E+03 -0.22741E-05 -0.13415E-05 2488 0.113E-02 6341 T= 5495. E= 0.67561953E+03 F= 0.62354689E+03 E0= 0.65191634E+03 EK= 0.44751E+02 SP= 0.68E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333613077821E+03 -0.89098E+00 -0.98499E-02 7848 0.227E+01 0.217E-01 RMM: 2 -0.333625937140E+03 -0.12859E-01 -0.70673E-02 5027 0.640E-01 0.104E+00 RMM: 3 -0.333618740444E+03 0.71967E-02 -0.85051E-03 5461 0.202E-01 0.218E-01 RMM: 4 -0.333618427919E+03 0.31252E-03 -0.82789E-04 4668 0.610E-02 0.946E-02 RMM: 5 -0.333618391417E+03 0.36502E-04 -0.13190E-04 3838 0.302E-02 0.782E-02 RMM: 6 -0.333618350493E+03 0.40925E-04 -0.32544E-05 2935 0.177E-02 0.266E-02 RMM: 7 -0.333618351337E+03 -0.84496E-06 -0.12533E-05 2484 0.109E-02 6342 T= 5553. E= 0.67561458E+03 F= 0.62265064E+03 E0= 0.65105701E+03 EK= 0.45217E+02 SP= 0.73E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334181866547E+03 -0.56352E+00 -0.10027E-01 7680 0.228E+01 0.158E-01 RMM: 2 -0.334192535319E+03 -0.10669E-01 -0.72020E-02 5049 0.615E-01 0.810E-01 RMM: 3 -0.334187836500E+03 0.46988E-02 -0.74763E-03 5640 0.173E-01 0.148E-01 RMM: 4 -0.334187637983E+03 0.19852E-03 -0.48695E-04 4564 0.466E-02 0.720E-02 RMM: 5 -0.334187599037E+03 0.38946E-04 -0.62835E-05 3369 0.229E-02 0.534E-02 RMM: 6 -0.334187584264E+03 0.14773E-04 -0.21656E-05 2526 0.141E-02 6343 T= 5573. E= 0.67561221E+03 F= 0.62208141E+03 E0= 0.65052124E+03 EK= 0.45385E+02 SP= 0.77E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334404751503E+03 -0.21715E+00 -0.10372E-01 7528 0.228E+01 0.159E-01 RMM: 2 -0.334416979107E+03 -0.12228E-01 -0.80712E-02 4914 0.644E-01 0.846E-01 RMM: 3 -0.334411598237E+03 0.53809E-02 -0.88384E-03 5598 0.189E-01 0.167E-01 RMM: 4 -0.334411343461E+03 0.25478E-03 -0.58723E-04 4738 0.505E-02 0.645E-02 RMM: 5 -0.334411313673E+03 0.29788E-04 -0.61021E-05 3294 0.217E-02 0.566E-02 RMM: 6 -0.334411301265E+03 0.12408E-04 -0.19514E-05 2512 0.132E-02 6344 T= 5556. E= 0.67561325E+03 F= 0.62185769E+03 E0= 0.65032733E+03 EK= 0.45242E+02 SP= 0.82E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334318658051E+03 0.92656E-01 -0.10602E-01 7728 0.228E+01 0.320E-01 RMM: 2 -0.334349539191E+03 -0.30881E-01 -0.94369E-02 4823 0.734E-01 0.185E+00 RMM: 3 -0.334325679516E+03 0.23860E-01 -0.14408E-02 5374 0.290E-01 0.311E-01 RMM: 4 -0.334324978048E+03 0.70147E-03 -0.16047E-03 4810 0.802E-02 0.750E-02 RMM: 5 -0.334324958663E+03 0.19384E-04 -0.16498E-04 4049 0.303E-02 6345 T= 5505. E= 0.67561911E+03 F= 0.62194403E+03 E0= 0.65043805E+03 EK= 0.44827E+02 SP= 0.86E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334017770308E+03 0.30721E+00 -0.10521E-01 7760 0.226E+01 0.265E-01 RMM: 2 -0.334043021533E+03 -0.25251E-01 -0.96118E-02 4948 0.714E-01 0.156E+00 RMM: 3 -0.334025752212E+03 0.17269E-01 -0.12864E-02 5398 0.261E-01 0.286E-01 RMM: 4 -0.334025188471E+03 0.56374E-03 -0.13570E-03 4831 0.728E-02 0.104E-01 RMM: 5 -0.334025128674E+03 0.59797E-04 -0.13697E-04 3947 0.303E-02 0.860E-02 RMM: 6 -0.334025094365E+03 0.34309E-04 -0.31041E-05 2637 0.160E-02 0.713E-02 RMM: 7 -0.334025124226E+03 -0.29861E-04 -0.68803E-05 3481 0.217E-02 0.110E-01 RMM: 8 -0.334025046268E+03 0.77958E-04 -0.18422E-04 3909 0.301E-02 0.451E-02 RMM: 9 -0.334025037363E+03 0.89058E-05 -0.26347E-05 2613 0.138E-02 6346 T= 5432. E= 0.67562911E+03 F= 0.62224395E+03 E0= 0.65075661E+03 EK= 0.44238E+02 SP= 0.89E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333651861379E+03 0.37318E+00 -0.10807E-01 7576 0.223E+01 0.277E-01 RMM: 2 -0.333669800559E+03 -0.17939E-01 -0.11765E-01 4739 0.824E-01 0.111E+00 RMM: 3 -0.333661264175E+03 0.85364E-02 -0.14140E-02 5643 0.244E-01 0.233E-01 RMM: 4 -0.333661104195E+03 0.15998E-03 -0.14043E-03 4830 0.847E-02 0.225E-01 RMM: 5 -0.333660824199E+03 0.28000E-03 -0.27679E-04 3903 0.423E-02 0.107E-01 RMM: 6 -0.333660753815E+03 0.70384E-04 -0.66235E-05 3415 0.239E-02 0.345E-02 RMM: 7 -0.333660762429E+03 -0.86144E-05 -0.21701E-05 2543 0.140E-02 6347 T= 5357. E= 0.67564025E+03 F= 0.62260823E+03 E0= 0.65113252E+03 EK= 0.43623E+02 SP= 0.92E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333390438157E+03 0.27032E+00 -0.97411E-02 7584 0.219E+01 0.196E-01 RMM: 2 -0.333405500678E+03 -0.15063E-01 -0.10223E-01 4954 0.756E-01 0.949E-01 RMM: 3 -0.333399332799E+03 0.61679E-02 -0.11622E-02 5724 0.210E-01 0.214E-01 RMM: 4 -0.333398902966E+03 0.42983E-03 -0.75624E-04 4706 0.610E-02 0.801E-02 RMM: 5 -0.333398855251E+03 0.47715E-04 -0.10311E-04 3941 0.261E-02 0.678E-02 RMM: 6 -0.333398837978E+03 0.17273E-04 -0.24398E-05 2557 0.145E-02 6348 T= 5299. E= 0.67564939E+03 F= 0.62287015E+03 E0= 0.65139952E+03 EK= 0.43149E+02 SP= 0.95E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333360255262E+03 0.38600E-01 -0.10229E-01 7520 0.217E+01 0.252E-01 RMM: 2 -0.333382686603E+03 -0.22431E-01 -0.11404E-01 4885 0.784E-01 0.135E+00 RMM: 3 -0.333369777382E+03 0.12909E-01 -0.13960E-02 5450 0.256E-01 0.243E-01 RMM: 4 -0.333369345998E+03 0.43138E-03 -0.12809E-03 5109 0.675E-02 0.832E-02 RMM: 5 -0.333369299916E+03 0.46082E-04 -0.13029E-04 3888 0.299E-02 0.750E-02 RMM: 6 -0.333369273899E+03 0.26018E-04 -0.32257E-05 2733 0.162E-02 0.612E-02 RMM: 7 -0.333369306352E+03 -0.32453E-04 -0.79147E-05 3679 0.241E-02 0.958E-02 RMM: 8 -0.333369250423E+03 0.55929E-04 -0.64241E-05 3320 0.197E-02 0.377E-02 RMM: 9 -0.333369244521E+03 0.59018E-05 -0.16193E-05 2503 0.120E-02 6349 T= 5273. E= 0.67565280E+03 F= 0.62289974E+03 E0= 0.65142619E+03 EK= 0.42939E+02 SP= 0.97E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333615803247E+03 -0.24655E+00 -0.98870E-02 8224 0.216E+01 0.272E-01 RMM: 2 -0.333636593612E+03 -0.20790E-01 -0.93563E-02 5029 0.688E-01 0.139E+00 RMM: 3 -0.333622828901E+03 0.13765E-01 -0.10513E-02 5422 0.231E-01 0.225E-01 RMM: 4 -0.333622595564E+03 0.23334E-03 -0.13555E-03 4666 0.804E-02 0.175E-01 RMM: 5 -0.333622479361E+03 0.11620E-03 -0.22398E-04 3890 0.371E-02 0.125E-01 RMM: 6 -0.333622382967E+03 0.96393E-04 -0.68817E-05 3476 0.244E-02 0.444E-02 RMM: 7 -0.333622406461E+03 -0.23493E-04 -0.38631E-05 3006 0.179E-02 0.754E-02 RMM: 8 -0.333622375557E+03 0.30904E-04 -0.33367E-05 2705 0.181E-02 0.337E-02 RMM: 9 -0.333622371361E+03 0.41957E-05 -0.10773E-05 2477 0.986E-03 6350 T= 5286. E= 0.67565017E+03 F= 0.62264662E+03 E0= 0.65116453E+03 EK= 0.43046E+02 SP= 0.99E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334118096466E+03 -0.49572E+00 -0.11234E-01 8896 0.216E+01 0.198E-01 RMM: 2 -0.334133462543E+03 -0.15366E-01 -0.99363E-02 5529 0.676E-01 0.100E+00 RMM: 3 -0.334126365748E+03 0.70968E-02 -0.79632E-03 5465 0.197E-01 0.192E-01 RMM: 4 -0.334126107951E+03 0.25780E-03 -0.78058E-04 4813 0.561E-02 0.888E-02 RMM: 5 -0.334126053602E+03 0.54349E-04 -0.82491E-05 3716 0.228E-02 0.634E-02 RMM: 6 -0.334126038983E+03 0.14618E-04 -0.18487E-05 2544 0.128E-02 6351 T= 5334. E= 0.67564477E+03 F= 0.62214295E+03 E0= 0.65064722E+03 EK= 0.43437E+02 SP= 0.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334790334635E+03 -0.66428E+00 -0.13456E-01 8984 0.217E+01 0.222E-01 RMM: 2 -0.334811352268E+03 -0.21018E-01 -0.12200E-01 5651 0.729E-01 0.121E+00 RMM: 3 -0.334800621004E+03 0.10731E-01 -0.94987E-03 5417 0.219E-01 0.214E-01 RMM: 4 -0.334800338241E+03 0.28276E-03 -0.10047E-03 5264 0.574E-02 0.106E-01 RMM: 5 -0.334800288132E+03 0.50109E-04 -0.62334E-05 3364 0.216E-02 0.939E-02 RMM: 6 -0.334800280167E+03 0.79649E-05 -0.19229E-05 2535 0.132E-02 6352 T= 5407. E= 0.67563913E+03 F= 0.62146871E+03 E0= 0.64995600E+03 EK= 0.44034E+02 SP= 0.10E+02 SK= 0.87E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335549309979E+03 -0.74902E+00 -0.15428E-01 9024 0.219E+01 0.417E-01 RMM: 2 -0.335595527341E+03 -0.46217E-01 -0.14970E-01 5309 0.825E-01 0.223E+00 RMM: 3 -0.335560808668E+03 0.34719E-01 -0.21031E-02 5350 0.354E-01 0.431E-01 RMM: 4 -0.335559489685E+03 0.13190E-02 -0.26438E-03 5048 0.999E-02 0.127E-01 RMM: 5 -0.335559418033E+03 0.71652E-04 -0.26446E-04 4112 0.353E-02 0.107E-01 RMM: 6 -0.335559366340E+03 0.51694E-04 -0.34617E-05 2842 0.172E-02 0.794E-02 RMM: 7 -0.335559384599E+03 -0.18260E-04 -0.42568E-05 3083 0.190E-02 6353 T= 5495. E= 0.67563438E+03 F= 0.62070960E+03 E0= 0.64917865E+03 EK= 0.44750E+02 SP= 0.10E+02 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336327098413E+03 -0.76773E+00 -0.18235E-01 9008 0.220E+01 0.459E-01 RMM: 2 -0.336388867875E+03 -0.61769E-01 -0.18234E-01 5086 0.892E-01 0.259E+00 RMM: 3 -0.336341142845E+03 0.47725E-01 -0.25444E-02 5361 0.381E-01 0.465E-01 RMM: 4 -0.336339598834E+03 0.15440E-02 -0.34535E-03 5371 0.119E-01 0.156E-01 RMM: 5 -0.336339599164E+03 -0.33011E-06 -0.44674E-04 3935 0.462E-02 0.169E-01 RMM: 6 -0.336339417744E+03 0.18142E-03 -0.11981E-04 3848 0.305E-02 0.592E-02 RMM: 7 -0.336339426751E+03 -0.90068E-05 -0.35004E-05 2968 0.162E-02 6354 T= 5590. E= 0.67563118E+03 F= 0.61992956E+03 E0= 0.64837915E+03 EK= 0.45522E+02 SP= 0.10E+02 SK= 0.24E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.337089193270E+03 -0.74978E+00 -0.21437E-01 9096 0.222E+01 0.314E-01 RMM: 2 -0.337126833233E+03 -0.37640E-01 -0.18851E-01 5359 0.861E-01 0.173E+00 RMM: 3 -0.337104714802E+03 0.22118E-01 -0.16999E-02 5408 0.291E-01 0.324E-01 RMM: 4 -0.337103959024E+03 0.75578E-03 -0.19628E-03 5050 0.836E-02 0.111E-01 RMM: 5 -0.337103885551E+03 0.73473E-04 -0.19497E-04 4022 0.327E-02 0.913E-02 RMM: 6 -0.337103845625E+03 0.39926E-04 -0.32460E-05 2831 0.168E-02 0.667E-02 RMM: 7 -0.337103858498E+03 -0.12873E-04 -0.32003E-05 2684 0.167E-02 6355 T= 5687. E= 0.67562917E+03 F= 0.61916513E+03 E0= 0.64759366E+03 EK= 0.46309E+02 SP= 0.10E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337821128467E+03 -0.71728E+00 -0.24391E-01 9032 0.223E+01 0.226E-01 RMM: 2 -0.337848986822E+03 -0.27858E-01 -0.20445E-01 5517 0.900E-01 0.113E+00 RMM: 3 -0.337838598329E+03 0.10388E-01 -0.15140E-02 5638 0.247E-01 0.207E-01 RMM: 4 -0.337838191403E+03 0.40693E-03 -0.11363E-03 5061 0.665E-02 0.103E-01 RMM: 5 -0.337838142536E+03 0.48868E-04 -0.13837E-04 3977 0.286E-02 0.835E-02 RMM: 6 -0.337838107049E+03 0.35486E-04 -0.30210E-05 2773 0.164E-02 0.549E-02 RMM: 7 -0.337838122763E+03 -0.15714E-04 -0.34485E-05 2803 0.168E-02 6356 T= 5783. E= 0.67562785E+03 F= 0.61843087E+03 E0= 0.64683844E+03 EK= 0.47094E+02 SP= 0.10E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338520873178E+03 -0.68277E+00 -0.26311E-01 8920 0.224E+01 0.200E-01 RMM: 2 -0.338544979962E+03 -0.24107E-01 -0.20494E-01 5750 0.893E-01 0.829E-01 RMM: 3 -0.338538707647E+03 0.62723E-02 -0.11798E-02 5668 0.223E-01 0.182E-01 RMM: 4 -0.338538468100E+03 0.23955E-03 -0.86657E-04 4933 0.614E-02 0.125E-01 RMM: 5 -0.338538376502E+03 0.91599E-04 -0.12839E-04 3884 0.289E-02 0.847E-02 RMM: 6 -0.338538340816E+03 0.35686E-04 -0.37251E-05 2980 0.180E-02 0.546E-02 RMM: 7 -0.338538363970E+03 -0.23154E-04 -0.61677E-05 3373 0.204E-02 0.876E-02 RMM: 8 -0.338538316267E+03 0.47703E-04 -0.51116E-05 3001 0.185E-02 0.277E-02 RMM: 9 -0.338538315435E+03 0.83253E-06 -0.15129E-05 2476 0.112E-02 6357 T= 5879. E= 0.67562682E+03 F= 0.61773067E+03 E0= 0.64611689E+03 EK= 0.47872E+02 SP= 0.10E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339179998614E+03 -0.64168E+00 -0.25913E-01 8880 0.225E+01 0.192E-01 RMM: 2 -0.339202983371E+03 -0.22985E-01 -0.20468E-01 5810 0.883E-01 0.724E-01 RMM: 3 -0.339197804875E+03 0.51785E-02 -0.11583E-02 5848 0.209E-01 0.118E-01 RMM: 4 -0.339197707377E+03 0.97498E-04 -0.72915E-04 4772 0.586E-02 0.168E-01 RMM: 5 -0.339197523416E+03 0.18396E-03 -0.13916E-04 3868 0.314E-02 0.651E-02 RMM: 6 -0.339197503620E+03 0.19796E-04 -0.33945E-05 2907 0.171E-02 6358 T= 5972. E= 0.67562462E+03 F= 0.61707149E+03 E0= 0.64543720E+03 EK= 0.48630E+02 SP= 0.99E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339779526250E+03 -0.58200E+00 -0.24685E-01 8848 0.227E+01 0.267E-01 RMM: 2 -0.339811847568E+03 -0.32321E-01 -0.20211E-01 5558 0.894E-01 0.140E+00 RMM: 3 -0.339796500172E+03 0.15347E-01 -0.14350E-02 5490 0.258E-01 0.229E-01 RMM: 4 -0.339796107553E+03 0.39262E-03 -0.13255E-03 5104 0.698E-02 0.103E-01 RMM: 5 -0.339796066398E+03 0.41154E-04 -0.14856E-04 3920 0.304E-02 0.959E-02 RMM: 6 -0.339796018285E+03 0.48113E-04 -0.39167E-05 2982 0.179E-02 0.645E-02 RMM: 7 -0.339796073548E+03 -0.55263E-04 -0.94738E-05 3817 0.255E-02 0.114E-01 RMM: 8 -0.339795993384E+03 0.80164E-04 -0.88269E-05 3794 0.219E-02 0.395E-02 RMM: 9 -0.339795984828E+03 0.85565E-05 -0.13074E-05 2510 0.103E-02 6359 T= 6060. E= 0.67562149E+03 F= 0.61647300E+03 E0= 0.64481996E+03 EK= 0.49346E+02 SP= 0.98E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340283804963E+03 -0.48781E+00 -0.22371E-01 8888 0.229E+01 0.260E-01 RMM: 2 -0.340313693049E+03 -0.29888E-01 -0.19867E-01 5505 0.864E-01 0.127E+00 RMM: 3 -0.340300314998E+03 0.13378E-01 -0.13001E-02 5496 0.246E-01 0.207E-01 RMM: 4 -0.340300189113E+03 0.12588E-03 -0.14239E-03 4777 0.817E-02 0.193E-01 RMM: 5 -0.340300029479E+03 0.15963E-03 -0.23656E-04 3888 0.385E-02 0.133E-01 RMM: 6 -0.340299906452E+03 0.12303E-03 -0.85118E-05 3580 0.265E-02 0.322E-02 RMM: 7 -0.340299922627E+03 -0.16174E-04 -0.32267E-05 2773 0.165E-02 6360 T= 6138. E= 0.67561759E+03 F= 0.61596907E+03 E0= 0.64429822E+03 EK= 0.49985E+02 SP= 0.96E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340648936322E+03 -0.34903E+00 -0.20895E-01 8904 0.230E+01 0.201E-01 RMM: 2 -0.340672348798E+03 -0.23412E-01 -0.19136E-01 5446 0.879E-01 0.893E-01 RMM: 3 -0.340665336107E+03 0.70127E-02 -0.13628E-02 5938 0.224E-01 0.164E-01 RMM: 4 -0.340665030267E+03 0.30584E-03 -0.82490E-04 4824 0.618E-02 0.113E-01 RMM: 5 -0.340664957937E+03 0.72330E-04 -0.12050E-04 3814 0.275E-02 0.769E-02 RMM: 6 -0.340664931264E+03 0.26673E-04 -0.28883E-05 2690 0.161E-02 0.530E-02 RMM: 7 -0.340664947123E+03 -0.15858E-04 -0.64370E-05 3401 0.207E-02 6361 T= 6201. E= 0.67561357E+03 F= 0.61560404E+03 E0= 0.64391680E+03 EK= 0.50499E+02 SP= 0.95E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340833822487E+03 -0.16889E+00 -0.18853E-01 9008 0.232E+01 0.166E-01 RMM: 2 -0.340852400277E+03 -0.18578E-01 -0.17179E-01 5753 0.801E-01 0.596E-01 RMM: 3 -0.340848266090E+03 0.41342E-02 -0.10100E-02 6068 0.188E-01 0.138E-01 RMM: 4 -0.340848111371E+03 0.15472E-03 -0.60683E-04 4554 0.543E-02 0.141E-01 RMM: 5 -0.340847970032E+03 0.14134E-03 -0.10328E-04 3737 0.273E-02 0.609E-02 RMM: 6 -0.340847957200E+03 0.12832E-04 -0.25586E-05 2663 0.150E-02 6362 T= 6244. E= 0.67561067E+03 F= 0.61542103E+03 E0= 0.64371794E+03 EK= 0.50845E+02 SP= 0.93E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340805735161E+03 0.42235E-01 -0.18717E-01 8816 0.233E+01 0.237E-01 RMM: 2 -0.340834125276E+03 -0.28390E-01 -0.18727E-01 5345 0.887E-01 0.126E+00 RMM: 3 -0.340821441190E+03 0.12684E-01 -0.15032E-02 5601 0.252E-01 0.164E-01 RMM: 4 -0.340821200509E+03 0.24068E-03 -0.11988E-03 5348 0.649E-02 0.111E-01 RMM: 5 -0.340821113608E+03 0.86901E-04 -0.11169E-04 4063 0.265E-02 0.765E-02 RMM: 6 -0.340821097445E+03 0.16163E-04 -0.30332E-05 2697 0.164E-02 6363 T= 6262. E= 0.67560951E+03 F= 0.61544789E+03 E0= 0.64372960E+03 EK= 0.50993E+02 SP= 0.91E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340566642329E+03 0.25447E+00 -0.16671E-01 8992 0.233E+01 0.341E-01 RMM: 2 -0.340603042344E+03 -0.36400E-01 -0.16635E-01 5304 0.843E-01 0.178E+00 RMM: 3 -0.340579958011E+03 0.23084E-01 -0.17360E-02 5392 0.300E-01 0.370E-01 RMM: 4 -0.340578984395E+03 0.97362E-03 -0.20317E-03 4841 0.912E-02 0.105E-01 RMM: 5 -0.340578965843E+03 0.18552E-04 -0.23191E-04 4027 0.351E-02 0.106E-01 RMM: 6 -0.340578897693E+03 0.68150E-04 -0.40703E-05 2986 0.185E-02 0.598E-02 RMM: 7 -0.340578920851E+03 -0.23158E-04 -0.39368E-05 2992 0.185E-02 0.856E-02 RMM: 8 -0.340578882597E+03 0.38253E-04 -0.92233E-05 3873 0.222E-02 0.433E-02 RMM: 9 -0.340578874371E+03 0.82268E-05 -0.16716E-05 2560 0.114E-02 6364 T= 6255. E= 0.67561044E+03 F= 0.61569011E+03 E0= 0.64395726E+03 EK= 0.50937E+02 SP= 0.89E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340127956314E+03 0.45093E+00 -0.16512E-01 8800 0.233E+01 0.343E-01 RMM: 2 -0.340163311589E+03 -0.35355E-01 -0.17223E-01 5138 0.878E-01 0.171E+00 RMM: 3 -0.340141690933E+03 0.21621E-01 -0.17820E-02 5450 0.294E-01 0.338E-01 RMM: 4 -0.340140901288E+03 0.78965E-03 -0.21009E-03 4899 0.970E-02 0.141E-01 RMM: 5 -0.340140930835E+03 -0.29547E-04 -0.29695E-04 3930 0.398E-02 0.160E-01 RMM: 6 -0.340140758092E+03 0.17274E-03 -0.91418E-05 3659 0.271E-02 0.391E-02 RMM: 7 -0.340140769509E+03 -0.11417E-04 -0.27483E-05 2688 0.153E-02 6365 T= 6225. E= 0.67561335E+03 F= 0.61612822E+03 E0= 0.64438145E+03 EK= 0.50695E+02 SP= 0.87E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339537750947E+03 0.60301E+00 -0.15831E-01 8944 0.233E+01 0.193E-01 RMM: 2 -0.339557396927E+03 -0.19646E-01 -0.14642E-01 5538 0.788E-01 0.949E-01 RMM: 3 -0.339549840300E+03 0.75566E-02 -0.10213E-02 5681 0.207E-01 0.202E-01 RMM: 4 -0.339549500157E+03 0.34014E-03 -0.80070E-04 4782 0.601E-02 0.873E-02 RMM: 5 -0.339549456441E+03 0.43716E-04 -0.95258E-05 3841 0.238E-02 0.680E-02 RMM: 6 -0.339549440054E+03 0.16387E-04 -0.21893E-05 2565 0.143E-02 6366 T= 6178. E= 0.67561711E+03 F= 0.61671955E+03 E0= 0.64495998E+03 EK= 0.50309E+02 SP= 0.85E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338849599368E+03 0.69986E+00 -0.14873E-01 8480 0.231E+01 0.279E-01 RMM: 2 -0.338879781887E+03 -0.30183E-01 -0.15315E-01 5123 0.842E-01 0.155E+00 RMM: 3 -0.338862147316E+03 0.17635E-01 -0.15510E-02 5434 0.278E-01 0.287E-01 RMM: 4 -0.338861541256E+03 0.60606E-03 -0.15307E-03 4989 0.770E-02 0.984E-02 RMM: 5 -0.338861484474E+03 0.56782E-04 -0.15014E-04 3915 0.303E-02 0.893E-02 RMM: 6 -0.338861448225E+03 0.36250E-04 -0.31953E-05 2714 0.167E-02 0.684E-02 RMM: 7 -0.338861477446E+03 -0.29222E-04 -0.59933E-05 3363 0.209E-02 0.104E-01 RMM: 8 -0.338861405420E+03 0.72026E-04 -0.13316E-04 3887 0.243E-02 0.436E-02 RMM: 9 -0.338861395460E+03 0.99597E-05 -0.20389E-05 2577 0.127E-02 6367 T= 6120. E= 0.67562147E+03 F= 0.61740759E+03 E0= 0.64563679E+03 EK= 0.49838E+02 SP= 0.83E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338126959134E+03 0.73445E+00 -0.13421E-01 8240 0.230E+01 0.324E-01 RMM: 2 -0.338158475051E+03 -0.31516E-01 -0.13669E-01 5059 0.816E-01 0.171E+00 RMM: 3 -0.338137620151E+03 0.20855E-01 -0.15482E-02 5446 0.279E-01 0.289E-01 RMM: 4 -0.338137122778E+03 0.49737E-03 -0.18506E-03 4879 0.931E-02 0.169E-01 RMM: 5 -0.338137053582E+03 0.69195E-04 -0.27670E-04 3917 0.403E-02 0.146E-01 RMM: 6 -0.338136916971E+03 0.13661E-03 -0.83784E-05 3589 0.266E-02 0.433E-02 RMM: 7 -0.338136923164E+03 -0.61922E-05 -0.27165E-05 2667 0.154E-02 6368 T= 6059. E= 0.67562620E+03 F= 0.61813207E+03 E0= 0.64635238E+03 EK= 0.49342E+02 SP= 0.80E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337422596107E+03 0.71432E+00 -0.12489E-01 8280 0.229E+01 0.196E-01 RMM: 2 -0.337440680307E+03 -0.18084E-01 -0.11536E-01 5322 0.722E-01 0.106E+00 RMM: 3 -0.337431857525E+03 0.88228E-02 -0.92441E-03 5547 0.204E-01 0.180E-01 RMM: 4 -0.337431608718E+03 0.24881E-03 -0.77829E-04 4770 0.586E-02 0.875E-02 RMM: 5 -0.337431573121E+03 0.35598E-04 -0.90066E-05 3778 0.234E-02 0.738E-02 RMM: 6 -0.337431547005E+03 0.26116E-04 -0.22821E-05 2576 0.146E-02 0.496E-02 RMM: 7 -0.337431565048E+03 -0.18043E-04 -0.45137E-05 3061 0.182E-02 6369 T= 6002. E= 0.67562936E+03 F= 0.61883742E+03 E0= 0.64705086E+03 EK= 0.48877E+02 SP= 0.78E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336780196649E+03 0.65135E+00 -0.12353E-01 8048 0.228E+01 0.202E-01 RMM: 2 -0.336796514437E+03 -0.16318E-01 -0.11219E-01 5055 0.745E-01 0.970E-01 RMM: 3 -0.336789340617E+03 0.71738E-02 -0.10766E-02 5660 0.219E-01 0.167E-01 RMM: 4 -0.336789136866E+03 0.20375E-03 -0.77991E-04 4756 0.603E-02 0.108E-01 RMM: 5 -0.336789067350E+03 0.69516E-04 -0.10384E-04 3748 0.264E-02 0.751E-02 RMM: 6 -0.336789034914E+03 0.32436E-04 -0.25724E-05 2623 0.155E-02 0.407E-02 RMM: 7 -0.336789037592E+03 -0.26778E-05 -0.20569E-05 2521 0.141E-02 6370 T= 5954. E= 0.67563154E+03 F= 0.61947995E+03 E0= 0.64768922E+03 EK= 0.48489E+02 SP= 0.75E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336231967074E+03 0.55707E+00 -0.11952E-01 8024 0.228E+01 0.167E-01 RMM: 2 -0.336246422293E+03 -0.14455E-01 -0.11122E-01 5121 0.731E-01 0.794E-01 RMM: 3 -0.336241231993E+03 0.51903E-02 -0.97853E-03 5776 0.201E-01 0.162E-01 RMM: 4 -0.336241009531E+03 0.22246E-03 -0.62424E-04 4688 0.562E-02 0.969E-02 RMM: 5 -0.336240956298E+03 0.53233E-04 -0.83076E-05 3583 0.240E-02 0.717E-02 RMM: 6 -0.336240932833E+03 0.23465E-04 -0.22384E-05 2557 0.146E-02 0.487E-02 RMM: 7 -0.336240938460E+03 -0.56272E-05 -0.34900E-05 2771 0.173E-02 6371 T= 5920. E= 0.67563305E+03 F= 0.62002805E+03 E0= 0.64823444E+03 EK= 0.48212E+02 SP= 0.72E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335796260940E+03 0.44467E+00 -0.11815E-01 8128 0.227E+01 0.179E-01 RMM: 2 -0.335809539362E+03 -0.13278E-01 -0.10948E-01 5028 0.747E-01 0.723E-01 RMM: 3 -0.335805401341E+03 0.41380E-02 -0.10774E-02 5943 0.206E-01 0.143E-01 RMM: 4 -0.335805212863E+03 0.18848E-03 -0.61592E-04 4676 0.566E-02 0.115E-01 RMM: 5 -0.335805131368E+03 0.81495E-04 -0.91143E-05 3591 0.256E-02 0.672E-02 RMM: 6 -0.335805110827E+03 0.20541E-04 -0.23191E-05 2561 0.149E-02 0.422E-02 RMM: 7 -0.335805116035E+03 -0.52079E-05 -0.21792E-05 2529 0.144E-02 6372 T= 5902. E= 0.67563322E+03 F= 0.62046387E+03 E0= 0.64866729E+03 EK= 0.48065E+02 SP= 0.69E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335471186857E+03 0.33392E+00 -0.12434E-01 7944 0.227E+01 0.146E-01 RMM: 2 -0.335485008157E+03 -0.13821E-01 -0.12669E-01 4919 0.811E-01 0.559E-01 RMM: 3 -0.335482339848E+03 0.26683E-02 -0.12999E-02 6099 0.216E-01 0.135E-01 RMM: 4 -0.335482083392E+03 0.25646E-03 -0.53260E-04 4617 0.557E-02 0.111E-01 RMM: 5 -0.335482000578E+03 0.82814E-04 -0.81449E-05 3493 0.273E-02 0.599E-02 RMM: 6 -0.335481988790E+03 0.11787E-04 -0.23133E-05 2538 0.144E-02 6373 T= 5901. E= 0.67563217E+03 F= 0.62078700E+03 E0= 0.64898575E+03 EK= 0.48051E+02 SP= 0.65E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335242370382E+03 0.23963E+00 -0.12552E-01 8120 0.227E+01 0.240E-01 RMM: 2 -0.335264253802E+03 -0.21883E-01 -0.12739E-01 4961 0.820E-01 0.125E+00 RMM: 3 -0.335253055673E+03 0.11198E-01 -0.14209E-02 5603 0.255E-01 0.240E-01 RMM: 4 -0.335252573319E+03 0.48235E-03 -0.10708E-03 4815 0.689E-02 0.890E-02 RMM: 5 -0.335252534537E+03 0.38782E-04 -0.12602E-04 3912 0.290E-02 0.789E-02 RMM: 6 -0.335252510027E+03 0.24510E-04 -0.25122E-05 2578 0.148E-02 0.643E-02 RMM: 7 -0.335252525372E+03 -0.15345E-04 -0.38589E-05 2945 0.185E-02 6374 T= 5913. E= 0.67562987E+03 F= 0.62101646E+03 E0= 0.64920818E+03 EK= 0.48149E+02 SP= 0.62E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335073184936E+03 0.17933E+00 -0.13005E-01 8048 0.228E+01 0.234E-01 RMM: 2 -0.335094398509E+03 -0.21214E-01 -0.13794E-01 5026 0.834E-01 0.114E+00 RMM: 3 -0.335084650740E+03 0.97478E-02 -0.14444E-02 5620 0.253E-01 0.221E-01 RMM: 4 -0.335084307589E+03 0.34315E-03 -0.12065E-03 4736 0.766E-02 0.139E-01 RMM: 5 -0.335084232070E+03 0.75519E-04 -0.18165E-04 3913 0.352E-02 0.102E-01 RMM: 6 -0.335084167268E+03 0.64803E-04 -0.43936E-05 3094 0.201E-02 0.390E-02 RMM: 7 -0.335084172341E+03 -0.50733E-05 -0.19840E-05 2539 0.139E-02 6375 T= 5935. E= 0.67562755E+03 F= 0.62118482E+03 E0= 0.64936570E+03 EK= 0.48330E+02 SP= 0.58E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334929705720E+03 0.15446E+00 -0.13740E-01 8472 0.229E+01 0.251E-01 RMM: 2 -0.334955041536E+03 -0.25336E-01 -0.16136E-01 5006 0.900E-01 0.127E+00 RMM: 3 -0.334943213034E+03 0.11829E-01 -0.17318E-02 5637 0.275E-01 0.227E-01 RMM: 4 -0.334942740341E+03 0.47269E-03 -0.12481E-03 4997 0.726E-02 0.108E-01 RMM: 5 -0.334942673228E+03 0.67113E-04 -0.14449E-04 3907 0.314E-02 0.865E-02 RMM: 6 -0.334942637632E+03 0.35596E-04 -0.31700E-05 2734 0.167E-02 0.643E-02 RMM: 7 -0.334942638998E+03 -0.13658E-05 -0.34959E-05 2676 0.172E-02 6376 T= 5963. E= 0.67562634E+03 F= 0.62132635E+03 E0= 0.64949430E+03 EK= 0.48561E+02 SP= 0.54E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334794228622E+03 0.14841E+00 -0.14437E-01 8376 0.229E+01 0.209E-01 RMM: 2 -0.334817088847E+03 -0.22860E-01 -0.17395E-01 5071 0.921E-01 0.992E-01 RMM: 3 -0.334809210708E+03 0.78781E-02 -0.17345E-02 5827 0.260E-01 0.172E-01 RMM: 4 -0.334808851316E+03 0.35939E-03 -0.97727E-04 4887 0.679E-02 0.118E-01 RMM: 5 -0.334808769516E+03 0.81799E-04 -0.12451E-04 3956 0.294E-02 0.763E-02 RMM: 6 -0.334808746476E+03 0.23040E-04 -0.25806E-05 2569 0.152E-02 0.580E-02 RMM: 7 -0.334808751269E+03 -0.47931E-05 -0.33317E-05 2723 0.164E-02 6377 T= 5995. E= 0.67562623E+03 F= 0.62146024E+03 E0= 0.64961389E+03 EK= 0.48821E+02 SP= 0.50E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334668483853E+03 0.14026E+00 -0.15714E-01 8552 0.229E+01 0.210E-01 RMM: 2 -0.334693077390E+03 -0.24594E-01 -0.20018E-01 5034 0.978E-01 0.928E-01 RMM: 3 -0.334685841482E+03 0.72359E-02 -0.19873E-02 5922 0.270E-01 0.172E-01 RMM: 4 -0.334685428844E+03 0.41264E-03 -0.10320E-03 4924 0.713E-02 0.129E-01 RMM: 5 -0.334685328888E+03 0.99956E-04 -0.13729E-04 3936 0.308E-02 0.808E-02 RMM: 6 -0.334685302781E+03 0.26107E-04 -0.30791E-05 2692 0.166E-02 0.628E-02 RMM: 7 -0.334685305438E+03 -0.26569E-05 -0.37988E-05 2731 0.175E-02 6378 T= 6031. E= 0.67562723E+03 F= 0.62158368E+03 E0= 0.64972341E+03 EK= 0.49112E+02 SP= 0.45E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334572781732E+03 0.11252E+00 -0.16376E-01 8792 0.228E+01 0.195E-01 RMM: 2 -0.334595222948E+03 -0.22441E-01 -0.18588E-01 5068 0.947E-01 0.858E-01 RMM: 3 -0.334588830201E+03 0.63927E-02 -0.17085E-02 5868 0.261E-01 0.174E-01 RMM: 4 -0.334588470773E+03 0.35943E-03 -0.90923E-04 4873 0.666E-02 0.112E-01 RMM: 5 -0.334588400376E+03 0.70397E-04 -0.11739E-04 3906 0.296E-02 0.784E-02 RMM: 6 -0.334588379232E+03 0.21144E-04 -0.26229E-05 2575 0.153E-02 0.620E-02 RMM: 7 -0.334588387729E+03 -0.84969E-05 -0.37306E-05 2813 0.172E-02 6379 T= 6072. E= 0.67562747E+03 F= 0.62168060E+03 E0= 0.64980800E+03 EK= 0.49449E+02 SP= 0.40E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334510012736E+03 0.78366E-01 -0.17265E-01 8728 0.228E+01 0.189E-01 RMM: 2 -0.334532490327E+03 -0.22478E-01 -0.19142E-01 5225 0.941E-01 0.811E-01 RMM: 3 -0.334526352426E+03 0.61379E-02 -0.15606E-02 5762 0.257E-01 0.148E-01 RMM: 4 -0.334526113957E+03 0.23847E-03 -0.89416E-04 4902 0.653E-02 0.123E-01 RMM: 5 -0.334526019879E+03 0.94077E-04 -0.11515E-04 3779 0.304E-02 0.700E-02 RMM: 6 -0.334526002147E+03 0.17732E-04 -0.29586E-05 2631 0.162E-02 6380 T= 6120. E= 0.67562599E+03 F= 0.62174299E+03 E0= 0.64986153E+03 EK= 0.49837E+02 SP= 0.36E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334467727452E+03 0.58292E-01 -0.18455E-01 8744 0.228E+01 0.212E-01 RMM: 2 -0.334493013147E+03 -0.25286E-01 -0.17792E-01 5912 0.881E-01 0.113E+00 RMM: 3 -0.334483018023E+03 0.99951E-02 -0.11326E-02 5422 0.250E-01 0.217E-01 RMM: 4 -0.334482717051E+03 0.30097E-03 -0.95197E-04 4887 0.636E-02 0.110E-01 RMM: 5 -0.334482651192E+03 0.65859E-04 -0.89254E-05 3779 0.268E-02 0.861E-02 RMM: 6 -0.334482641159E+03 0.10033E-04 -0.30063E-05 2610 0.164E-02 6381 T= 6172. E= 0.67562323E+03 F= 0.62178635E+03 E0= 0.64990004E+03 EK= 0.50260E+02 SP= 0.31E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334407204001E+03 0.75447E-01 -0.20456E-01 8720 0.228E+01 0.470E-01 RMM: 2 -0.334471858054E+03 -0.64654E-01 -0.21947E-01 5043 0.104E+00 0.257E+00 RMM: 3 -0.334424445868E+03 0.47412E-01 -0.28053E-02 5372 0.406E-01 0.508E-01 RMM: 4 -0.334422503219E+03 0.19426E-02 -0.36616E-03 5380 0.127E-01 0.114E-01 RMM: 5 -0.334422479470E+03 0.23748E-04 -0.48234E-04 5021 0.352E-02 0.111E-01 RMM: 6 -0.334422414391E+03 0.65079E-04 -0.34835E-05 2887 0.181E-02 0.786E-02 RMM: 7 -0.334422445373E+03 -0.30982E-04 -0.48827E-05 3205 0.188E-02 0.104E-01 RMM: 8 -0.334422405172E+03 0.40201E-04 -0.14657E-04 3894 0.262E-02 0.629E-02 RMM: 9 -0.334422382430E+03 0.22742E-04 -0.31050E-05 2851 0.157E-02 0.250E-02 RMM: 10 -0.334422385926E+03 -0.34960E-05 -0.10899E-05 2475 0.105E-02 6382 T= 6224. E= 0.67562087E+03 F= 0.62184660E+03 E0= 0.64996083E+03 EK= 0.50683E+02 SP= 0.26E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334291721310E+03 0.13066E+00 -0.21464E-01 8776 0.229E+01 0.343E-01 RMM: 2 -0.334335794368E+03 -0.44073E-01 -0.21676E-01 6042 0.952E-01 0.185E+00 RMM: 3 -0.334309855480E+03 0.25939E-01 -0.16506E-02 5366 0.320E-01 0.291E-01 RMM: 4 -0.334309490219E+03 0.36526E-03 -0.22099E-03 5300 0.104E-01 0.215E-01 RMM: 5 -0.334309312672E+03 0.17755E-03 -0.35651E-04 4012 0.476E-02 0.147E-01 RMM: 6 -0.334309179247E+03 0.13343E-03 -0.97263E-05 3758 0.282E-02 0.579E-02 RMM: 7 -0.334309213475E+03 -0.34228E-04 -0.48414E-05 3187 0.195E-02 0.867E-02 RMM: 8 -0.334309176942E+03 0.36532E-04 -0.39866E-05 2867 0.185E-02 0.331E-02 RMM: 9 -0.334309176536E+03 0.40638E-06 -0.15744E-05 2497 0.118E-02 6383 T= 6271. E= 0.67561978E+03 F= 0.62195981E+03 E0= 0.65007818E+03 EK= 0.51068E+02 SP= 0.20E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334098692949E+03 0.21048E+00 -0.23465E-01 8752 0.229E+01 0.217E-01 RMM: 2 -0.334126181399E+03 -0.27488E-01 -0.22460E-01 6166 0.960E-01 0.959E-01 RMM: 3 -0.334118232783E+03 0.79486E-02 -0.11219E-02 5537 0.240E-01 0.207E-01 RMM: 4 -0.334117945334E+03 0.28745E-03 -0.95820E-04 4857 0.649E-02 0.112E-01 RMM: 5 -0.334117863854E+03 0.81479E-04 -0.11222E-04 3928 0.272E-02 0.791E-02 RMM: 6 -0.334117842075E+03 0.21780E-04 -0.25693E-05 2617 0.156E-02 0.636E-02 RMM: 7 -0.334117850929E+03 -0.88542E-05 -0.36760E-05 2755 0.171E-02 6384 T= 6310. E= 0.67561891E+03 F= 0.62215114E+03 E0= 0.65027630E+03 EK= 0.51387E+02 SP= 0.15E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333816683513E+03 0.30116E+00 -0.26235E-01 8920 0.229E+01 0.210E-01 RMM: 2 -0.333845813741E+03 -0.29130E-01 -0.24793E-01 6065 0.990E-01 0.923E-01 RMM: 3 -0.333838052183E+03 0.77616E-02 -0.13475E-02 5646 0.248E-01 0.215E-01 RMM: 4 -0.333837685791E+03 0.36639E-03 -0.95403E-04 5011 0.632E-02 0.106E-01 RMM: 5 -0.333837623103E+03 0.62688E-04 -0.96208E-05 3936 0.255E-02 0.838E-02 RMM: 6 -0.333837610006E+03 0.13097E-04 -0.23707E-05 2561 0.149E-02 6385 T= 6340. E= 0.67561905E+03 F= 0.62243138E+03 E0= 0.65056514E+03 EK= 0.51628E+02 SP= 0.98E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333449208531E+03 0.38841E+00 -0.31196E-01 8904 0.228E+01 0.307E-01 RMM: 2 -0.333491369608E+03 -0.42161E-01 -0.28301E-01 5721 0.106E+00 0.152E+00 RMM: 3 -0.333472653271E+03 0.18716E-01 -0.19566E-02 5469 0.310E-01 0.255E-01 RMM: 4 -0.333472178283E+03 0.47499E-03 -0.18824E-03 5353 0.792E-02 0.129E-01 RMM: 5 -0.333472083344E+03 0.94939E-04 -0.14927E-04 4325 0.309E-02 0.979E-02 RMM: 6 -0.333472063654E+03 0.19690E-04 -0.30016E-05 2630 0.162E-02 6386 T= 6360. E= 0.67561939E+03 F= 0.62279693E+03 E0= 0.65094053E+03 EK= 0.51792E+02 SP= 0.43E+00 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333003770426E+03 0.46831E+00 -0.35484E-01 8864 0.228E+01 0.494E-01 RMM: 2 -0.333085451820E+03 -0.81681E-01 -0.30636E-01 5347 0.111E+00 0.280E+00 RMM: 3 -0.333027558066E+03 0.57894E-01 -0.32349E-02 5376 0.424E-01 0.503E-01 RMM: 4 -0.333025689048E+03 0.18690E-02 -0.40673E-03 5442 0.127E-01 0.132E-01 RMM: 5 -0.333025645369E+03 0.43680E-04 -0.49997E-04 5073 0.370E-02 0.127E-01 RMM: 6 -0.333025561400E+03 0.83968E-04 -0.41703E-05 3003 0.188E-02 0.882E-02 RMM: 7 -0.333025637340E+03 -0.75940E-04 -0.11435E-04 3875 0.275E-02 0.137E-01 RMM: 8 -0.333025540217E+03 0.97123E-04 -0.15609E-04 3895 0.276E-02 0.673E-02 RMM: 9 -0.333025517408E+03 0.22809E-04 -0.33964E-05 2917 0.161E-02 0.339E-02 RMM: 10 -0.333025521582E+03 -0.41736E-05 -0.15181E-05 2502 0.122E-02 6387 T= 6371. E= 0.67561960E+03 F= 0.62324347E+03 E0= 0.65139935E+03 EK= 0.51882E+02 SP= -.11E+00 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332477202367E+03 0.54832E+00 -0.41222E-01 8824 0.228E+01 0.393E-01 RMM: 2 -0.332531137110E+03 -0.53935E-01 -0.30538E-01 5967 0.105E+00 0.191E+00 RMM: 3 -0.332502359734E+03 0.28777E-01 -0.20082E-02 5370 0.333E-01 0.369E-01 RMM: 4 -0.332501712273E+03 0.64746E-03 -0.30337E-03 5318 0.120E-01 0.231E-01 RMM: 5 -0.332501579702E+03 0.13257E-03 -0.47372E-04 4165 0.521E-02 0.195E-01 RMM: 6 -0.332501326697E+03 0.25300E-03 -0.14419E-04 3875 0.332E-02 0.488E-02 RMM: 7 -0.332501382786E+03 -0.56089E-04 -0.67846E-05 3440 0.217E-02 0.101E-01 RMM: 8 -0.332501329762E+03 0.53023E-04 -0.42054E-05 3057 0.202E-02 0.360E-02 RMM: 9 -0.332501326328E+03 0.34343E-05 -0.14358E-05 2488 0.109E-02 6388 T= 6373. E= 0.67561993E+03 F= 0.62376766E+03 E0= 0.65193804E+03 EK= 0.51899E+02 SP= -.66E+00 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331877644375E+03 0.62369E+00 -0.47160E-01 8832 0.228E+01 0.245E-01 RMM: 2 -0.331915459072E+03 -0.37815E-01 -0.30299E-01 6359 0.104E+00 0.115E+00 RMM: 3 -0.331903718660E+03 0.11740E-01 -0.13306E-02 5562 0.246E-01 0.209E-01 RMM: 4 -0.331903384919E+03 0.33374E-03 -0.11611E-03 4872 0.694E-02 0.128E-01 RMM: 5 -0.331903282571E+03 0.10235E-03 -0.15580E-04 4038 0.299E-02 0.880E-02 RMM: 6 -0.331903249189E+03 0.33383E-04 -0.37037E-05 2961 0.182E-02 0.632E-02 RMM: 7 -0.331903258494E+03 -0.93049E-05 -0.59145E-05 3362 0.205E-02 6389 T= 6367. E= 0.67561982E+03 F= 0.62436573E+03 E0= 0.65255481E+03 EK= 0.51847E+02 SP= -.12E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331208263345E+03 0.69499E+00 -0.51718E-01 8824 0.228E+01 0.201E-01 RMM: 2 -0.331241510662E+03 -0.33247E-01 -0.30180E-01 6631 0.104E+00 0.789E-01 RMM: 3 -0.331235002984E+03 0.65077E-02 -0.11325E-02 5590 0.220E-01 0.170E-01 RMM: 4 -0.331234795341E+03 0.20764E-03 -0.84870E-04 4980 0.578E-02 0.131E-01 RMM: 5 -0.331234686033E+03 0.10931E-03 -0.11250E-04 3859 0.275E-02 0.740E-02 RMM: 6 -0.331234687082E+03 -0.10497E-05 -0.36052E-05 2946 0.172E-02 6390 T= 6352. E= 0.67561968E+03 F= 0.62503430E+03 E0= 0.65324670E+03 EK= 0.51728E+02 SP= -.18E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330474394223E+03 0.76029E+00 -0.54984E-01 8816 0.229E+01 0.279E-01 RMM: 2 -0.330520419536E+03 -0.46025E-01 -0.31320E-01 6477 0.107E+00 0.152E+00 RMM: 3 -0.330501984863E+03 0.18435E-01 -0.15633E-02 5428 0.284E-01 0.243E-01 RMM: 4 -0.330501619592E+03 0.36527E-03 -0.15541E-03 4977 0.780E-02 0.140E-01 RMM: 5 -0.330501515194E+03 0.10440E-03 -0.18615E-04 4120 0.323E-02 0.955E-02 RMM: 6 -0.330501479062E+03 0.36132E-04 -0.41840E-05 3026 0.191E-02 0.710E-02 RMM: 7 -0.330501513299E+03 -0.34237E-04 -0.65344E-05 3518 0.221E-02 0.100E-01 RMM: 8 -0.330501451821E+03 0.61478E-04 -0.70556E-05 3632 0.206E-02 0.402E-02 RMM: 9 -0.330501452059E+03 -0.23788E-06 -0.21591E-05 2581 0.131E-02 6391 T= 6330. E= 0.67562019E+03 F= 0.62576754E+03 E0= 0.65400729E+03 EK= 0.51549E+02 SP= -.24E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329689438254E+03 0.81201E+00 -0.56207E-01 8832 0.229E+01 0.343E-01 RMM: 2 -0.329739563236E+03 -0.50125E-01 -0.32553E-01 5735 0.112E+00 0.169E+00 RMM: 3 -0.329717251257E+03 0.22312E-01 -0.20322E-02 5462 0.314E-01 0.316E-01 RMM: 4 -0.329716648231E+03 0.60303E-03 -0.23237E-03 5190 0.102E-01 0.175E-01 RMM: 5 -0.329716555312E+03 0.92919E-04 -0.34242E-04 3994 0.412E-02 0.145E-01 RMM: 6 -0.329716424196E+03 0.13112E-03 -0.93996E-05 3668 0.268E-02 0.492E-02 RMM: 7 -0.329716453257E+03 -0.29061E-04 -0.45891E-05 3131 0.183E-02 0.826E-02 RMM: 8 -0.329716418098E+03 0.35160E-04 -0.39693E-05 2863 0.195E-02 0.318E-02 RMM: 9 -0.329716417729E+03 0.36841E-06 -0.14376E-05 2487 0.107E-02 6392 T= 6302. E= 0.67562117E+03 F= 0.62655257E+03 E0= 0.65482302E+03 EK= 0.51323E+02 SP= -.29E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328872207959E+03 0.84421E+00 -0.54381E-01 8824 0.230E+01 0.210E-01 RMM: 2 -0.328905430139E+03 -0.33222E-01 -0.29401E-01 6227 0.108E+00 0.836E-01 RMM: 3 -0.328899047412E+03 0.63827E-02 -0.14441E-02 5641 0.242E-01 0.182E-01 RMM: 4 -0.328898793997E+03 0.25341E-03 -0.10178E-03 4867 0.680E-02 0.144E-01 RMM: 5 -0.328898661586E+03 0.13241E-03 -0.15830E-04 3942 0.323E-02 0.770E-02 RMM: 6 -0.328898637038E+03 0.24548E-04 -0.36504E-05 2938 0.176E-02 0.594E-02 RMM: 7 -0.328898648402E+03 -0.11364E-04 -0.53179E-05 3288 0.207E-02 6393 T= 6271. E= 0.67562263E+03 F= 0.62737034E+03 E0= 0.65567141E+03 EK= 0.51069E+02 SP= -.35E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328046296175E+03 0.85234E+00 -0.50403E-01 8904 0.230E+01 0.191E-01 RMM: 2 -0.328078919844E+03 -0.32624E-01 -0.29693E-01 6018 0.110E+00 0.745E-01 RMM: 3 -0.328073683411E+03 0.52364E-02 -0.18828E-02 5893 0.251E-01 0.172E-01 RMM: 4 -0.328073274217E+03 0.40919E-03 -0.98862E-04 4862 0.689E-02 0.133E-01 RMM: 5 -0.328073164793E+03 0.10942E-03 -0.15673E-04 3979 0.316E-02 0.767E-02 RMM: 6 -0.328073159541E+03 0.52520E-05 -0.41882E-05 3022 0.186E-02 6394 T= 6240. E= 0.67562386E+03 F= 0.62819583E+03 E0= 0.65652490E+03 EK= 0.50813E+02 SP= -.41E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327240989278E+03 0.83218E+00 -0.45898E-01 8896 0.231E+01 0.313E-01 RMM: 2 -0.327287092264E+03 -0.46103E-01 -0.30975E-01 5390 0.117E+00 0.157E+00 RMM: 3 -0.327268233448E+03 0.18859E-01 -0.24717E-02 5582 0.327E-01 0.303E-01 RMM: 4 -0.327267470703E+03 0.76274E-03 -0.20916E-03 5180 0.929E-02 0.121E-01 RMM: 5 -0.327267441281E+03 0.29422E-04 -0.28879E-04 4250 0.359E-02 0.118E-01 RMM: 6 -0.327267365209E+03 0.76072E-04 -0.72408E-05 3454 0.236E-02 0.651E-02 RMM: 7 -0.327267408024E+03 -0.42815E-04 -0.59071E-05 3366 0.213E-02 0.101E-01 RMM: 8 -0.327267358387E+03 0.49638E-04 -0.71298E-05 3675 0.219E-02 0.527E-02 RMM: 9 -0.327267343644E+03 0.14743E-04 -0.20994E-05 2586 0.135E-02 6395 T= 6212. E= 0.67562504E+03 F= 0.62900165E+03 E0= 0.65735254E+03 EK= 0.50583E+02 SP= -.47E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326490490758E+03 0.77687E+00 -0.36292E-01 8864 0.232E+01 0.323E-01 RMM: 2 -0.326531272335E+03 -0.40782E-01 -0.24780E-01 5491 0.101E+00 0.161E+00 RMM: 3 -0.326511453244E+03 0.19819E-01 -0.18597E-02 5449 0.298E-01 0.280E-01 RMM: 4 -0.326510988172E+03 0.46507E-03 -0.20794E-03 5048 0.948E-02 0.180E-01 RMM: 5 -0.326510883741E+03 0.10443E-03 -0.31391E-04 3920 0.414E-02 0.148E-01 RMM: 6 -0.326510743556E+03 0.14018E-03 -0.10059E-04 3738 0.282E-02 0.483E-02 RMM: 7 -0.326510773712E+03 -0.30156E-04 -0.48597E-05 3168 0.193E-02 0.840E-02 RMM: 8 -0.326510734861E+03 0.38851E-04 -0.48192E-05 2972 0.201E-02 0.349E-02 RMM: 9 -0.326510730906E+03 0.39548E-05 -0.15098E-05 2490 0.114E-02 6396 T= 6191. E= 0.67562718E+03 F= 0.62975826E+03 E0= 0.65812469E+03 EK= 0.50412E+02 SP= -.53E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325827407746E+03 0.68333E+00 -0.30099E-01 8856 0.233E+01 0.282E-01 RMM: 2 -0.325861290630E+03 -0.33883E-01 -0.21869E-01 5558 0.960E-01 0.142E+00 RMM: 3 -0.325845815052E+03 0.15476E-01 -0.15731E-02 5517 0.267E-01 0.251E-01 RMM: 4 -0.325845367448E+03 0.44760E-03 -0.15294E-03 4858 0.802E-02 0.123E-01 RMM: 5 -0.325845292206E+03 0.75243E-04 -0.20158E-04 4323 0.317E-02 0.964E-02 RMM: 6 -0.325845239791E+03 0.52415E-04 -0.44228E-05 3078 0.194E-02 0.576E-02 RMM: 7 -0.325845264634E+03 -0.24842E-04 -0.57162E-05 3346 0.209E-02 0.909E-02 RMM: 8 -0.325845214139E+03 0.50495E-04 -0.58088E-05 3279 0.204E-02 0.378E-02 RMM: 9 -0.325845207973E+03 0.61654E-05 -0.16946E-05 2503 0.119E-02 6397 T= 6182. E= 0.67563099E+03 F= 0.63042378E+03 E0= 0.65879813E+03 EK= 0.50344E+02 SP= -.59E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325320375341E+03 0.52484E+00 -0.25384E-01 8944 0.233E+01 0.272E-01 RMM: 2 -0.325348770307E+03 -0.28395E-01 -0.19822E-01 5483 0.936E-01 0.124E+00 RMM: 3 -0.325337037578E+03 0.11733E-01 -0.15011E-02 5638 0.257E-01 0.227E-01 RMM: 4 -0.325336632436E+03 0.40514E-03 -0.13280E-03 4796 0.757E-02 0.127E-01 RMM: 5 -0.325336563173E+03 0.69263E-04 -0.18577E-04 4007 0.320E-02 0.103E-01 RMM: 6 -0.325336503339E+03 0.59834E-04 -0.44977E-05 3107 0.199E-02 0.552E-02 RMM: 7 -0.325336523839E+03 -0.20500E-04 -0.37840E-05 2884 0.179E-02 0.845E-02 RMM: 8 -0.325336477900E+03 0.45939E-04 -0.66109E-05 3473 0.206E-02 0.336E-02 RMM: 9 -0.325336474559E+03 0.33418E-05 -0.16667E-05 2509 0.119E-02 6398 T= 6195. E= 0.67563608E+03 F= 0.63093251E+03 E0= 0.65930877E+03 EK= 0.50445E+02 SP= -.66E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325050323484E+03 0.28615E+00 -0.21075E-01 8944 0.234E+01 0.231E-01 RMM: 2 -0.325075777476E+03 -0.25454E-01 -0.18573E-01 5505 0.915E-01 0.111E+00 RMM: 3 -0.325066234444E+03 0.95430E-02 -0.13524E-02 5701 0.236E-01 0.204E-01 RMM: 4 -0.325065910608E+03 0.32384E-03 -0.10680E-03 4750 0.709E-02 0.131E-01 RMM: 5 -0.325065817966E+03 0.92643E-04 -0.15400E-04 3940 0.295E-02 0.854E-02 RMM: 6 -0.325065782524E+03 0.35442E-04 -0.33427E-05 2892 0.174E-02 0.571E-02 RMM: 7 -0.325065800137E+03 -0.17613E-04 -0.47829E-05 3151 0.194E-02 6399 T= 6238. E= 0.67563988E+03 F= 0.63120319E+03 E0= 0.65957643E+03 EK= 0.50797E+02 SP= -.72E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325079552777E+03 -0.13770E-01 -0.17516E-01 8736 0.235E+01 0.203E-01 RMM: 2 -0.325102928174E+03 -0.23375E-01 -0.18017E-01 5290 0.915E-01 0.980E-01 RMM: 3 -0.325095261571E+03 0.76666E-02 -0.15012E-02 5799 0.241E-01 0.196E-01 RMM: 4 -0.325094886918E+03 0.37465E-03 -0.94015E-04 4814 0.660E-02 0.104E-01 RMM: 5 -0.325094839500E+03 0.47418E-04 -0.12719E-04 4177 0.268E-02 0.862E-02 RMM: 6 -0.325094809223E+03 0.30276E-04 -0.27304E-05 2603 0.159E-02 0.607E-02 RMM: 7 -0.325094834197E+03 -0.24974E-04 -0.80762E-05 3664 0.231E-02 0.915E-02 RMM: 8 -0.325094781507E+03 0.52690E-04 -0.55421E-05 3245 0.202E-02 0.249E-02 RMM: 9 -0.325094784056E+03 -0.25482E-05 -0.14626E-05 2491 0.111E-02 6400 T= 6319. E= 0.67563900E+03 F= 0.63117421E+03 E0= 0.65954079E+03 EK= 0.51460E+02 SP= -.79E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325403372847E+03 -0.30859E+00 -0.16001E-01 8408 0.238E+01 0.235E-01 RMM: 2 -0.325428061078E+03 -0.24688E-01 -0.19084E-01 5058 0.954E-01 0.104E+00 RMM: 3 -0.325419573096E+03 0.84880E-02 -0.18424E-02 5901 0.258E-01 0.182E-01 RMM: 4 -0.325419204467E+03 0.36863E-03 -0.11109E-03 4877 0.731E-02 0.154E-01 RMM: 5 -0.325419066873E+03 0.13759E-03 -0.17309E-04 3899 0.329E-02 0.908E-02 RMM: 6 -0.325419016722E+03 0.50151E-04 -0.43466E-05 3083 0.195E-02 0.445E-02 RMM: 7 -0.325419019411E+03 -0.26896E-05 -0.23605E-05 2548 0.146E-02 6401 T= 6438. E= 0.67563283E+03 F= 0.63084997E+03 E0= 0.65920703E+03 EK= 0.52430E+02 SP= -.85E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325944420754E+03 -0.52540E+00 -0.14964E-01 8680 0.242E+01 0.183E-01 RMM: 2 -0.325962404505E+03 -0.17984E-01 -0.15796E-01 5231 0.855E-01 0.717E-01 RMM: 3 -0.325957784319E+03 0.46202E-02 -0.13911E-02 6074 0.223E-01 0.163E-01 RMM: 4 -0.325957454312E+03 0.33001E-03 -0.67109E-04 4885 0.562E-02 0.113E-01 RMM: 5 -0.325957378951E+03 0.75360E-04 -0.89748E-05 3712 0.255E-02 0.778E-02 RMM: 6 -0.325957369796E+03 0.91557E-05 -0.27182E-05 2567 0.157E-02 6402 T= 6585. E= 0.67562354E+03 F= 0.63031162E+03 E0= 0.65865665E+03 EK= 0.53626E+02 SP= -.92E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326574173422E+03 -0.61679E+00 -0.16238E-01 9016 0.247E+01 0.290E-01 RMM: 2 -0.326606641872E+03 -0.32468E-01 -0.16412E-01 5298 0.879E-01 0.161E+00 RMM: 3 -0.326587415139E+03 0.19227E-01 -0.16445E-02 5420 0.283E-01 0.276E-01 RMM: 4 -0.326586914350E+03 0.50079E-03 -0.16499E-03 5017 0.787E-02 0.118E-01 RMM: 5 -0.326586830375E+03 0.83975E-04 -0.16081E-04 3933 0.323E-02 0.966E-02 RMM: 6 -0.326586800644E+03 0.29732E-04 -0.32760E-05 2696 0.169E-02 0.800E-02 RMM: 7 -0.326586819861E+03 -0.19217E-04 -0.71055E-05 3542 0.228E-02 6403 T= 6745. E= 0.67561547E+03 F= 0.62968217E+03 E0= 0.65801459E+03 EK= 0.54928E+02 SP= -.99E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327183924609E+03 -0.59712E+00 -0.17472E-01 9056 0.251E+01 0.344E-01 RMM: 2 -0.327219663411E+03 -0.35739E-01 -0.17482E-01 5336 0.926E-01 0.175E+00 RMM: 3 -0.327198017316E+03 0.21646E-01 -0.17957E-02 5443 0.297E-01 0.358E-01 RMM: 4 -0.327197141971E+03 0.87535E-03 -0.22603E-03 4902 0.101E-01 0.145E-01 RMM: 5 -0.327197094843E+03 0.47128E-04 -0.29595E-04 3912 0.414E-02 0.136E-01 RMM: 6 -0.327196982428E+03 0.11241E-03 -0.71485E-05 3524 0.242E-02 0.590E-02 RMM: 7 -0.327197002423E+03 -0.19995E-04 -0.50143E-05 3155 0.198E-02 6404 T= 6904. E= 0.67561067E+03 F= 0.62907199E+03 E0= 0.65739234E+03 EK= 0.56219E+02 SP= -.11E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327706401753E+03 -0.50942E+00 -0.18514E-01 8984 0.255E+01 0.242E-01 RMM: 2 -0.327734098254E+03 -0.27697E-01 -0.18401E-01 5439 0.909E-01 0.126E+00 RMM: 3 -0.327721760858E+03 0.12337E-01 -0.14891E-02 5574 0.253E-01 0.209E-01 RMM: 4 -0.327721452790E+03 0.30807E-03 -0.12105E-03 4988 0.699E-02 0.133E-01 RMM: 5 -0.327721344730E+03 0.10806E-03 -0.14500E-04 3932 0.301E-02 0.911E-02 RMM: 6 -0.327721325412E+03 0.19319E-04 -0.35711E-05 2887 0.176E-02 6405 T= 7052. E= 0.67560862E+03 F= 0.62854766E+03 E0= 0.65685766E+03 EK= 0.57427E+02 SP= -.11E+02 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328117318363E+03 -0.39597E+00 -0.19168E-01 8768 0.257E+01 0.322E-01 RMM: 2 -0.328161746516E+03 -0.44428E-01 -0.19868E-01 5353 0.939E-01 0.195E+00 RMM: 3 -0.328133334923E+03 0.28412E-01 -0.19189E-02 5394 0.312E-01 0.306E-01 RMM: 4 -0.328132717021E+03 0.61790E-03 -0.21220E-03 5336 0.843E-02 0.116E-01 RMM: 5 -0.328132645446E+03 0.71574E-04 -0.16014E-04 3989 0.309E-02 0.109E-01 RMM: 6 -0.328132610299E+03 0.35147E-04 -0.38853E-05 2879 0.187E-02 0.904E-02 RMM: 7 -0.328132688705E+03 -0.78405E-04 -0.11801E-04 3882 0.277E-02 0.142E-01 RMM: 8 -0.328132559869E+03 0.12884E-03 -0.16341E-04 3893 0.287E-02 0.448E-02 RMM: 9 -0.328132554650E+03 0.52186E-05 -0.25092E-05 2624 0.140E-02 6406 T= 7185. E= 0.67560752E+03 F= 0.62813643E+03 E0= 0.65644238E+03 EK= 0.58513E+02 SP= -.12E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328406793310E+03 -0.27423E+00 -0.19642E-01 8848 0.258E+01 0.393E-01 RMM: 2 -0.328454448935E+03 -0.47656E-01 -0.20964E-01 5012 0.100E+00 0.207E+00 RMM: 3 -0.328423227280E+03 0.31222E-01 -0.22671E-02 5491 0.334E-01 0.306E-01 RMM: 4 -0.328422731373E+03 0.49591E-03 -0.26963E-03 5283 0.112E-01 0.223E-01 RMM: 5 -0.328422636779E+03 0.94594E-04 -0.44083E-04 4085 0.508E-02 0.189E-01 RMM: 6 -0.328422400501E+03 0.23628E-03 -0.14414E-04 3867 0.325E-02 0.488E-02 RMM: 7 -0.328422444230E+03 -0.43729E-04 -0.62023E-05 3406 0.212E-02 0.900E-02 RMM: 8 -0.328422401606E+03 0.42624E-04 -0.42325E-05 3009 0.197E-02 0.326E-02 RMM: 9 -0.328422400675E+03 0.93186E-06 -0.14638E-05 2496 0.110E-02 6407 T= 7302. E= 0.67560677E+03 F= 0.62784659E+03 E0= 0.65615316E+03 EK= 0.59460E+02 SP= -.12E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328570597886E+03 -0.14820E+00 -0.20017E-01 8736 0.259E+01 0.231E-01 RMM: 2 -0.328598574408E+03 -0.27977E-01 -0.20712E-01 5202 0.964E-01 0.113E+00 RMM: 3 -0.328587793355E+03 0.10781E-01 -0.17284E-02 5670 0.269E-01 0.212E-01 RMM: 4 -0.328587382388E+03 0.41097E-03 -0.12036E-03 4939 0.728E-02 0.109E-01 RMM: 5 -0.328587309300E+03 0.73088E-04 -0.15476E-04 4091 0.299E-02 0.808E-02 RMM: 6 -0.328587275536E+03 0.33765E-04 -0.31285E-05 2757 0.168E-02 0.539E-02 RMM: 7 -0.328587281093E+03 -0.55574E-05 -0.37705E-05 2892 0.177E-02 6408 T= 7400. E= 0.67560607E+03 F= 0.62768171E+03 E0= 0.65599391E+03 EK= 0.60258E+02 SP= -.13E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328607946616E+03 -0.20671E-01 -0.19934E-01 8648 0.260E+01 0.201E-01 RMM: 2 -0.328632522789E+03 -0.24576E-01 -0.20766E-01 5270 0.971E-01 0.875E-01 RMM: 3 -0.328625479359E+03 0.70434E-02 -0.16457E-02 6062 0.253E-01 0.181E-01 RMM: 4 -0.328625097809E+03 0.38155E-03 -0.86297E-04 4788 0.656E-02 0.113E-01 RMM: 5 -0.328625028525E+03 0.69283E-04 -0.11980E-04 3800 0.296E-02 0.732E-02 RMM: 6 -0.328625009089E+03 0.19437E-04 -0.28986E-05 2650 0.160E-02 6409 T= 7478. E= 0.67560596E+03 F= 0.62764398E+03 E0= 0.65596475E+03 EK= 0.60897E+02 SP= -.13E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328521343318E+03 0.10369E+00 -0.20582E-01 8496 0.260E+01 0.308E-01 RMM: 2 -0.328561742408E+03 -0.40399E-01 -0.24080E-01 4934 0.109E+00 0.164E+00 RMM: 3 -0.328541716211E+03 0.20026E-01 -0.24296E-02 5573 0.329E-01 0.304E-01 RMM: 4 -0.328540920613E+03 0.79560E-03 -0.19763E-03 5176 0.920E-02 0.118E-01 RMM: 5 -0.328540864787E+03 0.55826E-04 -0.24393E-04 4211 0.339E-02 0.968E-02 RMM: 6 -0.328540821813E+03 0.42974E-04 -0.41065E-05 2996 0.183E-02 0.771E-02 RMM: 7 -0.328540849120E+03 -0.27308E-04 -0.62749E-05 3441 0.216E-02 0.103E-01 RMM: 8 -0.328540784490E+03 0.64630E-04 -0.14011E-04 3891 0.255E-02 0.471E-02 RMM: 9 -0.328540773629E+03 0.10861E-04 -0.24167E-05 2596 0.137E-02 6410 T= 7537. E= 0.67560721E+03 F= 0.62772822E+03 E0= 0.65605784E+03 EK= 0.61379E+02 SP= -.14E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328340928152E+03 0.19986E+00 -0.19149E-01 8520 0.260E+01 0.344E-01 RMM: 2 -0.328379920718E+03 -0.38993E-01 -0.20696E-01 5100 0.100E+00 0.174E+00 RMM: 3 -0.328357500445E+03 0.22420E-01 -0.20483E-02 5431 0.322E-01 0.309E-01 RMM: 4 -0.328356961463E+03 0.53898E-03 -0.23479E-03 5228 0.104E-01 0.178E-01 RMM: 5 -0.328356892604E+03 0.68859E-04 -0.33025E-04 3958 0.408E-02 0.163E-01 RMM: 6 -0.328356717082E+03 0.17552E-03 -0.99708E-05 3694 0.282E-02 0.433E-02 RMM: 7 -0.328356730788E+03 -0.13705E-04 -0.30503E-05 2734 0.159E-02 6411 T= 7579. E= 0.67560938E+03 F= 0.62791226E+03 E0= 0.65624760E+03 EK= 0.61719E+02 SP= -.14E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328095974154E+03 0.26074E+00 -0.18324E-01 8600 0.260E+01 0.218E-01 RMM: 2 -0.328121945817E+03 -0.25972E-01 -0.19751E-01 5230 0.959E-01 0.107E+00 RMM: 3 -0.328112569506E+03 0.93763E-02 -0.16585E-02 5705 0.266E-01 0.219E-01 RMM: 4 -0.328112150893E+03 0.41861E-03 -0.11083E-03 4904 0.707E-02 0.102E-01 RMM: 5 -0.328112099364E+03 0.51530E-04 -0.13595E-04 4252 0.288E-02 0.844E-02 RMM: 6 -0.328112072046E+03 0.27318E-04 -0.27364E-05 2576 0.156E-02 0.647E-02 RMM: 7 -0.328112092006E+03 -0.19960E-04 -0.80191E-05 3771 0.237E-02 6412 T= 7608. E= 0.67561214E+03 F= 0.62815690E+03 E0= 0.65649381E+03 EK= 0.61953E+02 SP= -.15E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327840135825E+03 0.27194E+00 -0.18671E-01 8352 0.259E+01 0.224E-01 RMM: 2 -0.327865513361E+03 -0.25378E-01 -0.21310E-01 4963 0.102E+00 0.926E-01 RMM: 3 -0.327858303811E+03 0.72095E-02 -0.20265E-02 6021 0.279E-01 0.194E-01 RMM: 4 -0.327857871159E+03 0.43265E-03 -0.10502E-03 4824 0.744E-02 0.133E-01 RMM: 5 -0.327857774114E+03 0.97045E-04 -0.16021E-04 3897 0.327E-02 0.890E-02 RMM: 6 -0.327857730282E+03 0.43832E-04 -0.37833E-05 2949 0.184E-02 0.476E-02 RMM: 7 -0.327857735893E+03 -0.56109E-05 -0.27530E-05 2557 0.163E-02 6413 T= 7629. E= 0.67561489E+03 F= 0.62841125E+03 E0= 0.65674621E+03 EK= 0.62129E+02 SP= -.15E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327623133611E+03 0.23460E+00 -0.18637E-01 8408 0.258E+01 0.210E-01 RMM: 2 -0.327648173505E+03 -0.25040E-01 -0.21182E-01 5146 0.100E+00 0.890E-01 RMM: 3 -0.327641055917E+03 0.71176E-02 -0.18460E-02 6012 0.268E-01 0.174E-01 RMM: 4 -0.327640688156E+03 0.36776E-03 -0.91077E-04 4858 0.674E-02 0.122E-01 RMM: 5 -0.327640597095E+03 0.91061E-04 -0.13154E-04 3866 0.306E-02 0.795E-02 RMM: 6 -0.327640572726E+03 0.24370E-04 -0.34242E-05 2805 0.174E-02 0.601E-02 RMM: 7 -0.327640581424E+03 -0.86985E-05 -0.50929E-05 3118 0.197E-02 6414 T= 7649. E= 0.67561668E+03 F= 0.62862841E+03 E0= 0.65695818E+03 EK= 0.62292E+02 SP= -.15E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327473784216E+03 0.16679E+00 -0.19171E-01 8232 0.258E+01 0.211E-01 RMM: 2 -0.327500621353E+03 -0.26837E-01 -0.23337E-01 4993 0.108E+00 0.865E-01 RMM: 3 -0.327494063682E+03 0.65577E-02 -0.22265E-02 6055 0.286E-01 0.183E-01 RMM: 4 -0.327493609075E+03 0.45461E-03 -0.10272E-03 4914 0.736E-02 0.132E-01 RMM: 5 -0.327493506957E+03 0.10212E-03 -0.15286E-04 3907 0.322E-02 0.813E-02 RMM: 6 -0.327493477448E+03 0.29510E-04 -0.37531E-05 2944 0.183E-02 0.530E-02 RMM: 7 -0.327493487658E+03 -0.10210E-04 -0.40450E-05 2820 0.185E-02 6415 T= 7672. E= 0.67561713E+03 F= 0.62877550E+03 E0= 0.65709829E+03 EK= 0.62473E+02 SP= -.16E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327415976011E+03 0.77501E-01 -0.17696E-01 8360 0.258E+01 0.225E-01 RMM: 2 -0.327441949329E+03 -0.25973E-01 -0.21492E-01 5086 0.102E+00 0.950E-01 RMM: 3 -0.327434259720E+03 0.76896E-02 -0.19785E-02 6048 0.274E-01 0.202E-01 RMM: 4 -0.327433796342E+03 0.46338E-03 -0.10193E-03 4853 0.729E-02 0.127E-01 RMM: 5 -0.327433703994E+03 0.92348E-04 -0.15692E-04 3893 0.320E-02 0.902E-02 RMM: 6 -0.327433663299E+03 0.40695E-04 -0.40599E-05 3011 0.190E-02 0.539E-02 RMM: 7 -0.327433671477E+03 -0.81779E-05 -0.37772E-05 2703 0.177E-02 6416 T= 7698. E= 0.67561650E+03 F= 0.62883532E+03 E0= 0.65715115E+03 EK= 0.62688E+02 SP= -.16E+02 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327442646077E+03 -0.89828E-02 -0.18102E-01 8408 0.258E+01 0.202E-01 RMM: 2 -0.327467673115E+03 -0.25027E-01 -0.22400E-01 5025 0.104E+00 0.792E-01 RMM: 3 -0.327462024345E+03 0.56488E-02 -0.21334E-02 6197 0.273E-01 0.174E-01 RMM: 4 -0.327461551887E+03 0.47246E-03 -0.89799E-04 4850 0.700E-02 0.131E-01 RMM: 5 -0.327461444203E+03 0.10768E-03 -0.13419E-04 3854 0.314E-02 0.774E-02 RMM: 6 -0.327461423597E+03 0.20605E-04 -0.34587E-05 2855 0.176E-02 0.585E-02 RMM: 7 -0.327461421254E+03 0.23431E-05 -0.57586E-05 3236 0.201E-02 6417 T= 7729. E= 0.67561530E+03 F= 0.62880757E+03 E0= 0.65711637E+03 EK= 0.62937E+02 SP= -.16E+02 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327552084006E+03 -0.90660E-01 -0.18207E-01 8616 0.259E+01 0.211E-01 RMM: 2 -0.327575782878E+03 -0.23699E-01 -0.20180E-01 5303 0.974E-01 0.871E-01 RMM: 3 -0.327569130759E+03 0.66521E-02 -0.16509E-02 6134 0.246E-01 0.185E-01 RMM: 4 -0.327568763462E+03 0.36730E-03 -0.89259E-04 4781 0.692E-02 0.137E-01 RMM: 5 -0.327568646933E+03 0.11653E-03 -0.14555E-04 3844 0.311E-02 0.849E-02 RMM: 6 -0.327568614743E+03 0.32190E-04 -0.38194E-05 3007 0.186E-02 0.544E-02 RMM: 7 -0.327568621837E+03 -0.70936E-05 -0.39409E-05 2679 0.177E-02 6418 T= 7762. E= 0.67561381E+03 F= 0.62870037E+03 E0= 0.65700278E+03 EK= 0.63209E+02 SP= -.16E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327725318819E+03 -0.15670E+00 -0.18131E-01 8568 0.260E+01 0.202E-01 RMM: 2 -0.327749279601E+03 -0.23961E-01 -0.21337E-01 5230 0.101E+00 0.795E-01 RMM: 3 -0.327743584884E+03 0.56947E-02 -0.18527E-02 6221 0.252E-01 0.180E-01 RMM: 4 -0.327743141848E+03 0.44304E-03 -0.84096E-04 4833 0.672E-02 0.132E-01 RMM: 5 -0.327743027414E+03 0.11443E-03 -0.12972E-04 3845 0.298E-02 0.722E-02 RMM: 6 -0.327743013324E+03 0.14090E-04 -0.33466E-05 2881 0.174E-02 6419 T= 7797. E= 0.67561293E+03 F= 0.62852598E+03 E0= 0.65682266E+03 EK= 0.63493E+02 SP= -.16E+02 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327953715298E+03 -0.21069E+00 -0.17198E-01 8424 0.261E+01 0.223E-01 RMM: 2 -0.327980602705E+03 -0.26887E-01 -0.19672E-01 5330 0.950E-01 0.113E+00 RMM: 3 -0.327970208386E+03 0.10394E-01 -0.16271E-02 5648 0.260E-01 0.216E-01 RMM: 4 -0.327969820233E+03 0.38815E-03 -0.11439E-03 4961 0.703E-02 0.113E-01 RMM: 5 -0.327969735675E+03 0.84559E-04 -0.14266E-04 4107 0.286E-02 0.781E-02 RMM: 6 -0.327969721268E+03 0.14407E-04 -0.31155E-05 2783 0.166E-02 6420 T= 7831. E= 0.67561170E+03 F= 0.62829927E+03 E0= 0.65659085E+03 EK= 0.63769E+02 SP= -.16E+02 SK= 0.57E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328213819600E+03 -0.24408E+00 -0.16738E-01 8624 0.262E+01 0.398E-01 RMM: 2 -0.328264876551E+03 -0.51057E-01 -0.18706E-01 5256 0.981E-01 0.227E+00 RMM: 3 -0.328228535333E+03 0.36341E-01 -0.22876E-02 5419 0.351E-01 0.395E-01 RMM: 4 -0.328227346453E+03 0.11889E-02 -0.26584E-03 5105 0.107E-01 0.107E-01 RMM: 5 -0.328227324710E+03 0.21743E-04 -0.31014E-04 4303 0.359E-02 0.115E-01 RMM: 6 -0.328227251808E+03 0.72902E-04 -0.45544E-05 3042 0.199E-02 0.657E-02 RMM: 7 -0.328227286829E+03 -0.35021E-04 -0.59341E-05 3388 0.210E-02 0.101E-01 RMM: 8 -0.328227223744E+03 0.63085E-04 -0.96696E-05 3885 0.221E-02 0.393E-02 RMM: 9 -0.328227222007E+03 0.17366E-05 -0.19886E-05 2567 0.126E-02 6421 T= 7861. E= 0.67561001E+03 F= 0.62804177E+03 E0= 0.65632886E+03 EK= 0.64015E+02 SP= -.16E+02 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328476753193E+03 -0.24953E+00 -0.16498E-01 8200 0.264E+01 0.328E-01 RMM: 2 -0.328511450367E+03 -0.34697E-01 -0.18764E-01 5119 0.955E-01 0.162E+00 RMM: 3 -0.328491928499E+03 0.19522E-01 -0.18979E-02 5457 0.307E-01 0.340E-01 RMM: 4 -0.328491238424E+03 0.69008E-03 -0.22865E-03 5111 0.106E-01 0.174E-01 RMM: 5 -0.328491151189E+03 0.87234E-04 -0.32869E-04 3934 0.430E-02 0.147E-01 RMM: 6 -0.328491008883E+03 0.14231E-03 -0.82634E-05 3611 0.258E-02 0.412E-02 RMM: 7 -0.328491026424E+03 -0.17541E-04 -0.36127E-05 2933 0.174E-02 6422 T= 7884. E= 0.67560729E+03 F= 0.62777796E+03 E0= 0.65605992E+03 EK= 0.64202E+02 SP= -.16E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328714125715E+03 -0.22312E+00 -0.16140E-01 8200 0.265E+01 0.224E-01 RMM: 2 -0.328738221334E+03 -0.24096E-01 -0.17088E-01 5218 0.908E-01 0.112E+00 RMM: 3 -0.328728346354E+03 0.98750E-02 -0.14914E-02 5764 0.250E-01 0.222E-01 RMM: 4 -0.328727902091E+03 0.44426E-03 -0.10113E-03 4845 0.680E-02 0.974E-02 RMM: 5 -0.328727849649E+03 0.52442E-04 -0.13492E-04 3912 0.297E-02 0.821E-02 RMM: 6 -0.328727821473E+03 0.28176E-04 -0.31838E-05 2777 0.166E-02 0.631E-02 RMM: 7 -0.328727836265E+03 -0.14791E-04 -0.59474E-05 3412 0.209E-02 6423 T= 7896. E= 0.67560426E+03 F= 0.62754115E+03 E0= 0.65581667E+03 EK= 0.64298E+02 SP= -.16E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328886138269E+03 -0.15832E+00 -0.15742E-01 8136 0.266E+01 0.221E-01 RMM: 2 -0.328907528072E+03 -0.21390E-01 -0.16594E-01 5025 0.905E-01 0.967E-01 RMM: 3 -0.328900049887E+03 0.74782E-02 -0.16212E-02 5872 0.253E-01 0.172E-01 RMM: 4 -0.328899760473E+03 0.28941E-03 -0.94389E-04 4803 0.680E-02 0.135E-01 RMM: 5 -0.328899650318E+03 0.11015E-03 -0.15154E-04 3869 0.326E-02 0.774E-02 RMM: 6 -0.328899618265E+03 0.32053E-04 -0.39591E-05 3004 0.185E-02 0.466E-02 RMM: 7 -0.328899618698E+03 -0.43310E-06 -0.33316E-05 2594 0.177E-02 6424 T= 7892. E= 0.67560142E+03 F= 0.62736937E+03 E0= 0.65563649E+03 EK= 0.64264E+02 SP= -.16E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328953599125E+03 -0.53981E-01 -0.17029E-01 7824 0.267E+01 0.202E-01 RMM: 2 -0.328976204170E+03 -0.22605E-01 -0.19516E-01 4802 0.102E+00 0.822E-01 RMM: 3 -0.328970810085E+03 0.53941E-02 -0.21162E-02 6048 0.271E-01 0.185E-01 RMM: 4 -0.328970297587E+03 0.51250E-03 -0.92587E-04 4846 0.716E-02 0.126E-01 RMM: 5 -0.328970198358E+03 0.99229E-04 -0.15363E-04 3936 0.344E-02 0.768E-02 RMM: 6 -0.328970169093E+03 0.29265E-04 -0.39648E-05 2992 0.183E-02 0.523E-02 RMM: 7 -0.328970164431E+03 0.46627E-05 -0.44426E-05 2783 0.196E-02 6425 T= 7867. E= 0.67559888E+03 F= 0.62729882E+03 E0= 0.65555288E+03 EK= 0.64065E+02 SP= -.16E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328891764216E+03 0.78405E-01 -0.15756E-01 7952 0.267E+01 0.195E-01 RMM: 2 -0.328910615218E+03 -0.18851E-01 -0.15855E-01 4963 0.900E-01 0.800E-01 RMM: 3 -0.328905243956E+03 0.53713E-02 -0.15594E-02 5972 0.245E-01 0.179E-01 RMM: 4 -0.328904902339E+03 0.34162E-03 -0.78902E-04 4751 0.645E-02 0.112E-01 RMM: 5 -0.328904830899E+03 0.71440E-04 -0.12246E-04 3784 0.299E-02 0.806E-02 RMM: 6 -0.328904799602E+03 0.31297E-04 -0.35018E-05 2885 0.178E-02 0.484E-02 RMM: 7 -0.328904810025E+03 -0.10423E-04 -0.30753E-05 2598 0.167E-02 6426 T= 7818. E= 0.67559597E+03 F= 0.62736418E+03 E0= 0.65560052E+03 EK= 0.63668E+02 SP= -.16E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328654108985E+03 0.25069E+00 -0.16301E-01 7944 0.267E+01 0.194E-01 RMM: 2 -0.328674183982E+03 -0.20075E-01 -0.16945E-01 4922 0.929E-01 0.816E-01 RMM: 3 -0.328668690808E+03 0.54932E-02 -0.17375E-02 6017 0.250E-01 0.173E-01 RMM: 4 -0.328668298883E+03 0.39193E-03 -0.81248E-04 4765 0.661E-02 0.114E-01 RMM: 5 -0.328668223574E+03 0.75309E-04 -0.12930E-04 3795 0.312E-02 0.730E-02 RMM: 6 -0.328668195784E+03 0.27791E-04 -0.30713E-05 2703 0.167E-02 0.439E-02 RMM: 7 -0.328668199092E+03 -0.33085E-05 -0.25112E-05 2546 0.152E-02 6427 T= 7742. E= 0.67559360E+03 F= 0.62760079E+03 E0= 0.65581342E+03 EK= 0.63042E+02 SP= -.15E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328213487597E+03 0.45471E+00 -0.16564E-01 7920 0.267E+01 0.164E-01 RMM: 2 -0.328232137462E+03 -0.18650E-01 -0.16898E-01 4950 0.927E-01 0.657E-01 RMM: 3 -0.328228026612E+03 0.41108E-02 -0.16586E-02 6072 0.242E-01 0.146E-01 RMM: 4 -0.328227709967E+03 0.31665E-03 -0.70883E-04 4745 0.629E-02 0.109E-01 RMM: 5 -0.328227630531E+03 0.79436E-04 -0.10685E-04 3713 0.297E-02 0.699E-02 RMM: 6 -0.328227607124E+03 0.23407E-04 -0.30815E-05 2716 0.169E-02 0.464E-02 RMM: 7 -0.328227604704E+03 0.24199E-05 -0.36198E-05 2674 0.174E-02 6428 T= 7633. E= 0.67559194E+03 F= 0.62804138E+03 E0= 0.65622335E+03 EK= 0.62162E+02 SP= -.15E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327548169120E+03 0.67944E+00 -0.16302E-01 8080 0.265E+01 0.192E-01 RMM: 2 -0.327565774159E+03 -0.17605E-01 -0.14428E-01 5007 0.862E-01 0.824E-01 RMM: 3 -0.327560228454E+03 0.55457E-02 -0.13996E-02 6074 0.231E-01 0.165E-01 RMM: 4 -0.327559913484E+03 0.31497E-03 -0.69657E-04 4701 0.625E-02 0.111E-01 RMM: 5 -0.327559841875E+03 0.71608E-04 -0.11061E-04 3682 0.290E-02 0.728E-02 RMM: 6 -0.327559813538E+03 0.28338E-04 -0.30694E-05 2788 0.170E-02 0.419E-02 RMM: 7 -0.327559815598E+03 -0.20604E-05 -0.27543E-05 2565 0.157E-02 6429 T= 7492. E= 0.67559142E+03 F= 0.62870917E+03 E0= 0.65685510E+03 EK= 0.61012E+02 SP= -.15E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326648293770E+03 0.91152E+00 -0.16081E-01 8056 0.263E+01 0.182E-01 RMM: 2 -0.326665387417E+03 -0.17094E-01 -0.13904E-01 5107 0.832E-01 0.810E-01 RMM: 3 -0.326659793234E+03 0.55942E-02 -0.12367E-02 5986 0.221E-01 0.171E-01 RMM: 4 -0.326659532455E+03 0.26078E-03 -0.68970E-04 4714 0.615E-02 0.112E-01 RMM: 5 -0.326659444722E+03 0.87733E-04 -0.10489E-04 3632 0.271E-02 0.651E-02 RMM: 6 -0.326659424914E+03 0.19808E-04 -0.27124E-05 2661 0.160E-02 6430 T= 7319. E= 0.67559373E+03 F= 0.62960956E+03 E0= 0.65771587E+03 EK= 0.59600E+02 SP= -.14E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325536490983E+03 0.11230E+01 -0.16426E-01 7968 0.260E+01 0.195E-01 RMM: 2 -0.325556745588E+03 -0.20255E-01 -0.15363E-01 5022 0.883E-01 0.948E-01 RMM: 3 -0.325549554548E+03 0.71910E-02 -0.15281E-02 5792 0.246E-01 0.158E-01 RMM: 4 -0.325549289766E+03 0.26478E-03 -0.82175E-04 4938 0.616E-02 0.109E-01 RMM: 5 -0.325549199402E+03 0.90364E-04 -0.10504E-04 4039 0.266E-02 0.632E-02 RMM: 6 -0.325549190578E+03 0.88243E-05 -0.27140E-05 2583 0.154E-02 6431 T= 7117. E= 0.67559939E+03 F= 0.63071980E+03 E0= 0.65878677E+03 EK= 0.57959E+02 SP= -.14E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324278541434E+03 0.12707E+01 -0.14945E-01 7928 0.255E+01 0.329E-01 RMM: 2 -0.324318341737E+03 -0.39800E-01 -0.14280E-01 5016 0.891E-01 0.198E+00 RMM: 3 -0.324289645822E+03 0.28696E-01 -0.18276E-02 5420 0.313E-01 0.239E-01 RMM: 4 -0.324289262261E+03 0.38356E-03 -0.18913E-03 5119 0.850E-02 0.119E-01 RMM: 5 -0.324289225771E+03 0.36490E-04 -0.20296E-04 3913 0.344E-02 0.115E-01 RMM: 6 -0.324289138647E+03 0.87124E-04 -0.56177E-05 3279 0.217E-02 0.423E-02 RMM: 7 -0.324289139361E+03 -0.71438E-06 -0.19083E-05 2523 0.136E-02 6432 T= 6896. E= 0.67560785E+03 F= 0.63197985E+03 E0= 0.66001094E+03 EK= 0.56161E+02 SP= -.13E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322966255138E+03 0.13229E+01 -0.14142E-01 7808 0.250E+01 0.309E-01 RMM: 2 -0.322996342845E+03 -0.30088E-01 -0.14846E-01 4967 0.911E-01 0.159E+00 RMM: 3 -0.322978247296E+03 0.18096E-01 -0.17878E-02 5472 0.300E-01 0.309E-01 RMM: 4 -0.322977560059E+03 0.68724E-03 -0.18007E-03 5007 0.894E-02 0.108E-01 RMM: 5 -0.322977548612E+03 0.11447E-04 -0.22724E-04 3934 0.350E-02 0.117E-01 RMM: 6 -0.322977452981E+03 0.95632E-04 -0.49247E-05 3169 0.205E-02 0.374E-02 RMM: 7 -0.322977454777E+03 -0.17962E-05 -0.23223E-05 2533 0.144E-02 6433 T= 6670. E= 0.67561817E+03 F= 0.63329153E+03 E0= 0.66129413E+03 EK= 0.54315E+02 SP= -.13E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321728460037E+03 0.12490E+01 -0.13293E-01 7800 0.245E+01 0.231E-01 RMM: 2 -0.321751989729E+03 -0.23530E-01 -0.15009E-01 4937 0.899E-01 0.121E+00 RMM: 3 -0.321741282629E+03 0.10707E-01 -0.16639E-02 5728 0.256E-01 0.196E-01 RMM: 4 -0.321740905356E+03 0.37727E-03 -0.10716E-03 4824 0.704E-02 0.107E-01 RMM: 5 -0.321740844041E+03 0.61315E-04 -0.14703E-04 4002 0.293E-02 0.821E-02 RMM: 6 -0.321740803386E+03 0.40655E-04 -0.32572E-05 2852 0.171E-02 0.457E-02 RMM: 7 -0.321740803789E+03 -0.40327E-06 -0.25355E-05 2558 0.156E-02 6434 T= 6454. E= 0.67562896E+03 F= 0.63452819E+03 E0= 0.66251222E+03 EK= 0.52556E+02 SP= -.12E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320705389786E+03 0.10354E+01 -0.12945E-01 7744 0.240E+01 0.204E-01 RMM: 2 -0.320722682146E+03 -0.17292E-01 -0.13995E-01 4930 0.867E-01 0.851E-01 RMM: 3 -0.320717410754E+03 0.52714E-02 -0.15649E-02 5940 0.235E-01 0.166E-01 RMM: 4 -0.320717045030E+03 0.36572E-03 -0.82425E-04 4846 0.648E-02 0.119E-01 RMM: 5 -0.320716958131E+03 0.86899E-04 -0.12168E-04 3768 0.288E-02 0.724E-02 RMM: 6 -0.320716928679E+03 0.29452E-04 -0.27124E-05 2611 0.159E-02 0.411E-02 RMM: 7 -0.320716927434E+03 0.12449E-05 -0.20830E-05 2530 0.141E-02 6435 T= 6266. E= 0.67563919E+03 F= 0.63555206E+03 E0= 0.66352779E+03 EK= 0.51026E+02 SP= -.11E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320027507480E+03 0.68942E+00 -0.12286E-01 7736 0.235E+01 0.175E-01 RMM: 2 -0.320041190840E+03 -0.13683E-01 -0.11757E-01 5013 0.794E-01 0.706E-01 RMM: 3 -0.320037552733E+03 0.36381E-02 -0.12416E-02 6017 0.206E-01 0.144E-01 RMM: 4 -0.320037270710E+03 0.28202E-03 -0.60313E-04 4702 0.568E-02 0.116E-01 RMM: 5 -0.320037181810E+03 0.88900E-04 -0.91479E-05 3597 0.257E-02 0.673E-02 RMM: 6 -0.320037161304E+03 0.20506E-04 -0.24557E-05 2574 0.152E-02 0.462E-02 RMM: 7 -0.320037155662E+03 0.56423E-05 -0.31253E-05 2645 0.162E-02 6436 T= 6123. E= 0.67564747E+03 F= 0.63623183E+03 E0= 0.66421005E+03 EK= 0.49861E+02 SP= -.11E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319797404578E+03 0.23976E+00 -0.11377E-01 7800 0.231E+01 0.178E-01 RMM: 2 -0.319809422475E+03 -0.12018E-01 -0.97424E-02 5109 0.729E-01 0.739E-01 RMM: 3 -0.319805483012E+03 0.39395E-02 -0.98134E-03 5937 0.189E-01 0.150E-01 RMM: 4 -0.319805251373E+03 0.23164E-03 -0.55627E-04 4639 0.545E-02 0.114E-01 RMM: 5 -0.319805173194E+03 0.78179E-04 -0.91444E-05 3595 0.258E-02 0.668E-02 RMM: 6 -0.319805149873E+03 0.23320E-04 -0.24204E-05 2591 0.154E-02 0.399E-02 RMM: 7 -0.319805149211E+03 0.66248E-06 -0.24459E-05 2576 0.145E-02 6437 T= 6037. E= 0.67565212E+03 F= 0.63646384E+03 E0= 0.66445341E+03 EK= 0.49163E+02 SP= -.10E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320069133918E+03 -0.26398E+00 -0.11028E-01 7928 0.229E+01 0.171E-01 RMM: 2 -0.320081176443E+03 -0.12043E-01 -0.96516E-02 4972 0.735E-01 0.745E-01 RMM: 3 -0.320077311439E+03 0.38650E-02 -0.10598E-02 5988 0.194E-01 0.143E-01 RMM: 4 -0.320077055559E+03 0.25588E-03 -0.53960E-04 4682 0.544E-02 0.101E-01 RMM: 5 -0.320076994368E+03 0.61191E-04 -0.83922E-05 3560 0.253E-02 0.631E-02 RMM: 6 -0.320076974679E+03 0.19689E-04 -0.22743E-05 2553 0.147E-02 6438 T= 6015. E= 0.67565291E+03 F= 0.63619201E+03 E0= 0.66420067E+03 EK= 0.48986E+02 SP= -.10E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320845687214E+03 -0.76869E+00 -0.11330E-01 7704 0.229E+01 0.193E-01 RMM: 2 -0.320862467439E+03 -0.16780E-01 -0.10899E-01 4850 0.791E-01 0.101E+00 RMM: 3 -0.320855123765E+03 0.73437E-02 -0.12637E-02 5624 0.228E-01 0.185E-01 RMM: 4 -0.320854791199E+03 0.33257E-03 -0.79544E-04 4865 0.600E-02 0.788E-02 RMM: 5 -0.320854752333E+03 0.38866E-04 -0.10268E-04 3855 0.271E-02 0.633E-02 RMM: 6 -0.320854734584E+03 0.17749E-04 -0.23406E-05 2557 0.141E-02 6439 T= 6057. E= 0.67564942E+03 F= 0.63541425E+03 E0= 0.66344737E+03 EK= 0.49326E+02 SP= -.95E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322076436984E+03 -0.12217E+01 -0.11027E-01 7704 0.230E+01 0.321E-01 RMM: 2 -0.322107138010E+03 -0.30701E-01 -0.10466E-01 4897 0.809E-01 0.180E+00 RMM: 3 -0.322084482519E+03 0.22655E-01 -0.15234E-02 5381 0.296E-01 0.307E-01 RMM: 4 -0.322083777779E+03 0.70474E-03 -0.16937E-03 4889 0.842E-02 0.755E-02 RMM: 5 -0.322083773536E+03 0.42431E-05 -0.19669E-04 4075 0.311E-02 6440 T= 6155. E= 0.67564275E+03 F= 0.63418522E+03 E0= 0.66224629E+03 EK= 0.50126E+02 SP= -.91E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323651218158E+03 -0.15674E+01 -0.11414E-01 7648 0.233E+01 0.210E-01 RMM: 2 -0.323670166457E+03 -0.18948E-01 -0.10827E-01 4964 0.760E-01 0.115E+00 RMM: 3 -0.323660628326E+03 0.95381E-02 -0.12589E-02 5499 0.238E-01 0.240E-01 RMM: 4 -0.323660193796E+03 0.43453E-03 -0.10792E-03 4796 0.686E-02 0.891E-02 RMM: 5 -0.323660150573E+03 0.43223E-04 -0.13476E-04 4050 0.286E-02 0.739E-02 RMM: 6 -0.323660121469E+03 0.29104E-04 -0.25660E-05 2571 0.150E-02 0.499E-02 RMM: 7 -0.323660131442E+03 -0.99727E-05 -0.31843E-05 2714 0.164E-02 6441 T= 6296. E= 0.67563342E+03 F= 0.63260886E+03 E0= 0.66070026E+03 EK= 0.51274E+02 SP= -.86E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325437048345E+03 -0.17769E+01 -0.11901E-01 7608 0.237E+01 0.230E-01 RMM: 2 -0.325453934676E+03 -0.16886E-01 -0.13082E-01 4751 0.855E-01 0.907E-01 RMM: 3 -0.325448070981E+03 0.58637E-02 -0.15423E-02 5816 0.239E-01 0.183E-01 RMM: 4 -0.325447773209E+03 0.29777E-03 -0.97706E-04 4800 0.707E-02 0.152E-01 RMM: 5 -0.325447649701E+03 0.12351E-03 -0.17076E-04 3870 0.341E-02 0.824E-02 RMM: 6 -0.325447606916E+03 0.42785E-04 -0.48698E-05 3193 0.205E-02 0.296E-02 RMM: 7 -0.325447615690E+03 -0.87734E-05 -0.19915E-05 2551 0.143E-02 6442 T= 6463. E= 0.67562226E+03 F= 0.63082137E+03 E0= 0.65894329E+03 EK= 0.52629E+02 SP= -.82E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327283741740E+03 -0.18361E+01 -0.12599E-01 7936 0.241E+01 0.172E-01 RMM: 2 -0.327300356384E+03 -0.16615E-01 -0.13921E-01 4900 0.859E-01 0.768E-01 RMM: 3 -0.327295998513E+03 0.43579E-02 -0.15627E-02 6043 0.225E-01 0.141E-01 RMM: 4 -0.327295647324E+03 0.35119E-03 -0.69521E-04 4756 0.625E-02 0.121E-01 RMM: 5 -0.327295532494E+03 0.11483E-03 -0.11432E-04 3770 0.293E-02 0.614E-02 RMM: 6 -0.327295517828E+03 0.14666E-04 -0.26589E-05 2581 0.148E-02 6443 T= 6635. E= 0.67561181E+03 F= 0.62897347E+03 E0= 0.65712343E+03 EK= 0.54036E+02 SP= -.78E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329047679280E+03 -0.17521E+01 -0.13294E-01 8032 0.244E+01 0.166E-01 RMM: 2 -0.329066204140E+03 -0.18525E-01 -0.14411E-01 4847 0.850E-01 0.863E-01 RMM: 3 -0.329060377416E+03 0.58267E-02 -0.15685E-02 5874 0.235E-01 0.149E-01 RMM: 4 -0.329060036331E+03 0.34109E-03 -0.70720E-04 4992 0.581E-02 0.911E-02 RMM: 5 -0.329059978463E+03 0.57868E-04 -0.84089E-05 3696 0.258E-02 0.695E-02 RMM: 6 -0.329059972521E+03 0.59420E-05 -0.27082E-05 2580 0.155E-02 6444 T= 6796. E= 0.67560306E+03 F= 0.62720902E+03 E0= 0.65538574E+03 EK= 0.55344E+02 SP= -.73E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330608918304E+03 -0.15489E+01 -0.14122E-01 8224 0.247E+01 0.343E-01 RMM: 2 -0.330647230229E+03 -0.38312E-01 -0.16139E-01 4810 0.932E-01 0.187E+00 RMM: 3 -0.330621933815E+03 0.25296E-01 -0.20874E-02 5414 0.331E-01 0.329E-01 RMM: 4 -0.330621165607E+03 0.76821E-03 -0.23454E-03 5278 0.987E-02 0.109E-01 RMM: 5 -0.330621124846E+03 0.40762E-04 -0.27161E-04 4112 0.338E-02 0.113E-01 RMM: 6 -0.330621045079E+03 0.79767E-04 -0.50261E-05 3193 0.208E-02 0.511E-02 RMM: 7 -0.330621046455E+03 -0.13758E-05 -0.22132E-05 2562 0.135E-02 6445 T= 6929. E= 0.67559614E+03 F= 0.62564794E+03 E0= 0.65384977E+03 EK= 0.56429E+02 SP= -.69E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331878404532E+03 -0.12574E+01 -0.14903E-01 8464 0.249E+01 0.285E-01 RMM: 2 -0.331908895939E+03 -0.30491E-01 -0.17515E-01 4875 0.919E-01 0.147E+00 RMM: 3 -0.331893193708E+03 0.15702E-01 -0.19984E-02 5514 0.299E-01 0.299E-01 RMM: 4 -0.331892499137E+03 0.69457E-03 -0.18778E-03 5074 0.898E-02 0.118E-01 RMM: 5 -0.331892441174E+03 0.57963E-04 -0.23648E-04 3944 0.358E-02 0.103E-01 RMM: 6 -0.331892372029E+03 0.69145E-04 -0.46560E-05 3118 0.198E-02 0.466E-02 RMM: 7 -0.331892374087E+03 -0.20576E-05 -0.24015E-05 2577 0.145E-02 6446 T= 7024. E= 0.67559171E+03 F= 0.62437662E+03 E0= 0.65260135E+03 EK= 0.57201E+02 SP= -.64E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332805906888E+03 -0.91353E+00 -0.16927E-01 8456 0.250E+01 0.228E-01 RMM: 2 -0.332834320573E+03 -0.28414E-01 -0.21313E-01 4926 0.992E-01 0.113E+00 RMM: 3 -0.332824289268E+03 0.10031E-01 -0.21924E-02 5766 0.281E-01 0.202E-01 RMM: 4 -0.332823749589E+03 0.53968E-03 -0.13062E-03 5233 0.742E-02 0.103E-01 RMM: 5 -0.332823683940E+03 0.65649E-04 -0.15677E-04 4102 0.309E-02 0.786E-02 RMM: 6 -0.332823651983E+03 0.31957E-04 -0.30616E-05 2724 0.164E-02 0.543E-02 RMM: 7 -0.332823653255E+03 -0.12714E-05 -0.31803E-05 2648 0.166E-02 6447 T= 7074. E= 0.67558941E+03 F= 0.62344534E+03 E0= 0.65169024E+03 EK= 0.57609E+02 SP= -.60E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333379263345E+03 -0.55561E+00 -0.18760E-01 8752 0.251E+01 0.164E-01 RMM: 2 -0.333402144352E+03 -0.22881E-01 -0.21291E-01 5097 0.976E-01 0.641E-01 RMM: 3 -0.333397675367E+03 0.44690E-02 -0.18715E-02 6246 0.246E-01 0.134E-01 RMM: 4 -0.333397296933E+03 0.37843E-03 -0.83328E-04 4774 0.666E-02 0.129E-01 RMM: 5 -0.333397183939E+03 0.11299E-03 -0.11923E-04 3783 0.310E-02 0.590E-02 RMM: 6 -0.333397170842E+03 0.13096E-04 -0.25862E-05 2593 0.147E-02 6448 T= 7077. E= 0.67558869E+03 F= 0.62287182E+03 E0= 0.65113578E+03 EK= 0.57634E+02 SP= -.54E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333601541288E+03 -0.20436E+00 -0.20111E-01 8808 0.250E+01 0.194E-01 RMM: 2 -0.333627931852E+03 -0.26391E-01 -0.21173E-01 5349 0.944E-01 0.971E-01 RMM: 3 -0.333619518190E+03 0.84137E-02 -0.16539E-02 5779 0.250E-01 0.174E-01 RMM: 4 -0.333619130897E+03 0.38729E-03 -0.99899E-04 5011 0.662E-02 0.100E-01 RMM: 5 -0.333619070062E+03 0.60836E-04 -0.11207E-04 4079 0.272E-02 0.706E-02 RMM: 6 -0.333619054736E+03 0.15325E-04 -0.23291E-05 2561 0.146E-02 6449 T= 7035. E= 0.67558961E+03 F= 0.62264993E+03 E0= 0.65093017E+03 EK= 0.57287E+02 SP= -.49E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333495588524E+03 0.12348E+00 -0.20985E-01 8784 0.249E+01 0.318E-01 RMM: 2 -0.333534808703E+03 -0.39220E-01 -0.20749E-01 5146 0.950E-01 0.173E+00 RMM: 3 -0.333512403087E+03 0.22406E-01 -0.19711E-02 5472 0.308E-01 0.310E-01 RMM: 4 -0.333511622275E+03 0.78081E-03 -0.19696E-03 5053 0.892E-02 0.962E-02 RMM: 5 -0.333511592223E+03 0.30053E-04 -0.23146E-04 4448 0.323E-02 0.908E-02 RMM: 6 -0.333511550659E+03 0.41564E-04 -0.30783E-05 2731 0.165E-02 0.632E-02 RMM: 7 -0.333511575685E+03 -0.25026E-04 -0.40569E-05 3032 0.186E-02 0.898E-02 RMM: 8 -0.333511534159E+03 0.41526E-04 -0.10486E-04 3897 0.217E-02 0.430E-02 RMM: 9 -0.333511525237E+03 0.89220E-05 -0.17966E-05 2555 0.119E-02 6450 T= 6950. E= 0.67559109E+03 F= 0.62275746E+03 E0= 0.65105113E+03 EK= 0.56595E+02 SP= -.44E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333089687706E+03 0.42185E+00 -0.22276E-01 8872 0.247E+01 0.279E-01 RMM: 2 -0.333123139517E+03 -0.33452E-01 -0.20515E-01 5455 0.903E-01 0.145E+00 RMM: 3 -0.333106334336E+03 0.16805E-01 -0.15468E-02 5464 0.269E-01 0.209E-01 RMM: 4 -0.333106209625E+03 0.12471E-03 -0.17662E-03 4945 0.917E-02 0.207E-01 RMM: 5 -0.333106020476E+03 0.18915E-03 -0.28986E-04 3955 0.420E-02 0.129E-01 RMM: 6 -0.333105909613E+03 0.11086E-03 -0.76795E-05 3515 0.252E-02 0.357E-02 RMM: 7 -0.333105929049E+03 -0.19436E-04 -0.29025E-05 2710 0.158E-02 6451 T= 6827. E= 0.67559357E+03 F= 0.62316306E+03 E0= 0.65146569E+03 EK= 0.55596E+02 SP= -.38E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332424361342E+03 0.68155E+00 -0.22843E-01 8952 0.245E+01 0.211E-01 RMM: 2 -0.332451061587E+03 -0.26700E-01 -0.20279E-01 5542 0.915E-01 0.107E+00 RMM: 3 -0.332441488615E+03 0.95730E-02 -0.14883E-02 5789 0.238E-01 0.196E-01 RMM: 4 -0.332441049385E+03 0.43923E-03 -0.97557E-04 4890 0.656E-02 0.868E-02 RMM: 5 -0.332441020564E+03 0.28821E-04 -0.12626E-04 4183 0.266E-02 0.752E-02 RMM: 6 -0.332440991458E+03 0.29106E-04 -0.24123E-05 2572 0.147E-02 0.497E-02 RMM: 7 -0.332441002100E+03 -0.10642E-04 -0.41201E-05 3008 0.184E-02 6452 T= 6672. E= 0.67559649E+03 F= 0.62382799E+03 E0= 0.65213460E+03 EK= 0.54337E+02 SP= -.32E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331548228377E+03 0.89276E+00 -0.22504E-01 8968 0.242E+01 0.180E-01 RMM: 2 -0.331573244690E+03 -0.25016E-01 -0.20589E-01 5363 0.942E-01 0.907E-01 RMM: 3 -0.331566027564E+03 0.72171E-02 -0.15941E-02 5950 0.235E-01 0.141E-01 RMM: 4 -0.331565688986E+03 0.33858E-03 -0.83758E-04 4852 0.642E-02 0.116E-01 RMM: 5 -0.331565606797E+03 0.82190E-04 -0.11823E-04 3787 0.282E-02 0.644E-02 RMM: 6 -0.331565587960E+03 0.18837E-04 -0.24842E-05 2565 0.148E-02 6453 T= 6493. E= 0.67559993E+03 F= 0.62470340E+03 E0= 0.65300983E+03 EK= 0.52876E+02 SP= -.27E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330526326226E+03 0.10393E+01 -0.19397E-01 8960 0.239E+01 0.196E-01 RMM: 2 -0.330548538845E+03 -0.22213E-01 -0.17877E-01 5550 0.867E-01 0.891E-01 RMM: 3 -0.330541440955E+03 0.70979E-02 -0.13113E-02 5599 0.233E-01 0.182E-01 RMM: 4 -0.330541134466E+03 0.30649E-03 -0.95588E-04 5327 0.596E-02 0.944E-02 RMM: 5 -0.330541072211E+03 0.62255E-04 -0.84055E-05 3665 0.240E-02 0.766E-02 RMM: 6 -0.330541056681E+03 0.15531E-04 -0.25680E-05 2568 0.156E-02 6454 T= 6298. E= 0.67560506E+03 F= 0.62572793E+03 E0= 0.65403101E+03 EK= 0.51284E+02 SP= -.21E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329435673697E+03 0.11054E+01 -0.16907E-01 8960 0.236E+01 0.373E-01 RMM: 2 -0.329483078912E+03 -0.47405E-01 -0.16868E-01 5072 0.898E-01 0.219E+00 RMM: 3 -0.329448794780E+03 0.34284E-01 -0.20814E-02 5403 0.335E-01 0.364E-01 RMM: 4 -0.329447809919E+03 0.98486E-03 -0.24150E-03 5149 0.980E-02 0.108E-01 RMM: 5 -0.329447776870E+03 0.33049E-04 -0.24676E-04 4112 0.341E-02 0.105E-01 RMM: 6 -0.329447714176E+03 0.62694E-04 -0.36788E-05 2862 0.181E-02 0.631E-02 RMM: 7 -0.329447735315E+03 -0.21139E-04 -0.43624E-05 3132 0.189E-02 0.871E-02 RMM: 8 -0.329447715131E+03 0.20184E-04 -0.99737E-05 3879 0.242E-02 0.661E-02 RMM: 9 -0.329447689661E+03 0.25470E-04 -0.24460E-05 2640 0.139E-02 0.208E-02 RMM: 10 -0.329447695264E+03 -0.56033E-05 -0.10913E-05 2469 0.101E-02 6455 T= 6097. E= 0.67561148E+03 F= 0.62682129E+03 E0= 0.65511956E+03 EK= 0.49650E+02 SP= -.15E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328370934431E+03 0.10768E+01 -0.15576E-01 8920 0.233E+01 0.326E-01 RMM: 2 -0.328405552898E+03 -0.34618E-01 -0.16254E-01 5065 0.866E-01 0.174E+00 RMM: 3 -0.328383781007E+03 0.21772E-01 -0.17683E-02 5446 0.295E-01 0.272E-01 RMM: 4 -0.328383414513E+03 0.36649E-03 -0.20673E-03 5016 0.964E-02 0.198E-01 RMM: 5 -0.328383292888E+03 0.12163E-03 -0.31134E-04 3906 0.423E-02 0.158E-01 RMM: 6 -0.328383122388E+03 0.17050E-03 -0.10941E-04 3811 0.297E-02 0.426E-02 RMM: 7 -0.328383131466E+03 -0.90778E-05 -0.29984E-05 2775 0.163E-02 6456 T= 5904. E= 0.67561891E+03 F= 0.62788586E+03 E0= 0.65618162E+03 EK= 0.48078E+02 SP= -.95E+00 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327442298823E+03 0.94082E+00 -0.13208E-01 8832 0.229E+01 0.203E-01 RMM: 2 -0.327462515539E+03 -0.20217E-01 -0.13001E-01 5141 0.789E-01 0.110E+00 RMM: 3 -0.327453329231E+03 0.91863E-02 -0.12465E-02 5632 0.229E-01 0.217E-01 RMM: 4 -0.327452927565E+03 0.40167E-03 -0.93098E-04 4881 0.634E-02 0.865E-02 RMM: 5 -0.327452887290E+03 0.40275E-04 -0.10482E-04 3929 0.256E-02 0.761E-02 RMM: 6 -0.327452864856E+03 0.22433E-04 -0.22427E-05 2562 0.143E-02 0.614E-02 RMM: 7 -0.327452876090E+03 -0.11234E-04 -0.45936E-05 3093 0.190E-02 6457 T= 5732. E= 0.67562575E+03 F= 0.62881611E+03 E0= 0.65711265E+03 EK= 0.46675E+02 SP= -.41E+00 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326744684100E+03 0.70818E+00 -0.11005E-01 8320 0.225E+01 0.207E-01 RMM: 2 -0.326762005741E+03 -0.17322E-01 -0.11675E-01 4997 0.760E-01 0.101E+00 RMM: 3 -0.326754564198E+03 0.74415E-02 -0.12349E-02 5811 0.216E-01 0.177E-01 RMM: 4 -0.326754255855E+03 0.30834E-03 -0.84771E-04 4707 0.643E-02 0.112E-01 RMM: 5 -0.326754181171E+03 0.74684E-04 -0.11900E-04 3780 0.275E-02 0.722E-02 RMM: 6 -0.326754153463E+03 0.27708E-04 -0.24856E-05 2600 0.154E-02 0.399E-02 RMM: 7 -0.326754155516E+03 -0.20533E-05 -0.17177E-05 2515 0.128E-02 6458 T= 5592. E= 0.67563071E+03 F= 0.62951483E+03 E0= 0.65781660E+03 EK= 0.45540E+02 SP= 0.96E-01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326348163938E+03 0.40599E+00 -0.10049E-01 7880 0.223E+01 0.163E-01 RMM: 2 -0.326361920747E+03 -0.13757E-01 -0.10382E-01 4876 0.725E-01 0.791E-01 RMM: 3 -0.326357132009E+03 0.47887E-02 -0.10971E-02 5740 0.205E-01 0.173E-01 RMM: 4 -0.326356839270E+03 0.29274E-03 -0.66040E-04 4738 0.560E-02 0.783E-02 RMM: 5 -0.326356804608E+03 0.34662E-04 -0.86836E-05 3693 0.244E-02 0.680E-02 RMM: 6 -0.326356780398E+03 0.24210E-04 -0.22722E-05 2555 0.146E-02 0.437E-02 RMM: 7 -0.326356782259E+03 -0.18609E-05 -0.20578E-05 2533 0.138E-02 6459 T= 5494. E= 0.67563303E+03 F= 0.62991221E+03 E0= 0.65822390E+03 EK= 0.44743E+02 SP= 0.57E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326282747322E+03 0.74033E-01 -0.95543E-02 7712 0.221E+01 0.169E-01 RMM: 2 -0.326295469013E+03 -0.12722E-01 -0.91006E-02 4857 0.688E-01 0.826E-01 RMM: 3 -0.326290424738E+03 0.50443E-02 -0.99646E-03 5781 0.193E-01 0.149E-01 RMM: 4 -0.326290187889E+03 0.23685E-03 -0.59031E-04 4670 0.535E-02 0.798E-02 RMM: 5 -0.326290165078E+03 0.22811E-04 -0.80327E-05 3612 0.236E-02 0.692E-02 RMM: 6 -0.326290138573E+03 0.26505E-04 -0.23101E-05 2549 0.149E-02 0.331E-02 RMM: 7 -0.326290143403E+03 -0.48294E-05 -0.14560E-05 2494 0.119E-02 6460 T= 5441. E= 0.67563252E+03 F= 0.62997885E+03 E0= 0.65830508E+03 EK= 0.44312E+02 SP= 0.10E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326539445863E+03 -0.24931E+00 -0.97273E-02 7992 0.220E+01 0.142E-01 RMM: 2 -0.326549840722E+03 -0.10395E-01 -0.87541E-02 5030 0.654E-01 0.610E-01 RMM: 3 -0.326546765244E+03 0.30755E-02 -0.85993E-03 5802 0.176E-01 0.133E-01 RMM: 4 -0.326546579414E+03 0.18583E-03 -0.48831E-04 4515 0.493E-02 0.866E-02 RMM: 5 -0.326546530774E+03 0.48641E-04 -0.65416E-05 3376 0.229E-02 0.570E-02 RMM: 6 -0.326546515389E+03 0.15385E-04 -0.21439E-05 2533 0.143E-02 6461 T= 5432. E= 0.67563069E+03 F= 0.62972247E+03 E0= 0.65806623E+03 EK= 0.44239E+02 SP= 0.14E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327091924025E+03 -0.54539E+00 -0.10338E-01 8448 0.220E+01 0.180E-01 RMM: 2 -0.327105825577E+03 -0.13902E-01 -0.91011E-02 5118 0.658E-01 0.921E-01 RMM: 3 -0.327099461185E+03 0.63644E-02 -0.90678E-03 5600 0.194E-01 0.181E-01 RMM: 4 -0.327099194681E+03 0.26650E-03 -0.66730E-04 4750 0.528E-02 0.806E-02 RMM: 5 -0.327099158750E+03 0.35931E-04 -0.66680E-05 3480 0.210E-02 0.703E-02 RMM: 6 -0.327099145523E+03 0.13227E-04 -0.18631E-05 2519 0.132E-02 6462 T= 5464. E= 0.67562866E+03 F= 0.62916984E+03 E0= 0.65753270E+03 EK= 0.44495E+02 SP= 0.17E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327911608986E+03 -0.81245E+00 -0.10988E-01 8608 0.221E+01 0.320E-01 RMM: 2 -0.327940480855E+03 -0.28872E-01 -0.10625E-01 5075 0.737E-01 0.171E+00 RMM: 3 -0.327919881501E+03 0.20599E-01 -0.14554E-02 5384 0.282E-01 0.321E-01 RMM: 4 -0.327919136541E+03 0.74496E-03 -0.16757E-03 4815 0.813E-02 0.932E-02 RMM: 5 -0.327919097151E+03 0.39390E-04 -0.17469E-04 4091 0.298E-02 0.814E-02 RMM: 6 -0.327919068542E+03 0.28609E-04 -0.24878E-05 2615 0.149E-02 0.631E-02 RMM: 7 -0.327919096117E+03 -0.27575E-04 -0.39357E-05 2999 0.187E-02 0.931E-02 RMM: 8 -0.327919044757E+03 0.51360E-04 -0.87431E-05 3736 0.196E-02 0.465E-02 RMM: 9 -0.327919033975E+03 0.10782E-04 -0.18305E-05 2553 0.125E-02 6463 T= 5532. E= 0.67562675E+03 F= 0.62834996E+03 E0= 0.65673336E+03 EK= 0.45049E+02 SP= 0.21E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328973940138E+03 -0.10549E+01 -0.11636E-01 8584 0.222E+01 0.273E-01 RMM: 2 -0.328995628511E+03 -0.21688E-01 -0.11937E-01 5096 0.743E-01 0.129E+00 RMM: 3 -0.328983481053E+03 0.12147E-01 -0.13321E-02 5459 0.246E-01 0.222E-01 RMM: 4 -0.328983314135E+03 0.16692E-03 -0.15418E-03 4738 0.863E-02 0.198E-01 RMM: 5 -0.328983163659E+03 0.15048E-03 -0.27202E-04 3908 0.415E-02 0.135E-01 RMM: 6 -0.328983039713E+03 0.12395E-03 -0.73398E-05 3501 0.249E-02 0.368E-02 RMM: 7 -0.328983050346E+03 -0.10633E-04 -0.26782E-05 2675 0.154E-02 6464 T= 5633. E= 0.67562472E+03 F= 0.62728594E+03 E0= 0.65568920E+03 EK= 0.45875E+02 SP= 0.23E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330258921935E+03 -0.12759E+01 -0.12187E-01 8888 0.224E+01 0.185E-01 RMM: 2 -0.330274656337E+03 -0.15734E-01 -0.11540E-01 5219 0.721E-01 0.888E-01 RMM: 3 -0.330268426535E+03 0.62298E-02 -0.10736E-02 5758 0.205E-01 0.172E-01 RMM: 4 -0.330268146227E+03 0.28031E-03 -0.73543E-04 4903 0.541E-02 0.756E-02 RMM: 5 -0.330268108130E+03 0.38097E-04 -0.72254E-05 3521 0.215E-02 0.622E-02 RMM: 6 -0.330268100717E+03 0.74131E-05 -0.19148E-05 2531 0.126E-02 6465 T= 5765. E= 0.67562125E+03 F= 0.62600089E+03 E0= 0.65442253E+03 EK= 0.46945E+02 SP= 0.26E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331727433453E+03 -0.14593E+01 -0.13215E-01 8888 0.226E+01 0.284E-01 RMM: 2 -0.331755139524E+03 -0.27706E-01 -0.12492E-01 5146 0.767E-01 0.157E+00 RMM: 3 -0.331737347832E+03 0.17792E-01 -0.14445E-02 5424 0.268E-01 0.258E-01 RMM: 4 -0.331736861474E+03 0.48636E-03 -0.15154E-03 5160 0.709E-02 0.886E-02 RMM: 5 -0.331736807244E+03 0.54229E-04 -0.11910E-04 3795 0.277E-02 0.805E-02 RMM: 6 -0.331736778748E+03 0.28497E-04 -0.25342E-05 2577 0.148E-02 0.635E-02 RMM: 7 -0.331736800790E+03 -0.22043E-04 -0.58492E-05 3350 0.209E-02 0.956E-02 RMM: 8 -0.331736743397E+03 0.57394E-04 -0.10451E-04 3887 0.225E-02 0.490E-02 RMM: 9 -0.331736729759E+03 0.13638E-04 -0.18092E-05 2559 0.119E-02 6466 T= 5921. E= 0.67561577E+03 F= 0.62453226E+03 E0= 0.65297147E+03 EK= 0.48217E+02 SP= 0.28E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333316688269E+03 -0.15799E+01 -0.14526E-01 8816 0.230E+01 0.280E-01 RMM: 2 -0.333340258251E+03 -0.23570E-01 -0.14775E-01 5012 0.848E-01 0.126E+00 RMM: 3 -0.333328694966E+03 0.11563E-01 -0.15562E-02 5513 0.266E-01 0.258E-01 RMM: 4 -0.333328302639E+03 0.39233E-03 -0.16012E-03 4808 0.854E-02 0.165E-01 RMM: 5 -0.333328217906E+03 0.84733E-04 -0.25670E-04 3895 0.395E-02 0.134E-01 RMM: 6 -0.333328101024E+03 0.11688E-03 -0.73033E-05 3510 0.245E-02 0.389E-02 RMM: 7 -0.333328112743E+03 -0.11719E-04 -0.29148E-05 2734 0.159E-02 6467 T= 6094. E= 0.67560912E+03 F= 0.62294088E+03 E0= 0.65139390E+03 EK= 0.49625E+02 SP= 0.30E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334947576536E+03 -0.16195E+01 -0.15796E-01 8800 0.234E+01 0.181E-01 RMM: 2 -0.334966724735E+03 -0.19148E-01 -0.15173E-01 5103 0.853E-01 0.879E-01 RMM: 3 -0.334960719415E+03 0.60053E-02 -0.14167E-02 5899 0.226E-01 0.177E-01 RMM: 4 -0.334960318526E+03 0.40089E-03 -0.73971E-04 4859 0.591E-02 0.843E-02 RMM: 5 -0.334960276009E+03 0.42517E-04 -0.99503E-05 3819 0.259E-02 0.630E-02 RMM: 6 -0.334960261979E+03 0.14030E-04 -0.21738E-05 2558 0.137E-02 6468 T= 6273. E= 0.67560145E+03 F= 0.62130873E+03 E0= 0.64977034E+03 EK= 0.51082E+02 SP= 0.32E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336526980151E+03 -0.15667E+01 -0.16257E-01 8784 0.238E+01 0.222E-01 RMM: 2 -0.336549405474E+03 -0.22425E-01 -0.15233E-01 5059 0.856E-01 0.114E+00 RMM: 3 -0.336539804157E+03 0.96013E-02 -0.15021E-02 5666 0.251E-01 0.197E-01 RMM: 4 -0.336539425523E+03 0.37863E-03 -0.10964E-03 5279 0.637E-02 0.889E-02 RMM: 5 -0.336539364048E+03 0.61475E-04 -0.10413E-04 3779 0.269E-02 0.710E-02 RMM: 6 -0.336539346727E+03 0.17320E-04 -0.23725E-05 2562 0.145E-02 6469 T= 6446. E= 0.67559330E+03 F= 0.61972964E+03 E0= 0.64819313E+03 EK= 0.52490E+02 SP= 0.33E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337960612057E+03 -0.14212E+01 -0.16661E-01 8608 0.241E+01 0.345E-01 RMM: 2 -0.337998001846E+03 -0.37390E-01 -0.17007E-01 4956 0.948E-01 0.184E+00 RMM: 3 -0.337974451229E+03 0.23551E-01 -0.21028E-02 5453 0.326E-01 0.341E-01 RMM: 4 -0.337973535490E+03 0.91574E-03 -0.21214E-03 4994 0.936E-02 0.932E-02 RMM: 5 -0.337973499229E+03 0.36262E-04 -0.25780E-04 4562 0.332E-02 0.902E-02 RMM: 6 -0.337973453072E+03 0.46157E-04 -0.30813E-05 2680 0.168E-02 0.587E-02 RMM: 7 -0.337973469321E+03 -0.16249E-04 -0.51628E-05 3209 0.203E-02 6470 T= 6601. E= 0.67558671E+03 F= 0.61829552E+03 E0= 0.64675234E+03 EK= 0.53752E+02 SP= 0.35E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339177258462E+03 -0.12038E+01 -0.16814E-01 8504 0.244E+01 0.334E-01 RMM: 2 -0.339215185657E+03 -0.37927E-01 -0.18971E-01 4855 0.994E-01 0.177E+00 RMM: 3 -0.339193058916E+03 0.22127E-01 -0.22649E-02 5474 0.326E-01 0.356E-01 RMM: 4 -0.339192109233E+03 0.94968E-03 -0.23512E-03 5202 0.102E-01 0.121E-01 RMM: 5 -0.339192170718E+03 -0.61485E-04 -0.32578E-04 3931 0.403E-02 0.157E-01 RMM: 6 -0.339192006064E+03 0.16465E-03 -0.89493E-05 3636 0.262E-02 0.418E-02 RMM: 7 -0.339192021070E+03 -0.15006E-04 -0.30480E-05 2832 0.160E-02 6471 T= 6729. E= 0.67558300E+03 F= 0.61707697E+03 E0= 0.64551734E+03 EK= 0.54794E+02 SP= 0.37E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340141725133E+03 -0.94972E+00 -0.16924E-01 8304 0.246E+01 0.224E-01 RMM: 2 -0.340167390991E+03 -0.25666E-01 -0.18524E-01 4896 0.973E-01 0.114E+00 RMM: 3 -0.340157792369E+03 0.95986E-02 -0.19835E-02 5810 0.275E-01 0.213E-01 RMM: 4 -0.340157291434E+03 0.50094E-03 -0.11499E-03 4975 0.728E-02 0.106E-01 RMM: 5 -0.340157221181E+03 0.70253E-04 -0.15915E-04 4076 0.308E-02 0.812E-02 RMM: 6 -0.340157185820E+03 0.35361E-04 -0.32558E-05 2825 0.169E-02 0.540E-02 RMM: 7 -0.340157188845E+03 -0.30246E-05 -0.32033E-05 2628 0.166E-02 6472 T= 6824. E= 0.67558209E+03 F= 0.61611180E+03 E0= 0.64452682E+03 EK= 0.55573E+02 SP= 0.38E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340851406636E+03 -0.69422E+00 -0.15822E-01 8272 0.246E+01 0.215E-01 RMM: 2 -0.340873604373E+03 -0.22198E-01 -0.15812E-01 4824 0.920E-01 0.108E+00 RMM: 3 -0.340865184399E+03 0.84200E-02 -0.17509E-02 5868 0.262E-01 0.212E-01 RMM: 4 -0.340864696416E+03 0.48798E-03 -0.98070E-04 4771 0.709E-02 0.953E-02 RMM: 5 -0.340864654884E+03 0.41532E-04 -0.14382E-04 4022 0.306E-02 0.815E-02 RMM: 6 -0.340864618746E+03 0.36138E-04 -0.31492E-05 2750 0.169E-02 0.453E-02 RMM: 7 -0.340864625705E+03 -0.69596E-05 -0.23995E-05 2560 0.151E-02 6473 T= 6887. E= 0.67558350E+03 F= 0.61540436E+03 E0= 0.64378650E+03 EK= 0.56082E+02 SP= 0.40E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341325929881E+03 -0.46131E+00 -0.15382E-01 7864 0.246E+01 0.192E-01 RMM: 2 -0.341345046360E+03 -0.19116E-01 -0.16360E-01 4834 0.930E-01 0.791E-01 RMM: 3 -0.341340195299E+03 0.48511E-02 -0.17785E-02 6063 0.251E-01 0.161E-01 RMM: 4 -0.341339825199E+03 0.37010E-03 -0.80045E-04 4744 0.673E-02 0.133E-01 RMM: 5 -0.341339714465E+03 0.11073E-03 -0.12968E-04 3821 0.326E-02 0.742E-02 RMM: 6 -0.341339685444E+03 0.29021E-04 -0.32028E-05 2753 0.170E-02 0.432E-02 RMM: 7 -0.341339686813E+03 -0.13687E-05 -0.24620E-05 2560 0.149E-02 6474 T= 6919. E= 0.67558586E+03 F= 0.61492930E+03 E0= 0.64327277E+03 EK= 0.56342E+02 SP= 0.42E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341608938524E+03 -0.26925E+00 -0.14479E-01 7992 0.245E+01 0.181E-01 RMM: 2 -0.341626417106E+03 -0.17479E-01 -0.14873E-01 4836 0.894E-01 0.759E-01 RMM: 3 -0.341621871760E+03 0.45453E-02 -0.15762E-02 5990 0.244E-01 0.162E-01 RMM: 4 -0.341621541227E+03 0.33053E-03 -0.73473E-04 4736 0.633E-02 0.109E-01 RMM: 5 -0.341621472848E+03 0.68379E-04 -0.10743E-04 3720 0.303E-02 0.740E-02 RMM: 6 -0.341621446812E+03 0.26037E-04 -0.29369E-05 2605 0.165E-02 0.467E-02 RMM: 7 -0.341621453048E+03 -0.62366E-05 -0.32847E-05 2644 0.165E-02 6475 T= 6925. E= 0.67558787E+03 F= 0.61464754E+03 E0= 0.64294790E+03 EK= 0.56390E+02 SP= 0.44E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341732997175E+03 -0.11155E+00 -0.14115E-01 7976 0.244E+01 0.176E-01 RMM: 2 -0.341749223238E+03 -0.16226E-01 -0.14352E-01 4831 0.873E-01 0.685E-01 RMM: 3 -0.341745351456E+03 0.38718E-02 -0.14935E-02 6037 0.240E-01 0.135E-01 RMM: 4 -0.341745127297E+03 0.22416E-03 -0.68965E-04 4702 0.616E-02 0.129E-01 RMM: 5 -0.341745021515E+03 0.10578E-03 -0.11216E-04 3704 0.318E-02 0.663E-02 RMM: 6 -0.341745000152E+03 0.21363E-04 -0.28970E-05 2599 0.161E-02 0.410E-02 RMM: 7 -0.341745001529E+03 -0.13769E-05 -0.23099E-05 2529 0.148E-02 6476 T= 6909. E= 0.67558900E+03 F= 0.61452399E+03 E0= 0.64277813E+03 EK= 0.56263E+02 SP= 0.47E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341718466667E+03 0.26533E-01 -0.14290E-01 8280 0.242E+01 0.167E-01 RMM: 2 -0.341734286843E+03 -0.15820E-01 -0.13963E-01 5016 0.836E-01 0.668E-01 RMM: 3 -0.341730173862E+03 0.41130E-02 -0.12526E-02 5972 0.229E-01 0.144E-01 RMM: 4 -0.341729973275E+03 0.20059E-03 -0.60774E-04 4733 0.563E-02 0.110E-01 RMM: 5 -0.341729896894E+03 0.76381E-04 -0.89472E-05 3597 0.286E-02 0.694E-02 RMM: 6 -0.341729877397E+03 0.19497E-04 -0.27081E-05 2566 0.157E-02 6477 T= 6874. E= 0.67558982E+03 F= 0.61453911E+03 E0= 0.64274452E+03 EK= 0.55981E+02 SP= 0.49E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341570423747E+03 0.15947E+00 -0.14901E-01 8464 0.241E+01 0.216E-01 RMM: 2 -0.341592977651E+03 -0.22554E-01 -0.15037E-01 5089 0.860E-01 0.114E+00 RMM: 3 -0.341582963487E+03 0.10014E-01 -0.14076E-02 5485 0.262E-01 0.211E-01 RMM: 4 -0.341582646016E+03 0.31747E-03 -0.10516E-03 4903 0.676E-02 0.914E-02 RMM: 5 -0.341582593200E+03 0.52816E-04 -0.11032E-04 4021 0.299E-02 0.719E-02 RMM: 6 -0.341582582328E+03 0.10871E-04 -0.27330E-05 2569 0.156E-02 6478 T= 6822. E= 0.67559081E+03 F= 0.61468641E+03 E0= 0.64284220E+03 EK= 0.55553E+02 SP= 0.52E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341296803810E+03 0.28579E+00 -0.15786E-01 8576 0.239E+01 0.339E-01 RMM: 2 -0.341338963759E+03 -0.42160E-01 -0.16857E-01 4948 0.933E-01 0.199E+00 RMM: 3 -0.341310391082E+03 0.28573E-01 -0.19795E-02 5391 0.329E-01 0.326E-01 RMM: 4 -0.341309597051E+03 0.79403E-03 -0.20746E-03 5131 0.944E-02 0.103E-01 RMM: 5 -0.341309562323E+03 0.34729E-04 -0.23582E-04 4746 0.309E-02 0.102E-01 RMM: 6 -0.341309513317E+03 0.49006E-04 -0.29132E-05 2633 0.166E-02 0.688E-02 RMM: 7 -0.341309542240E+03 -0.28923E-04 -0.50664E-05 3205 0.197E-02 0.102E-01 RMM: 8 -0.341309476008E+03 0.66233E-04 -0.12123E-04 3896 0.245E-02 0.331E-02 RMM: 9 -0.341309478156E+03 -0.21482E-05 -0.19838E-05 2576 0.125E-02 6479 T= 6753. E= 0.67559230E+03 F= 0.61495951E+03 E0= 0.64306636E+03 EK= 0.54990E+02 SP= 0.55E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340913375528E+03 0.39610E+00 -0.16754E-01 8616 0.237E+01 0.284E-01 RMM: 2 -0.340945706666E+03 -0.32331E-01 -0.18759E-01 5100 0.930E-01 0.147E+00 RMM: 3 -0.340928769807E+03 0.16937E-01 -0.17410E-02 5424 0.301E-01 0.292E-01 RMM: 4 -0.340928335575E+03 0.43423E-03 -0.19938E-03 5323 0.984E-02 0.179E-01 RMM: 5 -0.340928211737E+03 0.12384E-03 -0.28852E-04 3901 0.417E-02 0.130E-01 RMM: 6 -0.340928098416E+03 0.11332E-03 -0.68595E-05 3453 0.241E-02 0.406E-02 RMM: 7 -0.340928117640E+03 -0.19224E-04 -0.33475E-05 2871 0.167E-02 6480 T= 6670. E= 0.67559489E+03 F= 0.61534087E+03 E0= 0.64340117E+03 EK= 0.54313E+02 SP= 0.58E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340452883487E+03 0.47521E+00 -0.18566E-01 8800 0.234E+01 0.190E-01 RMM: 2 -0.340478137738E+03 -0.25254E-01 -0.20683E-01 5235 0.981E-01 0.915E-01 RMM: 3 -0.340470945333E+03 0.71924E-02 -0.17851E-02 5947 0.264E-01 0.198E-01 RMM: 4 -0.340470473909E+03 0.47142E-03 -0.88285E-04 4878 0.662E-02 0.886E-02 RMM: 5 -0.340470432813E+03 0.41096E-04 -0.10573E-04 3980 0.279E-02 0.754E-02 RMM: 6 -0.340470422375E+03 0.10438E-04 -0.23850E-05 2547 0.149E-02 6481 T= 6577. E= 0.67559882E+03 F= 0.61579857E+03 E0= 0.64381814E+03 EK= 0.53558E+02 SP= 0.61E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339958661054E+03 0.51177E+00 -0.21610E-01 8656 0.231E+01 0.279E-01 RMM: 2 -0.339995818864E+03 -0.37158E-01 -0.24309E-01 5119 0.108E+00 0.145E+00 RMM: 3 -0.339979761883E+03 0.16057E-01 -0.22439E-02 5564 0.321E-01 0.261E-01 RMM: 4 -0.339979161347E+03 0.60054E-03 -0.17515E-03 5416 0.805E-02 0.104E-01 RMM: 5 -0.339979097599E+03 0.63748E-04 -0.15596E-04 4087 0.333E-02 0.872E-02 RMM: 6 -0.339979077826E+03 0.19773E-04 -0.28714E-05 2573 0.162E-02 6482 T= 6480. E= 0.67560200E+03 F= 0.61628991E+03 E0= 0.64427699E+03 EK= 0.52771E+02 SP= 0.64E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339477879981E+03 0.50122E+00 -0.23099E-01 8648 0.229E+01 0.484E-01 RMM: 2 -0.339555733596E+03 -0.77854E-01 -0.25147E-01 4925 0.111E+00 0.283E+00 RMM: 3 -0.339497615714E+03 0.58118E-01 -0.32246E-02 5378 0.432E-01 0.480E-01 RMM: 4 -0.339495883203E+03 0.17325E-02 -0.39447E-03 5458 0.128E-01 0.998E-02 RMM: 5 -0.339495889949E+03 -0.67454E-05 -0.47897E-04 5132 0.351E-02 0.123E-01 RMM: 6 -0.339495793878E+03 0.96071E-04 -0.40099E-05 2988 0.191E-02 0.627E-02 RMM: 7 -0.339495830597E+03 -0.36720E-04 -0.57903E-05 3368 0.200E-02 0.984E-02 RMM: 8 -0.339495777246E+03 0.53352E-04 -0.99694E-05 3890 0.223E-02 0.412E-02 RMM: 9 -0.339495769581E+03 0.76643E-05 -0.16722E-05 2547 0.113E-02 6483 T= 6385. E= 0.67560483E+03 F= 0.61677322E+03 E0= 0.64473813E+03 EK= 0.51996E+02 SP= 0.67E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339037953083E+03 0.45782E+00 -0.23723E-01 8712 0.226E+01 0.375E-01 RMM: 2 -0.339090328629E+03 -0.52376E-01 -0.24053E-01 5215 0.101E+00 0.207E+00 RMM: 3 -0.339057863034E+03 0.32466E-01 -0.23167E-02 5394 0.358E-01 0.362E-01 RMM: 4 -0.339057117521E+03 0.74551E-03 -0.29972E-03 5422 0.116E-01 0.190E-01 RMM: 5 -0.339057112355E+03 0.51662E-05 -0.40205E-04 3984 0.465E-02 0.191E-01 RMM: 6 -0.339056864793E+03 0.24756E-03 -0.12337E-04 3816 0.310E-02 0.443E-02 RMM: 7 -0.339056897965E+03 -0.33172E-04 -0.52207E-05 3256 0.194E-02 0.802E-02 RMM: 8 -0.339056864198E+03 0.33767E-04 -0.34249E-05 2824 0.186E-02 0.258E-02 RMM: 9 -0.339056863666E+03 0.53166E-06 -0.10649E-05 2474 0.956E-03 6484 T= 6296. E= 0.67560677E+03 F= 0.61721213E+03 E0= 0.64516606E+03 EK= 0.51273E+02 SP= 0.70E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338665880304E+03 0.39098E+00 -0.24630E-01 8704 0.225E+01 0.229E-01 RMM: 2 -0.338697007439E+03 -0.31127E-01 -0.22416E-01 5596 0.963E-01 0.120E+00 RMM: 3 -0.338685149442E+03 0.11858E-01 -0.14997E-02 5620 0.256E-01 0.212E-01 RMM: 4 -0.338684732636E+03 0.41681E-03 -0.11468E-03 4864 0.723E-02 0.940E-02 RMM: 5 -0.338684684661E+03 0.47975E-04 -0.14740E-04 4237 0.286E-02 0.810E-02 RMM: 6 -0.338684647279E+03 0.37382E-04 -0.28214E-05 2675 0.161E-02 0.470E-02 RMM: 7 -0.338684654727E+03 -0.74484E-05 -0.34953E-05 2819 0.174E-02 6485 T= 6217. E= 0.67560728E+03 F= 0.61758433E+03 E0= 0.64553858E+03 EK= 0.50626E+02 SP= 0.72E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338369775486E+03 0.31487E+00 -0.24491E-01 8944 0.224E+01 0.181E-01 RMM: 2 -0.338392947967E+03 -0.23172E-01 -0.20431E-01 5645 0.904E-01 0.747E-01 RMM: 3 -0.338387502546E+03 0.54454E-02 -0.11872E-02 6017 0.221E-01 0.161E-01 RMM: 4 -0.338387237350E+03 0.26520E-03 -0.70316E-04 4817 0.586E-02 0.103E-01 RMM: 5 -0.338387169415E+03 0.67935E-04 -0.93634E-05 3654 0.259E-02 0.587E-02 RMM: 6 -0.338387161476E+03 0.79393E-05 -0.24111E-05 2565 0.147E-02 6486 T= 6148. E= 0.67560709E+03 F= 0.61788183E+03 E0= 0.64584794E+03 EK= 0.50067E+02 SP= 0.75E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338148265691E+03 0.23890E+00 -0.23625E-01 8888 0.223E+01 0.250E-01 RMM: 2 -0.338177447814E+03 -0.29182E-01 -0.19513E-01 5789 0.862E-01 0.127E+00 RMM: 3 -0.338164611247E+03 0.12837E-01 -0.11908E-02 5496 0.239E-01 0.244E-01 RMM: 4 -0.338164164491E+03 0.44676E-03 -0.11770E-03 4852 0.697E-02 0.985E-02 RMM: 5 -0.338164119554E+03 0.44938E-04 -0.14615E-04 4061 0.288E-02 0.819E-02 RMM: 6 -0.338164086018E+03 0.33536E-04 -0.28738E-05 2743 0.158E-02 0.596E-02 RMM: 7 -0.338164105769E+03 -0.19751E-04 -0.49930E-05 3221 0.199E-02 6487 T= 6091. E= 0.67560697E+03 F= 0.61810488E+03 E0= 0.64609161E+03 EK= 0.49598E+02 SP= 0.78E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337997261819E+03 0.16682E+00 -0.22558E-01 8944 0.223E+01 0.271E-01 RMM: 2 -0.338025941491E+03 -0.28680E-01 -0.18949E-01 5639 0.858E-01 0.129E+00 RMM: 3 -0.338012786009E+03 0.13155E-01 -0.12693E-02 5495 0.245E-01 0.272E-01 RMM: 4 -0.338012284394E+03 0.50161E-03 -0.14223E-03 4750 0.789E-02 0.113E-01 RMM: 5 -0.338012276644E+03 0.77501E-05 -0.19936E-04 3963 0.332E-02 6488 T= 6044. E= 0.67560698E+03 F= 0.61825671E+03 E0= 0.64627210E+03 EK= 0.49217E+02 SP= 0.80E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337910946439E+03 0.10134E+00 -0.22728E-01 8984 0.224E+01 0.182E-01 RMM: 2 -0.337934361047E+03 -0.23415E-01 -0.19261E-01 5657 0.881E-01 0.885E-01 RMM: 3 -0.337927590261E+03 0.67708E-02 -0.12250E-02 5859 0.214E-01 0.189E-01 RMM: 4 -0.337927226800E+03 0.36346E-03 -0.76307E-04 4935 0.565E-02 0.102E-01 RMM: 5 -0.337927173693E+03 0.53107E-04 -0.98513E-05 3904 0.245E-02 0.868E-02 RMM: 6 -0.337927169136E+03 0.45574E-05 -0.44867E-05 3087 0.188E-02 6489 T= 6007. E= 0.67560730E+03 F= 0.61834182E+03 E0= 0.64639335E+03 EK= 0.48921E+02 SP= 0.82E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337895539476E+03 0.31634E-01 -0.19881E-01 8928 0.224E+01 0.382E-01 RMM: 2 -0.337948792878E+03 -0.53253E-01 -0.17500E-01 5303 0.865E-01 0.232E+00 RMM: 3 -0.337909313784E+03 0.39479E-01 -0.20451E-02 5363 0.337E-01 0.320E-01 RMM: 4 -0.337908596132E+03 0.71765E-03 -0.24694E-03 5127 0.928E-02 0.104E-01 RMM: 5 -0.337908585490E+03 0.10642E-04 -0.23682E-04 3904 0.371E-02 0.115E-01 RMM: 6 -0.337908501111E+03 0.84379E-04 -0.52764E-05 3260 0.208E-02 0.455E-02 RMM: 7 -0.337908501489E+03 -0.37874E-06 -0.21059E-05 2529 0.143E-02 6490 T= 5981. E= 0.67560733E+03 F= 0.61836049E+03 E0= 0.64645280E+03 EK= 0.48710E+02 SP= 0.85E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337944669573E+03 -0.36168E-01 -0.18413E-01 8904 0.225E+01 0.417E-01 RMM: 2 -0.338001245872E+03 -0.56576E-01 -0.18020E-01 5177 0.940E-01 0.244E+00 RMM: 3 -0.337958716357E+03 0.42530E-01 -0.23250E-02 5377 0.363E-01 0.388E-01 RMM: 4 -0.337957644560E+03 0.10718E-02 -0.29044E-03 5206 0.106E-01 0.114E-01 RMM: 5 -0.337957641882E+03 0.26777E-05 -0.31891E-04 3945 0.398E-02 0.138E-01 RMM: 6 -0.337957515708E+03 0.12617E-03 -0.81081E-05 3596 0.250E-02 0.510E-02 RMM: 7 -0.337957515791E+03 -0.83295E-07 -0.25379E-05 2610 0.145E-02 6491 T= 5966. E= 0.67560688E+03 F= 0.61831147E+03 E0= 0.64644820E+03 EK= 0.48584E+02 SP= 0.86E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338058532395E+03 -0.10102E+00 -0.15987E-01 8840 0.226E+01 0.258E-01 RMM: 2 -0.338086616165E+03 -0.28084E-01 -0.14077E-01 5247 0.792E-01 0.150E+00 RMM: 3 -0.338070207036E+03 0.16409E-01 -0.13280E-02 5426 0.254E-01 0.258E-01 RMM: 4 -0.338069704752E+03 0.50228E-03 -0.13706E-03 4913 0.730E-02 0.826E-02 RMM: 5 -0.338069694188E+03 0.10564E-04 -0.15621E-04 3890 0.313E-02 6492 T= 5961. E= 0.67560618E+03 F= 0.61819930E+03 E0= 0.64638236E+03 EK= 0.48541E+02 SP= 0.88E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338214602611E+03 -0.14490E+00 -0.14945E-01 8648 0.228E+01 0.171E-01 RMM: 2 -0.338233129468E+03 -0.18527E-01 -0.14042E-01 5115 0.811E-01 0.886E-01 RMM: 3 -0.338227035746E+03 0.60937E-02 -0.13238E-02 5774 0.222E-01 0.178E-01 RMM: 4 -0.338226708354E+03 0.32739E-03 -0.76735E-04 5040 0.565E-02 0.969E-02 RMM: 5 -0.338226645878E+03 0.62476E-04 -0.88948E-05 3706 0.248E-02 0.838E-02 RMM: 6 -0.338226631795E+03 0.14084E-04 -0.35777E-05 2793 0.176E-02 6493 T= 5963. E= 0.67560435E+03 F= 0.61804236E+03 E0= 0.64627110E+03 EK= 0.48560E+02 SP= 0.90E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338383653636E+03 -0.15701E+00 -0.13733E-01 8104 0.229E+01 0.393E-01 RMM: 2 -0.338427268017E+03 -0.43614E-01 -0.14458E-01 4752 0.898E-01 0.213E+00 RMM: 3 -0.338395250213E+03 0.32018E-01 -0.21357E-02 5368 0.347E-01 0.391E-01 RMM: 4 -0.338394127233E+03 0.11230E-02 -0.25744E-03 5275 0.100E-01 0.986E-02 RMM: 5 -0.338394132074E+03 -0.48411E-05 -0.29408E-04 3918 0.375E-02 0.112E-01 RMM: 6 -0.338394055279E+03 0.76795E-04 -0.60351E-05 3347 0.221E-02 0.481E-02 RMM: 7 -0.338394047436E+03 0.78425E-05 -0.18192E-05 2523 0.128E-02 6494 T= 5969. E= 0.67560123E+03 F= 0.61787494E+03 E0= 0.64614695E+03 EK= 0.48607E+02 SP= 0.91E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338517979395E+03 -0.12392E+00 -0.12100E-01 8224 0.231E+01 0.376E-01 RMM: 2 -0.338557349603E+03 -0.39370E-01 -0.11258E-01 4980 0.791E-01 0.212E+00 RMM: 3 -0.338526477770E+03 0.30872E-01 -0.18197E-02 5361 0.332E-01 0.375E-01 RMM: 4 -0.338525471754E+03 0.10060E-02 -0.21264E-03 5057 0.933E-02 0.114E-01 RMM: 5 -0.338525455727E+03 0.16026E-04 -0.26897E-04 3907 0.394E-02 0.121E-01 RMM: 6 -0.338525357273E+03 0.98454E-04 -0.66732E-05 3435 0.237E-02 0.468E-02 RMM: 7 -0.338525355142E+03 0.21315E-05 -0.21472E-05 2560 0.138E-02 6495 T= 5973. E= 0.67559822E+03 F= 0.61774363E+03 E0= 0.64605400E+03 EK= 0.48637E+02 SP= 0.92E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338561121455E+03 -0.35764E-01 -0.12001E-01 8032 0.232E+01 0.278E-01 RMM: 2 -0.338586399636E+03 -0.25278E-01 -0.11308E-01 4817 0.795E-01 0.153E+00 RMM: 3 -0.338570549675E+03 0.15850E-01 -0.14667E-02 5412 0.276E-01 0.279E-01 RMM: 4 -0.338569987947E+03 0.56173E-03 -0.14352E-03 4910 0.745E-02 0.841E-02 RMM: 5 -0.338569963359E+03 0.24588E-04 -0.16225E-04 3872 0.336E-02 0.766E-02 RMM: 6 -0.338569925263E+03 0.38096E-04 -0.33228E-05 2797 0.171E-02 0.404E-02 RMM: 7 -0.338569928828E+03 -0.35655E-05 -0.16786E-05 2507 0.135E-02 6496 T= 5968. E= 0.67559554E+03 F= 0.61769906E+03 E0= 0.64604203E+03 EK= 0.48599E+02 SP= 0.93E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338476065601E+03 0.93860E-01 -0.11207E-01 8008 0.233E+01 0.193E-01 RMM: 2 -0.338489336044E+03 -0.13270E-01 -0.78716E-02 5073 0.652E-01 0.988E-01 RMM: 3 -0.338482515778E+03 0.68203E-02 -0.83525E-03 5507 0.198E-01 0.170E-01 RMM: 4 -0.338482308934E+03 0.20684E-03 -0.70268E-04 4684 0.564E-02 0.926E-02 RMM: 5 -0.338482258224E+03 0.50710E-04 -0.93669E-05 3736 0.266E-02 0.638E-02 RMM: 6 -0.338482235177E+03 0.23047E-04 -0.22556E-05 2564 0.144E-02 0.385E-02 RMM: 7 -0.338482235184E+03 -0.70140E-08 -0.15708E-05 2496 0.123E-02 6497 T= 5949. E= 0.67559348E+03 F= 0.61778675E+03 E0= 0.64615444E+03 EK= 0.48448E+02 SP= 0.94E+01 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338220616716E+03 0.26162E+00 -0.10988E-01 8000 0.233E+01 0.159E-01 RMM: 2 -0.338231668778E+03 -0.11052E-01 -0.79793E-02 5035 0.651E-01 0.778E-01 RMM: 3 -0.338227392812E+03 0.42760E-02 -0.81451E-03 5677 0.182E-01 0.151E-01 RMM: 4 -0.338227187311E+03 0.20550E-03 -0.50965E-04 4604 0.490E-02 0.804E-02 RMM: 5 -0.338227151875E+03 0.35436E-04 -0.69765E-05 3441 0.243E-02 0.631E-02 RMM: 6 -0.338227131414E+03 0.20461E-04 -0.23266E-05 2551 0.149E-02 0.407E-02 RMM: 7 -0.338227131279E+03 0.13516E-06 -0.23171E-05 2539 0.142E-02 6498 T= 5913. E= 0.67559194E+03 F= 0.61804186E+03 E0= 0.64642654E+03 EK= 0.48150E+02 SP= 0.94E+01 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337775807183E+03 0.45132E+00 -0.11015E-01 7728 0.232E+01 0.145E-01 RMM: 2 -0.337785518412E+03 -0.97112E-02 -0.82081E-02 5023 0.656E-01 0.606E-01 RMM: 3 -0.337782651956E+03 0.28665E-02 -0.84278E-03 5873 0.176E-01 0.122E-01 RMM: 4 -0.337782489951E+03 0.16201E-03 -0.45030E-04 4532 0.473E-02 0.928E-02 RMM: 5 -0.337782430151E+03 0.59800E-04 -0.62931E-05 3335 0.243E-02 0.523E-02 RMM: 6 -0.337782418884E+03 0.11268E-04 -0.20016E-05 2515 0.134E-02 6499 T= 5855. E= 0.67559204E+03 F= 0.61848657E+03 E0= 0.64688019E+03 EK= 0.47684E+02 SP= 0.94E+01 SK= 0.24E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.337137954220E+03 0.64448E+00 -0.10878E-01 7784 0.231E+01 0.155E-01 RMM: 2 -0.337149313041E+03 -0.11359E-01 -0.81799E-02 5043 0.648E-01 0.774E-01 RMM: 3 -0.337144864847E+03 0.44482E-02 -0.83891E-03 5681 0.182E-01 0.149E-01 RMM: 4 -0.337144654404E+03 0.21044E-03 -0.48320E-04 4672 0.464E-02 0.698E-02 RMM: 5 -0.337144620680E+03 0.33724E-04 -0.47884E-05 2897 0.213E-02 0.591E-02 RMM: 6 -0.337144611156E+03 0.95240E-05 -0.21335E-05 2506 0.144E-02 6500 T= 5778. E= 0.67559393E+03 F= 0.61912438E+03 E0= 0.64751888E+03 EK= 0.47049E+02 SP= 0.94E+01 SK= 0.47E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336326906108E+03 0.81771E+00 -0.10592E-01 7584 0.229E+01 0.258E-01 RMM: 2 -0.336346424863E+03 -0.19519E-01 -0.74212E-02 5047 0.651E-01 0.140E+00 RMM: 3 -0.336332690357E+03 0.13735E-01 -0.10120E-02 5392 0.236E-01 0.275E-01 RMM: 4 -0.336332145574E+03 0.54478E-03 -0.11079E-03 4678 0.692E-02 0.693E-02 RMM: 5 -0.336332122324E+03 0.23250E-04 -0.11772E-04 4013 0.262E-02 0.703E-02 RMM: 6 -0.336332096619E+03 0.25705E-04 -0.21605E-05 2560 0.141E-02 0.447E-02 RMM: 7 -0.336332106211E+03 -0.95918E-05 -0.24696E-05 2590 0.152E-02 6501 T= 5681. E= 0.67559687E+03 F= 0.61993688E+03 E0= 0.64832494E+03 EK= 0.46265E+02 SP= 0.94E+01 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335380865499E+03 0.95123E+00 -0.10123E-01 7472 0.226E+01 0.244E-01 RMM: 2 -0.335398298657E+03 -0.17433E-01 -0.75153E-02 5101 0.640E-01 0.129E+00 RMM: 3 -0.335386622870E+03 0.11676E-01 -0.90584E-03 5440 0.216E-01 0.239E-01 RMM: 4 -0.335386276676E+03 0.34619E-03 -0.10836E-03 4661 0.727E-02 0.122E-01 RMM: 5 -0.335386289276E+03 -0.12600E-04 -0.17736E-04 3872 0.347E-02 6502 T= 5572. E= 0.67560236E+03 F= 0.62088270E+03 E0= 0.64925836E+03 EK= 0.45377E+02 SP= 0.93E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334362788250E+03 0.10235E+01 -0.96665E-02 7760 0.223E+01 0.186E-01 RMM: 2 -0.334377746007E+03 -0.14958E-01 -0.90541E-02 5176 0.682E-01 0.102E+00 RMM: 3 -0.334370357201E+03 0.73888E-02 -0.96889E-03 5596 0.197E-01 0.172E-01 RMM: 4 -0.334370098167E+03 0.25903E-03 -0.66028E-04 4958 0.511E-02 0.726E-02 RMM: 5 -0.334370047134E+03 0.51033E-04 -0.63417E-05 3320 0.230E-02 0.626E-02 RMM: 6 -0.334370033686E+03 0.13448E-04 -0.25074E-05 2543 0.151E-02 6503 T= 5458. E= 0.67560925E+03 F= 0.62189896E+03 E0= 0.65025515E+03 EK= 0.44449E+02 SP= 0.92E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333354872216E+03 0.10152E+01 -0.95942E-02 7536 0.220E+01 0.228E-01 RMM: 2 -0.333374978633E+03 -0.20106E-01 -0.88490E-02 5014 0.679E-01 0.134E+00 RMM: 3 -0.333362282739E+03 0.12696E-01 -0.11068E-02 5439 0.228E-01 0.238E-01 RMM: 4 -0.333361859142E+03 0.42360E-03 -0.10153E-03 4774 0.653E-02 0.716E-02 RMM: 5 -0.333361835369E+03 0.23773E-04 -0.11493E-04 4008 0.251E-02 0.706E-02 RMM: 6 -0.333361808478E+03 0.26891E-04 -0.21868E-05 2564 0.142E-02 0.448E-02 RMM: 7 -0.333361811452E+03 -0.29734E-05 -0.20251E-05 2517 0.141E-02 6504 T= 5349. E= 0.67561531E+03 F= 0.62290718E+03 E0= 0.65124062E+03 EK= 0.43559E+02 SP= 0.91E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332441730560E+03 0.92008E+00 -0.89972E-02 7704 0.217E+01 0.329E-01 RMM: 2 -0.332468711815E+03 -0.26981E-01 -0.85953E-02 5056 0.716E-01 0.177E+00 RMM: 3 -0.332447858403E+03 0.20853E-01 -0.12597E-02 5423 0.268E-01 0.320E-01 RMM: 4 -0.332447132089E+03 0.72631E-03 -0.16717E-03 4810 0.898E-02 0.116E-01 RMM: 5 -0.332447219646E+03 -0.87557E-04 -0.25953E-04 3888 0.392E-02 0.164E-01 RMM: 6 -0.332447041315E+03 0.17833E-03 -0.77844E-05 3516 0.264E-02 0.376E-02 RMM: 7 -0.332447034274E+03 0.70415E-05 -0.16700E-05 2521 0.120E-02 6505 T= 5255. E= 0.67562140E+03 F= 0.62382196E+03 E0= 0.65213115E+03 EK= 0.42797E+02 SP= 0.89E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331702988744E+03 0.74405E+00 -0.85025E-02 7848 0.215E+01 0.198E-01 RMM: 2 -0.331716473877E+03 -0.13485E-01 -0.70922E-02 5176 0.618E-01 0.106E+00 RMM: 3 -0.331708695921E+03 0.77780E-02 -0.76264E-03 5528 0.191E-01 0.186E-01 RMM: 4 -0.331708447547E+03 0.24837E-03 -0.67902E-04 4709 0.535E-02 0.793E-02 RMM: 5 -0.331708403247E+03 0.44300E-04 -0.82471E-05 3682 0.236E-02 0.633E-02 RMM: 6 -0.331708379359E+03 0.23888E-04 -0.21216E-05 2552 0.140E-02 0.380E-02 RMM: 7 -0.331708379293E+03 0.66126E-07 -0.15451E-05 2500 0.117E-02 6506 T= 5188. E= 0.67562635E+03 F= 0.62456061E+03 E0= 0.65284733E+03 EK= 0.42246E+02 SP= 0.87E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331208324751E+03 0.50005E+00 -0.83837E-02 7960 0.214E+01 0.182E-01 RMM: 2 -0.331219618088E+03 -0.11293E-01 -0.73426E-02 5008 0.639E-01 0.884E-01 RMM: 3 -0.331214293594E+03 0.53245E-02 -0.83568E-03 5634 0.192E-01 0.136E-01 RMM: 4 -0.331214131721E+03 0.16187E-03 -0.60616E-04 4862 0.489E-02 0.774E-02 RMM: 5 -0.331214112891E+03 0.18830E-04 -0.73587E-05 3559 0.244E-02 6507 T= 5155. E= 0.67563026E+03 F= 0.62505488E+03 E0= 0.65332375E+03 EK= 0.41977E+02 SP= 0.84E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331004397011E+03 0.20973E+00 -0.87325E-02 7848 0.213E+01 0.116E-01 RMM: 2 -0.331013640121E+03 -0.92431E-02 -0.81559E-02 5064 0.655E-01 0.519E-01 RMM: 3 -0.331011613168E+03 0.20270E-02 -0.84688E-03 6098 0.162E-01 0.112E-01 RMM: 4 -0.331011395320E+03 0.21785E-03 -0.31598E-04 4352 0.423E-02 0.802E-02 RMM: 5 -0.331011352746E+03 0.42574E-04 -0.40531E-05 2926 0.203E-02 0.583E-02 RMM: 6 -0.331011344877E+03 0.78696E-05 -0.20923E-05 2512 0.136E-02 6508 T= 5162. E= 0.67563219E+03 F= 0.62525764E+03 E0= 0.65351667E+03 EK= 0.42037E+02 SP= 0.81E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331112385830E+03 -0.10103E+00 -0.89739E-02 7632 0.214E+01 0.233E-01 RMM: 2 -0.331132860054E+03 -0.20474E-01 -0.86761E-02 4852 0.695E-01 0.138E+00 RMM: 3 -0.331119506279E+03 0.13354E-01 -0.11041E-02 5443 0.232E-01 0.204E-01 RMM: 4 -0.331119191144E+03 0.31514E-03 -0.10201E-03 4745 0.638E-02 0.721E-02 RMM: 5 -0.331119197995E+03 -0.68513E-05 -0.12683E-04 3856 0.279E-02 6509 T= 5213. E= 0.67563173E+03 F= 0.62514979E+03 E0= 0.65340910E+03 EK= 0.42449E+02 SP= 0.77E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331519849443E+03 -0.40066E+00 -0.90180E-02 7576 0.217E+01 0.235E-01 RMM: 2 -0.331540245686E+03 -0.20396E-01 -0.80526E-02 5061 0.686E-01 0.143E+00 RMM: 3 -0.331526316652E+03 0.13929E-01 -0.10159E-02 5463 0.226E-01 0.203E-01 RMM: 4 -0.331526009496E+03 0.30716E-03 -0.98670E-04 4704 0.642E-02 0.966E-02 RMM: 5 -0.331525970824E+03 0.38673E-04 -0.12531E-04 3862 0.281E-02 0.795E-02 RMM: 6 -0.331525934430E+03 0.36394E-04 -0.27849E-05 2694 0.162E-02 0.447E-02 RMM: 7 -0.331525937230E+03 -0.27997E-05 -0.20687E-05 2528 0.137E-02 6510 T= 5305. E= 0.67562938E+03 F= 0.62474305E+03 E0= 0.65301496E+03 EK= 0.43201E+02 SP= 0.73E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332184002972E+03 -0.65807E+00 -0.10003E-01 7768 0.219E+01 0.192E-01 RMM: 2 -0.332198479972E+03 -0.14477E-01 -0.93482E-02 4765 0.736E-01 0.963E-01 RMM: 3 -0.332192004996E+03 0.64750E-02 -0.10807E-02 5649 0.207E-01 0.166E-01 RMM: 4 -0.332191749694E+03 0.25530E-03 -0.73307E-04 4735 0.589E-02 0.897E-02 RMM: 5 -0.332191723449E+03 0.26245E-04 -0.11132E-04 3736 0.277E-02 0.708E-02 RMM: 6 -0.332191691355E+03 0.32094E-04 -0.27871E-05 2777 0.161E-02 0.186E-02 RMM: 7 -0.332191693843E+03 -0.24879E-05 -0.98426E-06 2475 0.103E-02 6511 T= 5435. E= 0.67562539E+03 F= 0.62407730E+03 E0= 0.65237469E+03 EK= 0.44256E+02 SP= 0.68E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333048515912E+03 -0.85682E+00 -0.10068E-01 7880 0.223E+01 0.149E-01 RMM: 2 -0.333058980231E+03 -0.10464E-01 -0.84757E-02 4892 0.704E-01 0.663E-01 RMM: 3 -0.333055995169E+03 0.29851E-02 -0.97947E-03 5914 0.182E-01 0.117E-01 RMM: 4 -0.333055801583E+03 0.19359E-03 -0.46487E-04 4478 0.515E-02 0.109E-01 RMM: 5 -0.333055718384E+03 0.83199E-04 -0.83123E-05 3541 0.267E-02 0.527E-02 RMM: 6 -0.333055704169E+03 0.14215E-04 -0.21285E-05 2533 0.134E-02 6512 T= 5594. E= 0.67562040E+03 F= 0.62321329E+03 E0= 0.65154771E+03 EK= 0.45553E+02 SP= 0.63E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334036567499E+03 -0.98085E+00 -0.10889E-01 7536 0.227E+01 0.153E-01 RMM: 2 -0.334049197441E+03 -0.12630E-01 -0.98735E-02 4792 0.747E-01 0.745E-01 RMM: 3 -0.334045341631E+03 0.38558E-02 -0.11511E-02 5849 0.198E-01 0.147E-01 RMM: 4 -0.334045046993E+03 0.29464E-03 -0.54488E-04 4729 0.534E-02 0.720E-02 RMM: 5 -0.334045015649E+03 0.31344E-04 -0.73753E-05 3555 0.244E-02 0.593E-02 RMM: 6 -0.334045000064E+03 0.15585E-04 -0.21835E-05 2534 0.141E-02 6513 T= 5774. E= 0.67561527E+03 F= 0.62222399E+03 E0= 0.65060611E+03 EK= 0.47019E+02 SP= 0.57E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335076744738E+03 -0.10317E+01 -0.10571E-01 7480 0.231E+01 0.294E-01 RMM: 2 -0.335099967181E+03 -0.23222E-01 -0.88034E-02 4968 0.743E-01 0.155E+00 RMM: 3 -0.335083487712E+03 0.16479E-01 -0.12442E-02 5361 0.265E-01 0.267E-01 RMM: 4 -0.335083000324E+03 0.48739E-03 -0.13652E-03 4701 0.763E-02 0.990E-02 RMM: 5 -0.335082973501E+03 0.26823E-04 -0.17984E-04 3875 0.337E-02 0.977E-02 RMM: 6 -0.335082912170E+03 0.61331E-04 -0.42128E-05 3054 0.199E-02 0.387E-02 RMM: 7 -0.335082912552E+03 -0.38205E-06 -0.17699E-05 2505 0.133E-02 6514 T= 5965. E= 0.67561055E+03 F= 0.62118608E+03 E0= 0.64962444E+03 EK= 0.48575E+02 SP= 0.52E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336089146078E+03 -0.10062E+01 -0.10466E-01 7544 0.235E+01 0.233E-01 RMM: 2 -0.336106166194E+03 -0.17020E-01 -0.87626E-02 4931 0.723E-01 0.119E+00 RMM: 3 -0.336096474898E+03 0.96913E-02 -0.10818E-02 5400 0.233E-01 0.248E-01 RMM: 4 -0.336096081299E+03 0.39360E-03 -0.11269E-03 4671 0.721E-02 0.113E-01 RMM: 5 -0.336096051882E+03 0.29416E-04 -0.18221E-04 3870 0.363E-02 0.103E-01 RMM: 6 -0.336095977350E+03 0.74532E-04 -0.48487E-05 3167 0.208E-02 0.352E-02 RMM: 7 -0.336095979244E+03 -0.18938E-05 -0.19116E-05 2520 0.137E-02 6515 T= 6157. E= 0.67560638E+03 F= 0.62017301E+03 E0= 0.64867334E+03 EK= 0.50143E+02 SP= 0.46E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337011780854E+03 -0.91580E+00 -0.10898E-01 7544 0.239E+01 0.190E-01 RMM: 2 -0.337024735996E+03 -0.12955E-01 -0.87385E-02 4916 0.725E-01 0.911E-01 RMM: 3 -0.337019180117E+03 0.55559E-02 -0.10168E-02 5632 0.208E-01 0.160E-01 RMM: 4 -0.337018981761E+03 0.19836E-03 -0.65966E-04 4767 0.563E-02 0.102E-01 RMM: 5 -0.337018913741E+03 0.68020E-04 -0.10344E-04 3737 0.282E-02 0.676E-02 RMM: 6 -0.337018889396E+03 0.24345E-04 -0.27529E-05 2621 0.158E-02 0.395E-02 RMM: 7 -0.337018888715E+03 0.68080E-06 -0.17788E-05 2509 0.132E-02 6516 T= 6343. E= 0.67560273E+03 F= 0.61925010E+03 E0= 0.64781460E+03 EK= 0.51651E+02 SP= 0.39E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337786930471E+03 -0.76804E+00 -0.11363E-01 7672 0.242E+01 0.164E-01 RMM: 2 -0.337798459763E+03 -0.11529E-01 -0.95465E-02 4860 0.756E-01 0.689E-01 RMM: 3 -0.337795301634E+03 0.31581E-02 -0.11385E-02 5932 0.201E-01 0.144E-01 RMM: 4 -0.337795038922E+03 0.26271E-03 -0.56107E-04 4640 0.569E-02 0.107E-01 RMM: 5 -0.337794959164E+03 0.79758E-04 -0.10096E-04 3696 0.299E-02 0.568E-02 RMM: 6 -0.337794945435E+03 0.13729E-04 -0.23644E-05 2551 0.142E-02 6517 T= 6513. E= 0.67559983E+03 F= 0.61847404E+03 E0= 0.64710335E+03 EK= 0.53035E+02 SP= 0.33E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338364861387E+03 -0.56990E+00 -0.11997E-01 7624 0.244E+01 0.172E-01 RMM: 2 -0.338381037306E+03 -0.16176E-01 -0.11844E-01 4751 0.833E-01 0.894E-01 RMM: 3 -0.338375422740E+03 0.56146E-02 -0.14235E-02 5835 0.228E-01 0.175E-01 RMM: 4 -0.338375055237E+03 0.36750E-03 -0.71461E-04 4766 0.618E-02 0.869E-02 RMM: 5 -0.338375002216E+03 0.53021E-04 -0.10243E-04 3796 0.290E-02 0.613E-02 RMM: 6 -0.338374987869E+03 0.14347E-04 -0.24413E-05 2539 0.145E-02 6518 T= 6660. E= 0.67559742E+03 F= 0.61789400E+03 E0= 0.64658555E+03 EK= 0.54239E+02 SP= 0.27E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338705785125E+03 -0.33078E+00 -0.11742E-01 7520 0.246E+01 0.282E-01 RMM: 2 -0.338732025193E+03 -0.26240E-01 -0.11408E-01 4862 0.840E-01 0.157E+00 RMM: 3 -0.338715139850E+03 0.16885E-01 -0.14861E-02 5417 0.278E-01 0.291E-01 RMM: 4 -0.338714510788E+03 0.62906E-03 -0.14828E-03 4865 0.804E-02 0.762E-02 RMM: 5 -0.338714490251E+03 0.20537E-04 -0.18166E-04 4047 0.312E-02 0.852E-02 RMM: 6 -0.338714449816E+03 0.40436E-04 -0.33047E-05 2752 0.177E-02 0.446E-02 RMM: 7 -0.338714456906E+03 -0.70899E-05 -0.22842E-05 2535 0.147E-02 6519 T= 6780. E= 0.67559519E+03 F= 0.61755453E+03 E0= 0.64630420E+03 EK= 0.55208E+02 SP= 0.21E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338762923316E+03 -0.48474E-01 -0.11374E-01 7504 0.248E+01 0.224E-01 RMM: 2 -0.338780026427E+03 -0.17103E-01 -0.10178E-01 4873 0.778E-01 0.111E+00 RMM: 3 -0.338771513855E+03 0.85126E-02 -0.12447E-02 5556 0.238E-01 0.221E-01 RMM: 4 -0.338771181416E+03 0.33244E-03 -0.10770E-03 4766 0.723E-02 0.118E-01 RMM: 5 -0.338771116938E+03 0.64478E-04 -0.16142E-04 3856 0.333E-02 0.839E-02 RMM: 6 -0.338771072803E+03 0.44135E-04 -0.35145E-05 2941 0.179E-02 0.330E-02 RMM: 7 -0.338771076039E+03 -0.32363E-05 -0.17116E-05 2502 0.131E-02 6520 T= 6864. E= 0.67559390E+03 F= 0.61749791E+03 E0= 0.64629775E+03 EK= 0.55894E+02 SP= 0.15E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338502276056E+03 0.26880E+00 -0.11857E-01 7608 0.249E+01 0.187E-01 RMM: 2 -0.338517553000E+03 -0.15277E-01 -0.11223E-01 4903 0.805E-01 0.910E-01 RMM: 3 -0.338511909545E+03 0.56435E-02 -0.13011E-02 5797 0.222E-01 0.155E-01 RMM: 4 -0.338511617277E+03 0.29227E-03 -0.70678E-04 4832 0.589E-02 0.910E-02 RMM: 5 -0.338511565093E+03 0.52184E-04 -0.99681E-05 3750 0.273E-02 0.703E-02 RMM: 6 -0.338511539720E+03 0.25373E-04 -0.26373E-05 2557 0.156E-02 0.418E-02 RMM: 7 -0.338511539202E+03 0.51860E-06 -0.18218E-05 2513 0.128E-02 6521 T= 6908. E= 0.67559344E+03 F= 0.61775745E+03 E0= 0.64659710E+03 EK= 0.56256E+02 SP= 0.91E+00 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337904933448E+03 0.60661E+00 -0.12179E-01 7496 0.250E+01 0.174E-01 RMM: 2 -0.337919661721E+03 -0.14728E-01 -0.11576E-01 4856 0.807E-01 0.806E-01 RMM: 3 -0.337915064839E+03 0.45969E-02 -0.13565E-02 5998 0.214E-01 0.157E-01 RMM: 4 -0.337914718361E+03 0.34648E-03 -0.64750E-04 4728 0.597E-02 0.936E-02 RMM: 5 -0.337914666446E+03 0.51914E-04 -0.94761E-05 3621 0.277E-02 0.639E-02 RMM: 6 -0.337914645093E+03 0.21353E-04 -0.24888E-05 2560 0.152E-02 0.363E-02 RMM: 7 -0.337914645716E+03 -0.62265E-06 -0.16319E-05 2495 0.125E-02 6522 T= 6910. E= 0.67559409E+03 F= 0.61835434E+03 E0= 0.64722214E+03 EK= 0.56268E+02 SP= 0.33E+00 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336967488660E+03 0.94716E+00 -0.13263E-01 7464 0.249E+01 0.166E-01 RMM: 2 -0.336982039531E+03 -0.14551E-01 -0.12954E-01 4921 0.850E-01 0.665E-01 RMM: 3 -0.336978721489E+03 0.33180E-02 -0.14362E-02 6100 0.212E-01 0.116E-01 RMM: 4 -0.336978457363E+03 0.26413E-03 -0.62811E-04 4751 0.604E-02 0.131E-01 RMM: 5 -0.336978347763E+03 0.10960E-03 -0.99140E-05 3651 0.290E-02 0.585E-02 RMM: 6 -0.336978330591E+03 0.17172E-04 -0.24104E-05 2552 0.147E-02 6523 T= 6867. E= 0.67559748E+03 F= 0.61929066E+03 E0= 0.64817379E+03 EK= 0.55924E+02 SP= -.22E+00 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335720964982E+03 0.12574E+01 -0.12273E-01 7352 0.248E+01 0.200E-01 RMM: 2 -0.335737978348E+03 -0.17013E-01 -0.11392E-01 4920 0.800E-01 0.102E+00 RMM: 3 -0.335730807165E+03 0.71712E-02 -0.13082E-02 5756 0.224E-01 0.204E-01 RMM: 4 -0.335730392166E+03 0.41500E-03 -0.77295E-04 4801 0.616E-02 0.860E-02 RMM: 5 -0.335730348131E+03 0.44036E-04 -0.10790E-04 3829 0.272E-02 0.714E-02 RMM: 6 -0.335730323461E+03 0.24669E-04 -0.27001E-05 2634 0.159E-02 0.517E-02 RMM: 7 -0.335730332505E+03 -0.90436E-05 -0.49484E-05 3115 0.202E-02 6524 T= 6785. E= 0.67560274E+03 F= 0.62053866E+03 E0= 0.64942439E+03 EK= 0.55250E+02 SP= -.76E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334220017050E+03 0.15103E+01 -0.11929E-01 7432 0.246E+01 0.229E-01 RMM: 2 -0.334234996380E+03 -0.14979E-01 -0.94481E-02 4893 0.760E-01 0.103E+00 RMM: 3 -0.334227775711E+03 0.72207E-02 -0.11420E-02 5659 0.223E-01 0.214E-01 RMM: 4 -0.334227477700E+03 0.29801E-03 -0.10089E-03 4712 0.737E-02 0.134E-01 RMM: 5 -0.334227397505E+03 0.80195E-04 -0.15122E-04 3808 0.307E-02 0.917E-02 RMM: 6 -0.334227345108E+03 0.52397E-04 -0.33207E-05 2905 0.182E-02 0.282E-02 RMM: 7 -0.334227345293E+03 -0.18540E-06 -0.13128E-05 2485 0.112E-02 6525 T= 6668. E= 0.67561028E+03 F= 0.62204164E+03 E0= 0.65091824E+03 EK= 0.54304E+02 SP= -.13E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332546189647E+03 0.16812E+01 -0.11585E-01 7472 0.243E+01 0.187E-01 RMM: 2 -0.332559835241E+03 -0.13646E-01 -0.97504E-02 4986 0.751E-01 0.890E-01 RMM: 3 -0.332554418103E+03 0.54171E-02 -0.10796E-02 5834 0.206E-01 0.167E-01 RMM: 4 -0.332554146279E+03 0.27182E-03 -0.61101E-04 4732 0.562E-02 0.102E-01 RMM: 5 -0.332554080334E+03 0.65945E-04 -0.94301E-05 3623 0.269E-02 0.724E-02 RMM: 6 -0.332554052029E+03 0.28305E-04 -0.28818E-05 2697 0.166E-02 0.459E-02 RMM: 7 -0.332554049811E+03 0.22180E-05 -0.22873E-05 2531 0.142E-02 6526 T= 6529. E= 0.67561938E+03 F= 0.62371494E+03 E0= 0.65257290E+03 EK= 0.53172E+02 SP= -.18E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330807067555E+03 0.17470E+01 -0.11707E-01 7480 0.240E+01 0.190E-01 RMM: 2 -0.330820008145E+03 -0.12941E-01 -0.97313E-02 4778 0.777E-01 0.823E-01 RMM: 3 -0.330815441298E+03 0.45668E-02 -0.12177E-02 5761 0.222E-01 0.150E-01 RMM: 4 -0.330815206294E+03 0.23500E-03 -0.67326E-04 4798 0.578E-02 0.101E-01 RMM: 5 -0.330815156545E+03 0.49749E-04 -0.95205E-05 3653 0.285E-02 0.680E-02 RMM: 6 -0.330815130970E+03 0.25575E-04 -0.26024E-05 2583 0.156E-02 0.364E-02 RMM: 7 -0.330815133625E+03 -0.26549E-05 -0.14745E-05 2489 0.124E-02 6527 T= 6381. E= 0.67562856E+03 F= 0.62545386E+03 E0= 0.65428574E+03 EK= 0.51962E+02 SP= -.23E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329109076699E+03 0.17061E+01 -0.11980E-01 7672 0.237E+01 0.169E-01 RMM: 2 -0.329121619636E+03 -0.12543E-01 -0.10184E-01 4754 0.789E-01 0.735E-01 RMM: 3 -0.329117933796E+03 0.36858E-02 -0.12266E-02 5894 0.214E-01 0.137E-01 RMM: 4 -0.329117710772E+03 0.22302E-03 -0.58895E-04 4700 0.583E-02 0.114E-01 RMM: 5 -0.329117636547E+03 0.74226E-04 -0.98852E-05 3632 0.298E-02 0.692E-02 RMM: 6 -0.329117608135E+03 0.28412E-04 -0.29988E-05 2710 0.168E-02 0.362E-02 RMM: 7 -0.329117606417E+03 0.17178E-05 -0.14837E-05 2485 0.124E-02 6528 T= 6236. E= 0.67563649E+03 F= 0.62715138E+03 E0= 0.65595216E+03 EK= 0.50785E+02 SP= -.29E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327543237886E+03 0.15744E+01 -0.11758E-01 7672 0.234E+01 0.162E-01 RMM: 2 -0.327555279551E+03 -0.12042E-01 -0.96751E-02 4725 0.771E-01 0.724E-01 RMM: 3 -0.327551651713E+03 0.36278E-02 -0.11737E-02 5847 0.213E-01 0.143E-01 RMM: 4 -0.327551408758E+03 0.24296E-03 -0.55560E-04 4816 0.546E-02 0.822E-02 RMM: 5 -0.327551373606E+03 0.35151E-04 -0.78811E-05 3486 0.272E-02 0.624E-02 RMM: 6 -0.327551353824E+03 0.19782E-04 -0.24197E-05 2545 0.151E-02 6529 T= 6107. E= 0.67564223E+03 F= 0.62871764E+03 E0= 0.65748443E+03 EK= 0.49735E+02 SP= -.34E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326166055589E+03 0.13853E+01 -0.11799E-01 7688 0.232E+01 0.183E-01 RMM: 2 -0.326184060701E+03 -0.18005E-01 -0.11306E-01 4714 0.819E-01 0.107E+00 RMM: 3 -0.326175923452E+03 0.81372E-02 -0.13450E-02 5606 0.238E-01 0.176E-01 RMM: 4 -0.326175619197E+03 0.30426E-03 -0.80580E-04 4886 0.610E-02 0.723E-02 RMM: 5 -0.326175591092E+03 0.28105E-04 -0.95782E-05 3790 0.284E-02 0.619E-02 RMM: 6 -0.326175575078E+03 0.16014E-04 -0.22013E-05 2533 0.141E-02 6530 T= 6002. E= 0.67564589E+03 F= 0.63009341E+03 E0= 0.65882506E+03 EK= 0.48878E+02 SP= -.40E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325008364373E+03 0.11672E+01 -0.11026E-01 7856 0.231E+01 0.240E-01 RMM: 2 -0.325029020460E+03 -0.20656E-01 -0.89341E-02 4798 0.738E-01 0.138E+00 RMM: 3 -0.325015663974E+03 0.13356E-01 -0.11797E-02 5395 0.252E-01 0.246E-01 RMM: 4 -0.325015224143E+03 0.43983E-03 -0.11314E-03 4773 0.713E-02 0.722E-02 RMM: 5 -0.325015201640E+03 0.22503E-04 -0.12438E-04 4289 0.259E-02 0.688E-02 RMM: 6 -0.325015179993E+03 0.21647E-04 -0.19667E-05 2549 0.130E-02 0.497E-02 RMM: 7 -0.325015190903E+03 -0.10910E-04 -0.24456E-05 2581 0.156E-02 6531 T= 5924. E= 0.67564633E+03 F= 0.63125380E+03 E0= 0.65995114E+03 EK= 0.48243E+02 SP= -.45E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324050739341E+03 0.96444E+00 -0.12375E-01 7744 0.230E+01 0.267E-01 RMM: 2 -0.324072651103E+03 -0.21912E-01 -0.12516E-01 4748 0.853E-01 0.127E+00 RMM: 3 -0.324061234895E+03 0.11416E-01 -0.15749E-02 5483 0.275E-01 0.294E-01 RMM: 4 -0.324060609481E+03 0.62541E-03 -0.14894E-03 4949 0.842E-02 0.105E-01 RMM: 5 -0.324060668332E+03 -0.58851E-04 -0.24175E-04 3922 0.373E-02 0.144E-01 RMM: 6 -0.324060530040E+03 0.13829E-03 -0.79394E-05 3517 0.262E-02 0.382E-02 RMM: 7 -0.324060525878E+03 0.41620E-05 -0.16940E-05 2522 0.125E-02 6532 T= 5873. E= 0.67564473E+03 F= 0.63220846E+03 E0= 0.66087314E+03 EK= 0.47826E+02 SP= -.51E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323268036660E+03 0.79249E+00 -0.11222E-01 7840 0.230E+01 0.218E-01 RMM: 2 -0.323285449492E+03 -0.17413E-01 -0.10152E-01 4880 0.750E-01 0.114E+00 RMM: 3 -0.323276420708E+03 0.90288E-02 -0.11928E-02 5513 0.238E-01 0.201E-01 RMM: 4 -0.323276097195E+03 0.32351E-03 -0.90222E-04 4865 0.619E-02 0.893E-02 RMM: 5 -0.323276044978E+03 0.52217E-04 -0.10485E-04 3778 0.279E-02 0.704E-02 RMM: 6 -0.323276016298E+03 0.28679E-04 -0.23422E-05 2564 0.142E-02 0.478E-02 RMM: 7 -0.323276013258E+03 0.30402E-05 -0.24197E-05 2584 0.149E-02 6533 T= 5845. E= 0.67564238E+03 F= 0.63299298E+03 E0= 0.66162874E+03 EK= 0.47596E+02 SP= -.57E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322609624105E+03 0.66639E+00 -0.11201E-01 8088 0.231E+01 0.212E-01 RMM: 2 -0.322625511221E+03 -0.15887E-01 -0.90414E-02 4893 0.718E-01 0.109E+00 RMM: 3 -0.322617125891E+03 0.83853E-02 -0.11067E-02 5541 0.228E-01 0.206E-01 RMM: 4 -0.322616792615E+03 0.33328E-03 -0.86161E-04 4757 0.623E-02 0.843E-02 RMM: 5 -0.322616771346E+03 0.21269E-04 -0.11362E-04 3826 0.286E-02 0.779E-02 RMM: 6 -0.322616735309E+03 0.36037E-04 -0.26401E-05 2698 0.156E-02 0.408E-02 RMM: 7 -0.322616736953E+03 -0.16438E-05 -0.14605E-05 2499 0.124E-02 6534 T= 5834. E= 0.67564014E+03 F= 0.63365225E+03 E0= 0.66226298E+03 EK= 0.47512E+02 SP= -.64E+01 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322034335478E+03 0.58240E+00 -0.12289E-01 7936 0.232E+01 0.213E-01 RMM: 2 -0.322051608646E+03 -0.17273E-01 -0.11978E-01 4859 0.813E-01 0.102E+00 RMM: 3 -0.322044375164E+03 0.72335E-02 -0.13970E-02 5738 0.238E-01 0.172E-01 RMM: 4 -0.322044089895E+03 0.28527E-03 -0.86488E-04 4834 0.636E-02 0.115E-01 RMM: 5 -0.322044014480E+03 0.75415E-04 -0.12135E-04 3796 0.288E-02 0.816E-02 RMM: 6 -0.322043973875E+03 0.40605E-04 -0.32653E-05 2853 0.174E-02 0.399E-02 RMM: 7 -0.322043972674E+03 0.12007E-05 -0.18359E-05 2507 0.134E-02 6535 T= 5838. E= 0.67563885E+03 F= 0.63422502E+03 E0= 0.66281560E+03 EK= 0.47538E+02 SP= -.71E+01 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321529434717E+03 0.51454E+00 -0.11637E-01 8016 0.232E+01 0.209E-01 RMM: 2 -0.321545594165E+03 -0.16159E-01 -0.10415E-01 5091 0.743E-01 0.102E+00 RMM: 3 -0.321538096608E+03 0.74976E-02 -0.11295E-02 5718 0.215E-01 0.194E-01 RMM: 4 -0.321537770145E+03 0.32646E-03 -0.77848E-04 4733 0.606E-02 0.102E-01 RMM: 5 -0.321537714031E+03 0.56113E-04 -0.11244E-04 3784 0.274E-02 0.802E-02 RMM: 6 -0.321537675289E+03 0.38743E-04 -0.30907E-05 2849 0.172E-02 0.461E-02 RMM: 7 -0.321537677496E+03 -0.22072E-05 -0.22824E-05 2540 0.144E-02 6536 T= 5852. E= 0.67563941E+03 F= 0.63473131E+03 E0= 0.66330730E+03 EK= 0.47657E+02 SP= -.78E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321098020734E+03 0.43965E+00 -0.11587E-01 7952 0.232E+01 0.220E-01 RMM: 2 -0.321114427590E+03 -0.16407E-01 -0.11840E-01 5065 0.787E-01 0.977E-01 RMM: 3 -0.321107668719E+03 0.67589E-02 -0.12729E-02 5830 0.221E-01 0.159E-01 RMM: 4 -0.321107416454E+03 0.25227E-03 -0.80739E-04 4772 0.620E-02 0.127E-01 RMM: 5 -0.321107325997E+03 0.90457E-04 -0.11838E-04 3788 0.276E-02 0.829E-02 RMM: 6 -0.321107285705E+03 0.40292E-04 -0.32879E-05 2890 0.177E-02 0.401E-02 RMM: 7 -0.321107286863E+03 -0.11579E-05 -0.18540E-05 2508 0.134E-02 6537 T= 5879. E= 0.67564174E+03 F= 0.63516170E+03 E0= 0.66372966E+03 EK= 0.47877E+02 SP= -.85E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320781138914E+03 0.32615E+00 -0.11723E-01 7720 0.232E+01 0.202E-01 RMM: 2 -0.320798603368E+03 -0.17464E-01 -0.13213E-01 5001 0.820E-01 0.920E-01 RMM: 3 -0.320792430879E+03 0.61725E-02 -0.14315E-02 5902 0.221E-01 0.177E-01 RMM: 4 -0.320792071820E+03 0.35906E-03 -0.78067E-04 4747 0.636E-02 0.125E-01 RMM: 5 -0.320791970516E+03 0.10130E-03 -0.12364E-04 3799 0.280E-02 0.794E-02 RMM: 6 -0.320791934868E+03 0.35648E-04 -0.31830E-05 2857 0.172E-02 0.469E-02 RMM: 7 -0.320791934818E+03 0.49844E-07 -0.26496E-05 2548 0.154E-02 6538 T= 5924. E= 0.67564520E+03 F= 0.63547705E+03 E0= 0.66404476E+03 EK= 0.48239E+02 SP= -.92E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320644253943E+03 0.14768E+00 -0.11205E-01 7520 0.232E+01 0.230E-01 RMM: 2 -0.320661864061E+03 -0.17610E-01 -0.12737E-01 5038 0.816E-01 0.990E-01 RMM: 3 -0.320654743277E+03 0.71208E-02 -0.13951E-02 5783 0.230E-01 0.177E-01 RMM: 4 -0.320654431139E+03 0.31214E-03 -0.88852E-04 4792 0.646E-02 0.124E-01 RMM: 5 -0.320654348622E+03 0.82517E-04 -0.12985E-04 3901 0.276E-02 0.881E-02 RMM: 6 -0.320654302072E+03 0.46550E-04 -0.34798E-05 2941 0.181E-02 0.415E-02 RMM: 7 -0.320654305017E+03 -0.29451E-05 -0.23133E-05 2525 0.148E-02 6539 T= 5993. E= 0.67564941E+03 F= 0.63561468E+03 E0= 0.66419105E+03 EK= 0.48807E+02 SP= -.10E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320759565814E+03 -0.10526E+00 -0.10803E-01 7584 0.233E+01 0.222E-01 RMM: 2 -0.320776027772E+03 -0.16462E-01 -0.11778E-01 5065 0.787E-01 0.960E-01 RMM: 3 -0.320769445884E+03 0.65819E-02 -0.13235E-02 5815 0.219E-01 0.197E-01 RMM: 4 -0.320769073487E+03 0.37240E-03 -0.84492E-04 4691 0.653E-02 0.125E-01 RMM: 5 -0.320768985335E+03 0.88152E-04 -0.13362E-04 3880 0.283E-02 0.875E-02 RMM: 6 -0.320768940380E+03 0.44955E-04 -0.32345E-05 2898 0.175E-02 0.429E-02 RMM: 7 -0.320768942748E+03 -0.23681E-05 -0.21482E-05 2516 0.139E-02 6540 T= 6097. E= 0.67565298E+03 F= 0.63550005E+03 E0= 0.66409447E+03 EK= 0.49654E+02 SP= -.11E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321189146764E+03 -0.42021E+00 -0.10835E-01 7800 0.234E+01 0.238E-01 RMM: 2 -0.321206040847E+03 -0.16894E-01 -0.11401E-01 5080 0.791E-01 0.102E+00 RMM: 3 -0.321198578427E+03 0.74624E-02 -0.13290E-02 5665 0.230E-01 0.209E-01 RMM: 4 -0.321198196278E+03 0.38215E-03 -0.94525E-04 4735 0.655E-02 0.110E-01 RMM: 5 -0.321198140045E+03 0.56233E-04 -0.13752E-04 3918 0.285E-02 0.914E-02 RMM: 6 -0.321198090230E+03 0.49814E-04 -0.35076E-05 2947 0.181E-02 0.439E-02 RMM: 7 -0.321198092329E+03 -0.20991E-05 -0.22082E-05 2533 0.144E-02 6541 T= 6243. E= 0.67565325E+03 F= 0.63507090E+03 E0= 0.66369220E+03 EK= 0.50843E+02 SP= -.12E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321946337952E+03 -0.74825E+00 -0.11662E-01 8264 0.237E+01 0.233E-01 RMM: 2 -0.321964645249E+03 -0.18307E-01 -0.11545E-01 5047 0.794E-01 0.111E+00 RMM: 3 -0.321956101404E+03 0.85438E-02 -0.13527E-02 5707 0.230E-01 0.233E-01 RMM: 4 -0.321955596232E+03 0.50517E-03 -0.99920E-04 4714 0.696E-02 0.101E-01 RMM: 5 -0.321955555009E+03 0.41223E-04 -0.14796E-04 3910 0.296E-02 0.914E-02 RMM: 6 -0.321955507631E+03 0.47378E-04 -0.31153E-05 2842 0.172E-02 0.461E-02 RMM: 7 -0.321955508886E+03 -0.12555E-05 -0.18263E-05 2509 0.131E-02 6542 T= 6433. E= 0.67564777E+03 F= 0.63431348E+03 E0= 0.66296887E+03 EK= 0.52384E+02 SP= -.12E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322961036658E+03 -0.10055E+01 -0.12146E-01 8480 0.242E+01 0.211E-01 RMM: 2 -0.322977544919E+03 -0.16508E-01 -0.11969E-01 5041 0.789E-01 0.936E-01 RMM: 3 -0.322971230672E+03 0.63142E-02 -0.13078E-02 5737 0.228E-01 0.219E-01 RMM: 4 -0.322970801287E+03 0.42938E-03 -0.89063E-04 4833 0.635E-02 0.989E-02 RMM: 5 -0.322970748878E+03 0.52410E-04 -0.12908E-04 3882 0.295E-02 0.829E-02 RMM: 6 -0.322970711295E+03 0.37583E-04 -0.30294E-05 2771 0.166E-02 0.494E-02 RMM: 7 -0.322970711933E+03 -0.63778E-06 -0.23507E-05 2552 0.150E-02 6543 T= 6656. E= 0.67563687E+03 F= 0.63329828E+03 E0= 0.66199226E+03 EK= 0.54205E+02 SP= -.13E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324077633376E+03 -0.11069E+01 -0.13343E-01 8248 0.248E+01 0.210E-01 RMM: 2 -0.324097586850E+03 -0.19953E-01 -0.13866E-01 5007 0.846E-01 0.106E+00 RMM: 3 -0.324089551644E+03 0.80352E-02 -0.15120E-02 5850 0.234E-01 0.196E-01 RMM: 4 -0.324089113894E+03 0.43775E-03 -0.93018E-04 4779 0.677E-02 0.114E-01 RMM: 5 -0.324089045987E+03 0.67907E-04 -0.14162E-04 3884 0.309E-02 0.810E-02 RMM: 6 -0.324089012728E+03 0.33259E-04 -0.29984E-05 2700 0.166E-02 0.504E-02 RMM: 7 -0.324089016136E+03 -0.34074E-05 -0.20634E-05 2534 0.139E-02 6544 T= 6895. E= 0.67562341E+03 F= 0.63217997E+03 E0= 0.66091367E+03 EK= 0.56150E+02 SP= -.14E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325101035599E+03 -0.10120E+01 -0.15021E-01 7968 0.254E+01 0.216E-01 RMM: 2 -0.325121893223E+03 -0.20858E-01 -0.16083E-01 4972 0.916E-01 0.970E-01 RMM: 3 -0.325114945017E+03 0.69482E-02 -0.18124E-02 5892 0.253E-01 0.207E-01 RMM: 4 -0.325114435886E+03 0.50913E-03 -0.99462E-04 4900 0.684E-02 0.117E-01 RMM: 5 -0.325114351953E+03 0.83932E-04 -0.14852E-04 3906 0.322E-02 0.827E-02 RMM: 6 -0.325114320739E+03 0.31215E-04 -0.35031E-05 2871 0.175E-02 0.569E-02 RMM: 7 -0.325114322765E+03 -0.20263E-05 -0.31383E-05 2617 0.164E-02 6545 T= 7124. E= 0.67561159E+03 F= 0.63115467E+03 E0= 0.65992501E+03 EK= 0.58016E+02 SP= -.15E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325860676069E+03 -0.74636E+00 -0.15506E-01 8040 0.259E+01 0.234E-01 RMM: 2 -0.325882292667E+03 -0.21617E-01 -0.15384E-01 4996 0.893E-01 0.109E+00 RMM: 3 -0.325873650154E+03 0.86425E-02 -0.17024E-02 5921 0.249E-01 0.205E-01 RMM: 4 -0.325873179079E+03 0.47108E-03 -0.99038E-04 4732 0.705E-02 0.132E-01 RMM: 5 -0.325873085234E+03 0.93845E-04 -0.15327E-04 3900 0.324E-02 0.887E-02 RMM: 6 -0.325873047619E+03 0.37615E-04 -0.37646E-05 2954 0.184E-02 0.556E-02 RMM: 7 -0.325873058432E+03 -0.10813E-04 -0.29995E-05 2618 0.162E-02 6546 T= 7321. E= 0.67560567E+03 F= 0.63039593E+03 E0= 0.65919476E+03 EK= 0.59620E+02 SP= -.16E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326252223208E+03 -0.37918E+00 -0.15819E-01 8000 0.263E+01 0.255E-01 RMM: 2 -0.326276521223E+03 -0.24298E-01 -0.17000E-01 5025 0.944E-01 0.118E+00 RMM: 3 -0.326266598587E+03 0.99226E-02 -0.19361E-02 5836 0.271E-01 0.228E-01 RMM: 4 -0.326266076191E+03 0.52240E-03 -0.12194E-03 4868 0.749E-02 0.131E-01 RMM: 5 -0.326265984192E+03 0.91999E-04 -0.17774E-04 3959 0.329E-02 0.957E-02 RMM: 6 -0.326265935806E+03 0.48385E-04 -0.46417E-05 3122 0.198E-02 0.554E-02 RMM: 7 -0.326265950855E+03 -0.15049E-04 -0.34638E-05 2690 0.172E-02 6547 T= 7472. E= 0.67560591E+03 F= 0.63000304E+03 E0= 0.65881921E+03 EK= 0.60850E+02 SP= -.16E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326260758096E+03 0.51777E-02 -0.16661E-01 7872 0.264E+01 0.243E-01 RMM: 2 -0.326283867306E+03 -0.23109E-01 -0.16912E-01 5279 0.929E-01 0.110E+00 RMM: 3 -0.326275074733E+03 0.87926E-02 -0.17033E-02 5826 0.245E-01 0.215E-01 RMM: 4 -0.326274605298E+03 0.46944E-03 -0.10728E-03 4795 0.739E-02 0.143E-01 RMM: 5 -0.326274496254E+03 0.10904E-03 -0.16310E-04 3921 0.313E-02 0.958E-02 RMM: 6 -0.326274447630E+03 0.48625E-04 -0.44495E-05 3124 0.198E-02 0.523E-02 RMM: 7 -0.326274463328E+03 -0.15698E-04 -0.32541E-05 2659 0.165E-02 6548 T= 7573. E= 0.67561040E+03 F= 0.62999453E+03 E0= 0.65881322E+03 EK= 0.61671E+02 SP= -.17E+02 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325925977242E+03 0.34847E+00 -0.15992E-01 7912 0.265E+01 0.232E-01 RMM: 2 -0.325945586562E+03 -0.19609E-01 -0.14524E-01 5157 0.881E-01 0.103E+00 RMM: 3 -0.325938079702E+03 0.75069E-02 -0.14763E-02 5761 0.245E-01 0.202E-01 RMM: 4 -0.325937764891E+03 0.31481E-03 -0.10011E-03 4775 0.699E-02 0.144E-01 RMM: 5 -0.325937647759E+03 0.11713E-03 -0.16006E-04 3896 0.313E-02 0.959E-02 RMM: 6 -0.325937596898E+03 0.50861E-04 -0.45486E-05 3128 0.200E-02 0.487E-02 RMM: 7 -0.325937604833E+03 -0.79355E-05 -0.31360E-05 2618 0.166E-02 6549 T= 7627. E= 0.67561648E+03 F= 0.63033138E+03 E0= 0.65913874E+03 EK= 0.62108E+02 SP= -.18E+02 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325306685222E+03 0.63091E+00 -0.16251E-01 7648 0.265E+01 0.216E-01 RMM: 2 -0.325326637892E+03 -0.19953E-01 -0.15241E-01 5076 0.904E-01 0.977E-01 RMM: 3 -0.325319535700E+03 0.71022E-02 -0.15722E-02 5885 0.238E-01 0.194E-01 RMM: 4 -0.325319129509E+03 0.40619E-03 -0.90032E-04 4786 0.695E-02 0.128E-01 RMM: 5 -0.325319039591E+03 0.89918E-04 -0.14132E-04 3865 0.302E-02 0.889E-02 RMM: 6 -0.325318997126E+03 0.42465E-04 -0.38111E-05 2995 0.187E-02 0.481E-02 RMM: 7 -0.325319004778E+03 -0.76516E-05 -0.28391E-05 2566 0.160E-02 6550 T= 7640. E= 0.67562200E+03 F= 0.63094998E+03 E0= 0.65973412E+03 EK= 0.62216E+02 SP= -.18E+02 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324466607434E+03 0.85239E+00 -0.15254E-01 7560 0.264E+01 0.201E-01 RMM: 2 -0.324482600491E+03 -0.15993E-01 -0.13249E-01 5026 0.854E-01 0.819E-01 RMM: 3 -0.324477842250E+03 0.47582E-02 -0.13911E-02 5919 0.226E-01 0.146E-01 RMM: 4 -0.324477645501E+03 0.19675E-03 -0.75040E-04 4724 0.629E-02 0.153E-01 RMM: 5 -0.324477499907E+03 0.14559E-03 -0.12721E-04 3767 0.297E-02 0.794E-02 RMM: 6 -0.324477467042E+03 0.32864E-04 -0.35589E-05 2929 0.180E-02 0.439E-02 RMM: 7 -0.324477463138E+03 0.39047E-05 -0.34632E-05 2576 0.177E-02 6551 T= 7619. E= 0.67562598E+03 F= 0.63179153E+03 E0= 0.66054533E+03 EK= 0.62048E+02 SP= -.19E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323443079262E+03 0.10344E+01 -0.14904E-01 7704 0.263E+01 0.206E-01 RMM: 2 -0.323459524026E+03 -0.16445E-01 -0.13225E-01 5168 0.850E-01 0.859E-01 RMM: 3 -0.323454221165E+03 0.53029E-02 -0.12916E-02 5969 0.212E-01 0.189E-01 RMM: 4 -0.323453855560E+03 0.36560E-03 -0.74456E-04 4676 0.650E-02 0.130E-01 RMM: 5 -0.323453751756E+03 0.10380E-03 -0.12345E-04 3799 0.284E-02 0.837E-02 RMM: 6 -0.323453716543E+03 0.35213E-04 -0.31510E-05 2854 0.176E-02 0.472E-02 RMM: 7 -0.323453718210E+03 -0.16672E-05 -0.31593E-05 2578 0.163E-02 6552 T= 7570. E= 0.67562908E+03 F= 0.63281527E+03 E0= 0.66153623E+03 EK= 0.61644E+02 SP= -.19E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322267250660E+03 0.11865E+01 -0.14403E-01 7960 0.261E+01 0.207E-01 RMM: 2 -0.322283503351E+03 -0.16253E-01 -0.13462E-01 5176 0.848E-01 0.830E-01 RMM: 3 -0.322278377803E+03 0.51255E-02 -0.12963E-02 5997 0.220E-01 0.159E-01 RMM: 4 -0.322278134320E+03 0.24348E-03 -0.73294E-04 4752 0.608E-02 0.146E-01 RMM: 5 -0.322277998783E+03 0.13554E-03 -0.11328E-04 3747 0.283E-02 0.755E-02 RMM: 6 -0.322277975610E+03 0.23173E-04 -0.28919E-05 2717 0.165E-02 0.518E-02 RMM: 7 -0.322277967503E+03 0.81063E-05 -0.38232E-05 2672 0.171E-02 6553 T= 7495. E= 0.67563178E+03 F= 0.63399102E+03 E0= 0.66268137E+03 EK= 0.61035E+02 SP= -.20E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320967426719E+03 0.13105E+01 -0.13902E-01 8040 0.259E+01 0.196E-01 RMM: 2 -0.320983694146E+03 -0.16267E-01 -0.13378E-01 5339 0.820E-01 0.819E-01 RMM: 3 -0.320978389103E+03 0.53050E-02 -0.11583E-02 6054 0.204E-01 0.169E-01 RMM: 4 -0.320978141960E+03 0.24714E-03 -0.69827E-04 4652 0.620E-02 0.142E-01 RMM: 5 -0.320978007280E+03 0.13468E-03 -0.11240E-04 3704 0.272E-02 0.782E-02 RMM: 6 -0.320977981962E+03 0.25318E-04 -0.26883E-05 2731 0.164E-02 0.531E-02 RMM: 7 -0.320977979596E+03 0.23654E-05 -0.31935E-05 2639 0.157E-02 6554 T= 7399. E= 0.67563548E+03 F= 0.63529101E+03 E0= 0.66395624E+03 EK= 0.60253E+02 SP= -.20E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319578605501E+03 0.13994E+01 -0.14201E-01 8256 0.256E+01 0.186E-01 RMM: 2 -0.319594879427E+03 -0.16274E-01 -0.13577E-01 5310 0.813E-01 0.783E-01 RMM: 3 -0.319589639298E+03 0.52401E-02 -0.11458E-02 6058 0.213E-01 0.169E-01 RMM: 4 -0.319589425488E+03 0.21381E-03 -0.67220E-04 4683 0.593E-02 0.129E-01 RMM: 5 -0.319589310563E+03 0.11492E-03 -0.97357E-05 3595 0.259E-02 0.677E-02 RMM: 6 -0.319589298159E+03 0.12405E-04 -0.23865E-05 2575 0.150E-02 6555 T= 7286. E= 0.67563964E+03 F= 0.63667969E+03 E0= 0.66532686E+03 EK= 0.59336E+02 SP= -.21E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318142669452E+03 0.14466E+01 -0.14864E-01 8336 0.252E+01 0.200E-01 RMM: 2 -0.318162985280E+03 -0.20316E-01 -0.14251E-01 5360 0.821E-01 0.104E+00 RMM: 3 -0.318154151016E+03 0.88343E-02 -0.12523E-02 5517 0.244E-01 0.167E-01 RMM: 4 -0.318153989458E+03 0.16156E-03 -0.94513E-04 5002 0.614E-02 0.114E-01 RMM: 5 -0.318153905851E+03 0.83607E-04 -0.90737E-05 3792 0.256E-02 0.737E-02 RMM: 6 -0.318153894327E+03 0.11524E-04 -0.23851E-05 2561 0.146E-02 6556 T= 7163. E= 0.67564490E+03 F= 0.63811509E+03 E0= 0.66675151E+03 EK= 0.58333E+02 SP= -.21E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316712617354E+03 0.14413E+01 -0.15135E-01 8304 0.249E+01 0.373E-01 RMM: 2 -0.316755258163E+03 -0.42641E-01 -0.14745E-01 5092 0.887E-01 0.212E+00 RMM: 3 -0.316723856191E+03 0.31402E-01 -0.20405E-02 5386 0.342E-01 0.363E-01 RMM: 4 -0.316722891867E+03 0.96432E-03 -0.22128E-03 5187 0.977E-02 0.988E-02 RMM: 5 -0.316722879929E+03 0.11938E-04 -0.23051E-04 4164 0.316E-02 0.107E-01 RMM: 6 -0.316722814299E+03 0.65630E-04 -0.33939E-05 2829 0.172E-02 0.581E-02 RMM: 7 -0.316722831274E+03 -0.16975E-04 -0.34547E-05 2897 0.171E-02 6557 T= 7036. E= 0.67564998E+03 F= 0.63954616E+03 E0= 0.66817779E+03 EK= 0.57299E+02 SP= -.21E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315342318374E+03 0.13805E+01 -0.14973E-01 8464 0.246E+01 0.323E-01 RMM: 2 -0.315373781924E+03 -0.31464E-01 -0.14940E-01 5187 0.852E-01 0.164E+00 RMM: 3 -0.315354134370E+03 0.19648E-01 -0.17750E-02 5374 0.319E-01 0.344E-01 RMM: 4 -0.315353404290E+03 0.73008E-03 -0.20517E-03 5242 0.955E-02 0.136E-01 RMM: 5 -0.315353435848E+03 -0.31558E-04 -0.28400E-04 3892 0.396E-02 0.160E-01 RMM: 6 -0.315353269141E+03 0.16671E-03 -0.94926E-05 3648 0.284E-02 0.419E-02 RMM: 7 -0.315353269448E+03 -0.30678E-06 -0.20114E-05 2561 0.130E-02 6558 T= 6913. E= 0.67565555E+03 F= 0.64091572E+03 E0= 0.66954769E+03 EK= 0.56297E+02 SP= -.22E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314094461738E+03 0.12588E+01 -0.15442E-01 8560 0.243E+01 0.256E-01 RMM: 2 -0.314121722606E+03 -0.27261E-01 -0.15974E-01 5205 0.887E-01 0.138E+00 RMM: 3 -0.314107654157E+03 0.14068E-01 -0.14820E-02 5510 0.272E-01 0.255E-01 RMM: 4 -0.314107155447E+03 0.49871E-03 -0.13082E-03 4837 0.777E-02 0.107E-01 RMM: 5 -0.314107105205E+03 0.50242E-04 -0.17176E-04 3982 0.328E-02 0.870E-02 RMM: 6 -0.314107058907E+03 0.46299E-04 -0.36815E-05 2923 0.182E-02 0.465E-02 RMM: 7 -0.314107066753E+03 -0.78463E-05 -0.26778E-05 2578 0.158E-02 6559 T= 6803. E= 0.67566093E+03 F= 0.64216192E+03 E0= 0.67079740E+03 EK= 0.55397E+02 SP= -.22E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313032235435E+03 0.10748E+01 -0.15334E-01 8608 0.241E+01 0.230E-01 RMM: 2 -0.313054292582E+03 -0.22057E-01 -0.15972E-01 5200 0.891E-01 0.107E+00 RMM: 3 -0.313045376463E+03 0.89161E-02 -0.14481E-02 5757 0.257E-01 0.208E-01 RMM: 4 -0.313045001781E+03 0.37468E-03 -0.10050E-03 4885 0.678E-02 0.107E-01 RMM: 5 -0.313044959260E+03 0.42521E-04 -0.14804E-04 3882 0.334E-02 0.844E-02 RMM: 6 -0.313044913393E+03 0.45867E-04 -0.40134E-05 3032 0.187E-02 0.414E-02 RMM: 7 -0.313044917121E+03 -0.37283E-05 -0.23785E-05 2544 0.154E-02 6560 T= 6712. E= 0.67566510E+03 F= 0.64322407E+03 E0= 0.67186518E+03 EK= 0.54662E+02 SP= -.22E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312207302167E+03 0.83761E+00 -0.15629E-01 8456 0.240E+01 0.202E-01 RMM: 2 -0.312230220676E+03 -0.22919E-01 -0.17676E-01 5126 0.934E-01 0.100E+00 RMM: 3 -0.312222310545E+03 0.79101E-02 -0.16006E-02 5869 0.253E-01 0.192E-01 RMM: 4 -0.312221924837E+03 0.38571E-03 -0.94513E-04 4767 0.705E-02 0.119E-01 RMM: 5 -0.312221838622E+03 0.86215E-04 -0.14362E-04 3894 0.318E-02 0.754E-02 RMM: 6 -0.312221808156E+03 0.30466E-04 -0.31927E-05 2815 0.169E-02 0.456E-02 RMM: 7 -0.312221810070E+03 -0.19145E-05 -0.23310E-05 2545 0.147E-02 6561 T= 6650. E= 0.67566778E+03 F= 0.64404718E+03 E0= 0.67269514E+03 EK= 0.54152E+02 SP= -.23E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311670269316E+03 0.55154E+00 -0.14033E-01 8776 0.240E+01 0.221E-01 RMM: 2 -0.311690025916E+03 -0.19757E-01 -0.14252E-01 5251 0.842E-01 0.104E+00 RMM: 3 -0.311681770514E+03 0.82554E-02 -0.12467E-02 5869 0.231E-01 0.190E-01 RMM: 4 -0.311681449785E+03 0.32073E-03 -0.83319E-04 4836 0.620E-02 0.110E-01 RMM: 5 -0.311681386781E+03 0.63005E-04 -0.12098E-04 3803 0.294E-02 0.785E-02 RMM: 6 -0.311681354314E+03 0.32466E-04 -0.34345E-05 2904 0.175E-02 0.493E-02 RMM: 7 -0.311681361388E+03 -0.70737E-05 -0.32428E-05 2650 0.167E-02 6562 T= 6621. E= 0.67567023E+03 F= 0.64458763E+03 E0= 0.67324440E+03 EK= 0.53917E+02 SP= -.23E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311445640411E+03 0.23571E+00 -0.13667E-01 8432 0.241E+01 0.216E-01 RMM: 2 -0.311465004061E+03 -0.19364E-01 -0.13979E-01 5275 0.838E-01 0.102E+00 RMM: 3 -0.311457077601E+03 0.79265E-02 -0.12544E-02 5920 0.222E-01 0.207E-01 RMM: 4 -0.311456692943E+03 0.38466E-03 -0.88762E-04 4725 0.670E-02 0.121E-01 RMM: 5 -0.311456604462E+03 0.88481E-04 -0.13692E-04 3852 0.296E-02 0.780E-02 RMM: 6 -0.311456572169E+03 0.32293E-04 -0.31219E-05 2895 0.172E-02 0.459E-02 RMM: 7 -0.311456573588E+03 -0.14191E-05 -0.21809E-05 2542 0.136E-02 6563 T= 6630. E= 0.67567161E+03 F= 0.64481242E+03 E0= 0.67348052E+03 EK= 0.53992E+02 SP= -.23E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311552320628E+03 -0.95748E-01 -0.13282E-01 8152 0.242E+01 0.221E-01 RMM: 2 -0.311572231884E+03 -0.19911E-01 -0.14040E-01 5199 0.851E-01 0.107E+00 RMM: 3 -0.311563933924E+03 0.82980E-02 -0.13609E-02 5844 0.232E-01 0.213E-01 RMM: 4 -0.311563510062E+03 0.42386E-03 -0.89626E-04 4816 0.653E-02 0.106E-01 RMM: 5 -0.311563451426E+03 0.58637E-04 -0.12986E-04 3836 0.286E-02 0.853E-02 RMM: 6 -0.311563413261E+03 0.38165E-04 -0.34727E-05 2929 0.178E-02 0.515E-02 RMM: 7 -0.311563417610E+03 -0.43495E-05 -0.31968E-05 2642 0.163E-02 6564 T= 6679. E= 0.67567165E+03 F= 0.64470557E+03 E0= 0.67338876E+03 EK= 0.54393E+02 SP= -.24E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311990897432E+03 -0.42748E+00 -0.13321E-01 7840 0.244E+01 0.212E-01 RMM: 2 -0.312007646415E+03 -0.16749E-01 -0.12493E-01 5292 0.804E-01 0.948E-01 RMM: 3 -0.312001223734E+03 0.64227E-02 -0.11823E-02 5893 0.213E-01 0.205E-01 RMM: 4 -0.312000851365E+03 0.37237E-03 -0.82681E-04 4734 0.639E-02 0.118E-01 RMM: 5 -0.312000771612E+03 0.79753E-04 -0.13119E-04 3836 0.285E-02 0.828E-02 RMM: 6 -0.312000734979E+03 0.36633E-04 -0.31412E-05 2913 0.173E-02 0.456E-02 RMM: 7 -0.312000737384E+03 -0.24046E-05 -0.21312E-05 2551 0.134E-02 6565 T= 6768. E= 0.67566994E+03 F= 0.64426825E+03 E0= 0.67296955E+03 EK= 0.55118E+02 SP= -.24E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312733935052E+03 -0.73320E+00 -0.13536E-01 7832 0.246E+01 0.211E-01 RMM: 2 -0.312751191518E+03 -0.17256E-01 -0.13004E-01 5185 0.823E-01 0.942E-01 RMM: 3 -0.312744776897E+03 0.64146E-02 -0.12905E-02 5886 0.219E-01 0.200E-01 RMM: 4 -0.312744385710E+03 0.39119E-03 -0.81551E-04 4752 0.636E-02 0.113E-01 RMM: 5 -0.312744322752E+03 0.62958E-04 -0.13036E-04 3805 0.286E-02 0.891E-02 RMM: 6 -0.312744277885E+03 0.44867E-04 -0.35380E-05 2963 0.182E-02 0.463E-02 RMM: 7 -0.312744279730E+03 -0.18451E-05 -0.27073E-05 2598 0.152E-02 6566 T= 6894. E= 0.67566627E+03 F= 0.64352471E+03 E0= 0.67224853E+03 EK= 0.56142E+02 SP= -.24E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313732622311E+03 -0.98834E+00 -0.13406E-01 7680 0.249E+01 0.199E-01 RMM: 2 -0.313748176879E+03 -0.15555E-01 -0.12131E-01 5148 0.810E-01 0.875E-01 RMM: 3 -0.313742867895E+03 0.53090E-02 -0.12611E-02 5884 0.214E-01 0.183E-01 RMM: 4 -0.313742520476E+03 0.34742E-03 -0.74693E-04 4758 0.613E-02 0.114E-01 RMM: 5 -0.313742446650E+03 0.73826E-04 -0.12537E-04 3830 0.287E-02 0.815E-02 RMM: 6 -0.313742411260E+03 0.35390E-04 -0.31415E-05 2887 0.171E-02 0.453E-02 RMM: 7 -0.313742412693E+03 -0.14334E-05 -0.22348E-05 2549 0.140E-02 6567 T= 7050. E= 0.67566119E+03 F= 0.64252658E+03 E0= 0.67127614E+03 EK= 0.57408E+02 SP= -.24E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314911663475E+03 -0.11693E+01 -0.13996E-01 7688 0.252E+01 0.209E-01 RMM: 2 -0.314928793866E+03 -0.17130E-01 -0.13157E-01 5050 0.846E-01 0.918E-01 RMM: 3 -0.314922945962E+03 0.58479E-02 -0.14278E-02 5825 0.227E-01 0.196E-01 RMM: 4 -0.314922550550E+03 0.39541E-03 -0.82772E-04 4770 0.643E-02 0.114E-01 RMM: 5 -0.314922486862E+03 0.63688E-04 -0.13830E-04 3824 0.301E-02 0.893E-02 RMM: 6 -0.314922439598E+03 0.47264E-04 -0.38570E-05 3018 0.188E-02 0.432E-02 RMM: 7 -0.314922439214E+03 0.38423E-06 -0.26969E-05 2569 0.158E-02 6568 T= 7225. E= 0.67565496E+03 F= 0.64134655E+03 E0= 0.67012432E+03 EK= 0.58839E+02 SP= -.25E+02 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316187271989E+03 -0.12648E+01 -0.14497E-01 7784 0.255E+01 0.188E-01 RMM: 2 -0.316203634939E+03 -0.16363E-01 -0.13874E-01 5044 0.871E-01 0.784E-01 RMM: 3 -0.316199319888E+03 0.43151E-02 -0.14942E-02 5979 0.221E-01 0.175E-01 RMM: 4 -0.316198934025E+03 0.38586E-03 -0.75704E-04 4735 0.655E-02 0.121E-01 RMM: 5 -0.316198841340E+03 0.92686E-04 -0.13181E-04 3849 0.305E-02 0.745E-02 RMM: 6 -0.316198814999E+03 0.26340E-04 -0.30552E-05 2819 0.167E-02 0.474E-02 RMM: 7 -0.316198813909E+03 0.10903E-05 -0.23294E-05 2544 0.145E-02 6569 T= 7410. E= 0.67564842E+03 F= 0.64007018E+03 E0= 0.66887585E+03 EK= 0.60341E+02 SP= -.25E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317473110026E+03 -0.12743E+01 -0.14911E-01 7920 0.258E+01 0.198E-01 RMM: 2 -0.317491307479E+03 -0.18197E-01 -0.15073E-01 4987 0.903E-01 0.847E-01 RMM: 3 -0.317486214360E+03 0.50931E-02 -0.16375E-02 5969 0.237E-01 0.176E-01 RMM: 4 -0.317485837755E+03 0.37661E-03 -0.78868E-04 4804 0.641E-02 0.127E-01 RMM: 5 -0.317485734698E+03 0.10306E-03 -0.13202E-04 3834 0.309E-02 0.792E-02 RMM: 6 -0.317485703397E+03 0.31302E-04 -0.33492E-05 2832 0.175E-02 0.491E-02 RMM: 7 -0.317485697907E+03 0.54900E-05 -0.31092E-05 2603 0.168E-02 6570 T= 7591. E= 0.67564289E+03 F= 0.63878329E+03 E0= 0.66761413E+03 EK= 0.61820E+02 SP= -.25E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318697881387E+03 -0.12122E+01 -0.15225E-01 8104 0.260E+01 0.188E-01 RMM: 2 -0.318715357980E+03 -0.17477E-01 -0.15113E-01 5058 0.885E-01 0.766E-01 RMM: 3 -0.318711030120E+03 0.43279E-02 -0.15966E-02 6107 0.227E-01 0.169E-01 RMM: 4 -0.318710647612E+03 0.38251E-03 -0.76066E-04 4703 0.658E-02 0.127E-01 RMM: 5 -0.318710540023E+03 0.10759E-03 -0.13211E-04 3825 0.309E-02 0.761E-02 RMM: 6 -0.318710515199E+03 0.24824E-04 -0.29127E-05 2705 0.162E-02 0.519E-02 RMM: 7 -0.318710511888E+03 0.33110E-05 -0.25962E-05 2577 0.154E-02 6571 T= 7760. E= 0.67563806E+03 F= 0.63755848E+03 E0= 0.66640837E+03 EK= 0.63192E+02 SP= -.25E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319803349914E+03 -0.10928E+01 -0.16888E-01 8128 0.263E+01 0.190E-01 RMM: 2 -0.319822572325E+03 -0.19222E-01 -0.16517E-01 5084 0.911E-01 0.800E-01 RMM: 3 -0.319817520089E+03 0.50522E-02 -0.16515E-02 6077 0.233E-01 0.162E-01 RMM: 4 -0.319817174507E+03 0.34558E-03 -0.77809E-04 4743 0.650E-02 0.135E-01 RMM: 5 -0.319817054402E+03 0.12011E-03 -0.12886E-04 3835 0.306E-02 0.741E-02 RMM: 6 -0.319817030169E+03 0.24233E-04 -0.30548E-05 2769 0.167E-02 0.532E-02 RMM: 7 -0.319817025120E+03 0.50493E-05 -0.29976E-05 2606 0.162E-02 6572 T= 7907. E= 0.67563409E+03 F= 0.63645196E+03 E0= 0.66531230E+03 EK= 0.64393E+02 SP= -.25E+02 SK= 0.60E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320752569128E+03 -0.93554E+00 -0.17377E-01 8168 0.265E+01 0.187E-01 RMM: 2 -0.320771819021E+03 -0.19250E-01 -0.16535E-01 5095 0.909E-01 0.796E-01 RMM: 3 -0.320766763574E+03 0.50554E-02 -0.16409E-02 6095 0.234E-01 0.163E-01 RMM: 4 -0.320766404243E+03 0.35933E-03 -0.77375E-04 4740 0.652E-02 0.130E-01 RMM: 5 -0.320766289663E+03 0.11458E-03 -0.12866E-04 3826 0.311E-02 0.725E-02 RMM: 6 -0.320766268266E+03 0.21398E-04 -0.31297E-05 2804 0.167E-02 0.534E-02 RMM: 7 -0.320766265361E+03 0.29042E-05 -0.26771E-05 2584 0.153E-02 6573 T= 8028. E= 0.67563139E+03 F= 0.63550272E+03 E0= 0.66436165E+03 EK= 0.65373E+02 SP= -.25E+02 SK= 0.56E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.321525714788E+03 -0.75945E+00 -0.17419E-01 8432 0.267E+01 0.188E-01 RMM: 2 -0.321544149991E+03 -0.18435E-01 -0.15474E-01 5184 0.868E-01 0.819E-01 RMM: 3 -0.321538613370E+03 0.55366E-02 -0.13937E-02 6045 0.227E-01 0.166E-01 RMM: 4 -0.321538330380E+03 0.28299E-03 -0.73550E-04 4729 0.613E-02 0.124E-01 RMM: 5 -0.321538226582E+03 0.10380E-03 -0.11700E-04 3745 0.288E-02 0.786E-02 RMM: 6 -0.321538196869E+03 0.29713E-04 -0.33265E-05 2866 0.175E-02 0.500E-02 RMM: 7 -0.321538194561E+03 0.23075E-05 -0.30908E-05 2638 0.159E-02 6574 T= 8117. E= 0.67562929E+03 F= 0.63473079E+03 E0= 0.66357509E+03 EK= 0.66104E+02 SP= -.25E+02 SK= 0.77E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322113909911E+03 -0.57571E+00 -0.17985E-01 8336 0.268E+01 0.191E-01 RMM: 2 -0.322134006317E+03 -0.20096E-01 -0.16838E-01 5110 0.908E-01 0.842E-01 RMM: 3 -0.322128122273E+03 0.58840E-02 -0.15861E-02 6117 0.237E-01 0.172E-01 RMM: 4 -0.322127744383E+03 0.37789E-03 -0.77718E-04 4740 0.648E-02 0.117E-01 RMM: 5 -0.322127657607E+03 0.86775E-04 -0.12350E-04 3771 0.299E-02 0.763E-02 RMM: 6 -0.322127629887E+03 0.27721E-04 -0.32669E-05 2834 0.173E-02 0.489E-02 RMM: 7 -0.322127632615E+03 -0.27280E-05 -0.27362E-05 2576 0.155E-02 6575 T= 8175. E= 0.67562766E+03 F= 0.63414136E+03 E0= 0.66295664E+03 EK= 0.66575E+02 SP= -.25E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322524716731E+03 -0.39709E+00 -0.18289E-01 8296 0.269E+01 0.185E-01 RMM: 2 -0.322545217445E+03 -0.20501E-01 -0.18240E-01 5012 0.949E-01 0.753E-01 RMM: 3 -0.322540247422E+03 0.49700E-02 -0.17960E-02 6161 0.250E-01 0.158E-01 RMM: 4 -0.322539863595E+03 0.38383E-03 -0.78543E-04 4838 0.642E-02 0.119E-01 RMM: 5 -0.322539776753E+03 0.86843E-04 -0.12150E-04 3794 0.290E-02 0.840E-02 RMM: 6 -0.322539741398E+03 0.35354E-04 -0.33896E-05 2834 0.177E-02 0.475E-02 RMM: 7 -0.322539741767E+03 -0.36894E-06 -0.29602E-05 2611 0.161E-02 6576 T= 8202. E= 0.67562650E+03 F= 0.63372925E+03 E0= 0.66250165E+03 EK= 0.66789E+02 SP= -.25E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322771333715E+03 -0.23159E+00 -0.19245E-01 8168 0.270E+01 0.193E-01 RMM: 2 -0.322794261768E+03 -0.22928E-01 -0.19221E-01 5037 0.977E-01 0.878E-01 RMM: 3 -0.322787791164E+03 0.64706E-02 -0.18936E-02 6167 0.258E-01 0.187E-01 RMM: 4 -0.322787310820E+03 0.48034E-03 -0.87776E-04 4795 0.688E-02 0.107E-01 RMM: 5 -0.322787247855E+03 0.62965E-04 -0.13061E-04 3814 0.298E-02 0.799E-02 RMM: 6 -0.322787215229E+03 0.32626E-04 -0.32602E-05 2827 0.173E-02 0.490E-02 RMM: 7 -0.322787220241E+03 -0.50124E-05 -0.27600E-05 2572 0.159E-02 6577 T= 8198. E= 0.67562652E+03 F= 0.63348177E+03 E0= 0.66219989E+03 EK= 0.66756E+02 SP= -.25E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322877661972E+03 -0.90447E-01 -0.19112E-01 8232 0.270E+01 0.200E-01 RMM: 2 -0.322900174471E+03 -0.22512E-01 -0.19554E-01 5032 0.995E-01 0.839E-01 RMM: 3 -0.322894188283E+03 0.59862E-02 -0.19322E-02 6105 0.264E-01 0.157E-01 RMM: 4 -0.322893814888E+03 0.37340E-03 -0.90564E-04 4981 0.670E-02 0.122E-01 RMM: 5 -0.322893727866E+03 0.87022E-04 -0.13015E-04 3904 0.292E-02 0.838E-02 RMM: 6 -0.322893692383E+03 0.35483E-04 -0.34331E-05 2815 0.179E-02 0.474E-02 RMM: 7 -0.322893694938E+03 -0.25547E-05 -0.25796E-05 2565 0.154E-02 6578 T= 8166. E= 0.67562724E+03 F= 0.63337529E+03 E0= 0.66203139E+03 EK= 0.66502E+02 SP= -.24E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322878114504E+03 0.15578E-01 -0.17630E-01 8008 0.270E+01 0.214E-01 RMM: 2 -0.322901672024E+03 -0.23558E-01 -0.18315E-01 5051 0.963E-01 0.101E+00 RMM: 3 -0.322893622274E+03 0.80498E-02 -0.18259E-02 5966 0.264E-01 0.210E-01 RMM: 4 -0.322893149248E+03 0.47303E-03 -0.98685E-04 4852 0.704E-02 0.113E-01 RMM: 5 -0.322893083604E+03 0.65644E-04 -0.14353E-04 3853 0.307E-02 0.858E-02 RMM: 6 -0.322893042534E+03 0.41070E-04 -0.35270E-05 2925 0.177E-02 0.510E-02 RMM: 7 -0.322893046686E+03 -0.41518E-05 -0.26640E-05 2570 0.158E-02 6579 T= 8113. E= 0.67562905E+03 F= 0.63337594E+03 E0= 0.66196859E+03 EK= 0.66064E+02 SP= -.24E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322817480381E+03 0.75562E-01 -0.16946E-01 8040 0.269E+01 0.223E-01 RMM: 2 -0.322839300059E+03 -0.21820E-01 -0.17313E-01 5069 0.942E-01 0.980E-01 RMM: 3 -0.322831819680E+03 0.74804E-02 -0.17320E-02 5932 0.265E-01 0.176E-01 RMM: 4 -0.322831495811E+03 0.32387E-03 -0.97402E-04 4999 0.668E-02 0.119E-01 RMM: 5 -0.322831419147E+03 0.76663E-04 -0.13213E-04 3916 0.286E-02 0.929E-02 RMM: 6 -0.322831373819E+03 0.45328E-04 -0.35913E-05 2904 0.182E-02 0.492E-02 RMM: 7 -0.322831376359E+03 -0.25398E-05 -0.25921E-05 2572 0.156E-02 6580 T= 8042. E= 0.67563208E+03 F= 0.63343761E+03 E0= 0.66197095E+03 EK= 0.65493E+02 SP= -.24E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322751562097E+03 0.79812E-01 -0.17245E-01 7848 0.268E+01 0.224E-01 RMM: 2 -0.322775228647E+03 -0.23667E-01 -0.18383E-01 4977 0.984E-01 0.102E+00 RMM: 3 -0.322767295113E+03 0.79335E-02 -0.19558E-02 5881 0.274E-01 0.200E-01 RMM: 4 -0.322766851172E+03 0.44394E-03 -0.10705E-03 4920 0.720E-02 0.122E-01 RMM: 5 -0.322766776615E+03 0.74557E-04 -0.15365E-04 3918 0.320E-02 0.894E-02 RMM: 6 -0.322766729771E+03 0.46844E-04 -0.38338E-05 2981 0.183E-02 0.508E-02 RMM: 7 -0.322766733099E+03 -0.33284E-05 -0.25797E-05 2573 0.155E-02 6581 T= 7964. E= 0.67563618E+03 F= 0.63350226E+03 E0= 0.66198606E+03 EK= 0.64852E+02 SP= -.23E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322754397570E+03 0.12332E-01 -0.15999E-01 7944 0.266E+01 0.227E-01 RMM: 2 -0.322775955609E+03 -0.21558E-01 -0.16280E-01 4991 0.935E-01 0.103E+00 RMM: 3 -0.322768064840E+03 0.78908E-02 -0.17259E-02 5823 0.265E-01 0.183E-01 RMM: 4 -0.322767712055E+03 0.35278E-03 -0.10072E-03 4955 0.683E-02 0.114E-01 RMM: 5 -0.322767644358E+03 0.67697E-04 -0.13771E-04 3898 0.307E-02 0.880E-02 RMM: 6 -0.322767602176E+03 0.42182E-04 -0.36351E-05 2923 0.181E-02 0.502E-02 RMM: 7 -0.322767607906E+03 -0.57301E-05 -0.26943E-05 2573 0.159E-02 6582 T= 7885. E= 0.67564076E+03 F= 0.63350138E+03 E0= 0.66194870E+03 EK= 0.64215E+02 SP= -.23E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322897616608E+03 -0.13001E+00 -0.15448E-01 7840 0.264E+01 0.222E-01 RMM: 2 -0.322917250741E+03 -0.19634E-01 -0.14348E-01 5043 0.875E-01 0.102E+00 RMM: 3 -0.322909614991E+03 0.76357E-02 -0.14650E-02 5737 0.248E-01 0.203E-01 RMM: 4 -0.322909284007E+03 0.33098E-03 -0.96451E-04 4759 0.681E-02 0.119E-01 RMM: 5 -0.322909210872E+03 0.73136E-04 -0.14064E-04 3842 0.307E-02 0.885E-02 RMM: 6 -0.322909164803E+03 0.46069E-04 -0.36406E-05 2955 0.181E-02 0.463E-02 RMM: 7 -0.322909169606E+03 -0.48036E-05 -0.22758E-05 2541 0.146E-02 6583 T= 7817. E= 0.67564514E+03 F= 0.63335982E+03 E0= 0.66178577E+03 EK= 0.63660E+02 SP= -.22E+02 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323249379149E+03 -0.34021E+00 -0.14910E-01 7888 0.262E+01 0.224E-01 RMM: 2 -0.323268104056E+03 -0.18725E-01 -0.13182E-01 5083 0.840E-01 0.104E+00 RMM: 3 -0.323260349744E+03 0.77543E-02 -0.13461E-02 5661 0.241E-01 0.205E-01 RMM: 4 -0.323260011315E+03 0.33843E-03 -0.90268E-04 4813 0.644E-02 0.104E-01 RMM: 5 -0.323259967034E+03 0.44281E-04 -0.13381E-04 3852 0.307E-02 0.924E-02 RMM: 6 -0.323259916752E+03 0.50282E-04 -0.40495E-05 3040 0.190E-02 0.471E-02 RMM: 7 -0.323259924036E+03 -0.72835E-05 -0.28563E-05 2584 0.162E-02 6584 T= 7768. E= 0.67564789E+03 F= 0.63300907E+03 E0= 0.66142715E+03 EK= 0.63257E+02 SP= -.21E+02 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323851861608E+03 -0.59194E+00 -0.14716E-01 7752 0.261E+01 0.216E-01 RMM: 2 -0.323870939079E+03 -0.19077E-01 -0.14018E-01 5011 0.868E-01 0.993E-01 RMM: 3 -0.323863880082E+03 0.70590E-02 -0.14760E-02 5741 0.242E-01 0.186E-01 RMM: 4 -0.323863558889E+03 0.32119E-03 -0.88923E-04 4742 0.664E-02 0.117E-01 RMM: 5 -0.323863486946E+03 0.71943E-04 -0.13442E-04 3871 0.310E-02 0.820E-02 RMM: 6 -0.323863448765E+03 0.38181E-04 -0.35444E-05 2928 0.179E-02 0.447E-02 RMM: 7 -0.323863455277E+03 -0.65120E-05 -0.23413E-05 2541 0.148E-02 6585 T= 7742. E= 0.67564840E+03 F= 0.63240553E+03 E0= 0.66082744E+03 EK= 0.63050E+02 SP= -.21E+02 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324717555574E+03 -0.85411E+00 -0.15181E-01 7800 0.260E+01 0.197E-01 RMM: 2 -0.324735127868E+03 -0.17572E-01 -0.13742E-01 5097 0.842E-01 0.890E-01 RMM: 3 -0.324729197708E+03 0.59302E-02 -0.13069E-02 5725 0.233E-01 0.190E-01 RMM: 4 -0.324728892346E+03 0.30536E-03 -0.77700E-04 4839 0.607E-02 0.997E-02 RMM: 5 -0.324728841094E+03 0.51252E-04 -0.11540E-04 3772 0.290E-02 0.839E-02 RMM: 6 -0.324728802890E+03 0.38204E-04 -0.34689E-05 2892 0.178E-02 0.502E-02 RMM: 7 -0.324728807628E+03 -0.47383E-05 -0.35240E-05 2696 0.175E-02 6586 T= 7742. E= 0.67564540E+03 F= 0.63154018E+03 E0= 0.65997326E+03 EK= 0.63047E+02 SP= -.20E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325804741934E+03 -0.10759E+01 -0.16394E-01 7960 0.259E+01 0.190E-01 RMM: 2 -0.325823653372E+03 -0.18911E-01 -0.15559E-01 5176 0.871E-01 0.838E-01 RMM: 3 -0.325817948273E+03 0.57051E-02 -0.13897E-02 5887 0.230E-01 0.163E-01 RMM: 4 -0.325817682418E+03 0.26586E-03 -0.76910E-04 4749 0.625E-02 0.122E-01 RMM: 5 -0.325817589486E+03 0.92932E-04 -0.11757E-04 3754 0.288E-02 0.739E-02 RMM: 6 -0.325817565140E+03 0.24346E-04 -0.29525E-05 2728 0.165E-02 0.509E-02 RMM: 7 -0.325817569647E+03 -0.45066E-05 -0.30918E-05 2624 0.162E-02 6587 T= 7761. E= 0.67563842E+03 F= 0.63045142E+03 E0= 0.65890008E+03 EK= 0.63205E+02 SP= -.19E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327030232735E+03 -0.12127E+01 -0.17684E-01 8160 0.259E+01 0.188E-01 RMM: 2 -0.327049689959E+03 -0.19457E-01 -0.17005E-01 5302 0.886E-01 0.760E-01 RMM: 3 -0.327044536113E+03 0.51538E-02 -0.13854E-02 5905 0.232E-01 0.171E-01 RMM: 4 -0.327044252691E+03 0.28342E-03 -0.76549E-04 4936 0.598E-02 0.118E-01 RMM: 5 -0.327044165808E+03 0.86883E-04 -0.11092E-04 3759 0.281E-02 0.823E-02 RMM: 6 -0.327044137320E+03 0.28488E-04 -0.30455E-05 2731 0.166E-02 0.613E-02 RMM: 7 -0.327044130851E+03 0.64690E-05 -0.50864E-05 3122 0.197E-02 6588 T= 7790. E= 0.67562917E+03 F= 0.62922486E+03 E0= 0.65768918E+03 EK= 0.63438E+02 SP= -.18E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328283337541E+03 -0.12392E+01 -0.18843E-01 8512 0.260E+01 0.185E-01 RMM: 2 -0.328303297717E+03 -0.19960E-01 -0.17894E-01 5503 0.879E-01 0.726E-01 RMM: 3 -0.328298164802E+03 0.51329E-02 -0.12086E-02 5886 0.223E-01 0.163E-01 RMM: 4 -0.328297976109E+03 0.18869E-03 -0.78213E-04 4919 0.593E-02 0.129E-01 RMM: 5 -0.328297862606E+03 0.11350E-03 -0.11210E-04 3739 0.267E-02 0.807E-02 RMM: 6 -0.328297839919E+03 0.22687E-04 -0.27003E-05 2654 0.158E-02 0.624E-02 RMM: 7 -0.328297835026E+03 0.48933E-05 -0.49464E-05 2994 0.187E-02 6589 T= 7814. E= 0.67562020E+03 F= 0.62797115E+03 E0= 0.65644947E+03 EK= 0.63635E+02 SP= -.18E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329450420191E+03 -0.11526E+01 -0.21170E-01 8624 0.260E+01 0.205E-01 RMM: 2 -0.329475165859E+03 -0.24746E-01 -0.21273E-01 5455 0.953E-01 0.864E-01 RMM: 3 -0.329468308684E+03 0.68572E-02 -0.15454E-02 5943 0.243E-01 0.198E-01 RMM: 4 -0.329467932791E+03 0.37589E-03 -0.94771E-04 4829 0.673E-02 0.128E-01 RMM: 5 -0.329467830756E+03 0.10203E-03 -0.13872E-04 3856 0.299E-02 0.862E-02 RMM: 6 -0.329467803811E+03 0.26944E-04 -0.30981E-05 2796 0.167E-02 0.660E-02 RMM: 7 -0.329467805022E+03 -0.12102E-05 -0.35528E-05 2721 0.168E-02 6590 T= 7821. E= 0.67561170E+03 F= 0.62680118E+03 E0= 0.65528924E+03 EK= 0.63687E+02 SP= -.17E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330437669129E+03 -0.96987E+00 -0.23379E-01 8704 0.259E+01 0.222E-01 RMM: 2 -0.330464620083E+03 -0.26951E-01 -0.22071E-01 5656 0.941E-01 0.991E-01 RMM: 3 -0.330455646757E+03 0.89733E-02 -0.13339E-02 5819 0.241E-01 0.192E-01 RMM: 4 -0.330455391795E+03 0.25496E-03 -0.10169E-03 4900 0.661E-02 0.129E-01 RMM: 5 -0.330455291249E+03 0.10055E-03 -0.13393E-04 3868 0.289E-02 0.889E-02 RMM: 6 -0.330455259341E+03 0.31908E-04 -0.32233E-05 2838 0.172E-02 0.638E-02 RMM: 7 -0.330455270676E+03 -0.11335E-04 -0.43713E-05 2917 0.177E-02 6591 T= 7798. E= 0.67560536E+03 F= 0.62581372E+03 E0= 0.65430783E+03 EK= 0.63499E+02 SP= -.16E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331170984630E+03 -0.71573E+00 -0.26044E-01 8816 0.258E+01 0.221E-01 RMM: 2 -0.331199485678E+03 -0.28501E-01 -0.24651E-01 5519 0.100E+00 0.898E-01 RMM: 3 -0.331191706367E+03 0.77793E-02 -0.16625E-02 5981 0.258E-01 0.195E-01 RMM: 4 -0.331191377379E+03 0.32899E-03 -0.10587E-03 4825 0.709E-02 0.150E-01 RMM: 5 -0.331191249389E+03 0.12799E-03 -0.16589E-04 3899 0.332E-02 0.930E-02 RMM: 6 -0.331191207936E+03 0.41453E-04 -0.43249E-05 3075 0.193E-02 0.591E-02 RMM: 7 -0.331191216574E+03 -0.86377E-05 -0.38085E-05 2774 0.177E-02 6592 T= 7738. E= 0.67560207E+03 F= 0.62507777E+03 E0= 0.65357276E+03 EK= 0.63010E+02 SP= -.15E+02 SK= 0.22E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331623541093E+03 -0.43233E+00 -0.28266E-01 8824 0.256E+01 0.244E-01 RMM: 2 -0.331656031632E+03 -0.32491E-01 -0.25960E-01 5590 0.103E+00 0.112E+00 RMM: 3 -0.331645179352E+03 0.10852E-01 -0.17122E-02 5912 0.266E-01 0.213E-01 RMM: 4 -0.331644797786E+03 0.38157E-03 -0.11842E-03 4887 0.736E-02 0.138E-01 RMM: 5 -0.331644693450E+03 0.10434E-03 -0.17244E-04 3940 0.325E-02 0.966E-02 RMM: 6 -0.331644646236E+03 0.47213E-04 -0.46697E-05 3131 0.200E-02 0.576E-02 RMM: 7 -0.331644666170E+03 -0.19934E-04 -0.42476E-05 2872 0.176E-02 6593 T= 7638. E= 0.67560080E+03 F= 0.62462432E+03 E0= 0.65311528E+03 EK= 0.62197E+02 SP= -.14E+02 SK= 0.24E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331794965231E+03 -0.15032E+00 -0.28869E-01 8872 0.254E+01 0.214E-01 RMM: 2 -0.331823536567E+03 -0.28571E-01 -0.25392E-01 5740 0.100E+00 0.833E-01 RMM: 3 -0.331816636562E+03 0.69000E-02 -0.15687E-02 6052 0.246E-01 0.185E-01 RMM: 4 -0.331816352264E+03 0.28430E-03 -0.97129E-04 4803 0.693E-02 0.155E-01 RMM: 5 -0.331816212426E+03 0.13984E-03 -0.16233E-04 3887 0.333E-02 0.891E-02 RMM: 6 -0.331816172373E+03 0.40053E-04 -0.44885E-05 3109 0.197E-02 0.514E-02 RMM: 7 -0.331816189040E+03 -0.16667E-04 -0.39394E-05 2812 0.176E-02 6594 T= 7500. E= 0.67560082E+03 F= 0.62445280E+03 E0= 0.65293368E+03 EK= 0.61072E+02 SP= -.13E+02 SK= 0.26E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331709393911E+03 0.10678E+00 -0.27483E-01 8888 0.250E+01 0.230E-01 RMM: 2 -0.331738485097E+03 -0.29091E-01 -0.24128E-01 5851 0.960E-01 0.986E-01 RMM: 3 -0.331729372536E+03 0.91126E-02 -0.12772E-02 6000 0.232E-01 0.194E-01 RMM: 4 -0.331729112003E+03 0.26053E-03 -0.97246E-04 4784 0.687E-02 0.148E-01 RMM: 5 -0.331728981248E+03 0.13076E-03 -0.15767E-04 3891 0.316E-02 0.917E-02 RMM: 6 -0.331728937365E+03 0.43883E-04 -0.46298E-05 3143 0.202E-02 0.512E-02 RMM: 7 -0.331728959572E+03 -0.22207E-04 -0.41098E-05 2910 0.171E-02 0.892E-02 RMM: 8 -0.331728911645E+03 0.47928E-04 -0.57995E-05 3414 0.207E-02 0.257E-02 RMM: 9 -0.331728911906E+03 -0.26125E-06 -0.14275E-05 2472 0.108E-02 6595 T= 7328. E= 0.67560160E+03 F= 0.62454008E+03 E0= 0.65300531E+03 EK= 0.59672E+02 SP= -.11E+02 SK= 0.27E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331399976430E+03 0.32894E+00 -0.25422E-01 8792 0.247E+01 0.206E-01 RMM: 2 -0.331424712935E+03 -0.24737E-01 -0.22125E-01 6095 0.898E-01 0.765E-01 RMM: 3 -0.331418247424E+03 0.64655E-02 -0.96897E-03 5955 0.204E-01 0.152E-01 RMM: 4 -0.331418224798E+03 0.22626E-04 -0.84201E-04 4787 0.648E-02 0.190E-01 RMM: 5 -0.331417978585E+03 0.24621E-03 -0.17748E-04 3882 0.343E-02 0.728E-02 RMM: 6 -0.331417949219E+03 0.29366E-04 -0.40971E-05 3071 0.192E-02 0.425E-02 RMM: 7 -0.331417959693E+03 -0.10474E-04 -0.33569E-05 2632 0.158E-02 6596 T= 7128. E= 0.67560336E+03 F= 0.62485103E+03 E0= 0.65329477E+03 EK= 0.58047E+02 SP= -.10E+02 SK= 0.29E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330910870432E+03 0.50708E+00 -0.22805E-01 8816 0.243E+01 0.190E-01 RMM: 2 -0.330933340351E+03 -0.22470E-01 -0.19999E-01 6132 0.855E-01 0.735E-01 RMM: 3 -0.330927298224E+03 0.60421E-02 -0.89030E-03 6107 0.194E-01 0.163E-01 RMM: 4 -0.330927119167E+03 0.17906E-03 -0.65532E-04 4812 0.548E-02 0.121E-01 RMM: 5 -0.330927016007E+03 0.10316E-03 -0.92421E-05 3638 0.240E-02 0.710E-02 RMM: 6 -0.330926999541E+03 0.16466E-04 -0.27875E-05 2705 0.161E-02 6597 T= 6908. E= 0.67560531E+03 F= 0.62534199E+03 E0= 0.65376092E+03 EK= 0.56255E+02 SP= -.90E+01 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330287141801E+03 0.63987E+00 -0.21160E-01 8824 0.240E+01 0.245E-01 RMM: 2 -0.330316819473E+03 -0.29678E-01 -0.19887E-01 5592 0.891E-01 0.129E+00 RMM: 3 -0.330303725471E+03 0.13094E-01 -0.14069E-02 5481 0.260E-01 0.234E-01 RMM: 4 -0.330303350987E+03 0.37448E-03 -0.12939E-03 4973 0.720E-02 0.116E-01 RMM: 5 -0.330303258326E+03 0.92661E-04 -0.14611E-04 4146 0.298E-02 0.790E-02 RMM: 6 -0.330303227753E+03 0.30573E-04 -0.31147E-05 2769 0.164E-02 0.577E-02 RMM: 7 -0.330303248283E+03 -0.20530E-04 -0.61317E-05 3396 0.211E-02 0.907E-02 RMM: 8 -0.330303193172E+03 0.55111E-04 -0.75538E-05 3774 0.201E-02 0.331E-02 RMM: 9 -0.330303189693E+03 0.34783E-05 -0.14566E-05 2511 0.109E-02 6598 T= 6675. E= 0.67560753E+03 F= 0.62596580E+03 E0= 0.65435776E+03 EK= 0.54356E+02 SP= -.77E+01 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329583140748E+03 0.72005E+00 -0.18255E-01 8832 0.236E+01 0.316E-01 RMM: 2 -0.329615815766E+03 -0.32675E-01 -0.17759E-01 5255 0.875E-01 0.161E+00 RMM: 3 -0.329597241917E+03 0.18574E-01 -0.15411E-02 5620 0.271E-01 0.285E-01 RMM: 4 -0.329596682653E+03 0.55926E-03 -0.17295E-03 4856 0.906E-02 0.152E-01 RMM: 5 -0.329596646521E+03 0.36132E-04 -0.26069E-04 3902 0.388E-02 0.142E-01 RMM: 6 -0.329596507983E+03 0.13854E-03 -0.78177E-05 3529 0.258E-02 0.369E-02 RMM: 7 -0.329596515081E+03 -0.70981E-05 -0.26571E-05 2627 0.149E-02 6599 T= 6436. E= 0.67561072E+03 F= 0.62667247E+03 E0= 0.65503810E+03 EK= 0.52412E+02 SP= -.65E+01 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328853083702E+03 0.74342E+00 -0.15820E-01 8840 0.233E+01 0.203E-01 RMM: 2 -0.328874311936E+03 -0.21228E-01 -0.15604E-01 5477 0.814E-01 0.100E+00 RMM: 3 -0.328866051091E+03 0.82608E-02 -0.11485E-02 5647 0.225E-01 0.179E-01 RMM: 4 -0.328865793046E+03 0.25804E-03 -0.90164E-04 4944 0.606E-02 0.102E-01 RMM: 5 -0.328865726931E+03 0.66115E-04 -0.97839E-05 3781 0.254E-02 0.737E-02 RMM: 6 -0.328865700773E+03 0.26158E-04 -0.25867E-05 2591 0.154E-02 0.519E-02 RMM: 7 -0.328865717722E+03 -0.16949E-04 -0.47982E-05 3084 0.184E-02 6600 T= 6200. E= 0.67561464E+03 F= 0.62740327E+03 E0= 0.65574452E+03 EK= 0.50493E+02 SP= -.53E+01 SK= 0.30E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328167162908E+03 0.69854E+00 -0.13868E-01 8456 0.230E+01 0.242E-01 RMM: 2 -0.328190022280E+03 -0.22859E-01 -0.15228E-01 5014 0.856E-01 0.118E+00 RMM: 3 -0.328179882695E+03 0.10140E-01 -0.14930E-02 5789 0.249E-01 0.216E-01 RMM: 4 -0.328179457126E+03 0.42557E-03 -0.10983E-03 4808 0.714E-02 0.111E-01 RMM: 5 -0.328179402466E+03 0.54660E-04 -0.15225E-04 3867 0.311E-02 0.880E-02 RMM: 6 -0.328179354592E+03 0.47874E-04 -0.35118E-05 2909 0.179E-02 0.427E-02 RMM: 7 -0.328179354474E+03 0.11797E-06 -0.18497E-05 2514 0.135E-02 6601 T= 5977. E= 0.67561961E+03 F= 0.62808963E+03 E0= 0.65640945E+03 EK= 0.48672E+02 SP= -.41E+01 SK= 0.29E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327602690822E+03 0.57666E+00 -0.12454E-01 8192 0.228E+01 0.200E-01 RMM: 2 -0.327620773231E+03 -0.18082E-01 -0.13459E-01 5109 0.803E-01 0.928E-01 RMM: 3 -0.327614184166E+03 0.65891E-02 -0.12627E-02 5802 0.225E-01 0.183E-01 RMM: 4 -0.327613861578E+03 0.32259E-03 -0.84367E-04 4763 0.622E-02 0.108E-01 RMM: 5 -0.327613791929E+03 0.69649E-04 -0.11055E-04 3759 0.273E-02 0.734E-02 RMM: 6 -0.327613764233E+03 0.27696E-04 -0.26173E-05 2600 0.154E-02 0.499E-02 RMM: 7 -0.327613770376E+03 -0.61432E-05 -0.33144E-05 2694 0.163E-02 6602 T= 5775. E= 0.67562418E+03 F= 0.62865522E+03 E0= 0.65695754E+03 EK= 0.47030E+02 SP= -.29E+01 SK= 0.28E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327230952652E+03 0.38281E+00 -0.11573E-01 7896 0.226E+01 0.233E-01 RMM: 2 -0.327251036197E+03 -0.20084E-01 -0.13109E-01 4890 0.834E-01 0.113E+00 RMM: 3 -0.327242035905E+03 0.90003E-02 -0.14459E-02 5718 0.244E-01 0.209E-01 RMM: 4 -0.327241638081E+03 0.39782E-03 -0.10308E-03 4828 0.687E-02 0.103E-01 RMM: 5 -0.327241604913E+03 0.33168E-04 -0.15002E-04 3866 0.314E-02 0.914E-02 RMM: 6 -0.327241552603E+03 0.52309E-04 -0.41506E-05 3067 0.190E-02 0.376E-02 RMM: 7 -0.327241556697E+03 -0.40939E-05 -0.17282E-05 2517 0.131E-02 6603 T= 5604. E= 0.67562844E+03 F= 0.62902743E+03 E0= 0.65731595E+03 EK= 0.45640E+02 SP= -.17E+01 SK= 0.27E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327113364652E+03 0.12819E+00 -0.10308E-01 7864 0.224E+01 0.182E-01 RMM: 2 -0.327128026545E+03 -0.14662E-01 -0.10925E-01 4904 0.755E-01 0.846E-01 RMM: 3 -0.327122945378E+03 0.50812E-02 -0.12410E-02 5888 0.208E-01 0.158E-01 RMM: 4 -0.327122645889E+03 0.29949E-03 -0.71574E-04 4678 0.607E-02 0.110E-01 RMM: 5 -0.327122568146E+03 0.77743E-04 -0.10115E-04 3629 0.268E-02 0.633E-02 RMM: 6 -0.327122547594E+03 0.20552E-04 -0.24014E-05 2569 0.149E-02 0.402E-02 RMM: 7 -0.327122548456E+03 -0.86184E-06 -0.22266E-05 2566 0.141E-02 6604 T= 5472. E= 0.67563099E+03 F= 0.62914644E+03 E0= 0.65742580E+03 EK= 0.44557E+02 SP= -.57E+00 SK= 0.25E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327282465028E+03 -0.15992E+00 -0.10215E-01 7736 0.223E+01 0.189E-01 RMM: 2 -0.327296383842E+03 -0.13919E-01 -0.10210E-01 4810 0.758E-01 0.857E-01 RMM: 3 -0.327291229487E+03 0.51544E-02 -0.11705E-02 5744 0.212E-01 0.171E-01 RMM: 4 -0.327290932515E+03 0.29697E-03 -0.71199E-04 4794 0.591E-02 0.913E-02 RMM: 5 -0.327290899766E+03 0.32749E-04 -0.10603E-04 3682 0.276E-02 0.780E-02 RMM: 6 -0.327290861056E+03 0.38711E-04 -0.30594E-05 2814 0.169E-02 0.314E-02 RMM: 7 -0.327290862988E+03 -0.19324E-05 -0.15737E-05 2503 0.123E-02 6605 T= 5380. E= 0.67563178E+03 F= 0.62897813E+03 E0= 0.65725215E+03 EK= 0.43813E+02 SP= 0.53E+00 SK= 0.23E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327747741058E+03 -0.45688E+00 -0.95633E-02 7736 0.222E+01 0.156E-01 RMM: 2 -0.327757531688E+03 -0.97906E-02 -0.75995E-02 4994 0.646E-01 0.688E-01 RMM: 3 -0.327754184805E+03 0.33469E-02 -0.81738E-03 5852 0.169E-01 0.131E-01 RMM: 4 -0.327754000498E+03 0.18431E-03 -0.46779E-04 4428 0.509E-02 0.987E-02 RMM: 5 -0.327753933068E+03 0.67430E-04 -0.71340E-05 3444 0.241E-02 0.517E-02 RMM: 6 -0.327753920534E+03 0.12535E-04 -0.19240E-05 2532 0.132E-02 6606 T= 5330. E= 0.67563110E+03 F= 0.62851507E+03 E0= 0.65678796E+03 EK= 0.43408E+02 SP= 0.16E+01 SK= 0.21E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328488096776E+03 -0.73416E+00 -0.94009E-02 7672 0.222E+01 0.181E-01 RMM: 2 -0.328500174864E+03 -0.12078E-01 -0.69441E-02 5023 0.626E-01 0.946E-01 RMM: 3 -0.328493872753E+03 0.63021E-02 -0.78526E-03 5498 0.186E-01 0.172E-01 RMM: 4 -0.328493648728E+03 0.22403E-03 -0.62358E-04 4657 0.526E-02 0.735E-02 RMM: 5 -0.328493616147E+03 0.32581E-04 -0.78921E-05 3603 0.236E-02 0.612E-02 RMM: 6 -0.328493595862E+03 0.20285E-04 -0.21347E-05 2549 0.140E-02 0.411E-02 RMM: 7 -0.328493598151E+03 -0.22890E-05 -0.20193E-05 2508 0.139E-02 6607 T= 5320. E= 0.67562850E+03 F= 0.62777539E+03 E0= 0.65605067E+03 EK= 0.43321E+02 SP= 0.26E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329464997154E+03 -0.97140E+00 -0.91136E-02 7600 0.222E+01 0.194E-01 RMM: 2 -0.329476168626E+03 -0.11171E-01 -0.65039E-02 4982 0.624E-01 0.930E-01 RMM: 3 -0.329470229210E+03 0.59394E-02 -0.76338E-03 5524 0.186E-01 0.186E-01 RMM: 4 -0.329470000069E+03 0.22914E-03 -0.70455E-04 4622 0.590E-02 0.962E-02 RMM: 5 -0.329469961415E+03 0.38654E-04 -0.10524E-04 3709 0.268E-02 0.741E-02 RMM: 6 -0.329469925720E+03 0.35695E-04 -0.23991E-05 2596 0.154E-02 0.243E-02 RMM: 7 -0.329469927145E+03 -0.14246E-05 -0.12056E-05 2479 0.108E-02 6608 T= 5342. E= 0.67562467E+03 F= 0.62679906E+03 E0= 0.65508017E+03 EK= 0.43504E+02 SP= 0.35E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330622736469E+03 -0.11528E+01 -0.90297E-02 7680 0.222E+01 0.157E-01 RMM: 2 -0.330632415587E+03 -0.96791E-02 -0.66863E-02 4994 0.617E-01 0.769E-01 RMM: 3 -0.330628346466E+03 0.40691E-02 -0.74646E-03 5693 0.169E-01 0.130E-01 RMM: 4 -0.330628177422E+03 0.16904E-03 -0.44919E-04 4437 0.474E-02 0.862E-02 RMM: 5 -0.330628123725E+03 0.53698E-04 -0.64048E-05 3397 0.230E-02 0.545E-02 RMM: 6 -0.330628107630E+03 0.16095E-04 -0.20285E-05 2521 0.135E-02 6609 T= 5391. E= 0.67562006E+03 F= 0.62564088E+03 E0= 0.65392996E+03 EK= 0.43900E+02 SP= 0.45E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331899508104E+03 -0.12714E+01 -0.90524E-02 7664 0.223E+01 0.169E-01 RMM: 2 -0.331911427349E+03 -0.11919E-01 -0.68047E-02 4958 0.624E-01 0.943E-01 RMM: 3 -0.331905209345E+03 0.62180E-02 -0.79861E-03 5509 0.187E-01 0.146E-01 RMM: 4 -0.331905035318E+03 0.17403E-03 -0.57731E-04 4829 0.469E-02 0.667E-02 RMM: 5 -0.331904998034E+03 0.37284E-04 -0.52595E-05 3082 0.221E-02 0.544E-02 RMM: 6 -0.331904987360E+03 0.10674E-04 -0.21808E-05 2519 0.139E-02 6610 T= 5457. E= 0.67561493E+03 F= 0.62436400E+03 E0= 0.65266248E+03 EK= 0.44442E+02 SP= 0.53E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333229421784E+03 -0.13244E+01 -0.91837E-02 7640 0.224E+01 0.289E-01 RMM: 2 -0.333252932920E+03 -0.23511E-01 -0.73758E-02 4982 0.672E-01 0.162E+00 RMM: 3 -0.333234957059E+03 0.17976E-01 -0.11358E-02 5373 0.255E-01 0.261E-01 RMM: 4 -0.333234448520E+03 0.50854E-03 -0.12602E-03 4651 0.723E-02 0.848E-02 RMM: 5 -0.333234435099E+03 0.13421E-04 -0.15208E-04 3897 0.305E-02 6611 T= 5533. E= 0.67561007E+03 F= 0.62303455E+03 E0= 0.65134224E+03 EK= 0.45061E+02 SP= 0.62E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334548996533E+03 -0.13145E+01 -0.94433E-02 7552 0.225E+01 0.195E-01 RMM: 2 -0.334562645312E+03 -0.13649E-01 -0.67421E-02 5031 0.606E-01 0.105E+00 RMM: 3 -0.334554754865E+03 0.78904E-02 -0.82885E-03 5407 0.202E-01 0.225E-01 RMM: 4 -0.334554409046E+03 0.34582E-03 -0.80583E-04 4659 0.582E-02 0.793E-02 RMM: 5 -0.334554366730E+03 0.42316E-04 -0.92916E-05 3776 0.250E-02 0.631E-02 RMM: 6 -0.334554345449E+03 0.21281E-04 -0.19790E-05 2527 0.131E-02 0.446E-02 RMM: 7 -0.334554345569E+03 -0.12015E-06 -0.20596E-05 2560 0.133E-02 6612 T= 5611. E= 0.67560565E+03 F= 0.62171464E+03 E0= 0.65003081E+03 EK= 0.45692E+02 SP= 0.70E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335805946304E+03 -0.12516E+01 -0.97494E-02 7584 0.226E+01 0.223E-01 RMM: 2 -0.335819305694E+03 -0.13359E-01 -0.69568E-02 4843 0.651E-01 0.108E+00 RMM: 3 -0.335811356011E+03 0.79497E-02 -0.86201E-03 5450 0.204E-01 0.168E-01 RMM: 4 -0.335811210592E+03 0.14542E-03 -0.79268E-04 4652 0.590E-02 0.120E-01 RMM: 5 -0.335811151925E+03 0.58668E-04 -0.12407E-04 3803 0.286E-02 0.815E-02 RMM: 6 -0.335811107592E+03 0.44333E-04 -0.32759E-05 2939 0.177E-02 0.194E-02 RMM: 7 -0.335811110185E+03 -0.25931E-05 -0.10861E-05 2474 0.103E-02 6613 T= 5683. E= 0.67560226E+03 F= 0.62045788E+03 E0= 0.64877829E+03 EK= 0.46282E+02 SP= 0.77E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336956589932E+03 -0.11455E+01 -0.95831E-02 7768 0.227E+01 0.153E-01 RMM: 2 -0.336966493942E+03 -0.99040E-02 -0.79290E-02 4832 0.683E-01 0.677E-01 RMM: 3 -0.336963532411E+03 0.29615E-02 -0.96189E-03 5897 0.179E-01 0.113E-01 RMM: 4 -0.336963348660E+03 0.18375E-03 -0.47387E-04 4553 0.520E-02 0.114E-01 RMM: 5 -0.336963252670E+03 0.95990E-04 -0.81238E-05 3543 0.267E-02 0.465E-02 RMM: 6 -0.336963241295E+03 0.11375E-04 -0.20066E-05 2515 0.125E-02 6614 T= 5745. E= 0.67559981E+03 F= 0.61930575E+03 E0= 0.64762478E+03 EK= 0.46787E+02 SP= 0.85E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337975567519E+03 -0.10123E+01 -0.10051E-01 7504 0.227E+01 0.160E-01 RMM: 2 -0.337989426404E+03 -0.13859E-01 -0.95772E-02 4748 0.741E-01 0.876E-01 RMM: 3 -0.337983999753E+03 0.54267E-02 -0.11583E-02 5720 0.202E-01 0.152E-01 RMM: 4 -0.337983703635E+03 0.29612E-03 -0.60558E-04 4804 0.542E-02 0.624E-02 RMM: 5 -0.337983674206E+03 0.29429E-04 -0.79531E-05 3599 0.245E-02 0.532E-02 RMM: 6 -0.337983662103E+03 0.12102E-04 -0.23331E-05 2536 0.143E-02 6615 T= 5794. E= 0.67559862E+03 F= 0.61828533E+03 E0= 0.64659737E+03 EK= 0.47182E+02 SP= 0.92E+01 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338856505374E+03 -0.87283E+00 -0.94847E-02 7560 0.227E+01 0.313E-01 RMM: 2 -0.338885812659E+03 -0.29307E-01 -0.82075E-02 4881 0.722E-01 0.184E+00 RMM: 3 -0.338862496708E+03 0.23316E-01 -0.13244E-02 5380 0.276E-01 0.259E-01 RMM: 4 -0.338862017319E+03 0.47939E-03 -0.14552E-03 4715 0.774E-02 0.876E-02 RMM: 5 -0.338861991236E+03 0.26083E-04 -0.16768E-04 3923 0.306E-02 0.882E-02 RMM: 6 -0.338861941265E+03 0.49971E-04 -0.36294E-05 2971 0.184E-02 0.309E-02 RMM: 7 -0.338861941922E+03 -0.65688E-06 -0.13676E-05 2492 0.117E-02 6616 T= 5827. E= 0.67559793E+03 F= 0.61740705E+03 E0= 0.64570519E+03 EK= 0.47455E+02 SP= 0.99E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339594107154E+03 -0.73217E+00 -0.98930E-02 7544 0.227E+01 0.210E-01 RMM: 2 -0.339611044118E+03 -0.16937E-01 -0.76370E-02 5017 0.647E-01 0.122E+00 RMM: 3 -0.339600354107E+03 0.10690E-01 -0.93540E-03 5422 0.211E-01 0.206E-01 RMM: 4 -0.339600059673E+03 0.29443E-03 -0.93658E-04 4689 0.652E-02 0.857E-02 RMM: 5 -0.339600020794E+03 0.38879E-04 -0.11731E-04 3874 0.269E-02 0.669E-02 RMM: 6 -0.339599992080E+03 0.28714E-04 -0.22339E-05 2573 0.145E-02 0.274E-02 RMM: 7 -0.339599994052E+03 -0.19720E-05 -0.14394E-05 2492 0.119E-02 6617 T= 5846. E= 0.67559842E+03 F= 0.61666900E+03 E0= 0.64494673E+03 EK= 0.47608E+02 SP= 0.11E+02 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340206860265E+03 -0.60687E+00 -0.98778E-02 7704 0.226E+01 0.169E-01 RMM: 2 -0.340218021216E+03 -0.11161E-01 -0.73877E-02 4805 0.659E-01 0.852E-01 RMM: 3 -0.340213079480E+03 0.49417E-02 -0.88844E-03 5647 0.189E-01 0.142E-01 RMM: 4 -0.340212885945E+03 0.19354E-03 -0.54897E-04 4708 0.512E-02 0.778E-02 RMM: 5 -0.340212848870E+03 0.37075E-04 -0.73477E-05 3515 0.234E-02 0.578E-02 RMM: 6 -0.340212829965E+03 0.18905E-04 -0.21547E-05 2540 0.141E-02 6618 T= 5852. E= 0.67559977E+03 F= 0.61605616E+03 E0= 0.64430815E+03 EK= 0.47659E+02 SP= 0.11E+02 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340718549102E+03 -0.50570E+00 -0.98578E-02 7656 0.225E+01 0.143E-01 RMM: 2 -0.340727626135E+03 -0.90770E-02 -0.65811E-02 4972 0.601E-01 0.703E-01 RMM: 3 -0.340724097806E+03 0.35283E-02 -0.72487E-03 5702 0.166E-01 0.123E-01 RMM: 4 -0.340723934193E+03 0.16361E-03 -0.39076E-04 4524 0.429E-02 0.651E-02 RMM: 5 -0.340723900493E+03 0.33700E-04 -0.40925E-05 2796 0.192E-02 0.500E-02 RMM: 6 -0.340723893031E+03 0.74624E-05 -0.17781E-05 2498 0.131E-02 6619 T= 5849. E= 0.67560143E+03 F= 0.61554510E+03 E0= 0.64376779E+03 EK= 0.47631E+02 SP= 0.12E+02 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341157182525E+03 -0.43328E+00 -0.10189E-01 7640 0.225E+01 0.266E-01 RMM: 2 -0.341179727498E+03 -0.22545E-01 -0.71526E-02 4844 0.662E-01 0.157E+00 RMM: 3 -0.341162574049E+03 0.17153E-01 -0.11015E-02 5377 0.251E-01 0.242E-01 RMM: 4 -0.341162145529E+03 0.42852E-03 -0.11516E-03 4783 0.677E-02 0.625E-02 RMM: 5 -0.341162138931E+03 0.65981E-05 -0.11831E-04 3870 0.272E-02 6620 T= 5839. E= 0.67560407E+03 F= 0.61510685E+03 E0= 0.64329888E+03 EK= 0.47553E+02 SP= 0.12E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341553630366E+03 -0.39148E+00 -0.10128E-01 7672 0.224E+01 0.185E-01 RMM: 2 -0.341570279553E+03 -0.16649E-01 -0.77153E-02 4903 0.639E-01 0.117E+00 RMM: 3 -0.341560094693E+03 0.10185E-01 -0.92031E-03 5406 0.213E-01 0.181E-01 RMM: 4 -0.341559863996E+03 0.23070E-03 -0.84660E-04 4802 0.586E-02 0.853E-02 RMM: 5 -0.341559821541E+03 0.42455E-04 -0.88296E-05 3690 0.256E-02 0.612E-02 RMM: 6 -0.341559801508E+03 0.20033E-04 -0.20328E-05 2535 0.133E-02 0.425E-02 RMM: 7 -0.341559804468E+03 -0.29592E-05 -0.22825E-05 2577 0.142E-02 6621 T= 5828. E= 0.67560645E+03 F= 0.61470918E+03 E0= 0.64287081E+03 EK= 0.47459E+02 SP= 0.13E+02 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341940953157E+03 -0.38115E+00 -0.99354E-02 7808 0.223E+01 0.195E-01 RMM: 2 -0.341951796965E+03 -0.10844E-01 -0.75737E-02 4702 0.664E-01 0.822E-01 RMM: 3 -0.341947054614E+03 0.47424E-02 -0.92034E-03 5608 0.198E-01 0.140E-01 RMM: 4 -0.341946973982E+03 0.80632E-04 -0.67962E-04 4676 0.574E-02 0.135E-01 RMM: 5 -0.341946890852E+03 0.83130E-04 -0.11065E-04 3689 0.273E-02 0.866E-02 RMM: 6 -0.341946842138E+03 0.48714E-04 -0.36152E-05 2976 0.186E-02 0.185E-02 RMM: 7 -0.341946846362E+03 -0.42239E-05 -0.11020E-05 2483 0.107E-02 6622 T= 5818. E= 0.67560787E+03 F= 0.61432214E+03 E0= 0.64245693E+03 EK= 0.47377E+02 SP= 0.13E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342339650457E+03 -0.39281E+00 -0.97585E-02 7984 0.223E+01 0.118E-01 RMM: 2 -0.342348863548E+03 -0.92131E-02 -0.80567E-02 4905 0.649E-01 0.533E-01 RMM: 3 -0.342346548961E+03 0.23146E-02 -0.82135E-03 5978 0.167E-01 0.105E-01 RMM: 4 -0.342346386099E+03 0.16286E-03 -0.36720E-04 4445 0.465E-02 0.799E-02 RMM: 5 -0.342346334546E+03 0.51552E-04 -0.49606E-05 3130 0.226E-02 0.434E-02 RMM: 6 -0.342346327157E+03 0.73893E-05 -0.18588E-05 2508 0.125E-02 6623 T= 5812. E= 0.67560867E+03 F= 0.61392266E+03 E0= 0.64203478E+03 EK= 0.47330E+02 SP= 0.14E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342765880612E+03 -0.41955E+00 -0.96095E-02 7936 0.223E+01 0.185E-01 RMM: 2 -0.342779003353E+03 -0.13123E-01 -0.71216E-02 4892 0.636E-01 0.102E+00 RMM: 3 -0.342771698330E+03 0.73050E-02 -0.83966E-03 5545 0.196E-01 0.175E-01 RMM: 4 -0.342771446803E+03 0.25153E-03 -0.64568E-04 4728 0.535E-02 0.680E-02 RMM: 5 -0.342771428047E+03 0.18756E-04 -0.80650E-05 3618 0.247E-02 6624 T= 5812. E= 0.67560931E+03 F= 0.61349756E+03 E0= 0.64159435E+03 EK= 0.47333E+02 SP= 0.14E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343217692209E+03 -0.44625E+00 -0.95733E-02 7992 0.223E+01 0.146E-01 RMM: 2 -0.343227854928E+03 -0.10163E-01 -0.74101E-02 5089 0.617E-01 0.718E-01 RMM: 3 -0.343223886619E+03 0.39683E-02 -0.73996E-03 5624 0.171E-01 0.166E-01 RMM: 4 -0.343223656358E+03 0.23026E-03 -0.49948E-04 4443 0.495E-02 0.710E-02 RMM: 5 -0.343223621095E+03 0.35264E-04 -0.55318E-05 3287 0.205E-02 0.613E-02 RMM: 6 -0.343223608829E+03 0.12266E-04 -0.19925E-05 2514 0.138E-02 6625 T= 5819. E= 0.67560935E+03 F= 0.61304538E+03 E0= 0.64113460E+03 EK= 0.47386E+02 SP= 0.15E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343686082511E+03 -0.46246E+00 -0.99992E-02 7968 0.224E+01 0.264E-01 RMM: 2 -0.343703487411E+03 -0.17405E-01 -0.88833E-02 4909 0.705E-01 0.124E+00 RMM: 3 -0.343693002924E+03 0.10484E-01 -0.11729E-02 5439 0.244E-01 0.236E-01 RMM: 4 -0.343692580668E+03 0.42226E-03 -0.11157E-03 4802 0.667E-02 0.814E-02 RMM: 5 -0.343692577451E+03 0.32175E-05 -0.14211E-04 3865 0.303E-02 6626 T= 5830. E= 0.67560833E+03 F= 0.61257641E+03 E0= 0.64066824E+03 EK= 0.47477E+02 SP= 0.15E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344150133315E+03 -0.45755E+00 -0.97746E-02 7944 0.225E+01 0.206E-01 RMM: 2 -0.344164386377E+03 -0.14253E-01 -0.78808E-02 5062 0.655E-01 0.105E+00 RMM: 3 -0.344156660676E+03 0.77257E-02 -0.90234E-03 5514 0.205E-01 0.189E-01 RMM: 4 -0.344156400185E+03 0.26049E-03 -0.81038E-04 4720 0.596E-02 0.111E-01 RMM: 5 -0.344156328634E+03 0.71551E-04 -0.11539E-04 3827 0.285E-02 0.663E-02 RMM: 6 -0.344156302481E+03 0.26153E-04 -0.25669E-05 2619 0.155E-02 0.377E-02 RMM: 7 -0.344156311106E+03 -0.86249E-05 -0.23497E-05 2542 0.143E-02 6627 T= 5843. E= 0.67560695E+03 F= 0.61211268E+03 E0= 0.64021611E+03 EK= 0.47585E+02 SP= 0.16E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344580689094E+03 -0.42439E+00 -0.10155E-01 8152 0.225E+01 0.154E-01 RMM: 2 -0.344590282203E+03 -0.95931E-02 -0.80378E-02 4898 0.663E-01 0.630E-01 RMM: 3 -0.344587475010E+03 0.28072E-02 -0.87671E-03 6023 0.175E-01 0.126E-01 RMM: 4 -0.344587278840E+03 0.19617E-03 -0.46511E-04 4511 0.514E-02 0.107E-01 RMM: 5 -0.344587206901E+03 0.71939E-04 -0.76968E-05 3509 0.259E-02 0.458E-02 RMM: 6 -0.344587194596E+03 0.12306E-04 -0.17427E-05 2529 0.126E-02 6628 T= 5855. E= 0.67560502E+03 F= 0.61168179E+03 E0= 0.63980702E+03 EK= 0.47681E+02 SP= 0.16E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344949652413E+03 -0.36245E+00 -0.96069E-02 8208 0.226E+01 0.176E-01 RMM: 2 -0.344961002697E+03 -0.11350E-01 -0.71668E-02 5249 0.615E-01 0.903E-01 RMM: 3 -0.344955361036E+03 0.56417E-02 -0.70168E-03 5776 0.172E-01 0.157E-01 RMM: 4 -0.344955140196E+03 0.22084E-03 -0.50670E-04 4564 0.488E-02 0.806E-02 RMM: 5 -0.344955082874E+03 0.57322E-04 -0.68227E-05 3556 0.227E-02 0.475E-02 RMM: 6 -0.344955072841E+03 0.10033E-04 -0.17448E-05 2522 0.123E-02 6629 T= 5862. E= 0.67560305E+03 F= 0.61131392E+03 E0= 0.63946932E+03 EK= 0.47736E+02 SP= 0.16E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345224526310E+03 -0.26944E+00 -0.96651E-02 8240 0.226E+01 0.195E-01 RMM: 2 -0.345239154236E+03 -0.14628E-01 -0.64967E-02 5266 0.582E-01 0.115E+00 RMM: 3 -0.345229494893E+03 0.96593E-02 -0.67629E-03 5443 0.186E-01 0.162E-01 RMM: 4 -0.345229309894E+03 0.18500E-03 -0.68694E-04 4741 0.531E-02 0.695E-02 RMM: 5 -0.345229277968E+03 0.31925E-04 -0.72227E-05 3631 0.218E-02 0.563E-02 RMM: 6 -0.345229261325E+03 0.16644E-04 -0.17268E-05 2531 0.128E-02 6630 T= 5860. E= 0.67560134E+03 F= 0.61103973E+03 E0= 0.63923323E+03 EK= 0.47719E+02 SP= 0.17E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345377601770E+03 -0.14832E+00 -0.96563E-02 8088 0.227E+01 0.262E-01 RMM: 2 -0.345398159370E+03 -0.20558E-01 -0.70932E-02 5256 0.627E-01 0.150E+00 RMM: 3 -0.345382755812E+03 0.15404E-01 -0.91728E-03 5439 0.225E-01 0.242E-01 RMM: 4 -0.345382336294E+03 0.41952E-03 -0.10449E-03 4676 0.671E-02 0.835E-02 RMM: 5 -0.345382314202E+03 0.22092E-04 -0.12774E-04 3863 0.285E-02 0.825E-02 RMM: 6 -0.345382269009E+03 0.45193E-04 -0.25228E-05 2679 0.156E-02 0.394E-02 RMM: 7 -0.345382268008E+03 0.10008E-05 -0.15494E-05 2494 0.122E-02 6631 T= 5846. E= 0.67560016E+03 F= 0.61088672E+03 E0= 0.63912351E+03 EK= 0.47604E+02 SP= 0.17E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345387181780E+03 -0.49128E-02 -0.98060E-02 8304 0.227E+01 0.184E-01 RMM: 2 -0.345398951772E+03 -0.11770E-01 -0.66549E-02 5169 0.583E-01 0.939E-01 RMM: 3 -0.345392451692E+03 0.65001E-02 -0.69103E-03 5455 0.183E-01 0.197E-01 RMM: 4 -0.345392206279E+03 0.24541E-03 -0.72953E-04 4682 0.572E-02 0.855E-02 RMM: 5 -0.345392191441E+03 0.14838E-04 -0.10032E-04 3721 0.260E-02 6632 T= 5817. E= 0.67560032E+03 F= 0.61087680E+03 E0= 0.63915986E+03 EK= 0.47371E+02 SP= 0.17E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345237395963E+03 0.15481E+00 -0.96359E-02 8120 0.227E+01 0.154E-01 RMM: 2 -0.345248113997E+03 -0.10718E-01 -0.66917E-02 5266 0.575E-01 0.868E-01 RMM: 3 -0.345242670704E+03 0.54433E-02 -0.61898E-03 5664 0.165E-01 0.137E-01 RMM: 4 -0.345242514349E+03 0.15636E-03 -0.44167E-04 4604 0.420E-02 0.693E-02 RMM: 5 -0.345242470117E+03 0.44232E-04 -0.39433E-05 2733 0.194E-02 0.521E-02 RMM: 6 -0.345242462420E+03 0.76969E-05 -0.21771E-05 2517 0.140E-02 6633 T= 5772. E= 0.67560056E+03 F= 0.61102653E+03 E0= 0.63935786E+03 EK= 0.47003E+02 SP= 0.17E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344917318453E+03 0.32515E+00 -0.97872E-02 7984 0.226E+01 0.230E-01 RMM: 2 -0.344937604111E+03 -0.20286E-01 -0.76526E-02 4846 0.644E-01 0.142E+00 RMM: 3 -0.344923360716E+03 0.14243E-01 -0.10166E-02 5421 0.230E-01 0.198E-01 RMM: 4 -0.344923072056E+03 0.28866E-03 -0.10094E-03 4869 0.621E-02 0.621E-02 RMM: 5 -0.344923059872E+03 0.12184E-04 -0.95032E-05 3784 0.248E-02 6634 T= 5709. E= 0.67560143E+03 F= 0.61134593E+03 E0= 0.63972487E+03 EK= 0.46493E+02 SP= 0.18E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344432607865E+03 0.49046E+00 -0.93829E-02 8024 0.225E+01 0.218E-01 RMM: 2 -0.344452142308E+03 -0.19534E-01 -0.68227E-02 5116 0.592E-01 0.142E+00 RMM: 3 -0.344437873663E+03 0.14269E-01 -0.86294E-03 5402 0.215E-01 0.188E-01 RMM: 4 -0.344437629525E+03 0.24414E-03 -0.89360E-04 4826 0.594E-02 0.824E-02 RMM: 5 -0.344437582378E+03 0.47147E-04 -0.79409E-05 3707 0.232E-02 0.673E-02 RMM: 6 -0.344437558749E+03 0.23630E-04 -0.19621E-05 2536 0.134E-02 0.454E-02 RMM: 7 -0.344437557858E+03 0.89036E-06 -0.26362E-05 2626 0.147E-02 6635 T= 5630. E= 0.67560310E+03 F= 0.61183143E+03 E0= 0.64025479E+03 EK= 0.45846E+02 SP= 0.18E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.343798437163E+03 0.63912E+00 -0.97112E-02 7792 0.224E+01 0.146E-01 RMM: 2 -0.343808373415E+03 -0.99363E-02 -0.77844E-02 4702 0.657E-01 0.663E-01 RMM: 3 -0.343805120878E+03 0.32525E-02 -0.91821E-03 5807 0.184E-01 0.134E-01 RMM: 4 -0.343804956509E+03 0.16437E-03 -0.54099E-04 4659 0.539E-02 0.109E-01 RMM: 5 -0.343804896246E+03 0.60263E-04 -0.83821E-05 3534 0.255E-02 0.637E-02 RMM: 6 -0.343804871608E+03 0.24638E-04 -0.24084E-05 2570 0.154E-02 0.218E-02 RMM: 7 -0.343804876055E+03 -0.44465E-05 -0.10510E-05 2469 0.107E-02 6636 T= 5536. E= 0.67560559E+03 F= 0.61246411E+03 E0= 0.64092815E+03 EK= 0.45084E+02 SP= 0.18E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.343053828830E+03 0.75104E+00 -0.91758E-02 7976 0.222E+01 0.130E-01 RMM: 2 -0.343062324578E+03 -0.84957E-02 -0.62429E-02 4979 0.573E-01 0.660E-01 RMM: 3 -0.343059081655E+03 0.32429E-02 -0.66091E-03 5722 0.161E-01 0.112E-01 RMM: 4 -0.343058956827E+03 0.12483E-03 -0.37554E-04 4457 0.435E-02 0.814E-02 RMM: 5 -0.343058906383E+03 0.50443E-04 -0.45849E-05 3085 0.207E-02 0.513E-02 RMM: 6 -0.343058895396E+03 0.10987E-04 -0.17896E-05 2503 0.127E-02 6637 T= 5433. E= 0.67560940E+03 F= 0.61321009E+03 E0= 0.64170911E+03 EK= 0.44243E+02 SP= 0.18E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342239312426E+03 0.81959E+00 -0.90719E-02 7472 0.220E+01 0.186E-01 RMM: 2 -0.342252295066E+03 -0.12983E-01 -0.71282E-02 4836 0.642E-01 0.101E+00 RMM: 3 -0.342245267571E+03 0.70275E-02 -0.87173E-03 5495 0.197E-01 0.181E-01 RMM: 4 -0.342245013871E+03 0.25370E-03 -0.68307E-04 4812 0.535E-02 0.732E-02 RMM: 5 -0.342244989294E+03 0.24577E-04 -0.83821E-05 3633 0.256E-02 0.651E-02 RMM: 6 -0.342244967455E+03 0.21839E-04 -0.24959E-05 2577 0.147E-02 0.482E-02 RMM: 7 -0.342244991466E+03 -0.24011E-04 -0.38266E-05 2951 0.179E-02 0.818E-02 RMM: 8 -0.342244947655E+03 0.43812E-04 -0.44935E-05 2812 0.172E-02 0.297E-02 RMM: 9 -0.342244944790E+03 0.28650E-05 -0.14098E-05 2467 0.110E-02 6638 T= 5326. E= 0.67561326E+03 F= 0.61402404E+03 E0= 0.64255051E+03 EK= 0.43370E+02 SP= 0.18E+02 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.341410619391E+03 0.83433E+00 -0.83732E-02 7472 0.219E+01 0.175E-01 RMM: 2 -0.341418375534E+03 -0.77561E-02 -0.48009E-02 4996 0.521E-01 0.765E-01 RMM: 3 -0.341414226200E+03 0.41493E-02 -0.53109E-03 5469 0.156E-01 0.137E-01 RMM: 4 -0.341414286579E+03 -0.60379E-04 -0.65564E-04 4607 0.595E-02 0.179E-01 RMM: 5 -0.341414114757E+03 0.17182E-03 -0.14618E-04 3850 0.325E-02 0.909E-02 RMM: 6 -0.341414057247E+03 0.57511E-04 -0.33462E-05 2931 0.184E-02 0.184E-02 RMM: 7 -0.341414065076E+03 -0.78293E-05 -0.14559E-05 2503 0.112E-02 6639 T= 5221. E= 0.67561705E+03 F= 0.61485492E+03 E0= 0.64340099E+03 EK= 0.42518E+02 SP= 0.18E+02 SK= 0.82E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.340609831845E+03 0.80423E+00 -0.85175E-02 7600 0.216E+01 0.156E-01 RMM: 2 -0.340619702289E+03 -0.98704E-02 -0.61107E-02 4877 0.603E-01 0.829E-01 RMM: 3 -0.340615015319E+03 0.46870E-02 -0.73358E-03 5579 0.172E-01 0.145E-01 RMM: 4 -0.340614818271E+03 0.19705E-03 -0.47595E-04 4527 0.473E-02 0.583E-02 RMM: 5 -0.340614805931E+03 0.12340E-04 -0.60973E-05 3319 0.228E-02 6640 T= 5125. E= 0.67562127E+03 F= 0.61565418E+03 E0= 0.64421104E+03 EK= 0.41737E+02 SP= 0.18E+02 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.339885969996E+03 0.72885E+00 -0.80548E-02 7712 0.214E+01 0.106E-01 RMM: 2 -0.339891468226E+03 -0.54982E-02 -0.49712E-02 5020 0.539E-01 0.425E-01 RMM: 3 -0.339890295329E+03 0.11729E-02 -0.53520E-03 5898 0.129E-01 0.924E-02 RMM: 4 -0.339890179981E+03 0.11535E-03 -0.25676E-04 4184 0.415E-02 0.707E-02 RMM: 5 -0.339890145941E+03 0.34040E-04 -0.32200E-05 2709 0.187E-02 0.507E-02 RMM: 6 -0.339890146501E+03 -0.55967E-06 -0.25767E-05 2594 0.145E-02 6641 T= 5043. E= 0.67562459E+03 F= 0.61637884E+03 E0= 0.64493667E+03 EK= 0.41071E+02 SP= 0.18E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339273461934E+03 0.61668E+00 -0.81249E-02 7632 0.212E+01 0.236E-01 RMM: 2 -0.339290877394E+03 -0.17415E-01 -0.59031E-02 4885 0.592E-01 0.137E+00 RMM: 3 -0.339277886014E+03 0.12991E-01 -0.83734E-03 5401 0.210E-01 0.194E-01 RMM: 4 -0.339277675285E+03 0.21073E-03 -0.89746E-04 4706 0.605E-02 0.101E-01 RMM: 5 -0.339277658714E+03 0.16571E-04 -0.12082E-04 3815 0.270E-02 6642 T= 4981. E= 0.67562756E+03 F= 0.61699133E+03 E0= 0.64554086E+03 EK= 0.40559E+02 SP= 0.18E+02 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338806529616E+03 0.47115E+00 -0.78172E-02 7616 0.211E+01 0.201E-01 RMM: 2 -0.338820816103E+03 -0.14286E-01 -0.57213E-02 5216 0.574E-01 0.119E+00 RMM: 3 -0.338810956779E+03 0.98593E-02 -0.67515E-03 5425 0.188E-01 0.206E-01 RMM: 4 -0.338810669922E+03 0.28686E-03 -0.72187E-04 4688 0.558E-02 0.749E-02 RMM: 5 -0.338810629124E+03 0.40798E-04 -0.83753E-05 3690 0.233E-02 0.718E-02 RMM: 6 -0.338810603011E+03 0.26113E-04 -0.22324E-05 2555 0.145E-02 0.457E-02 RMM: 7 -0.338810608063E+03 -0.50518E-05 -0.28081E-05 2618 0.144E-02 6643 T= 4941. E= 0.67563034E+03 F= 0.61745838E+03 E0= 0.64599083E+03 EK= 0.40235E+02 SP= 0.18E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338512498840E+03 0.29810E+00 -0.81972E-02 7864 0.210E+01 0.172E-01 RMM: 2 -0.338522278382E+03 -0.97795E-02 -0.55460E-02 4956 0.560E-01 0.874E-01 RMM: 3 -0.338516959934E+03 0.53184E-02 -0.64902E-03 5533 0.169E-01 0.148E-01 RMM: 4 -0.338516827390E+03 0.13254E-03 -0.53958E-04 4512 0.490E-02 0.917E-02 RMM: 5 -0.338516787025E+03 0.40366E-04 -0.73268E-05 3515 0.226E-02 0.634E-02 RMM: 6 -0.338516762084E+03 0.24941E-04 -0.20996E-05 2547 0.143E-02 0.187E-02 RMM: 7 -0.338516764771E+03 -0.26873E-05 -0.80736E-06 2466 0.886E-03 6644 T= 4928. E= 0.67563193E+03 F= 0.61775222E+03 E0= 0.64626020E+03 EK= 0.40128E+02 SP= 0.18E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338411188165E+03 0.10557E+00 -0.77743E-02 7912 0.209E+01 0.128E-01 RMM: 2 -0.338417207477E+03 -0.60193E-02 -0.49614E-02 5301 0.517E-01 0.546E-01 RMM: 3 -0.338415145580E+03 0.20619E-02 -0.45941E-03 5903 0.127E-01 0.114E-01 RMM: 4 -0.338415013011E+03 0.13257E-03 -0.27019E-04 4034 0.389E-02 0.865E-02 RMM: 5 -0.338414951776E+03 0.61235E-04 -0.44743E-05 3100 0.206E-02 0.492E-02 RMM: 6 -0.338414942071E+03 0.97058E-05 -0.16039E-05 2502 0.117E-02 6645 T= 4944. E= 0.67563222E+03 F= 0.61785405E+03 E0= 0.64633057E+03 EK= 0.40258E+02 SP= 0.17E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338507632483E+03 -0.92681E-01 -0.77065E-02 7808 0.210E+01 0.157E-01 RMM: 2 -0.338516627572E+03 -0.89951E-02 -0.46608E-02 5224 0.510E-01 0.874E-01 RMM: 3 -0.338511264718E+03 0.53629E-02 -0.49397E-03 5512 0.151E-01 0.144E-01 RMM: 4 -0.338511116614E+03 0.14810E-03 -0.41193E-04 4192 0.418E-02 0.635E-02 RMM: 5 -0.338511090153E+03 0.26461E-04 -0.43140E-05 2940 0.189E-02 0.578E-02 RMM: 6 -0.338511076605E+03 0.13548E-04 -0.23219E-05 2522 0.149E-02 6646 T= 4989. E= 0.67563101E+03 F= 0.61775791E+03 E0= 0.64619754E+03 EK= 0.40631E+02 SP= 0.17E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338792542800E+03 -0.28145E+00 -0.79215E-02 8072 0.211E+01 0.300E-01 RMM: 2 -0.338813904160E+03 -0.21361E-01 -0.56115E-02 5220 0.584E-01 0.161E+00 RMM: 3 -0.338796311207E+03 0.17593E-01 -0.97854E-03 5362 0.247E-01 0.307E-01 RMM: 4 -0.338795612915E+03 0.69829E-03 -0.11927E-03 4629 0.737E-02 0.722E-02 RMM: 5 -0.338795623308E+03 -0.10393E-04 -0.15388E-04 3879 0.299E-02 6647 T= 5064. E= 0.67562894E+03 F= 0.61747337E+03 E0= 0.64587178E+03 EK= 0.41240E+02 SP= 0.17E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339239711260E+03 -0.44410E+00 -0.82230E-02 7760 0.214E+01 0.215E-01 RMM: 2 -0.339253849480E+03 -0.14138E-01 -0.53614E-02 5226 0.540E-01 0.119E+00 RMM: 3 -0.339243998630E+03 0.98508E-02 -0.70606E-03 5384 0.197E-01 0.236E-01 RMM: 4 -0.339243604546E+03 0.39408E-03 -0.80205E-04 4643 0.586E-02 0.794E-02 RMM: 5 -0.339243568274E+03 0.36273E-04 -0.92441E-05 3763 0.245E-02 0.670E-02 RMM: 6 -0.339243539203E+03 0.29070E-04 -0.19741E-05 2548 0.137E-02 0.388E-02 RMM: 7 -0.339243541303E+03 -0.20996E-05 -0.16549E-05 2514 0.118E-02 6648 T= 5165. E= 0.67562588E+03 F= 0.61702545E+03 E0= 0.64537969E+03 EK= 0.42061E+02 SP= 0.16E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339813217709E+03 -0.56968E+00 -0.85755E-02 7744 0.217E+01 0.209E-01 RMM: 2 -0.339824865207E+03 -0.11647E-01 -0.62325E-02 4972 0.612E-01 0.101E+00 RMM: 3 -0.339817997227E+03 0.68680E-02 -0.73844E-03 5469 0.189E-01 0.178E-01 RMM: 4 -0.339817804952E+03 0.19227E-03 -0.69721E-04 4688 0.559E-02 0.989E-02 RMM: 5 -0.339817783559E+03 0.21393E-04 -0.11425E-04 3771 0.268E-02 0.883E-02 RMM: 6 -0.339817732076E+03 0.51483E-04 -0.34941E-05 3019 0.183E-02 0.190E-02 RMM: 7 -0.339817733888E+03 -0.18114E-05 -0.99032E-06 2474 0.973E-03 6649 T= 5287. E= 0.67562250E+03 F= 0.61645126E+03 E0= 0.64475995E+03 EK= 0.43056E+02 SP= 0.16E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340471796683E+03 -0.65406E+00 -0.87588E-02 7704 0.220E+01 0.159E-01 RMM: 2 -0.340480666059E+03 -0.88694E-02 -0.67357E-02 5092 0.627E-01 0.698E-01 RMM: 3 -0.340477422922E+03 0.32431E-02 -0.74786E-03 5767 0.167E-01 0.119E-01 RMM: 4 -0.340477274217E+03 0.14870E-03 -0.46112E-04 4380 0.473E-02 0.109E-01 RMM: 5 -0.340477187618E+03 0.86599E-04 -0.75070E-05 3529 0.250E-02 0.514E-02 RMM: 6 -0.340477172432E+03 0.15185E-04 -0.18480E-05 2526 0.124E-02 6650 T= 5426. E= 0.67561940E+03 F= 0.61579182E+03 E0= 0.64405545E+03 EK= 0.44186E+02 SP= 0.15E+02 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341178459939E+03 -0.70127E+00 -0.93106E-02 7736 0.223E+01 0.161E-01 RMM: 2 -0.341189774254E+03 -0.11314E-01 -0.71302E-02 4908 0.638E-01 0.869E-01 RMM: 3 -0.341184559568E+03 0.52147E-02 -0.83900E-03 5584 0.186E-01 0.167E-01 RMM: 4 -0.341184315796E+03 0.24377E-03 -0.56338E-04 4647 0.499E-02 0.658E-02 RMM: 5 -0.341184284287E+03 0.31509E-04 -0.68494E-05 3446 0.230E-02 0.582E-02 RMM: 6 -0.341184266903E+03 0.17384E-04 -0.20822E-05 2525 0.136E-02 6651 T= 5577. E= 0.67561718E+03 F= 0.61508472E+03 E0= 0.64330734E+03 EK= 0.45412E+02 SP= 0.14E+02 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341905807656E+03 -0.72152E+00 -0.93847E-02 7728 0.227E+01 0.338E-01 RMM: 2 -0.341934231392E+03 -0.28424E-01 -0.76395E-02 5033 0.706E-01 0.183E+00 RMM: 3 -0.341910975935E+03 0.23255E-01 -0.12746E-02 5370 0.281E-01 0.297E-01 RMM: 4 -0.341910329722E+03 0.64621E-03 -0.15328E-03 4692 0.809E-02 0.931E-02 RMM: 5 -0.341910319698E+03 0.10025E-04 -0.18813E-04 3893 0.330E-02 6652 T= 5735. E= 0.67561587E+03 F= 0.61435867E+03 E0= 0.64254639E+03 EK= 0.46703E+02 SP= 0.14E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342625569285E+03 -0.71524E+00 -0.96206E-02 7464 0.230E+01 0.185E-01 RMM: 2 -0.342640580972E+03 -0.15012E-01 -0.79696E-02 4944 0.656E-01 0.104E+00 RMM: 3 -0.342632521757E+03 0.80592E-02 -0.96817E-03 5411 0.215E-01 0.203E-01 RMM: 4 -0.342632255817E+03 0.26594E-03 -0.88672E-04 4759 0.603E-02 0.973E-02 RMM: 5 -0.342632196035E+03 0.59782E-04 -0.10456E-04 3810 0.276E-02 0.666E-02 RMM: 6 -0.342632172355E+03 0.23680E-04 -0.23500E-05 2550 0.143E-02 0.478E-02 RMM: 7 -0.342632175505E+03 -0.31500E-05 -0.27330E-05 2645 0.149E-02 6653 T= 5898. E= 0.67561519E+03 F= 0.61363681E+03 E0= 0.64179910E+03 EK= 0.48033E+02 SP= 0.13E+02 SK= 0.96E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343325197158E+03 -0.69302E+00 -0.10039E-01 7536 0.233E+01 0.224E-01 RMM: 2 -0.343339942195E+03 -0.14745E-01 -0.82374E-02 4837 0.704E-01 0.108E+00 RMM: 3 -0.343331909359E+03 0.80328E-02 -0.10073E-02 5517 0.212E-01 0.196E-01 RMM: 4 -0.343331661615E+03 0.24774E-03 -0.89877E-04 4697 0.652E-02 0.115E-01 RMM: 5 -0.343331600400E+03 0.61215E-04 -0.14244E-04 3844 0.304E-02 0.778E-02 RMM: 6 -0.343331561612E+03 0.38788E-04 -0.36367E-05 2983 0.184E-02 0.223E-02 RMM: 7 -0.343331567610E+03 -0.59986E-05 -0.14625E-05 2495 0.123E-02 6654 T= 6064. E= 0.67561402E+03 F= 0.61293742E+03 E0= 0.64108616E+03 EK= 0.49378E+02 SP= 0.12E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.343978478528E+03 -0.64692E+00 -0.10425E-01 7816 0.235E+01 0.153E-01 RMM: 2 -0.343989637280E+03 -0.11159E-01 -0.90007E-02 4892 0.727E-01 0.699E-01 RMM: 3 -0.343986435568E+03 0.32017E-02 -0.10699E-02 5921 0.188E-01 0.123E-01 RMM: 4 -0.343986227462E+03 0.20811E-03 -0.53595E-04 4563 0.549E-02 0.997E-02 RMM: 5 -0.343986140241E+03 0.87221E-04 -0.81970E-05 3540 0.262E-02 0.484E-02 RMM: 6 -0.343986132163E+03 0.80784E-05 -0.20160E-05 2521 0.124E-02 6655 T= 6227. E= 0.67561220E+03 F= 0.61228286E+03 E0= 0.64042980E+03 EK= 0.50712E+02 SP= 0.12E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344554099484E+03 -0.56796E+00 -0.10410E-01 7680 0.238E+01 0.125E-01 RMM: 2 -0.344564617757E+03 -0.10518E-01 -0.89805E-02 4820 0.694E-01 0.576E-01 RMM: 3 -0.344562100540E+03 0.25172E-02 -0.10129E-02 5846 0.180E-01 0.116E-01 RMM: 4 -0.344561899687E+03 0.20085E-03 -0.47931E-04 4568 0.509E-02 0.690E-02 RMM: 5 -0.344561864327E+03 0.35360E-04 -0.55956E-05 3082 0.232E-02 0.530E-02 RMM: 6 -0.344561855904E+03 0.84230E-05 -0.24988E-05 2539 0.154E-02 6656 T= 6385. E= 0.67560974E+03 F= 0.61170713E+03 E0= 0.63986508E+03 EK= 0.51993E+02 SP= 0.11E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345006970165E+03 -0.44511E+00 -0.10483E-01 7768 0.240E+01 0.283E-01 RMM: 2 -0.345030647220E+03 -0.23677E-01 -0.85795E-02 4872 0.732E-01 0.156E+00 RMM: 3 -0.345013447329E+03 0.17200E-01 -0.12148E-02 5385 0.261E-01 0.235E-01 RMM: 4 -0.345013072192E+03 0.37514E-03 -0.12681E-03 4700 0.737E-02 0.919E-02 RMM: 5 -0.345013025418E+03 0.46774E-04 -0.15520E-04 3945 0.311E-02 0.770E-02 RMM: 6 -0.345012990161E+03 0.35257E-04 -0.31905E-05 2767 0.175E-02 0.327E-02 RMM: 7 -0.345012992576E+03 -0.24156E-05 -0.15409E-05 2496 0.126E-02 6657 T= 6529. E= 0.67560685E+03 F= 0.61125600E+03 E0= 0.63943520E+03 EK= 0.53171E+02 SP= 0.10E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345279482588E+03 -0.26649E+00 -0.10528E-01 7840 0.242E+01 0.232E-01 RMM: 2 -0.345297291119E+03 -0.17809E-01 -0.72216E-02 4905 0.664E-01 0.130E+00 RMM: 3 -0.345285323394E+03 0.11968E-01 -0.97915E-03 5393 0.231E-01 0.242E-01 RMM: 4 -0.345284920492E+03 0.40290E-03 -0.10240E-03 4648 0.685E-02 0.888E-02 RMM: 5 -0.345284898386E+03 0.22106E-04 -0.14186E-04 3866 0.332E-02 0.827E-02 RMM: 6 -0.345284850112E+03 0.48274E-04 -0.32148E-05 2775 0.173E-02 0.360E-02 RMM: 7 -0.345284852145E+03 -0.20331E-05 -0.18427E-05 2511 0.137E-02 6658 T= 6654. E= 0.67560364E+03 F= 0.61098414E+03 E0= 0.63919170E+03 EK= 0.54184E+02 SP= 0.94E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345313027169E+03 -0.28177E-01 -0.10784E-01 7808 0.244E+01 0.172E-01 RMM: 2 -0.345324326227E+03 -0.11299E-01 -0.74507E-02 4855 0.665E-01 0.848E-01 RMM: 3 -0.345319286188E+03 0.50400E-02 -0.87374E-03 5523 0.196E-01 0.139E-01 RMM: 4 -0.345319141918E+03 0.14427E-03 -0.56324E-04 4724 0.516E-02 0.883E-02 RMM: 5 -0.345319086926E+03 0.54991E-04 -0.76494E-05 3571 0.256E-02 0.558E-02 RMM: 6 -0.345319071555E+03 0.15372E-04 -0.22040E-05 2535 0.141E-02 6659 T= 6750. E= 0.67560133E+03 F= 0.61094992E+03 E0= 0.63918898E+03 EK= 0.54966E+02 SP= 0.86E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.345056975717E+03 0.26211E+00 -0.10934E-01 7768 0.245E+01 0.161E-01 RMM: 2 -0.345068119641E+03 -0.11144E-01 -0.75458E-02 4850 0.661E-01 0.815E-01 RMM: 3 -0.345063375459E+03 0.47442E-02 -0.86715E-03 5613 0.192E-01 0.158E-01 RMM: 4 -0.345063166196E+03 0.20926E-03 -0.52571E-04 4651 0.510E-02 0.724E-02 RMM: 5 -0.345063127564E+03 0.38632E-04 -0.65230E-05 3433 0.237E-02 0.605E-02 RMM: 6 -0.345063112578E+03 0.14986E-04 -0.22509E-05 2521 0.145E-02 6660 T= 6810. E= 0.67560011E+03 F= 0.61120588E+03 E0= 0.63947566E+03 EK= 0.55458E+02 SP= 0.79E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344471767241E+03 0.59136E+00 -0.10881E-01 7856 0.245E+01 0.264E-01 RMM: 2 -0.344494816137E+03 -0.23049E-01 -0.75569E-02 4860 0.681E-01 0.157E+00 RMM: 3 -0.344477540650E+03 0.17275E-01 -0.11213E-02 5388 0.255E-01 0.227E-01 RMM: 4 -0.344477179039E+03 0.36161E-03 -0.11253E-03 4709 0.677E-02 0.747E-02 RMM: 5 -0.344477145682E+03 0.33357E-04 -0.11327E-04 3924 0.283E-02 0.675E-02 RMM: 6 -0.344477120759E+03 0.24923E-04 -0.24624E-05 2564 0.148E-02 0.425E-02 RMM: 7 -0.344477127405E+03 -0.66459E-05 -0.23327E-05 2541 0.153E-02 6661 T= 6829. E= 0.67559964E+03 F= 0.61179186E+03 E0= 0.64008904E+03 EK= 0.55612E+02 SP= 0.72E+01 SK= 0.98E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343533202343E+03 0.94392E+00 -0.11115E-01 7928 0.245E+01 0.208E-01 RMM: 2 -0.343547535013E+03 -0.14333E-01 -0.82183E-02 4798 0.686E-01 0.104E+00 RMM: 3 -0.343539853738E+03 0.76813E-02 -0.10010E-02 5463 0.223E-01 0.207E-01 RMM: 4 -0.343539590863E+03 0.26288E-03 -0.93238E-04 4658 0.667E-02 0.110E-01 RMM: 5 -0.343539554005E+03 0.36858E-04 -0.14208E-04 3857 0.326E-02 0.882E-02 RMM: 6 -0.343539500078E+03 0.53927E-04 -0.34546E-05 2923 0.181E-02 0.274E-02 RMM: 7 -0.343539501635E+03 -0.15574E-05 -0.13616E-05 2491 0.119E-02 6662 T= 6803. E= 0.67560079E+03 F= 0.61272949E+03 E0= 0.64104873E+03 EK= 0.55403E+02 SP= 0.65E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342242623211E+03 0.12969E+01 -0.11076E-01 7696 0.244E+01 0.173E-01 RMM: 2 -0.342255059778E+03 -0.12437E-01 -0.84349E-02 4850 0.683E-01 0.871E-01 RMM: 3 -0.342249698185E+03 0.53616E-02 -0.95659E-03 5648 0.200E-01 0.144E-01 RMM: 4 -0.342249503164E+03 0.19502E-03 -0.58429E-04 4763 0.523E-02 0.809E-02 RMM: 5 -0.342249458428E+03 0.44736E-04 -0.74755E-05 3504 0.248E-02 0.577E-02 RMM: 6 -0.342249439348E+03 0.19080E-04 -0.23957E-05 2545 0.148E-02 6663 T= 6733. E= 0.67560430E+03 F= 0.61401955E+03 E0= 0.64235423E+03 EK= 0.54827E+02 SP= 0.58E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340624736137E+03 0.16247E+01 -0.11266E-01 7656 0.243E+01 0.181E-01 RMM: 2 -0.340640266817E+03 -0.15531E-01 -0.95203E-02 4852 0.725E-01 0.101E+00 RMM: 3 -0.340632889806E+03 0.73770E-02 -0.11082E-02 5562 0.214E-01 0.167E-01 RMM: 4 -0.340632625425E+03 0.26438E-03 -0.71834E-04 4903 0.554E-02 0.687E-02 RMM: 5 -0.340632591295E+03 0.34130E-04 -0.75149E-05 3554 0.246E-02 0.594E-02 RMM: 6 -0.340632575288E+03 0.16007E-04 -0.21081E-05 2522 0.136E-02 6664 T= 6620. E= 0.67560960E+03 F= 0.61563641E+03 E0= 0.64398173E+03 EK= 0.53907E+02 SP= 0.52E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338738601104E+03 0.18940E+01 -0.10852E-01 7624 0.241E+01 0.310E-01 RMM: 2 -0.338765954392E+03 -0.27353E-01 -0.97080E-02 4904 0.757E-01 0.169E+00 RMM: 3 -0.338746061140E+03 0.19893E-01 -0.13987E-02 5391 0.281E-01 0.304E-01 RMM: 4 -0.338745374350E+03 0.68679E-03 -0.15137E-03 4759 0.799E-02 0.777E-02 RMM: 5 -0.338745363983E+03 0.10367E-04 -0.16880E-04 3957 0.313E-02 6665 T= 6472. E= 0.67561773E+03 F= 0.61752363E+03 E0= 0.64587613E+03 EK= 0.52701E+02 SP= 0.45E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336667781643E+03 0.20776E+01 -0.10511E-01 7624 0.237E+01 0.213E-01 RMM: 2 -0.336683986022E+03 -0.16204E-01 -0.97830E-02 4988 0.713E-01 0.103E+00 RMM: 3 -0.336676288363E+03 0.76977E-02 -0.11618E-02 5453 0.230E-01 0.233E-01 RMM: 4 -0.336675892893E+03 0.39547E-03 -0.97722E-04 4899 0.620E-02 0.888E-02 RMM: 5 -0.336675838183E+03 0.54711E-04 -0.10243E-04 3795 0.274E-02 0.694E-02 RMM: 6 -0.336675816700E+03 0.21482E-04 -0.22807E-05 2544 0.138E-02 0.564E-02 RMM: 7 -0.336675824678E+03 -0.79773E-05 -0.42163E-05 2876 0.170E-02 6666 T= 6300. E= 0.67562805E+03 F= 0.61959316E+03 E0= 0.64795131E+03 EK= 0.51300E+02 SP= 0.38E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334532289075E+03 0.21435E+01 -0.10970E-01 7576 0.234E+01 0.250E-01 RMM: 2 -0.334548820715E+03 -0.16532E-01 -0.10844E-01 4799 0.795E-01 0.106E+00 RMM: 3 -0.334541055925E+03 0.77648E-02 -0.12939E-02 5566 0.235E-01 0.197E-01 RMM: 4 -0.334540843841E+03 0.21208E-03 -0.10725E-03 4745 0.713E-02 0.161E-01 RMM: 5 -0.334540737406E+03 0.10644E-03 -0.20610E-04 3880 0.373E-02 0.108E-01 RMM: 6 -0.334540663115E+03 0.74292E-04 -0.66838E-05 3428 0.240E-02 0.292E-02 RMM: 7 -0.334540672188E+03 -0.90736E-05 -0.17536E-05 2527 0.130E-02 6667 T= 6118. E= 0.67563900E+03 F= 0.62172832E+03 E0= 0.65009185E+03 EK= 0.49822E+02 SP= 0.31E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332465310788E+03 0.20754E+01 -0.10507E-01 7704 0.230E+01 0.171E-01 RMM: 2 -0.332478251084E+03 -0.12940E-01 -0.10463E-01 4948 0.761E-01 0.744E-01 RMM: 3 -0.332474468185E+03 0.37829E-02 -0.11914E-02 5865 0.201E-01 0.150E-01 RMM: 4 -0.332474171222E+03 0.29696E-03 -0.58291E-04 4718 0.550E-02 0.106E-01 RMM: 5 -0.332474076357E+03 0.94866E-04 -0.92040E-05 3657 0.267E-02 0.602E-02 RMM: 6 -0.332474060349E+03 0.16008E-04 -0.22539E-05 2537 0.137E-02 6668 T= 5945. E= 0.67565038E+03 F= 0.62379493E+03 E0= 0.65216646E+03 EK= 0.48409E+02 SP= 0.25E+01 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330604542135E+03 0.18695E+01 -0.10742E-01 7584 0.226E+01 0.179E-01 RMM: 2 -0.330621386037E+03 -0.16844E-01 -0.12139E-01 4770 0.817E-01 0.925E-01 RMM: 3 -0.330615263490E+03 0.61225E-02 -0.14087E-02 5766 0.221E-01 0.180E-01 RMM: 4 -0.330614882320E+03 0.38117E-03 -0.75570E-04 4877 0.602E-02 0.764E-02 RMM: 5 -0.330614852878E+03 0.29442E-04 -0.10963E-04 3865 0.276E-02 0.720E-02 RMM: 6 -0.330614825814E+03 0.27064E-04 -0.33926E-05 2761 0.171E-02 0.548E-02 RMM: 7 -0.330614859509E+03 -0.33695E-04 -0.64926E-05 3510 0.220E-02 0.951E-02 RMM: 8 -0.330614801767E+03 0.57741E-04 -0.45557E-05 3018 0.187E-02 0.338E-02 RMM: 9 -0.330614797447E+03 0.43205E-05 -0.15216E-05 2482 0.114E-02 6669 T= 5796. E= 0.67565983E+03 F= 0.62565419E+03 E0= 0.65403392E+03 EK= 0.47203E+02 SP= 0.17E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329076339800E+03 0.15385E+01 -0.97649E-02 7640 0.223E+01 0.248E-01 RMM: 2 -0.329093314509E+03 -0.16975E-01 -0.99879E-02 4841 0.764E-01 0.114E+00 RMM: 3 -0.329084195449E+03 0.91191E-02 -0.11709E-02 5544 0.221E-01 0.183E-01 RMM: 4 -0.329084150438E+03 0.45011E-04 -0.12246E-03 4793 0.812E-02 0.205E-01 RMM: 5 -0.329083957877E+03 0.19256E-03 -0.24782E-04 3888 0.394E-02 0.127E-01 RMM: 6 -0.329083848151E+03 0.10973E-03 -0.68692E-05 3461 0.244E-02 0.274E-02 RMM: 7 -0.329083854411E+03 -0.62601E-05 -0.19582E-05 2528 0.133E-02 6670 T= 5690. E= 0.67566673E+03 F= 0.62718513E+03 E0= 0.65557528E+03 EK= 0.46333E+02 SP= 0.10E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327958862439E+03 0.11250E+01 -0.92118E-02 7616 0.221E+01 0.171E-01 RMM: 2 -0.327971209610E+03 -0.12347E-01 -0.83266E-02 4976 0.681E-01 0.872E-01 RMM: 3 -0.327965953768E+03 0.52558E-02 -0.95327E-03 5695 0.192E-01 0.168E-01 RMM: 4 -0.327965672388E+03 0.28138E-03 -0.58962E-04 4801 0.512E-02 0.562E-02 RMM: 5 -0.327965657062E+03 0.15326E-04 -0.70101E-05 3480 0.222E-02 6671 T= 5635. E= 0.67567059E+03 F= 0.62830333E+03 E0= 0.65670381E+03 EK= 0.45891E+02 SP= 0.23E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327287621689E+03 0.67805E+00 -0.95916E-02 7888 0.221E+01 0.107E-01 RMM: 2 -0.327297124723E+03 -0.95030E-02 -0.87793E-02 4906 0.673E-01 0.454E-01 RMM: 3 -0.327295428964E+03 0.16958E-02 -0.94331E-03 6158 0.169E-01 0.102E-01 RMM: 4 -0.327295220596E+03 0.20837E-03 -0.32043E-04 4534 0.425E-02 0.766E-02 RMM: 5 -0.327295189465E+03 0.31130E-04 -0.35334E-05 2714 0.193E-02 0.642E-02 RMM: 6 -0.327295191081E+03 -0.16153E-05 -0.33194E-05 2853 0.173E-02 6672 T= 5639. E= 0.67567051E+03 F= 0.62897380E+03 E0= 0.65738223E+03 EK= 0.45917E+02 SP= -.57E+00 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327052331630E+03 0.24286E+00 -0.94357E-02 8024 0.222E+01 0.261E-01 RMM: 2 -0.327071718568E+03 -0.19387E-01 -0.84336E-02 4927 0.678E-01 0.136E+00 RMM: 3 -0.327058773892E+03 0.12945E-01 -0.10652E-02 5422 0.232E-01 0.231E-01 RMM: 4 -0.327058423870E+03 0.35002E-03 -0.11814E-03 4669 0.725E-02 0.113E-01 RMM: 5 -0.327058408622E+03 0.15248E-04 -0.18498E-04 3889 0.325E-02 6673 T= 5699. E= 0.67566811E+03 F= 0.62921058E+03 E0= 0.65762292E+03 EK= 0.46409E+02 SP= -.14E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327192214851E+03 -0.13379E+00 -0.10295E-01 8152 0.224E+01 0.217E-01 RMM: 2 -0.327214202719E+03 -0.21988E-01 -0.10888E-01 5071 0.736E-01 0.133E+00 RMM: 3 -0.327201433731E+03 0.12769E-01 -0.12244E-02 5472 0.231E-01 0.183E-01 RMM: 4 -0.327201166579E+03 0.26715E-03 -0.10942E-03 4875 0.657E-02 0.109E-01 RMM: 5 -0.327201086673E+03 0.79906E-04 -0.12713E-04 3917 0.277E-02 0.752E-02 RMM: 6 -0.327201060281E+03 0.26392E-04 -0.26116E-05 2599 0.151E-02 0.591E-02 RMM: 7 -0.327201060295E+03 -0.14030E-07 -0.47120E-05 3059 0.188E-02 6674 T= 5810. E= 0.67566322E+03 F= 0.62906793E+03 E0= 0.65747720E+03 EK= 0.47315E+02 SP= -.23E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327625190226E+03 -0.42413E+00 -0.12100E-01 8032 0.227E+01 0.215E-01 RMM: 2 -0.327644823988E+03 -0.19634E-01 -0.13655E-01 4836 0.838E-01 0.106E+00 RMM: 3 -0.327637013835E+03 0.78102E-02 -0.15791E-02 5791 0.235E-01 0.203E-01 RMM: 4 -0.327636550585E+03 0.46325E-03 -0.99322E-04 4815 0.687E-02 0.105E-01 RMM: 5 -0.327636489222E+03 0.61364E-04 -0.14104E-04 3936 0.285E-02 0.689E-02 RMM: 6 -0.327636461221E+03 0.28000E-04 -0.26464E-05 2695 0.156E-02 0.311E-02 RMM: 7 -0.327636463196E+03 -0.19751E-05 -0.13353E-05 2507 0.115E-02 6675 T= 5962. E= 0.67565617E+03 F= 0.62863253E+03 E0= 0.65703087E+03 EK= 0.48553E+02 SP= -.32E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328247652754E+03 -0.61119E+00 -0.12378E-01 8184 0.231E+01 0.171E-01 RMM: 2 -0.328264312205E+03 -0.16659E-01 -0.14050E-01 4947 0.828E-01 0.753E-01 RMM: 3 -0.328260250284E+03 0.40619E-02 -0.16221E-02 6096 0.220E-01 0.150E-01 RMM: 4 -0.328259844958E+03 0.40533E-03 -0.68222E-04 4644 0.597E-02 0.116E-01 RMM: 5 -0.328259743745E+03 0.10121E-03 -0.10737E-04 3659 0.276E-02 0.621E-02 RMM: 6 -0.328259730299E+03 0.13446E-04 -0.22487E-05 2551 0.135E-02 6676 T= 6142. E= 0.67564836E+03 F= 0.62800926E+03 E0= 0.65638793E+03 EK= 0.50020E+02 SP= -.41E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328943199879E+03 -0.68346E+00 -0.13509E-01 8120 0.235E+01 0.154E-01 RMM: 2 -0.328962122049E+03 -0.18922E-01 -0.15681E-01 4931 0.859E-01 0.791E-01 RMM: 3 -0.328957290785E+03 0.48313E-02 -0.17056E-02 6022 0.227E-01 0.157E-01 RMM: 4 -0.328956840775E+03 0.45001E-03 -0.69294E-04 4840 0.575E-02 0.878E-02 RMM: 5 -0.328956789667E+03 0.51107E-04 -0.88079E-05 3665 0.249E-02 0.681E-02 RMM: 6 -0.328956780928E+03 0.87389E-05 -0.26378E-05 2568 0.151E-02 6677 T= 6337. E= 0.67564073E+03 F= 0.62731221E+03 E0= 0.65566571E+03 EK= 0.51601E+02 SP= -.50E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329601807048E+03 -0.64502E+00 -0.13329E-01 8456 0.238E+01 0.369E-01 RMM: 2 -0.329643978957E+03 -0.42172E-01 -0.15454E-01 4995 0.897E-01 0.208E+00 RMM: 3 -0.329613911354E+03 0.30068E-01 -0.20293E-02 5428 0.326E-01 0.329E-01 RMM: 4 -0.329613099030E+03 0.81232E-03 -0.22784E-03 5002 0.976E-02 0.107E-01 RMM: 5 -0.329613071126E+03 0.27904E-04 -0.27073E-04 3984 0.365E-02 0.106E-01 RMM: 6 -0.329613000876E+03 0.70250E-04 -0.53517E-05 3249 0.213E-02 0.443E-02 RMM: 7 -0.329613002026E+03 -0.11498E-05 -0.20431E-05 2522 0.136E-02 6678 T= 6530. E= 0.67563382E+03 F= 0.62665599E+03 E0= 0.65498078E+03 EK= 0.53175E+02 SP= -.60E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330108704627E+03 -0.49570E+00 -0.13657E-01 8752 0.242E+01 0.275E-01 RMM: 2 -0.330137453254E+03 -0.28749E-01 -0.14762E-01 5082 0.830E-01 0.150E+00 RMM: 3 -0.330121075471E+03 0.16378E-01 -0.16157E-02 5440 0.277E-01 0.311E-01 RMM: 4 -0.330120400709E+03 0.67476E-03 -0.17358E-03 4882 0.868E-02 0.112E-01 RMM: 5 -0.330120363685E+03 0.37024E-04 -0.23310E-04 3921 0.373E-02 0.107E-01 RMM: 6 -0.330120287043E+03 0.76642E-04 -0.52869E-05 3252 0.209E-02 0.411E-02 RMM: 7 -0.330120290459E+03 -0.34159E-05 -0.24100E-05 2563 0.146E-02 6679 T= 6708. E= 0.67562797E+03 F= 0.62614870E+03 E0= 0.65444365E+03 EK= 0.54627E+02 SP= -.69E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330373104453E+03 -0.25282E+00 -0.14302E-01 8592 0.245E+01 0.219E-01 RMM: 2 -0.330395793181E+03 -0.22689E-01 -0.14917E-01 5013 0.851E-01 0.116E+00 RMM: 3 -0.330385861908E+03 0.99313E-02 -0.14848E-02 5711 0.244E-01 0.201E-01 RMM: 4 -0.330385443587E+03 0.41832E-03 -0.10091E-03 4856 0.674E-02 0.920E-02 RMM: 5 -0.330385403229E+03 0.40357E-04 -0.13761E-04 3896 0.300E-02 0.753E-02 RMM: 6 -0.330385369440E+03 0.33789E-04 -0.30068E-05 2715 0.165E-02 0.420E-02 RMM: 7 -0.330385372667E+03 -0.32266E-05 -0.21349E-05 2535 0.141E-02 6680 T= 6859. E= 0.67562331E+03 F= 0.62588362E+03 E0= 0.65415198E+03 EK= 0.55854E+02 SP= -.78E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330324643807E+03 0.60726E-01 -0.14419E-01 8864 0.248E+01 0.166E-01 RMM: 2 -0.330341122044E+03 -0.16478E-01 -0.13638E-01 5033 0.812E-01 0.757E-01 RMM: 3 -0.330336478691E+03 0.46434E-02 -0.13168E-02 6083 0.212E-01 0.139E-01 RMM: 4 -0.330336176756E+03 0.30194E-03 -0.63844E-04 4674 0.589E-02 0.111E-01 RMM: 5 -0.330336093316E+03 0.83440E-04 -0.10521E-04 3673 0.286E-02 0.536E-02 RMM: 6 -0.330336081079E+03 0.12236E-04 -0.23005E-05 2558 0.140E-02 6681 T= 6972. E= 0.67562096E+03 F= 0.62593291E+03 E0= 0.65417939E+03 EK= 0.56772E+02 SP= -.87E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329919987356E+03 0.41611E+00 -0.14240E-01 8672 0.250E+01 0.159E-01 RMM: 2 -0.329936476181E+03 -0.16489E-01 -0.13060E-01 5110 0.788E-01 0.785E-01 RMM: 3 -0.329931338299E+03 0.51379E-02 -0.12215E-02 5852 0.214E-01 0.160E-01 RMM: 4 -0.329931031854E+03 0.30644E-03 -0.63124E-04 4720 0.556E-02 0.839E-02 RMM: 5 -0.329930984566E+03 0.47288E-04 -0.82493E-05 3642 0.249E-02 0.630E-02 RMM: 6 -0.329930971831E+03 0.12735E-04 -0.23498E-05 2549 0.145E-02 6682 T= 7040. E= 0.67562079E+03 F= 0.62633802E+03 E0= 0.65457011E+03 EK= 0.57330E+02 SP= -.96E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329154153095E+03 0.77683E+00 -0.13709E-01 8560 0.251E+01 0.289E-01 RMM: 2 -0.329185098866E+03 -0.30946E-01 -0.12862E-01 4825 0.832E-01 0.169E+00 RMM: 3 -0.329164719998E+03 0.20379E-01 -0.16564E-02 5442 0.291E-01 0.263E-01 RMM: 4 -0.329164178039E+03 0.54196E-03 -0.15932E-03 4897 0.809E-02 0.852E-02 RMM: 5 -0.329164146211E+03 0.31829E-04 -0.17637E-04 4289 0.305E-02 0.777E-02 RMM: 6 -0.329164113522E+03 0.32689E-04 -0.29527E-05 2737 0.162E-02 0.498E-02 RMM: 7 -0.329164129987E+03 -0.16466E-04 -0.30327E-05 2640 0.170E-02 6683 T= 7063. E= 0.67562341E+03 F= 0.62710486E+03 E0= 0.65533055E+03 EK= 0.57513E+02 SP= -.10E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328060028937E+03 0.11041E+01 -0.13513E-01 8232 0.252E+01 0.288E-01 RMM: 2 -0.328087546935E+03 -0.27518E-01 -0.13631E-01 4777 0.860E-01 0.150E+00 RMM: 3 -0.328071400682E+03 0.16146E-01 -0.17397E-02 5444 0.293E-01 0.298E-01 RMM: 4 -0.328070757209E+03 0.64347E-03 -0.17952E-03 5137 0.901E-02 0.113E-01 RMM: 5 -0.328070765384E+03 -0.81749E-05 -0.25172E-04 3943 0.368E-02 0.126E-01 RMM: 6 -0.328070661162E+03 0.10422E-03 -0.66929E-05 3409 0.237E-02 0.405E-02 RMM: 7 -0.328070660334E+03 0.82870E-06 -0.18422E-05 2529 0.126E-02 6684 T= 7042. E= 0.67562925E+03 F= 0.62819833E+03 E0= 0.65642515E+03 EK= 0.57350E+02 SP= -.11E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326713003607E+03 0.13577E+01 -0.13845E-01 7888 0.251E+01 0.256E-01 RMM: 2 -0.326737415323E+03 -0.24412E-01 -0.14122E-01 4805 0.876E-01 0.130E+00 RMM: 3 -0.326725017039E+03 0.12398E-01 -0.16892E-02 5504 0.277E-01 0.234E-01 RMM: 4 -0.326724563055E+03 0.45398E-03 -0.13257E-03 5007 0.732E-02 0.964E-02 RMM: 5 -0.326724508935E+03 0.54121E-04 -0.15392E-04 3933 0.323E-02 0.790E-02 RMM: 6 -0.326724469441E+03 0.39493E-04 -0.30941E-05 2714 0.163E-02 0.480E-02 RMM: 7 -0.326724474185E+03 -0.47432E-05 -0.34263E-05 2726 0.175E-02 6685 T= 6988. E= 0.67563760E+03 F= 0.62954452E+03 E0= 0.65777897E+03 EK= 0.56909E+02 SP= -.12E+02 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325219218959E+03 0.15053E+01 -0.12867E-01 7776 0.250E+01 0.215E-01 RMM: 2 -0.325237508662E+03 -0.18290E-01 -0.12884E-01 4793 0.849E-01 0.985E-01 RMM: 3 -0.325230483945E+03 0.70247E-02 -0.15451E-02 5678 0.249E-01 0.209E-01 RMM: 4 -0.325230057795E+03 0.42615E-03 -0.97751E-04 4858 0.680E-02 0.954E-02 RMM: 5 -0.325230026387E+03 0.31409E-04 -0.14246E-04 3884 0.325E-02 0.814E-02 RMM: 6 -0.325229984746E+03 0.41640E-04 -0.35898E-05 2954 0.176E-02 0.402E-02 RMM: 7 -0.325229987037E+03 -0.22905E-05 -0.19667E-05 2519 0.144E-02 6686 T= 6913. E= 0.67564648E+03 F= 0.63103900E+03 E0= 0.65928738E+03 EK= 0.56292E+02 SP= -.13E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323689656222E+03 0.15403E+01 -0.13004E-01 7664 0.248E+01 0.200E-01 RMM: 2 -0.323708032785E+03 -0.18377E-01 -0.14248E-01 4747 0.895E-01 0.890E-01 RMM: 3 -0.323702126878E+03 0.59059E-02 -0.16656E-02 5781 0.251E-01 0.173E-01 RMM: 4 -0.323701778401E+03 0.34848E-03 -0.92051E-04 4917 0.666E-02 0.108E-01 RMM: 5 -0.323701716324E+03 0.62077E-04 -0.13256E-04 3901 0.303E-02 0.803E-02 RMM: 6 -0.323701675134E+03 0.41190E-04 -0.32351E-05 2764 0.171E-02 0.395E-02 RMM: 7 -0.323701677481E+03 -0.23470E-05 -0.25959E-05 2565 0.156E-02 6687 T= 6829. E= 0.67565437E+03 F= 0.63256731E+03 E0= 0.66083438E+03 EK= 0.55613E+02 SP= -.14E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322231046111E+03 0.14706E+01 -0.12048E-01 7728 0.247E+01 0.203E-01 RMM: 2 -0.322248446292E+03 -0.17400E-01 -0.12011E-01 4769 0.840E-01 0.992E-01 RMM: 3 -0.322241552213E+03 0.68941E-02 -0.14329E-02 5714 0.234E-01 0.191E-01 RMM: 4 -0.322241170754E+03 0.38146E-03 -0.87058E-04 4788 0.666E-02 0.892E-02 RMM: 5 -0.322241146156E+03 0.24598E-04 -0.12872E-04 3825 0.299E-02 0.790E-02 RMM: 6 -0.322241109607E+03 0.36550E-04 -0.31508E-05 2810 0.168E-02 0.378E-02 RMM: 7 -0.322241114164E+03 -0.45574E-05 -0.18448E-05 2511 0.137E-02 6688 T= 6751. E= 0.67566044E+03 F= 0.63402788E+03 E0= 0.66231770E+03 EK= 0.54978E+02 SP= -.15E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320912867933E+03 0.13282E+01 -0.11842E-01 7704 0.245E+01 0.166E-01 RMM: 2 -0.320926413788E+03 -0.13546E-01 -0.10957E-01 4832 0.788E-01 0.739E-01 RMM: 3 -0.320922441336E+03 0.39725E-02 -0.12554E-02 5755 0.213E-01 0.128E-01 RMM: 4 -0.320922260330E+03 0.18101E-03 -0.63952E-04 4755 0.571E-02 0.114E-01 RMM: 5 -0.320922175276E+03 0.85054E-04 -0.99013E-05 3664 0.273E-02 0.606E-02 RMM: 6 -0.320922155075E+03 0.20201E-04 -0.26265E-05 2568 0.153E-02 0.351E-02 RMM: 7 -0.320922158060E+03 -0.29851E-05 -0.21737E-05 2523 0.142E-02 6689 T= 6688. E= 0.67566441E+03 F= 0.63534683E+03 E0= 0.66366288E+03 EK= 0.54463E+02 SP= -.15E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319777274626E+03 0.11449E+01 -0.11602E-01 7608 0.244E+01 0.176E-01 RMM: 2 -0.319790617976E+03 -0.13343E-01 -0.10335E-01 4953 0.765E-01 0.791E-01 RMM: 3 -0.319786239098E+03 0.43789E-02 -0.11663E-02 5791 0.200E-01 0.150E-01 RMM: 4 -0.319785978494E+03 0.26060E-03 -0.62141E-04 4690 0.572E-02 0.105E-01 RMM: 5 -0.319785919811E+03 0.58683E-04 -0.10157E-04 3658 0.275E-02 0.697E-02 RMM: 6 -0.319785890849E+03 0.28962E-04 -0.29729E-05 2758 0.167E-02 0.344E-02 RMM: 7 -0.319785893284E+03 -0.24343E-05 -0.19169E-05 2507 0.134E-02 6690 T= 6645. E= 0.67566657E+03 F= 0.63648310E+03 E0= 0.66482918E+03 EK= 0.54116E+02 SP= -.16E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318841546745E+03 0.94434E+00 -0.11564E-01 7744 0.243E+01 0.197E-01 RMM: 2 -0.318854358545E+03 -0.12812E-01 -0.87791E-02 5097 0.716E-01 0.909E-01 RMM: 3 -0.318848836404E+03 0.55221E-02 -0.94973E-03 5630 0.195E-01 0.179E-01 RMM: 4 -0.318848564861E+03 0.27154E-03 -0.67023E-04 4679 0.571E-02 0.959E-02 RMM: 5 -0.318848514032E+03 0.50829E-04 -0.10496E-04 3737 0.263E-02 0.695E-02 RMM: 6 -0.318848485433E+03 0.28598E-04 -0.26224E-05 2657 0.157E-02 0.358E-02 RMM: 7 -0.318848487045E+03 -0.16119E-05 -0.18749E-05 2504 0.132E-02 6691 T= 6626. E= 0.67566796E+03 F= 0.63742050E+03 E0= 0.66579927E+03 EK= 0.53957E+02 SP= -.17E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318106105941E+03 0.74238E+00 -0.11749E-01 7632 0.242E+01 0.194E-01 RMM: 2 -0.318119258022E+03 -0.13152E-01 -0.93546E-02 5129 0.722E-01 0.872E-01 RMM: 3 -0.318113959389E+03 0.52986E-02 -0.99238E-03 5698 0.192E-01 0.175E-01 RMM: 4 -0.318113679080E+03 0.28031E-03 -0.65763E-04 4720 0.571E-02 0.108E-01 RMM: 5 -0.318113617640E+03 0.61441E-04 -0.10898E-04 3751 0.269E-02 0.764E-02 RMM: 6 -0.318113581996E+03 0.35643E-04 -0.28695E-05 2761 0.166E-02 0.362E-02 RMM: 7 -0.318113581987E+03 0.90367E-08 -0.16295E-05 2501 0.123E-02 6692 T= 6631. E= 0.67566906E+03 F= 0.63815541E+03 E0= 0.66656988E+03 EK= 0.53995E+02 SP= -.18E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317573442429E+03 0.54014E+00 -0.12101E-01 7720 0.242E+01 0.215E-01 RMM: 2 -0.317590268219E+03 -0.16826E-01 -0.11056E-01 4971 0.801E-01 0.105E+00 RMM: 3 -0.317582815785E+03 0.74524E-02 -0.12809E-02 5646 0.225E-01 0.202E-01 RMM: 4 -0.317582440994E+03 0.37479E-03 -0.85170E-04 4735 0.634E-02 0.944E-02 RMM: 5 -0.317582398671E+03 0.42323E-04 -0.12682E-04 3864 0.286E-02 0.791E-02 RMM: 6 -0.317582361402E+03 0.37269E-04 -0.30399E-05 2765 0.166E-02 0.387E-02 RMM: 7 -0.317582363516E+03 -0.21143E-05 -0.19491E-05 2518 0.135E-02 6693 T= 6660. E= 0.67567036E+03 F= 0.63868663E+03 E0= 0.66713937E+03 EK= 0.54234E+02 SP= -.18E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317254274184E+03 0.32809E+00 -0.11349E-01 7800 0.242E+01 0.193E-01 RMM: 2 -0.317266782150E+03 -0.12508E-01 -0.81494E-02 5234 0.676E-01 0.913E-01 RMM: 3 -0.317260975199E+03 0.58070E-02 -0.80473E-03 5559 0.184E-01 0.164E-01 RMM: 4 -0.317260794629E+03 0.18057E-03 -0.61332E-04 4677 0.532E-02 0.114E-01 RMM: 5 -0.317260717361E+03 0.77268E-04 -0.97341E-05 3721 0.254E-02 0.707E-02 RMM: 6 -0.317260686847E+03 0.30514E-04 -0.25380E-05 2686 0.157E-02 0.365E-02 RMM: 7 -0.317260686152E+03 0.69506E-06 -0.18579E-05 2506 0.131E-02 6694 T= 6715. E= 0.67567175E+03 F= 0.63900830E+03 E0= 0.66750142E+03 EK= 0.54680E+02 SP= -.19E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317149581800E+03 0.11111E+00 -0.11378E-01 8000 0.242E+01 0.195E-01 RMM: 2 -0.317162861813E+03 -0.13280E-01 -0.85838E-02 5149 0.708E-01 0.954E-01 RMM: 3 -0.317156714246E+03 0.61476E-02 -0.90408E-03 5573 0.195E-01 0.191E-01 RMM: 4 -0.317156433439E+03 0.28081E-03 -0.67532E-04 4677 0.568E-02 0.904E-02 RMM: 5 -0.317156398519E+03 0.34920E-04 -0.10573E-04 3741 0.266E-02 0.818E-02 RMM: 6 -0.317156357740E+03 0.40780E-04 -0.29144E-05 2796 0.167E-02 0.390E-02 RMM: 7 -0.317156357853E+03 -0.11378E-06 -0.17989E-05 2511 0.127E-02 6695 T= 6796. E= 0.67567217E+03 F= 0.63911263E+03 E0= 0.66764768E+03 EK= 0.55343E+02 SP= -.20E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317261091768E+03 -0.10473E+00 -0.11592E-01 7992 0.243E+01 0.157E-01 RMM: 2 -0.317271843003E+03 -0.10751E-01 -0.82562E-02 5119 0.678E-01 0.723E-01 RMM: 3 -0.317268099556E+03 0.37434E-02 -0.79097E-03 5566 0.179E-01 0.149E-01 RMM: 4 -0.317267954917E+03 0.14464E-03 -0.50740E-04 4508 0.494E-02 0.103E-01 RMM: 5 -0.317267886490E+03 0.68427E-04 -0.80270E-05 3569 0.244E-02 0.636E-02 RMM: 6 -0.317267863590E+03 0.22900E-04 -0.23548E-05 2579 0.150E-02 0.370E-02 RMM: 7 -0.317267861161E+03 0.24294E-05 -0.23369E-05 2524 0.147E-02 6696 T= 6903. E= 0.67567091E+03 F= 0.63900113E+03 E0= 0.66757897E+03 EK= 0.56218E+02 SP= -.21E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317570530318E+03 -0.30267E+00 -0.11783E-01 8128 0.245E+01 0.185E-01 RMM: 2 -0.317582385447E+03 -0.11855E-01 -0.87268E-02 5088 0.718E-01 0.811E-01 RMM: 3 -0.317577877660E+03 0.45078E-02 -0.90451E-03 5651 0.192E-01 0.208E-01 RMM: 4 -0.317577510723E+03 0.36694E-03 -0.62669E-04 4670 0.572E-02 0.794E-02 RMM: 5 -0.317577493566E+03 0.17157E-04 -0.10923E-04 3729 0.275E-02 6697 T= 7035. E= 0.67566928E+03 F= 0.63869150E+03 E0= 0.66731346E+03 EK= 0.57288E+02 SP= -.21E+02 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318042509513E+03 -0.46500E+00 -0.12621E-01 8008 0.248E+01 0.115E-01 RMM: 2 -0.318052667835E+03 -0.10158E-01 -0.96124E-02 5085 0.722E-01 0.444E-01 RMM: 3 -0.318051003847E+03 0.16640E-02 -0.87196E-03 6009 0.175E-01 0.111E-01 RMM: 4 -0.318050869931E+03 0.13392E-03 -0.36766E-04 4287 0.458E-02 0.901E-02 RMM: 5 -0.318050815927E+03 0.54004E-04 -0.54327E-05 3167 0.220E-02 0.680E-02 RMM: 6 -0.318050814121E+03 0.18060E-05 -0.37153E-05 2863 0.176E-02 6698 T= 7185. E= 0.67566618E+03 F= 0.63821818E+03 E0= 0.66688503E+03 EK= 0.58513E+02 SP= -.22E+02 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318628309506E+03 -0.57749E+00 -0.13752E-01 7728 0.251E+01 0.293E-01 RMM: 2 -0.318657414881E+03 -0.29105E-01 -0.12464E-01 4823 0.866E-01 0.167E+00 RMM: 3 -0.318638607562E+03 0.18807E-01 -0.16843E-02 5430 0.293E-01 0.266E-01 RMM: 4 -0.318638137870E+03 0.46969E-03 -0.15824E-03 4926 0.809E-02 0.113E-01 RMM: 5 -0.318638135947E+03 0.19236E-05 -0.23015E-04 3916 0.377E-02 0.119E-01 RMM: 6 -0.318638045785E+03 0.90161E-04 -0.61521E-05 3334 0.229E-02 0.436E-02 RMM: 7 -0.318638039608E+03 0.61778E-05 -0.17444E-05 2516 0.130E-02 6699 T= 7348. E= 0.67566252E+03 F= 0.63763095E+03 E0= 0.66634489E+03 EK= 0.59838E+02 SP= -.23E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319273237006E+03 -0.63519E+00 -0.13674E-01 7688 0.254E+01 0.328E-01 RMM: 2 -0.319306702762E+03 -0.33466E-01 -0.12634E-01 5039 0.877E-01 0.187E+00 RMM: 3 -0.319283368326E+03 0.23334E-01 -0.16888E-02 5392 0.302E-01 0.331E-01 RMM: 4 -0.319282557771E+03 0.81055E-03 -0.18442E-03 4969 0.913E-02 0.114E-01 RMM: 5 -0.319282555881E+03 0.18901E-05 -0.26844E-04 3900 0.405E-02 0.131E-01 RMM: 6 -0.319282439342E+03 0.11654E-03 -0.76231E-05 3535 0.249E-02 0.485E-02 RMM: 7 -0.319282434639E+03 0.47033E-05 -0.22124E-05 2557 0.138E-02 6700 T= 7515. E= 0.67565896E+03 F= 0.63698655E+03 E0= 0.66574665E+03 EK= 0.61201E+02 SP= -.23E+02 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319917279486E+03 -0.63484E+00 -0.14450E-01 7712 0.257E+01 0.219E-01 RMM: 2 -0.319937834049E+03 -0.20555E-01 -0.13056E-01 4974 0.863E-01 0.117E+00 RMM: 3 -0.319928434578E+03 0.93995E-02 -0.14491E-02 5630 0.245E-01 0.194E-01 RMM: 4 -0.319928094070E+03 0.34051E-03 -0.93881E-04 4869 0.651E-02 0.995E-02 RMM: 5 -0.319928053634E+03 0.40436E-04 -0.13890E-04 3860 0.317E-02 0.848E-02 RMM: 6 -0.319928012507E+03 0.41127E-04 -0.35876E-05 2900 0.179E-02 0.452E-02 RMM: 7 -0.319928015552E+03 -0.30448E-05 -0.20197E-05 2534 0.139E-02 6701 T= 7679. E= 0.67565622E+03 F= 0.63634097E+03 E0= 0.66514643E+03 EK= 0.62536E+02 SP= -.24E+02 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320517286904E+03 -0.58927E+00 -0.15182E-01 7736 0.260E+01 0.207E-01 RMM: 2 -0.320533695508E+03 -0.16409E-01 -0.13088E-01 5074 0.864E-01 0.876E-01 RMM: 3 -0.320528417896E+03 0.52776E-02 -0.13821E-02 5850 0.225E-01 0.182E-01 RMM: 4 -0.320528093550E+03 0.32435E-03 -0.79693E-04 4733 0.657E-02 0.139E-01 RMM: 5 -0.320527985755E+03 0.10780E-03 -0.15234E-04 3866 0.331E-02 0.846E-02 RMM: 6 -0.320527945575E+03 0.40179E-04 -0.39009E-05 3032 0.188E-02 0.420E-02 RMM: 7 -0.320527945205E+03 0.37059E-06 -0.17802E-05 2513 0.128E-02 6702 T= 7833. E= 0.67565373E+03 F= 0.63574104E+03 E0= 0.66458691E+03 EK= 0.63786E+02 SP= -.24E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321029236639E+03 -0.50129E+00 -0.15349E-01 7792 0.262E+01 0.201E-01 RMM: 2 -0.321046719913E+03 -0.17483E-01 -0.14046E-01 5008 0.903E-01 0.883E-01 RMM: 3 -0.321041412702E+03 0.53072E-02 -0.15501E-02 5935 0.235E-01 0.176E-01 RMM: 4 -0.321041034973E+03 0.37773E-03 -0.78050E-04 4776 0.647E-02 0.123E-01 RMM: 5 -0.321040957808E+03 0.77165E-04 -0.13710E-04 3844 0.312E-02 0.929E-02 RMM: 6 -0.321040910598E+03 0.47210E-04 -0.39749E-05 3020 0.189E-02 0.470E-02 RMM: 7 -0.321040913255E+03 -0.26571E-05 -0.23976E-05 2551 0.146E-02 6703 T= 7970. E= 0.67565172E+03 F= 0.63522808E+03 E0= 0.66410542E+03 EK= 0.64900E+02 SP= -.25E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321423751254E+03 -0.38284E+00 -0.15544E-01 7896 0.264E+01 0.230E-01 RMM: 2 -0.321441643759E+03 -0.17893E-01 -0.12991E-01 5085 0.873E-01 0.102E+00 RMM: 3 -0.321434686935E+03 0.69568E-02 -0.14092E-02 5832 0.237E-01 0.204E-01 RMM: 4 -0.321434309441E+03 0.37749E-03 -0.87755E-04 4753 0.671E-02 0.126E-01 RMM: 5 -0.321434232943E+03 0.76497E-04 -0.15388E-04 3857 0.325E-02 0.922E-02 RMM: 6 -0.321434186668E+03 0.46275E-04 -0.41393E-05 3059 0.193E-02 0.443E-02 RMM: 7 -0.321434191678E+03 -0.50101E-05 -0.21174E-05 2533 0.140E-02 6704 T= 8085. E= 0.67565081E+03 F= 0.63483480E+03 E0= 0.66373104E+03 EK= 0.65836E+02 SP= -.25E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321672215069E+03 -0.23803E+00 -0.15784E-01 7808 0.265E+01 0.202E-01 RMM: 2 -0.321690023553E+03 -0.17808E-01 -0.14908E-01 5066 0.920E-01 0.837E-01 RMM: 3 -0.321684990424E+03 0.50331E-02 -0.15490E-02 5989 0.236E-01 0.163E-01 RMM: 4 -0.321684713522E+03 0.27690E-03 -0.76678E-04 4745 0.652E-02 0.154E-01 RMM: 5 -0.321684562810E+03 0.15071E-03 -0.14554E-04 3877 0.326E-02 0.802E-02 RMM: 6 -0.321684530564E+03 0.32245E-04 -0.37474E-05 2984 0.181E-02 0.476E-02 RMM: 7 -0.321684531130E+03 -0.56513E-06 -0.28669E-05 2565 0.159E-02 6705 T= 8173. E= 0.67564967E+03 F= 0.63458446E+03 E0= 0.66348381E+03 EK= 0.66560E+02 SP= -.26E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321759169345E+03 -0.74639E-01 -0.15655E-01 7904 0.266E+01 0.224E-01 RMM: 2 -0.321777622792E+03 -0.18453E-01 -0.14060E-01 5086 0.907E-01 0.981E-01 RMM: 3 -0.321771045199E+03 0.65776E-02 -0.14700E-02 5904 0.240E-01 0.195E-01 RMM: 4 -0.321770682041E+03 0.36316E-03 -0.82446E-04 4740 0.667E-02 0.130E-01 RMM: 5 -0.321770590696E+03 0.91344E-04 -0.14909E-04 3870 0.327E-02 0.900E-02 RMM: 6 -0.321770546691E+03 0.44006E-04 -0.41015E-05 3040 0.192E-02 0.474E-02 RMM: 7 -0.321770551019E+03 -0.43288E-05 -0.25564E-05 2552 0.153E-02 6706 T= 8233. E= 0.67564878E+03 F= 0.63449844E+03 E0= 0.66338358E+03 EK= 0.67043E+02 SP= -.26E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321661596205E+03 0.10895E+00 -0.16278E-01 7808 0.267E+01 0.216E-01 RMM: 2 -0.321680608032E+03 -0.19012E-01 -0.15483E-01 4998 0.947E-01 0.901E-01 RMM: 3 -0.321674961355E+03 0.56467E-02 -0.16870E-02 5946 0.253E-01 0.185E-01 RMM: 4 -0.321674620874E+03 0.34048E-03 -0.85402E-04 4783 0.680E-02 0.141E-01 RMM: 5 -0.321674492763E+03 0.12811E-03 -0.14839E-04 3908 0.333E-02 0.805E-02 RMM: 6 -0.321674459325E+03 0.33438E-04 -0.37594E-05 2967 0.181E-02 0.463E-02 RMM: 7 -0.321674461726E+03 -0.24010E-05 -0.29888E-05 2567 0.165E-02 6707 T= 8260. E= 0.67564830E+03 F= 0.63459453E+03 E0= 0.66344909E+03 EK= 0.67263E+02 SP= -.26E+02 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321371770539E+03 0.30269E+00 -0.16129E-01 7840 0.267E+01 0.221E-01 RMM: 2 -0.321390612906E+03 -0.18842E-01 -0.14746E-01 5039 0.932E-01 0.950E-01 RMM: 3 -0.321384399976E+03 0.62129E-02 -0.15851E-02 5921 0.249E-01 0.193E-01 RMM: 4 -0.321384045993E+03 0.35398E-03 -0.84004E-04 4755 0.685E-02 0.136E-01 RMM: 5 -0.321383940143E+03 0.10585E-03 -0.15236E-04 3892 0.332E-02 0.899E-02 RMM: 6 -0.321383895421E+03 0.44722E-04 -0.43040E-05 3076 0.196E-02 0.480E-02 RMM: 7 -0.321383898748E+03 -0.33270E-05 -0.28988E-05 2561 0.164E-02 6708 T= 8253. E= 0.67564889E+03 F= 0.63488509E+03 E0= 0.66369441E+03 EK= 0.67204E+02 SP= -.26E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320881516585E+03 0.50238E+00 -0.16442E-01 7888 0.266E+01 0.222E-01 RMM: 2 -0.320902089224E+03 -0.20573E-01 -0.16333E-01 4931 0.979E-01 0.957E-01 RMM: 3 -0.320895733717E+03 0.63555E-02 -0.18524E-02 5924 0.268E-01 0.203E-01 RMM: 4 -0.320895295826E+03 0.43789E-03 -0.92877E-04 4824 0.707E-02 0.123E-01 RMM: 5 -0.320895200915E+03 0.94911E-04 -0.15173E-04 3972 0.337E-02 0.828E-02 RMM: 6 -0.320895165637E+03 0.35278E-04 -0.37738E-05 2948 0.184E-02 0.474E-02 RMM: 7 -0.320895169932E+03 -0.42947E-05 -0.27582E-05 2559 0.158E-02 6709 T= 8211. E= 0.67564999E+03 F= 0.63537382E+03 E0= 0.66412678E+03 EK= 0.66862E+02 SP= -.27E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320200612061E+03 0.69455E+00 -0.16066E-01 7816 0.266E+01 0.224E-01 RMM: 2 -0.320220205921E+03 -0.19594E-01 -0.15111E-01 5017 0.941E-01 0.974E-01 RMM: 3 -0.320213497289E+03 0.67086E-02 -0.16586E-02 5907 0.258E-01 0.192E-01 RMM: 4 -0.320213155136E+03 0.34215E-03 -0.87139E-04 4772 0.687E-02 0.136E-01 RMM: 5 -0.320213051482E+03 0.10365E-03 -0.15088E-04 3915 0.335E-02 0.926E-02 RMM: 6 -0.320213001949E+03 0.49532E-04 -0.43950E-05 3083 0.199E-02 0.465E-02 RMM: 7 -0.320213002303E+03 -0.35388E-06 -0.31408E-05 2572 0.170E-02 6710 T= 8135. E= 0.67565235E+03 F= 0.63605599E+03 E0= 0.66474503E+03 EK= 0.66244E+02 SP= -.27E+02 SK= 0.66E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319344769089E+03 0.86823E+00 -0.15441E-01 7792 0.265E+01 0.222E-01 RMM: 2 -0.319364875374E+03 -0.20106E-01 -0.15724E-01 4877 0.969E-01 0.967E-01 RMM: 3 -0.319358301040E+03 0.65743E-02 -0.18277E-02 5905 0.275E-01 0.203E-01 RMM: 4 -0.319357898393E+03 0.40265E-03 -0.94954E-04 4859 0.718E-02 0.120E-01 RMM: 5 -0.319357807042E+03 0.91351E-04 -0.14745E-04 3927 0.326E-02 0.862E-02 RMM: 6 -0.319357768218E+03 0.38824E-04 -0.37468E-05 2935 0.185E-02 0.487E-02 RMM: 7 -0.319357769240E+03 -0.10222E-05 -0.25778E-05 2547 0.153E-02 6711 T= 8028. E= 0.67565585E+03 F= 0.63691122E+03 E0= 0.66553298E+03 EK= 0.65376E+02 SP= -.27E+02 SK= 0.36E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318354596686E+03 0.10032E+01 -0.14679E-01 7824 0.264E+01 0.223E-01 RMM: 2 -0.318373782308E+03 -0.19186E-01 -0.14477E-01 4923 0.928E-01 0.978E-01 RMM: 3 -0.318366870272E+03 0.69120E-02 -0.16410E-02 5842 0.266E-01 0.207E-01 RMM: 4 -0.318366522867E+03 0.34741E-03 -0.90660E-04 4866 0.690E-02 0.122E-01 RMM: 5 -0.318366440423E+03 0.82444E-04 -0.14130E-04 3875 0.310E-02 0.933E-02 RMM: 6 -0.318366389440E+03 0.50983E-04 -0.40868E-05 3030 0.194E-02 0.467E-02 RMM: 7 -0.318366386004E+03 0.34359E-05 -0.35876E-05 2704 0.181E-02 6712 T= 7896. E= 0.67565947E+03 F= 0.63790260E+03 E0= 0.66645774E+03 EK= 0.64301E+02 SP= -.27E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317275471927E+03 0.10909E+01 -0.14933E-01 7720 0.262E+01 0.185E-01 RMM: 2 -0.317293438985E+03 -0.17967E-01 -0.16127E-01 4825 0.989E-01 0.701E-01 RMM: 3 -0.317289662051E+03 0.37769E-02 -0.18816E-02 6028 0.268E-01 0.168E-01 RMM: 4 -0.317289355617E+03 0.30643E-03 -0.82979E-04 4867 0.705E-02 0.136E-01 RMM: 5 -0.317289226693E+03 0.12892E-03 -0.13065E-04 3817 0.307E-02 0.795E-02 RMM: 6 -0.317289194418E+03 0.32275E-04 -0.33083E-05 2821 0.178E-02 0.452E-02 RMM: 7 -0.317289190807E+03 0.36112E-05 -0.28859E-05 2570 0.161E-02 6713 T= 7746. E= 0.67566413E+03 F= 0.63897980E+03 E0= 0.66747303E+03 EK= 0.63078E+02 SP= -.26E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316183945288E+03 0.11052E+01 -0.14013E-01 7768 0.260E+01 0.204E-01 RMM: 2 -0.316201419012E+03 -0.17474E-01 -0.13959E-01 4893 0.922E-01 0.866E-01 RMM: 3 -0.316195977689E+03 0.54413E-02 -0.16139E-02 5914 0.258E-01 0.188E-01 RMM: 4 -0.316195647461E+03 0.33023E-03 -0.77359E-04 4832 0.663E-02 0.118E-01 RMM: 5 -0.316195550595E+03 0.96867E-04 -0.11457E-04 3808 0.287E-02 0.775E-02 RMM: 6 -0.316195521227E+03 0.29367E-04 -0.30632E-05 2742 0.172E-02 0.500E-02 RMM: 7 -0.316195518358E+03 0.28694E-05 -0.30831E-05 2590 0.165E-02 6714 T= 7587. E= 0.67566967E+03 F= 0.64007347E+03 E0= 0.66851311E+03 EK= 0.61787E+02 SP= -.26E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315155457640E+03 0.10401E+01 -0.14041E-01 7672 0.258E+01 0.189E-01 RMM: 2 -0.315172314409E+03 -0.16857E-01 -0.14391E-01 4793 0.940E-01 0.763E-01 RMM: 3 -0.315168167268E+03 0.41471E-02 -0.17332E-02 5883 0.262E-01 0.158E-01 RMM: 4 -0.315167908584E+03 0.25868E-03 -0.78291E-04 4823 0.664E-02 0.127E-01 RMM: 5 -0.315167801185E+03 0.10740E-03 -0.12086E-04 3795 0.311E-02 0.768E-02 RMM: 6 -0.315167772487E+03 0.28698E-04 -0.31305E-05 2672 0.173E-02 0.440E-02 RMM: 7 -0.315167771765E+03 0.72225E-06 -0.21055E-05 2519 0.141E-02 6715 T= 7432. E= 0.67567627E+03 F= 0.64110122E+03 E0= 0.66949773E+03 EK= 0.60518E+02 SP= -.26E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314285175068E+03 0.88260E+00 -0.13173E-01 7560 0.256E+01 0.217E-01 RMM: 2 -0.314303255127E+03 -0.18080E-01 -0.12836E-01 4858 0.888E-01 0.101E+00 RMM: 3 -0.314296249690E+03 0.70054E-02 -0.15325E-02 5710 0.256E-01 0.202E-01 RMM: 4 -0.314295922987E+03 0.32670E-03 -0.89622E-04 4802 0.682E-02 0.115E-01 RMM: 5 -0.314295850759E+03 0.72227E-04 -0.13623E-04 3896 0.311E-02 0.855E-02 RMM: 6 -0.314295806824E+03 0.43935E-04 -0.37868E-05 2967 0.187E-02 0.439E-02 RMM: 7 -0.314295807524E+03 -0.69921E-06 -0.22920E-05 2536 0.149E-02 6716 T= 7291. E= 0.67568311E+03 F= 0.64197318E+03 E0= 0.67033845E+03 EK= 0.59370E+02 SP= -.26E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313658666372E+03 0.63714E+00 -0.13130E-01 7544 0.254E+01 0.230E-01 RMM: 2 -0.313678327822E+03 -0.19661E-01 -0.13288E-01 4790 0.911E-01 0.109E+00 RMM: 3 -0.313670101175E+03 0.82266E-02 -0.16049E-02 5571 0.266E-01 0.211E-01 RMM: 4 -0.313669738613E+03 0.36256E-03 -0.10413E-03 4840 0.717E-02 0.100E-01 RMM: 5 -0.313669700088E+03 0.38524E-04 -0.15364E-04 3976 0.323E-02 0.904E-02 RMM: 6 -0.313669649770E+03 0.50318E-04 -0.39461E-05 2992 0.189E-02 0.386E-02 RMM: 7 -0.313669651170E+03 -0.14000E-05 -0.18746E-05 2506 0.137E-02 6717 T= 7176. E= 0.67568952E+03 F= 0.64259934E+03 E0= 0.67094475E+03 EK= 0.58439E+02 SP= -.26E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313359351818E+03 0.31030E+00 -0.12597E-01 7696 0.253E+01 0.217E-01 RMM: 2 -0.313376310031E+03 -0.16958E-01 -0.11623E-01 4823 0.845E-01 0.101E+00 RMM: 3 -0.313369337025E+03 0.69730E-02 -0.13791E-02 5544 0.246E-01 0.214E-01 RMM: 4 -0.313368990288E+03 0.34674E-03 -0.91173E-04 4702 0.675E-02 0.100E-01 RMM: 5 -0.313368948754E+03 0.41534E-04 -0.14479E-04 3882 0.320E-02 0.897E-02 RMM: 6 -0.313368895689E+03 0.53066E-04 -0.41863E-05 3045 0.194E-02 0.366E-02 RMM: 7 -0.313368895815E+03 -0.12597E-06 -0.22539E-05 2517 0.150E-02 6718 T= 7099. E= 0.67569459E+03 F= 0.64290009E+03 E0= 0.67123566E+03 EK= 0.57807E+02 SP= -.25E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313445419935E+03 -0.76524E-01 -0.12227E-01 7680 0.252E+01 0.228E-01 RMM: 2 -0.313461530197E+03 -0.16110E-01 -0.10066E-01 4984 0.795E-01 0.106E+00 RMM: 3 -0.313453762215E+03 0.77680E-02 -0.11454E-02 5472 0.230E-01 0.216E-01 RMM: 4 -0.313453427962E+03 0.33425E-03 -0.89488E-04 4692 0.670E-02 0.973E-02 RMM: 5 -0.313453407382E+03 0.20580E-04 -0.14170E-04 3823 0.307E-02 0.101E-01 RMM: 6 -0.313453343307E+03 0.64075E-04 -0.40918E-05 3059 0.194E-02 0.362E-02 RMM: 7 -0.313453343346E+03 -0.38695E-07 -0.15771E-05 2499 0.124E-02 6719 T= 7065. E= 0.67569783E+03 F= 0.64281565E+03 E0= 0.67114881E+03 EK= 0.57536E+02 SP= -.25E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313946291729E+03 -0.49295E+00 -0.12729E-01 7672 0.252E+01 0.208E-01 RMM: 2 -0.313961185296E+03 -0.14894E-01 -0.11424E-01 4992 0.830E-01 0.876E-01 RMM: 3 -0.313955956865E+03 0.52284E-02 -0.12961E-02 5741 0.227E-01 0.170E-01 RMM: 4 -0.313955683679E+03 0.27319E-03 -0.74476E-04 4759 0.606E-02 0.113E-01 RMM: 5 -0.313955608551E+03 0.75128E-04 -0.11297E-04 3757 0.289E-02 0.763E-02 RMM: 6 -0.313955575690E+03 0.32861E-04 -0.31627E-05 2775 0.173E-02 0.412E-02 RMM: 7 -0.313955575953E+03 -0.26319E-06 -0.21357E-05 2531 0.142E-02 6720 T= 7080. E= 0.67569854E+03 F= 0.64231341E+03 E0= 0.67064982E+03 EK= 0.57657E+02 SP= -.25E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314867010199E+03 -0.91143E+00 -0.13160E-01 7672 0.253E+01 0.210E-01 RMM: 2 -0.314881438378E+03 -0.14428E-01 -0.10305E-01 5179 0.782E-01 0.928E-01 RMM: 3 -0.314875656324E+03 0.57821E-02 -0.10905E-02 5707 0.208E-01 0.202E-01 RMM: 4 -0.314875302587E+03 0.35374E-03 -0.73864E-04 4692 0.616E-02 0.104E-01 RMM: 5 -0.314875250783E+03 0.51804E-04 -0.12176E-04 3791 0.284E-02 0.904E-02 RMM: 6 -0.314875203186E+03 0.47597E-04 -0.33854E-05 2937 0.181E-02 0.424E-02 RMM: 7 -0.314875202206E+03 0.98013E-06 -0.20839E-05 2529 0.140E-02 6721 T= 7143. E= 0.67569649E+03 F= 0.64139379E+03 E0= 0.66973608E+03 EK= 0.58167E+02 SP= -.24E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316167653417E+03 -0.12925E+01 -0.13397E-01 7752 0.255E+01 0.211E-01 RMM: 2 -0.316183011481E+03 -0.15358E-01 -0.11680E-01 5116 0.829E-01 0.905E-01 RMM: 3 -0.316177566545E+03 0.54449E-02 -0.13036E-02 5784 0.223E-01 0.189E-01 RMM: 4 -0.316177213218E+03 0.35333E-03 -0.78664E-04 4796 0.621E-02 0.107E-01 RMM: 5 -0.316177144724E+03 0.68494E-04 -0.12032E-04 3793 0.283E-02 0.833E-02 RMM: 6 -0.316177108209E+03 0.36515E-04 -0.29965E-05 2756 0.169E-02 0.471E-02 RMM: 7 -0.316177105532E+03 0.26772E-05 -0.21022E-05 2547 0.138E-02 6722 T= 7248. E= 0.67569160E+03 F= 0.64009188E+03 E0= 0.66844256E+03 EK= 0.59024E+02 SP= -.24E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317781661840E+03 -0.16046E+01 -0.13137E-01 7912 0.257E+01 0.192E-01 RMM: 2 -0.317795784037E+03 -0.14122E-01 -0.11195E-01 5223 0.794E-01 0.813E-01 RMM: 3 -0.317791239662E+03 0.45444E-02 -0.11612E-02 5844 0.204E-01 0.185E-01 RMM: 4 -0.317790888071E+03 0.35159E-03 -0.66220E-04 4728 0.587E-02 0.107E-01 RMM: 5 -0.317790819435E+03 0.68636E-04 -0.11137E-04 3766 0.277E-02 0.798E-02 RMM: 6 -0.317790785929E+03 0.33506E-04 -0.27843E-05 2738 0.165E-02 0.473E-02 RMM: 7 -0.317790779590E+03 0.63389E-05 -0.25539E-05 2555 0.151E-02 6723 T= 7386. E= 0.67568414E+03 F= 0.63847821E+03 E0= 0.66683882E+03 EK= 0.60150E+02 SP= -.23E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319602946564E+03 -0.18122E+01 -0.13533E-01 7768 0.260E+01 0.195E-01 RMM: 2 -0.319617620551E+03 -0.14674E-01 -0.12045E-01 5059 0.837E-01 0.797E-01 RMM: 3 -0.319613386357E+03 0.42342E-02 -0.13592E-02 5898 0.221E-01 0.173E-01 RMM: 4 -0.319613045018E+03 0.34134E-03 -0.71225E-04 4774 0.615E-02 0.117E-01 RMM: 5 -0.319612958329E+03 0.86689E-04 -0.12215E-04 3781 0.297E-02 0.791E-02 RMM: 6 -0.319612925474E+03 0.32855E-04 -0.29949E-05 2734 0.166E-02 0.467E-02 RMM: 7 -0.319612918169E+03 0.73049E-05 -0.24128E-05 2548 0.149E-02 6724 T= 7544. E= 0.67567433E+03 F= 0.63665607E+03 E0= 0.66502896E+03 EK= 0.61434E+02 SP= -.23E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321504153013E+03 -0.18912E+01 -0.13714E-01 7864 0.263E+01 0.177E-01 RMM: 2 -0.321517290173E+03 -0.13137E-01 -0.11421E-01 5152 0.802E-01 0.689E-01 RMM: 3 -0.321514000244E+03 0.32899E-02 -0.11783E-02 5987 0.202E-01 0.155E-01 RMM: 4 -0.321513713187E+03 0.28706E-03 -0.57404E-04 4720 0.564E-02 0.122E-01 RMM: 5 -0.321513611693E+03 0.10149E-03 -0.10815E-04 3743 0.290E-02 0.685E-02 RMM: 6 -0.321513589404E+03 0.22289E-04 -0.26414E-05 2618 0.155E-02 0.473E-02 RMM: 7 -0.321513575698E+03 0.13706E-04 -0.27733E-05 2587 0.156E-02 6725 T= 7704. E= 0.67566302E+03 F= 0.63475541E+03 E0= 0.66314282E+03 EK= 0.62736E+02 SP= -.22E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323337856777E+03 -0.18243E+01 -0.14152E-01 7848 0.266E+01 0.189E-01 RMM: 2 -0.323353294411E+03 -0.15438E-01 -0.12646E-01 5052 0.845E-01 0.804E-01 RMM: 3 -0.323348806222E+03 0.44882E-02 -0.13638E-02 5957 0.218E-01 0.175E-01 RMM: 4 -0.323348441199E+03 0.36502E-03 -0.70898E-04 4682 0.634E-02 0.121E-01 RMM: 5 -0.323348344589E+03 0.96610E-04 -0.12914E-04 3833 0.314E-02 0.734E-02 RMM: 6 -0.323348316365E+03 0.28224E-04 -0.28809E-05 2718 0.163E-02 0.457E-02 RMM: 7 -0.323348309647E+03 0.67187E-05 -0.22611E-05 2528 0.145E-02 6726 T= 7848. E= 0.67565170E+03 F= 0.63292068E+03 E0= 0.66132586E+03 EK= 0.63906E+02 SP= -.22E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324964074531E+03 -0.16158E+01 -0.13700E-01 7640 0.268E+01 0.171E-01 RMM: 2 -0.324977655045E+03 -0.13581E-01 -0.12201E-01 5153 0.814E-01 0.644E-01 RMM: 3 -0.324974512770E+03 0.31423E-02 -0.12167E-02 6049 0.202E-01 0.140E-01 RMM: 4 -0.324974250660E+03 0.26211E-03 -0.56408E-04 4672 0.564E-02 0.132E-01 RMM: 5 -0.324974126327E+03 0.12433E-03 -0.11278E-04 3804 0.306E-02 0.592E-02 RMM: 6 -0.324974111159E+03 0.15168E-04 -0.25286E-05 2581 0.150E-02 6727 T= 7957. E= 0.67564186E+03 F= 0.63129488E+03 E0= 0.65972049E+03 EK= 0.64795E+02 SP= -.21E+02 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326254981507E+03 -0.12809E+01 -0.13757E-01 7704 0.270E+01 0.180E-01 RMM: 2 -0.326270985271E+03 -0.16004E-01 -0.12430E-01 5120 0.815E-01 0.845E-01 RMM: 3 -0.326265670422E+03 0.53148E-02 -0.12551E-02 5842 0.214E-01 0.155E-01 RMM: 4 -0.326265390070E+03 0.28035E-03 -0.66160E-04 4713 0.581E-02 0.111E-01 RMM: 5 -0.326265302307E+03 0.87763E-04 -0.10563E-04 3748 0.289E-02 0.616E-02 RMM: 6 -0.326265286131E+03 0.16176E-04 -0.24721E-05 2556 0.147E-02 6728 T= 8016. E= 0.67563465E+03 F= 0.63000370E+03 E0= 0.65845320E+03 EK= 0.65276E+02 SP= -.21E+02 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327120520997E+03 -0.85522E+00 -0.13992E-01 7656 0.270E+01 0.267E-01 RMM: 2 -0.327145886115E+03 -0.25365E-01 -0.11734E-01 5093 0.824E-01 0.151E+00 RMM: 3 -0.327130048221E+03 0.15838E-01 -0.13875E-02 5468 0.261E-01 0.234E-01 RMM: 4 -0.327129621206E+03 0.42701E-03 -0.12649E-03 4766 0.750E-02 0.105E-01 RMM: 5 -0.327129565695E+03 0.55511E-04 -0.16091E-04 3899 0.330E-02 0.869E-02 RMM: 6 -0.327129518474E+03 0.47220E-04 -0.33756E-05 2793 0.176E-02 0.501E-02 RMM: 7 -0.327129518201E+03 0.27380E-06 -0.27211E-05 2554 0.162E-02 6729 T= 8014. E= 0.67563075E+03 F= 0.62913947E+03 E0= 0.65761488E+03 EK= 0.65259E+02 SP= -.20E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327511260805E+03 -0.38174E+00 -0.14396E-01 7400 0.270E+01 0.234E-01 RMM: 2 -0.327529314812E+03 -0.18054E-01 -0.11524E-01 5056 0.800E-01 0.109E+00 RMM: 3 -0.327520685274E+03 0.86295E-02 -0.12736E-02 5492 0.242E-01 0.241E-01 RMM: 4 -0.327520278798E+03 0.40648E-03 -0.11328E-03 4796 0.736E-02 0.108E-01 RMM: 5 -0.327520244781E+03 0.34017E-04 -0.15667E-04 3923 0.306E-02 0.106E-01 RMM: 6 -0.327520171643E+03 0.73138E-04 -0.38076E-05 2986 0.190E-02 0.336E-02 RMM: 7 -0.327520171142E+03 0.50118E-06 -0.17542E-05 2503 0.131E-02 6730 T= 7946. E= 0.67563080E+03 F= 0.62874882E+03 E0= 0.65725134E+03 EK= 0.64706E+02 SP= -.19E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327433949115E+03 0.86223E-01 -0.14223E-01 7616 0.268E+01 0.190E-01 RMM: 2 -0.327450751793E+03 -0.16803E-01 -0.11980E-01 4997 0.802E-01 0.953E-01 RMM: 3 -0.327444088376E+03 0.66634E-02 -0.12839E-02 5801 0.221E-01 0.161E-01 RMM: 4 -0.327443819111E+03 0.26926E-03 -0.70578E-04 4725 0.603E-02 0.114E-01 RMM: 5 -0.327443736534E+03 0.82576E-04 -0.10774E-04 3732 0.290E-02 0.700E-02 RMM: 6 -0.327443707640E+03 0.28894E-04 -0.28056E-05 2651 0.160E-02 0.434E-02 RMM: 7 -0.327443705432E+03 0.22084E-05 -0.25403E-05 2550 0.153E-02 6731 T= 7814. E= 0.67563392E+03 F= 0.62882528E+03 E0= 0.65735396E+03 EK= 0.63633E+02 SP= -.18E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326946272320E+03 0.49744E+00 -0.14411E-01 7616 0.264E+01 0.181E-01 RMM: 2 -0.326961175302E+03 -0.14903E-01 -0.12584E-01 4989 0.825E-01 0.739E-01 RMM: 3 -0.326957015823E+03 0.41595E-02 -0.13717E-02 5919 0.217E-01 0.139E-01 RMM: 4 -0.326956755534E+03 0.26029E-03 -0.66006E-04 4826 0.586E-02 0.118E-01 RMM: 5 -0.326956663130E+03 0.92404E-04 -0.97631E-05 3684 0.276E-02 0.637E-02 RMM: 6 -0.326956641179E+03 0.21950E-04 -0.25530E-05 2581 0.156E-02 0.380E-02 RMM: 7 -0.326956639272E+03 0.19075E-05 -0.21023E-05 2535 0.139E-02 6732 T= 7627. E= 0.67564034E+03 F= 0.62931235E+03 E0= 0.65786488E+03 EK= 0.62113E+02 SP= -.17E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326152030545E+03 0.80461E+00 -0.13755E-01 7736 0.260E+01 0.178E-01 RMM: 2 -0.326165632428E+03 -0.13602E-01 -0.10969E-01 4963 0.783E-01 0.781E-01 RMM: 3 -0.326161395293E+03 0.42371E-02 -0.11946E-02 5872 0.208E-01 0.166E-01 RMM: 4 -0.326161117706E+03 0.27759E-03 -0.63746E-04 4688 0.596E-02 0.116E-01 RMM: 5 -0.326161026276E+03 0.91430E-04 -0.10040E-04 3624 0.276E-02 0.667E-02 RMM: 6 -0.326161002871E+03 0.23405E-04 -0.25737E-05 2620 0.155E-02 0.402E-02 RMM: 7 -0.326161000666E+03 0.22050E-05 -0.22655E-05 2541 0.142E-02 6733 T= 7401. E= 0.67564928E+03 F= 0.63010799E+03 E0= 0.65868146E+03 EK= 0.60266E+02 SP= -.16E+02 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325177936506E+03 0.98307E+00 -0.13265E-01 7360 0.255E+01 0.180E-01 RMM: 2 -0.325189805340E+03 -0.11869E-01 -0.91579E-02 5083 0.718E-01 0.771E-01 RMM: 3 -0.325185545955E+03 0.42594E-02 -0.94515E-03 5706 0.193E-01 0.160E-01 RMM: 4 -0.325185351881E+03 0.19407E-03 -0.57225E-04 4710 0.540E-02 0.111E-01 RMM: 5 -0.325185269824E+03 0.82057E-04 -0.88683E-05 3619 0.254E-02 0.673E-02 RMM: 6 -0.325185246433E+03 0.23391E-04 -0.24825E-05 2591 0.154E-02 0.401E-02 RMM: 7 -0.325185246428E+03 0.47585E-08 -0.20269E-05 2523 0.135E-02 6734 T= 7151. E= 0.67565878E+03 F= 0.63108374E+03 E0= 0.65967617E+03 EK= 0.58234E+02 SP= -.16E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324154889757E+03 0.10304E+01 -0.12930E-01 7512 0.251E+01 0.177E-01 RMM: 2 -0.324166316865E+03 -0.11427E-01 -0.87206E-02 5057 0.711E-01 0.775E-01 RMM: 3 -0.324162135922E+03 0.41809E-02 -0.92098E-03 5731 0.189E-01 0.159E-01 RMM: 4 -0.324161926050E+03 0.20987E-03 -0.55805E-04 4665 0.541E-02 0.104E-01 RMM: 5 -0.324161855941E+03 0.70109E-04 -0.85324E-05 3573 0.253E-02 0.681E-02 RMM: 6 -0.324161831616E+03 0.24325E-04 -0.23910E-05 2564 0.151E-02 0.394E-02 RMM: 7 -0.324161831639E+03 -0.22257E-07 -0.19322E-05 2516 0.132E-02 6735 T= 6897. E= 0.67566742E+03 F= 0.63210716E+03 E0= 0.66071653E+03 EK= 0.56163E+02 SP= -.15E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323202523010E+03 0.95931E+00 -0.12623E-01 7480 0.246E+01 0.164E-01 RMM: 2 -0.323212452327E+03 -0.99293E-02 -0.75643E-02 5078 0.667E-01 0.729E-01 RMM: 3 -0.323208795154E+03 0.36572E-02 -0.78211E-03 5667 0.176E-01 0.146E-01 RMM: 4 -0.323208634264E+03 0.16089E-03 -0.47121E-04 4590 0.494E-02 0.997E-02 RMM: 5 -0.323208573637E+03 0.60627E-04 -0.76516E-05 3509 0.246E-02 0.646E-02 RMM: 6 -0.323208550434E+03 0.23204E-04 -0.23486E-05 2569 0.150E-02 0.353E-02 RMM: 7 -0.323208549865E+03 0.56913E-06 -0.17214E-05 2489 0.127E-02 6736 T= 6653. E= 0.67567396E+03 F= 0.63306044E+03 E0= 0.66168785E+03 EK= 0.54182E+02 SP= -.14E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322405643245E+03 0.80291E+00 -0.12329E-01 7392 0.241E+01 0.156E-01 RMM: 2 -0.322415094354E+03 -0.94511E-02 -0.75994E-02 5057 0.665E-01 0.671E-01 RMM: 3 -0.322412006326E+03 0.30880E-02 -0.80600E-03 5806 0.170E-01 0.127E-01 RMM: 4 -0.322411843370E+03 0.16296E-03 -0.44634E-04 4451 0.498E-02 0.990E-02 RMM: 5 -0.322411782994E+03 0.60376E-04 -0.73636E-05 3455 0.251E-02 0.579E-02 RMM: 6 -0.322411765381E+03 0.17613E-04 -0.20588E-05 2536 0.137E-02 6737 T= 6433. E= 0.67567843E+03 F= 0.63385722E+03 E0= 0.66250516E+03 EK= 0.52385E+02 SP= -.13E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321815338792E+03 0.59644E+00 -0.11763E-01 7512 0.238E+01 0.152E-01 RMM: 2 -0.321825293414E+03 -0.99546E-02 -0.70988E-02 5120 0.632E-01 0.744E-01 RMM: 3 -0.321821348628E+03 0.39448E-02 -0.72334E-03 5561 0.167E-01 0.153E-01 RMM: 4 -0.321821153925E+03 0.19470E-03 -0.45574E-04 4385 0.474E-02 0.743E-02 RMM: 5 -0.321821115215E+03 0.38710E-04 -0.58577E-05 3271 0.220E-02 0.561E-02 RMM: 6 -0.321821101965E+03 0.13251E-04 -0.21892E-05 2526 0.145E-02 6738 T= 6241. E= 0.67568084E+03 F= 0.63444789E+03 E0= 0.66312075E+03 EK= 0.50826E+02 SP= -.12E+02 SK= 0.20E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321447679717E+03 0.37344E+00 -0.11185E-01 7232 0.234E+01 0.259E-01 RMM: 2 -0.321466894442E+03 -0.19215E-01 -0.64940E-02 5281 0.631E-01 0.145E+00 RMM: 3 -0.321452434686E+03 0.14460E-01 -0.85480E-03 5368 0.221E-01 0.240E-01 RMM: 4 -0.321452011325E+03 0.42336E-03 -0.10036E-03 4627 0.674E-02 0.713E-02 RMM: 5 -0.321451996044E+03 0.15281E-04 -0.10861E-04 3933 0.241E-02 6739 T= 6081. E= 0.67568198E+03 F= 0.63481699E+03 E0= 0.66352004E+03 EK= 0.49523E+02 SP= -.11E+02 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321292213174E+03 0.15980E+00 -0.10902E-01 7376 0.231E+01 0.174E-01 RMM: 2 -0.321303385251E+03 -0.11172E-01 -0.64274E-02 5308 0.585E-01 0.910E-01 RMM: 3 -0.321297476881E+03 0.59084E-02 -0.58650E-03 5420 0.165E-01 0.186E-01 RMM: 4 -0.321297241012E+03 0.23587E-03 -0.60263E-04 4602 0.531E-02 0.880E-02 RMM: 5 -0.321297195661E+03 0.45351E-04 -0.73113E-05 3543 0.220E-02 0.661E-02 RMM: 6 -0.321297175976E+03 0.19685E-04 -0.18979E-05 2547 0.137E-02 6740 T= 5952. E= 0.67568249E+03 F= 0.63497181E+03 E0= 0.66371050E+03 EK= 0.48471E+02 SP= -.96E+01 SK= 0.19E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321334484221E+03 -0.37289E-01 -0.10704E-01 7328 0.229E+01 0.282E-01 RMM: 2 -0.321353437267E+03 -0.18953E-01 -0.70157E-02 5293 0.640E-01 0.144E+00 RMM: 3 -0.321339598551E+03 0.13839E-01 -0.96345E-03 5360 0.234E-01 0.271E-01 RMM: 4 -0.321339094002E+03 0.50455E-03 -0.11371E-03 4629 0.693E-02 0.965E-02 RMM: 5 -0.321339075344E+03 0.18658E-04 -0.15007E-04 3885 0.305E-02 6741 T= 5852. E= 0.67568293E+03 F= 0.63492991E+03 E0= 0.66371002E+03 EK= 0.47652E+02 SP= -.87E+01 SK= 0.18E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321551174105E+03 -0.21208E+00 -0.10484E-01 7600 0.227E+01 0.218E-01 RMM: 2 -0.321568511232E+03 -0.17337E-01 -0.79762E-02 5235 0.654E-01 0.126E+00 RMM: 3 -0.321557676698E+03 0.10835E-01 -0.89339E-03 5422 0.207E-01 0.216E-01 RMM: 4 -0.321557357835E+03 0.31886E-03 -0.89554E-04 4694 0.616E-02 0.961E-02 RMM: 5 -0.321557296847E+03 0.60988E-04 -0.11320E-04 3855 0.257E-02 0.750E-02 RMM: 6 -0.321557268794E+03 0.28053E-04 -0.25990E-05 2681 0.158E-02 0.459E-02 RMM: 7 -0.321557273927E+03 -0.51332E-05 -0.21234E-05 2564 0.130E-02 6742 T= 5777. E= 0.67568330E+03 F= 0.63471172E+03 E0= 0.66353723E+03 EK= 0.47043E+02 SP= -.77E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321924091092E+03 -0.36682E+00 -0.10607E-01 7704 0.225E+01 0.227E-01 RMM: 2 -0.321938505925E+03 -0.14415E-01 -0.82349E-02 5063 0.664E-01 0.107E+00 RMM: 3 -0.321930614410E+03 0.78915E-02 -0.93855E-03 5513 0.202E-01 0.188E-01 RMM: 4 -0.321930448073E+03 0.16634E-03 -0.90154E-04 4653 0.651E-02 0.149E-01 RMM: 5 -0.321930340298E+03 0.10777E-03 -0.14584E-04 3825 0.294E-02 0.889E-02 RMM: 6 -0.321930287137E+03 0.53161E-04 -0.38052E-05 3063 0.189E-02 0.224E-02 RMM: 7 -0.321930289030E+03 -0.18936E-05 -0.11360E-05 2488 0.101E-02 6743 T= 5725. E= 0.67568283E+03 F= 0.63433870E+03 E0= 0.66321322E+03 EK= 0.46623E+02 SP= -.68E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322427292705E+03 -0.49701E+00 -0.10660E-01 7896 0.224E+01 0.169E-01 RMM: 2 -0.322438408855E+03 -0.11116E-01 -0.88198E-02 5094 0.684E-01 0.730E-01 RMM: 3 -0.322434749741E+03 0.36591E-02 -0.97594E-03 5907 0.182E-01 0.119E-01 RMM: 4 -0.322434531424E+03 0.21832E-03 -0.50646E-04 4622 0.501E-02 0.112E-01 RMM: 5 -0.322434443265E+03 0.88159E-04 -0.78575E-05 3570 0.245E-02 0.594E-02 RMM: 6 -0.322434427504E+03 0.15761E-04 -0.20282E-05 2537 0.133E-02 6744 T= 5693. E= 0.67568143E+03 F= 0.63383456E+03 E0= 0.66275842E+03 EK= 0.46364E+02 SP= -.60E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323031871196E+03 -0.59743E+00 -0.11177E-01 7992 0.223E+01 0.167E-01 RMM: 2 -0.323045963902E+03 -0.14093E-01 -0.95729E-02 5045 0.688E-01 0.908E-01 RMM: 3 -0.323040100031E+03 0.58639E-02 -0.10457E-02 5713 0.194E-01 0.161E-01 RMM: 4 -0.323039813190E+03 0.28684E-03 -0.61572E-04 4817 0.513E-02 0.759E-02 RMM: 5 -0.323039776834E+03 0.36356E-04 -0.67346E-05 3345 0.220E-02 0.641E-02 RMM: 6 -0.323039759992E+03 0.16842E-04 -0.20727E-05 2531 0.136E-02 6745 T= 5678. E= 0.67567932E+03 F= 0.63322923E+03 E0= 0.66220063E+03 EK= 0.46236E+02 SP= -.51E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323702695986E+03 -0.66292E+00 -0.10794E-01 8080 0.223E+01 0.355E-01 RMM: 2 -0.323732798512E+03 -0.30103E-01 -0.93710E-02 5036 0.727E-01 0.186E+00 RMM: 3 -0.323709523756E+03 0.23275E-01 -0.15706E-02 5364 0.301E-01 0.335E-01 RMM: 4 -0.323708683279E+03 0.84048E-03 -0.17406E-03 4779 0.863E-02 0.939E-02 RMM: 5 -0.323708665256E+03 0.18023E-04 -0.21529E-04 3931 0.345E-02 0.998E-02 RMM: 6 -0.323708600812E+03 0.64444E-04 -0.45331E-05 3121 0.206E-02 0.421E-02 RMM: 7 -0.323708600783E+03 0.28662E-07 -0.17045E-05 2521 0.127E-02 6746 T= 5673. E= 0.67567633E+03 F= 0.63256039E+03 E0= 0.66157465E+03 EK= 0.46199E+02 SP= -.43E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324389282792E+03 -0.68068E+00 -0.11243E-01 8320 0.224E+01 0.309E-01 RMM: 2 -0.324418166437E+03 -0.28884E-01 -0.96422E-02 4971 0.699E-01 0.177E+00 RMM: 3 -0.324396855549E+03 0.21311E-01 -0.13914E-02 5363 0.276E-01 0.313E-01 RMM: 4 -0.324396166295E+03 0.68925E-03 -0.16435E-03 4786 0.837E-02 0.123E-01 RMM: 5 -0.324396155472E+03 0.10822E-04 -0.24384E-04 3899 0.395E-02 0.122E-01 RMM: 6 -0.324396055548E+03 0.99924E-04 -0.69637E-05 3436 0.245E-02 0.428E-02 RMM: 7 -0.324396048399E+03 0.71493E-05 -0.16884E-05 2523 0.127E-02 6747 T= 5674. E= 0.67567347E+03 F= 0.63187294E+03 E0= 0.66092239E+03 EK= 0.46209E+02 SP= -.36E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325048478328E+03 -0.65242E+00 -0.11890E-01 8184 0.224E+01 0.236E-01 RMM: 2 -0.325069118034E+03 -0.20640E-01 -0.10400E-01 4906 0.727E-01 0.132E+00 RMM: 3 -0.325057111159E+03 0.12007E-01 -0.12299E-02 5454 0.240E-01 0.238E-01 RMM: 4 -0.325056671352E+03 0.43981E-03 -0.11066E-03 4869 0.676E-02 0.804E-02 RMM: 5 -0.325056644563E+03 0.26789E-04 -0.13986E-04 3855 0.302E-02 0.779E-02 RMM: 6 -0.325056605440E+03 0.39123E-04 -0.30256E-05 2759 0.168E-02 0.376E-02 RMM: 7 -0.325056605858E+03 -0.41786E-06 -0.14765E-05 2497 0.122E-02 6748 T= 5676. E= 0.67567091E+03 F= 0.63121238E+03 E0= 0.66028614E+03 EK= 0.46220E+02 SP= -.28E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325643190741E+03 -0.58659E+00 -0.12022E-01 8288 0.225E+01 0.187E-01 RMM: 2 -0.325658219199E+03 -0.15028E-01 -0.99169E-02 4923 0.696E-01 0.957E-01 RMM: 3 -0.325651692331E+03 0.65269E-02 -0.10881E-02 5713 0.210E-01 0.189E-01 RMM: 4 -0.325651363339E+03 0.32899E-03 -0.73367E-04 4765 0.576E-02 0.830E-02 RMM: 5 -0.325651335567E+03 0.27772E-04 -0.10330E-04 3691 0.272E-02 0.690E-02 RMM: 6 -0.325651305148E+03 0.30419E-04 -0.24463E-05 2593 0.150E-02 0.340E-02 RMM: 7 -0.325651305492E+03 -0.34409E-06 -0.13691E-05 2489 0.119E-02 6749 T= 5672. E= 0.67566855E+03 F= 0.63061768E+03 E0= 0.65970416E+03 EK= 0.46193E+02 SP= -.21E+01 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326140847058E+03 -0.48954E+00 -0.12887E-01 8152 0.226E+01 0.170E-01 RMM: 2 -0.326155239271E+03 -0.14392E-01 -0.11551E-01 4817 0.765E-01 0.757E-01 RMM: 3 -0.326150958914E+03 0.42804E-02 -0.12734E-02 5902 0.215E-01 0.151E-01 RMM: 4 -0.326150663789E+03 0.29513E-03 -0.67095E-04 4832 0.568E-02 0.929E-02 RMM: 5 -0.326150621385E+03 0.42404E-04 -0.99000E-05 3640 0.271E-02 0.707E-02 RMM: 6 -0.326150589986E+03 0.31399E-04 -0.27297E-05 2618 0.160E-02 0.314E-02 RMM: 7 -0.326150590471E+03 -0.48496E-06 -0.14242E-05 2490 0.120E-02 6750 T= 5661. E= 0.67566676E+03 F= 0.63011840E+03 E0= 0.65920448E+03 EK= 0.46099E+02 SP= -.14E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326527202743E+03 -0.37661E+00 -0.12248E-01 8344 0.226E+01 0.171E-01 RMM: 2 -0.326541207947E+03 -0.14005E-01 -0.10277E-01 4944 0.711E-01 0.838E-01 RMM: 3 -0.326536076949E+03 0.51310E-02 -0.10851E-02 5836 0.204E-01 0.168E-01 RMM: 4 -0.326535779413E+03 0.29754E-03 -0.63711E-04 4740 0.548E-02 0.866E-02 RMM: 5 -0.326535743721E+03 0.35691E-04 -0.93886E-05 3600 0.266E-02 0.656E-02 RMM: 6 -0.326535717348E+03 0.26373E-04 -0.25236E-05 2595 0.153E-02 0.342E-02 RMM: 7 -0.326535719827E+03 -0.24789E-05 -0.15373E-05 2493 0.123E-02 6751 T= 5639. E= 0.67566577E+03 F= 0.62973327E+03 E0= 0.65880668E+03 EK= 0.45922E+02 SP= -.79E+00 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326789764357E+03 -0.25405E+00 -0.12541E-01 8120 0.226E+01 0.166E-01 RMM: 2 -0.326803960805E+03 -0.14196E-01 -0.11128E-01 4901 0.749E-01 0.777E-01 RMM: 3 -0.326799411113E+03 0.45497E-02 -0.11965E-02 5938 0.206E-01 0.154E-01 RMM: 4 -0.326799106102E+03 0.30501E-03 -0.61328E-04 4775 0.550E-02 0.839E-02 RMM: 5 -0.326799074227E+03 0.31875E-04 -0.91125E-05 3605 0.258E-02 0.657E-02 RMM: 6 -0.326799048831E+03 0.25396E-04 -0.24639E-05 2579 0.153E-02 0.300E-02 RMM: 7 -0.326799050116E+03 -0.12852E-05 -0.11498E-05 2486 0.107E-02 6752 T= 5606. E= 0.67566542E+03 F= 0.62946994E+03 E0= 0.65851936E+03 EK= 0.45654E+02 SP= -.17E+00 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326931346009E+03 -0.13230E+00 -0.11691E-01 8192 0.226E+01 0.156E-01 RMM: 2 -0.326944775955E+03 -0.13430E-01 -0.10668E-01 4967 0.733E-01 0.747E-01 RMM: 3 -0.326940650661E+03 0.41253E-02 -0.11270E-02 5946 0.199E-01 0.144E-01 RMM: 4 -0.326940376158E+03 0.27450E-03 -0.56447E-04 4759 0.521E-02 0.877E-02 RMM: 5 -0.326940334805E+03 0.41353E-04 -0.83086E-05 3509 0.262E-02 0.625E-02 RMM: 6 -0.326940310706E+03 0.24099E-04 -0.24635E-05 2570 0.152E-02 0.316E-02 RMM: 7 -0.326940310825E+03 -0.11907E-06 -0.17395E-05 2492 0.128E-02 6753 T= 5563. E= 0.67566530E+03 F= 0.62932868E+03 E0= 0.65834535E+03 EK= 0.45298E+02 SP= 0.41E+00 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326956420734E+03 -0.16110E-01 -0.11536E-01 8424 0.225E+01 0.159E-01 RMM: 2 -0.326968912605E+03 -0.12492E-01 -0.97711E-02 4998 0.706E-01 0.743E-01 RMM: 3 -0.326964756626E+03 0.41560E-02 -0.99739E-03 5949 0.189E-01 0.153E-01 RMM: 4 -0.326964477538E+03 0.27909E-03 -0.53522E-04 4652 0.521E-02 0.765E-02 RMM: 5 -0.326964453714E+03 0.23825E-04 -0.77805E-05 3513 0.240E-02 0.655E-02 RMM: 6 -0.326964428038E+03 0.25675E-04 -0.22903E-05 2562 0.150E-02 0.306E-02 RMM: 7 -0.326964428232E+03 -0.19408E-06 -0.10494E-05 2481 0.101E-02 6754 T= 5509. E= 0.67566598E+03 F= 0.62930456E+03 E0= 0.65828218E+03 EK= 0.44860E+02 SP= 0.95E+00 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326878700491E+03 0.85728E-01 -0.10600E-01 8440 0.224E+01 0.144E-01 RMM: 2 -0.326889556087E+03 -0.10856E-01 -0.89669E-02 4955 0.671E-01 0.648E-01 RMM: 3 -0.326886316098E+03 0.32400E-02 -0.92854E-03 5898 0.184E-01 0.126E-01 RMM: 4 -0.326886120671E+03 0.19543E-03 -0.46125E-04 4754 0.464E-02 0.820E-02 RMM: 5 -0.326886080371E+03 0.40301E-04 -0.60566E-05 3301 0.228E-02 0.577E-02 RMM: 6 -0.326886062301E+03 0.18069E-04 -0.21812E-05 2536 0.144E-02 6755 T= 5447. E= 0.67566741E+03 F= 0.62938293E+03 E0= 0.65831822E+03 EK= 0.44358E+02 SP= 0.15E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326723116612E+03 0.16296E+00 -0.96732E-02 8112 0.222E+01 0.175E-01 RMM: 2 -0.326735470016E+03 -0.12353E-01 -0.87069E-02 4944 0.670E-01 0.826E-01 RMM: 3 -0.326730509203E+03 0.49608E-02 -0.95961E-03 5643 0.197E-01 0.177E-01 RMM: 4 -0.326730215776E+03 0.29343E-03 -0.62792E-04 4877 0.514E-02 0.665E-02 RMM: 5 -0.326730188821E+03 0.26956E-04 -0.66931E-05 3385 0.227E-02 0.595E-02 RMM: 6 -0.326730172332E+03 0.16489E-04 -0.19118E-05 2516 0.133E-02 6756 T= 5381. E= 0.67567017E+03 F= 0.62953882E+03 E0= 0.65843144E+03 EK= 0.43818E+02 SP= 0.19E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326532799322E+03 0.19739E+00 -0.92700E-02 8104 0.220E+01 0.304E-01 RMM: 2 -0.326562315587E+03 -0.29516E-01 -0.78688E-02 4996 0.672E-01 0.186E+00 RMM: 3 -0.326538708014E+03 0.23608E-01 -0.12242E-02 5366 0.266E-01 0.301E-01 RMM: 4 -0.326538034697E+03 0.67332E-03 -0.14056E-03 4715 0.773E-02 0.752E-02 RMM: 5 -0.326538024710E+03 0.99867E-05 -0.15887E-04 3934 0.300E-02 6757 T= 5315. E= 0.67567462E+03 F= 0.62973096E+03 E0= 0.65858301E+03 EK= 0.43283E+02 SP= 0.23E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326360665505E+03 0.17737E+00 -0.89406E-02 7904 0.217E+01 0.194E-01 RMM: 2 -0.326377004744E+03 -0.16339E-01 -0.73608E-02 5050 0.614E-01 0.120E+00 RMM: 3 -0.326366891890E+03 0.10113E-01 -0.85215E-03 5399 0.205E-01 0.211E-01 RMM: 4 -0.326366573265E+03 0.31862E-03 -0.85844E-04 4758 0.595E-02 0.806E-02 RMM: 5 -0.326366540407E+03 0.32858E-04 -0.92575E-05 3748 0.243E-02 0.652E-02 RMM: 6 -0.326366521909E+03 0.18497E-04 -0.21346E-05 2555 0.139E-02 6758 T= 5257. E= 0.67567974E+03 F= 0.62990247E+03 E0= 0.65871819E+03 EK= 0.42810E+02 SP= 0.27E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326276844767E+03 0.89696E-01 -0.82069E-02 7648 0.215E+01 0.224E-01 RMM: 2 -0.326294214383E+03 -0.17370E-01 -0.69918E-02 4884 0.631E-01 0.130E+00 RMM: 3 -0.326282419949E+03 0.11794E-01 -0.90140E-03 5399 0.216E-01 0.218E-01 RMM: 4 -0.326282089516E+03 0.33043E-03 -0.90489E-04 4698 0.617E-02 0.667E-02 RMM: 5 -0.326282080940E+03 0.85758E-05 -0.11091E-04 3842 0.262E-02 6759 T= 5215. E= 0.67568499E+03 F= 0.62998691E+03 E0= 0.65877289E+03 EK= 0.42466E+02 SP= 0.30E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326347664295E+03 -0.65575E-01 -0.78484E-02 7864 0.213E+01 0.207E-01 RMM: 2 -0.326362697254E+03 -0.15033E-01 -0.72721E-02 4927 0.641E-01 0.115E+00 RMM: 3 -0.326353737655E+03 0.89596E-02 -0.91814E-03 5438 0.210E-01 0.210E-01 RMM: 4 -0.326353420412E+03 0.31724E-03 -0.84787E-04 4761 0.584E-02 0.638E-02 RMM: 5 -0.326353401144E+03 0.19268E-04 -0.97632E-05 3828 0.250E-02 6760 T= 5197. E= 0.67569014E+03 F= 0.62991559E+03 E0= 0.65867942E+03 EK= 0.42318E+02 SP= 0.33E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326635202755E+03 -0.28178E+00 -0.83254E-02 7712 0.212E+01 0.142E-01 RMM: 2 -0.326646700956E+03 -0.11498E-01 -0.92095E-02 4728 0.717E-01 0.688E-01 RMM: 3 -0.326643398172E+03 0.33028E-02 -0.10858E-02 5960 0.187E-01 0.144E-01 RMM: 4 -0.326643106128E+03 0.29204E-03 -0.51433E-04 4970 0.510E-02 0.600E-02 RMM: 5 -0.326643085644E+03 0.20485E-04 -0.59992E-05 3130 0.227E-02 0.507E-02 RMM: 6 -0.326643077221E+03 0.84225E-05 -0.20600E-05 2515 0.136E-02 6761 T= 5210. E= 0.67569324E+03 F= 0.62962591E+03 E0= 0.65837728E+03 EK= 0.42427E+02 SP= 0.36E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327190240443E+03 -0.54715E+00 -0.80458E-02 7632 0.212E+01 0.221E-01 RMM: 2 -0.327210314579E+03 -0.20074E-01 -0.84906E-02 4731 0.683E-01 0.138E+00 RMM: 3 -0.327197311266E+03 0.13003E-01 -0.10980E-02 5435 0.226E-01 0.186E-01 RMM: 4 -0.327197063179E+03 0.24809E-03 -0.10120E-03 4802 0.627E-02 0.907E-02 RMM: 5 -0.327197052969E+03 0.10210E-04 -0.12842E-04 3860 0.286E-02 6762 T= 5260. E= 0.67569479E+03 F= 0.62907194E+03 E0= 0.65781977E+03 EK= 0.42837E+02 SP= 0.37E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328032576590E+03 -0.83551E+00 -0.78270E-02 7776 0.213E+01 0.211E-01 RMM: 2 -0.328048984033E+03 -0.16407E-01 -0.71335E-02 4964 0.632E-01 0.125E+00 RMM: 3 -0.328038435978E+03 0.10548E-01 -0.90174E-03 5414 0.214E-01 0.241E-01 RMM: 4 -0.328038030204E+03 0.40577E-03 -0.89694E-04 4745 0.610E-02 0.651E-02 RMM: 5 -0.328038014591E+03 0.15614E-04 -0.10708E-04 3809 0.261E-02 6763 T= 5350. E= 0.67569488E+03 F= 0.62823097E+03 E0= 0.65698415E+03 EK= 0.43570E+02 SP= 0.39E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329155203811E+03 -0.11172E+01 -0.83753E-02 8016 0.215E+01 0.151E-01 RMM: 2 -0.329165863705E+03 -0.10660E-01 -0.69427E-02 4902 0.617E-01 0.836E-01 RMM: 3 -0.329161139542E+03 0.47242E-02 -0.79487E-03 5701 0.177E-01 0.167E-01 RMM: 4 -0.329160885149E+03 0.25439E-03 -0.48632E-04 4839 0.454E-02 0.675E-02 RMM: 5 -0.329160857832E+03 0.27318E-04 -0.49369E-05 2908 0.211E-02 0.605E-02 RMM: 6 -0.329160851286E+03 0.65456E-05 -0.24668E-05 2572 0.147E-02 6764 T= 5479. E= 0.67569225E+03 F= 0.62710814E+03 E0= 0.65587462E+03 EK= 0.44616E+02 SP= 0.40E+01 SK= 0.97E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330525118565E+03 -0.13643E+01 -0.87861E-02 7960 0.218E+01 0.259E-01 RMM: 2 -0.330546805396E+03 -0.21687E-01 -0.72213E-02 4972 0.627E-01 0.152E+00 RMM: 3 -0.330530807765E+03 0.15998E-01 -0.10465E-02 5379 0.239E-01 0.263E-01 RMM: 4 -0.330530359992E+03 0.44777E-03 -0.12801E-03 4688 0.743E-02 0.103E-01 RMM: 5 -0.330530349225E+03 0.10767E-04 -0.17324E-04 3887 0.317E-02 6765 T= 5641. E= 0.67568733E+03 F= 0.62573864E+03 E0= 0.65452385E+03 EK= 0.45938E+02 SP= 0.40E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332074086114E+03 -0.15437E+01 -0.93982E-02 8272 0.221E+01 0.294E-01 RMM: 2 -0.332100502399E+03 -0.26416E-01 -0.79582E-02 5172 0.669E-01 0.174E+00 RMM: 3 -0.332080122681E+03 0.20380E-01 -0.11599E-02 5403 0.257E-01 0.307E-01 RMM: 4 -0.332079433932E+03 0.68875E-03 -0.13842E-03 4665 0.779E-02 0.889E-02 RMM: 5 -0.332079402925E+03 0.31008E-04 -0.16899E-04 3919 0.315E-02 0.873E-02 RMM: 6 -0.332079355368E+03 0.47556E-04 -0.32365E-05 2739 0.176E-02 0.466E-02 RMM: 7 -0.332079353091E+03 0.22772E-05 -0.18781E-05 2518 0.134E-02 6766 T= 5829. E= 0.67568039E+03 F= 0.62418964E+03 E0= 0.65299651E+03 EK= 0.47466E+02 SP= 0.40E+01 SK= 0.35E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.333706266800E+03 -0.16269E+01 -0.10302E-01 7944 0.225E+01 0.232E-01 RMM: 2 -0.333724275195E+03 -0.18008E-01 -0.90797E-02 4949 0.696E-01 0.126E+00 RMM: 3 -0.333713601734E+03 0.10673E-01 -0.10683E-02 5510 0.221E-01 0.224E-01 RMM: 4 -0.333713231222E+03 0.37051E-03 -0.99339E-04 4738 0.658E-02 0.886E-02 RMM: 5 -0.333713219983E+03 0.11239E-04 -0.13688E-04 3880 0.284E-02 6767 T= 6029. E= 0.67567163E+03 F= 0.62255577E+03 E0= 0.65138528E+03 EK= 0.49099E+02 SP= 0.40E+01 SK= 0.63E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335306793888E+03 -0.15936E+01 -0.10512E-01 8016 0.229E+01 0.155E-01 RMM: 2 -0.335319194972E+03 -0.12401E-01 -0.90625E-02 5080 0.682E-01 0.804E-01 RMM: 3 -0.335314548993E+03 0.46460E-02 -0.94574E-03 5781 0.189E-01 0.153E-01 RMM: 4 -0.335314324796E+03 0.22420E-03 -0.55252E-04 4541 0.504E-02 0.970E-02 RMM: 5 -0.335314248609E+03 0.76187E-04 -0.77769E-05 3576 0.245E-02 0.642E-02 RMM: 6 -0.335314233732E+03 0.14877E-04 -0.21759E-05 2529 0.137E-02 6768 T= 6228. E= 0.67566225E+03 F= 0.62095476E+03 E0= 0.64980428E+03 EK= 0.50716E+02 SP= 0.40E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336744478545E+03 -0.14302E+01 -0.11573E-01 8024 0.233E+01 0.206E-01 RMM: 2 -0.336762879431E+03 -0.18401E-01 -0.10667E-01 4822 0.750E-01 0.117E+00 RMM: 3 -0.336753500433E+03 0.93790E-02 -0.12352E-02 5609 0.227E-01 0.188E-01 RMM: 4 -0.336753169622E+03 0.33081E-03 -0.89869E-04 4853 0.621E-02 0.828E-02 RMM: 5 -0.336753135594E+03 0.34027E-04 -0.10830E-04 3890 0.263E-02 0.673E-02 RMM: 6 -0.336753111349E+03 0.24246E-04 -0.21073E-05 2549 0.137E-02 0.438E-02 RMM: 7 -0.336753116202E+03 -0.48535E-05 -0.23280E-05 2565 0.152E-02 6769 T= 6408. E= 0.67565242E+03 F= 0.61951587E+03 E0= 0.64838274E+03 EK= 0.52181E+02 SP= 0.40E+01 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337895639807E+03 -0.11425E+01 -0.12029E-01 8128 0.236E+01 0.262E-01 RMM: 2 -0.337915732948E+03 -0.20093E-01 -0.11128E-01 4853 0.790E-01 0.127E+00 RMM: 3 -0.337904702416E+03 0.11031E-01 -0.13600E-02 5544 0.250E-01 0.263E-01 RMM: 4 -0.337904230445E+03 0.47197E-03 -0.13529E-03 4758 0.807E-02 0.131E-01 RMM: 5 -0.337904203939E+03 0.26506E-04 -0.22588E-04 3886 0.381E-02 0.125E-01 RMM: 6 -0.337904099517E+03 0.10442E-03 -0.64574E-05 3417 0.238E-02 0.338E-02 RMM: 7 -0.337904098254E+03 0.12633E-05 -0.18216E-05 2516 0.132E-02 6770 T= 6553. E= 0.67564433E+03 F= 0.61836489E+03 E0= 0.64724312E+03 EK= 0.53364E+02 SP= 0.39E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338650819181E+03 -0.74672E+00 -0.12587E-01 8176 0.239E+01 0.211E-01 RMM: 2 -0.338670202254E+03 -0.19383E-01 -0.11334E-01 4885 0.770E-01 0.117E+00 RMM: 3 -0.338660303416E+03 0.98988E-02 -0.12585E-02 5630 0.233E-01 0.186E-01 RMM: 4 -0.338659993021E+03 0.31039E-03 -0.90995E-04 4846 0.630E-02 0.923E-02 RMM: 5 -0.338659943166E+03 0.49855E-04 -0.11799E-04 3800 0.292E-02 0.690E-02 RMM: 6 -0.338659915284E+03 0.27882E-04 -0.26661E-05 2588 0.155E-02 0.423E-02 RMM: 7 -0.338659914871E+03 0.41297E-06 -0.17065E-05 2509 0.129E-02 6771 T= 6650. E= 0.67563810E+03 F= 0.61760907E+03 E0= 0.64649183E+03 EK= 0.54153E+02 SP= 0.39E+01 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338934558086E+03 -0.27464E+00 -0.12920E-01 8136 0.240E+01 0.149E-01 RMM: 2 -0.338948056612E+03 -0.13499E-01 -0.11833E-01 4832 0.780E-01 0.639E-01 RMM: 3 -0.338944853934E+03 0.32027E-02 -0.12933E-02 6120 0.209E-01 0.142E-01 RMM: 4 -0.338944533553E+03 0.32038E-03 -0.54219E-04 4805 0.541E-02 0.831E-02 RMM: 5 -0.338944493786E+03 0.39766E-04 -0.75545E-05 3486 0.257E-02 0.567E-02 RMM: 6 -0.338944479109E+03 0.14678E-04 -0.22033E-05 2545 0.144E-02 6772 T= 6689. E= 0.67563551E+03 F= 0.61732451E+03 E0= 0.64620433E+03 EK= 0.54469E+02 SP= 0.38E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338715981957E+03 0.22851E+00 -0.13722E-01 7976 0.240E+01 0.184E-01 RMM: 2 -0.338734609376E+03 -0.18627E-01 -0.13630E-01 4846 0.835E-01 0.950E-01 RMM: 3 -0.338727751603E+03 0.68578E-02 -0.14953E-02 5824 0.235E-01 0.172E-01 RMM: 4 -0.338727360975E+03 0.39063E-03 -0.81377E-04 4872 0.624E-02 0.815E-02 RMM: 5 -0.338727324378E+03 0.36597E-04 -0.10250E-04 3879 0.271E-02 0.660E-02 RMM: 6 -0.338727303367E+03 0.21011E-04 -0.23268E-05 2547 0.143E-02 0.475E-02 RMM: 7 -0.338727305295E+03 -0.19279E-05 -0.21058E-05 2531 0.143E-02 6773 T= 6665. E= 0.67563644E+03 F= 0.61754168E+03 E0= 0.64641036E+03 EK= 0.54279E+02 SP= 0.38E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338016916130E+03 0.71039E+00 -0.13142E-01 8048 0.240E+01 0.172E-01 RMM: 2 -0.338031447341E+03 -0.14531E-01 -0.11727E-01 4896 0.772E-01 0.757E-01 RMM: 3 -0.338026924963E+03 0.45224E-02 -0.12459E-02 5889 0.213E-01 0.172E-01 RMM: 4 -0.338026606022E+03 0.31894E-03 -0.71672E-04 4697 0.619E-02 0.101E-01 RMM: 5 -0.338026580782E+03 0.25240E-04 -0.11176E-04 3687 0.290E-02 0.835E-02 RMM: 6 -0.338026537489E+03 0.43293E-04 -0.29899E-05 2807 0.172E-02 0.290E-02 RMM: 7 -0.338026541620E+03 -0.41309E-05 -0.14598E-05 2485 0.125E-02 6774 T= 6582. E= 0.67564096E+03 F= 0.61824245E+03 E0= 0.64709217E+03 EK= 0.53602E+02 SP= 0.38E+01 SK= 0.63E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336897982007E+03 0.11286E+01 -0.13313E-01 7848 0.237E+01 0.206E-01 RMM: 2 -0.336918932511E+03 -0.20951E-01 -0.13955E-01 4806 0.850E-01 0.111E+00 RMM: 3 -0.336909903516E+03 0.90290E-02 -0.15472E-02 5791 0.242E-01 0.180E-01 RMM: 4 -0.336909504145E+03 0.39937E-03 -0.90803E-04 4852 0.659E-02 0.943E-02 RMM: 5 -0.336909467238E+03 0.36907E-04 -0.12449E-04 3796 0.299E-02 0.740E-02 RMM: 6 -0.336909432904E+03 0.34334E-04 -0.29476E-05 2727 0.162E-02 0.386E-02 RMM: 7 -0.336909433362E+03 -0.45796E-06 -0.15247E-05 2496 0.126E-02 6775 T= 6448. E= 0.67564888E+03 F= 0.61935956E+03 E0= 0.64818304E+03 EK= 0.52509E+02 SP= 0.38E+01 SK= 0.59E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335474853595E+03 0.14346E+01 -0.12327E-01 8192 0.234E+01 0.176E-01 RMM: 2 -0.335491346016E+03 -0.16492E-01 -0.12842E-01 4886 0.805E-01 0.838E-01 RMM: 3 -0.335486109116E+03 0.52369E-02 -0.14310E-02 5789 0.225E-01 0.167E-01 RMM: 4 -0.335485757067E+03 0.35205E-03 -0.75986E-04 4924 0.596E-02 0.865E-02 RMM: 5 -0.335485720331E+03 0.36736E-04 -0.96131E-05 3732 0.273E-02 0.648E-02 RMM: 6 -0.335485697828E+03 0.22503E-04 -0.23616E-05 2560 0.147E-02 0.393E-02 RMM: 7 -0.335485700132E+03 -0.23038E-05 -0.20552E-05 2516 0.143E-02 6776 T= 6277. E= 0.67565891E+03 F= 0.62078329E+03 E0= 0.64957462E+03 EK= 0.51113E+02 SP= 0.38E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333884842287E+03 0.16009E+01 -0.12346E-01 7744 0.231E+01 0.184E-01 RMM: 2 -0.333902949557E+03 -0.18107E-01 -0.13276E-01 4808 0.827E-01 0.934E-01 RMM: 3 -0.333896382010E+03 0.65675E-02 -0.14639E-02 5765 0.231E-01 0.193E-01 RMM: 4 -0.333895973957E+03 0.40805E-03 -0.85612E-04 4783 0.659E-02 0.951E-02 RMM: 5 -0.333895946803E+03 0.27154E-04 -0.13234E-04 3812 0.306E-02 0.847E-02 RMM: 6 -0.333895901970E+03 0.44833E-04 -0.33662E-05 2902 0.176E-02 0.361E-02 RMM: 7 -0.333895903112E+03 -0.11419E-05 -0.14693E-05 2494 0.122E-02 6777 T= 6086. E= 0.67567013E+03 F= 0.62237309E+03 E0= 0.65112836E+03 EK= 0.49560E+02 SP= 0.37E+01 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332284671587E+03 0.16112E+01 -0.11059E-01 7896 0.227E+01 0.180E-01 RMM: 2 -0.332298999827E+03 -0.14328E-01 -0.11032E-01 4934 0.751E-01 0.808E-01 RMM: 3 -0.332294197404E+03 0.48024E-02 -0.12004E-02 5828 0.209E-01 0.166E-01 RMM: 4 -0.332293898556E+03 0.29885E-03 -0.66649E-04 4776 0.566E-02 0.947E-02 RMM: 5 -0.332293851524E+03 0.47032E-04 -0.93284E-05 3673 0.262E-02 0.694E-02 RMM: 6 -0.332293826075E+03 0.25449E-04 -0.24713E-05 2568 0.153E-02 0.378E-02 RMM: 7 -0.332293829750E+03 -0.36754E-05 -0.18190E-05 2506 0.133E-02 6778 T= 5895. E= 0.67568150E+03 F= 0.62397516E+03 E0= 0.65269277E+03 EK= 0.48009E+02 SP= 0.37E+01 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330818948575E+03 0.14749E+01 -0.10462E-01 7776 0.224E+01 0.175E-01 RMM: 2 -0.330833260871E+03 -0.14312E-01 -0.11095E-01 4837 0.763E-01 0.804E-01 RMM: 3 -0.330828647805E+03 0.46131E-02 -0.12435E-02 5856 0.207E-01 0.163E-01 RMM: 4 -0.330828326031E+03 0.32177E-03 -0.66297E-04 4702 0.590E-02 0.974E-02 RMM: 5 -0.330828289114E+03 0.36917E-04 -0.10831E-04 3665 0.279E-02 0.805E-02 RMM: 6 -0.330828251442E+03 0.37672E-04 -0.29820E-05 2782 0.169E-02 0.342E-02 RMM: 7 -0.330828253249E+03 -0.18076E-05 -0.13676E-05 2485 0.118E-02 6779 T= 5724. E= 0.67569120E+03 F= 0.62544074E+03 E0= 0.65412072E+03 EK= 0.46611E+02 SP= 0.36E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329616229779E+03 0.12120E+01 -0.10207E-01 7864 0.221E+01 0.184E-01 RMM: 2 -0.329629069500E+03 -0.12840E-01 -0.93821E-02 4946 0.702E-01 0.825E-01 RMM: 3 -0.329624188444E+03 0.48811E-02 -0.10293E-02 5718 0.202E-01 0.140E-01 RMM: 4 -0.329624014853E+03 0.17359E-03 -0.65129E-04 4758 0.538E-02 0.102E-01 RMM: 5 -0.329623955303E+03 0.59550E-04 -0.86337E-05 3679 0.242E-02 0.703E-02 RMM: 6 -0.329623927678E+03 0.27625E-04 -0.25101E-05 2582 0.153E-02 0.346E-02 RMM: 7 -0.329623929621E+03 -0.19438E-05 -0.16675E-05 2492 0.130E-02 6780 T= 5587. E= 0.67569798E+03 F= 0.62664506E+03 E0= 0.65528961E+03 EK= 0.45497E+02 SP= 0.35E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328757193891E+03 0.86673E+00 -0.10403E-01 7856 0.218E+01 0.169E-01 RMM: 2 -0.328770814893E+03 -0.13621E-01 -0.10730E-01 4879 0.745E-01 0.761E-01 RMM: 3 -0.328766577006E+03 0.42379E-02 -0.11758E-02 5897 0.201E-01 0.151E-01 RMM: 4 -0.328766278703E+03 0.29830E-03 -0.60372E-04 4681 0.562E-02 0.915E-02 RMM: 5 -0.328766242415E+03 0.36287E-04 -0.91050E-05 3620 0.249E-02 0.761E-02 RMM: 6 -0.328766209635E+03 0.32780E-04 -0.25699E-05 2622 0.159E-02 0.356E-02 RMM: 7 -0.328766211436E+03 -0.18002E-05 -0.13097E-05 2482 0.115E-02 6781 T= 5496. E= 0.67570141E+03 F= 0.62750278E+03 E0= 0.65611536E+03 EK= 0.44753E+02 SP= 0.34E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328287099498E+03 0.47911E+00 -0.10065E-01 8408 0.217E+01 0.177E-01 RMM: 2 -0.328300261576E+03 -0.13162E-01 -0.10096E-01 5118 0.696E-01 0.785E-01 RMM: 3 -0.328295529601E+03 0.47320E-02 -0.10028E-02 5826 0.195E-01 0.140E-01 RMM: 4 -0.328295338363E+03 0.19124E-03 -0.61072E-04 4700 0.524E-02 0.980E-02 RMM: 5 -0.328295284017E+03 0.54346E-04 -0.81292E-05 3627 0.229E-02 0.677E-02 RMM: 6 -0.328295259694E+03 0.24323E-04 -0.22882E-05 2557 0.148E-02 0.362E-02 RMM: 7 -0.328295262841E+03 -0.31475E-05 -0.15451E-05 2495 0.124E-02 6782 T= 5455. E= 0.67570180E+03 F= 0.62797373E+03 E0= 0.65655909E+03 EK= 0.44425E+02 SP= 0.32E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328198873827E+03 0.96386E-01 -0.10615E-01 8584 0.217E+01 0.170E-01 RMM: 2 -0.328213534011E+03 -0.14660E-01 -0.11723E-01 5101 0.740E-01 0.769E-01 RMM: 3 -0.328208894845E+03 0.46392E-02 -0.11209E-02 5889 0.198E-01 0.158E-01 RMM: 4 -0.328208597379E+03 0.29747E-03 -0.62533E-04 4575 0.561E-02 0.911E-02 RMM: 5 -0.328208556729E+03 0.40650E-04 -0.93467E-05 3673 0.245E-02 0.734E-02 RMM: 6 -0.328208528213E+03 0.28516E-04 -0.23349E-05 2580 0.150E-02 0.393E-02 RMM: 7 -0.328208530470E+03 -0.22567E-05 -0.13825E-05 2490 0.117E-02 6783 T= 5466. E= 0.67569927E+03 F= 0.62806046E+03 E0= 0.65662343E+03 EK= 0.44511E+02 SP= 0.30E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328456363532E+03 -0.24784E+00 -0.11280E-01 9088 0.218E+01 0.186E-01 RMM: 2 -0.328471200485E+03 -0.14837E-01 -0.10956E-01 5423 0.685E-01 0.865E-01 RMM: 3 -0.328465328325E+03 0.58722E-02 -0.89568E-03 5699 0.191E-01 0.174E-01 RMM: 4 -0.328465095765E+03 0.23256E-03 -0.69096E-04 4773 0.540E-02 0.921E-02 RMM: 5 -0.328465054093E+03 0.41672E-04 -0.90131E-05 3631 0.235E-02 0.727E-02 RMM: 6 -0.328465026644E+03 0.27450E-04 -0.22937E-05 2584 0.149E-02 0.427E-02 RMM: 7 -0.328465029218E+03 -0.25742E-05 -0.16892E-05 2509 0.126E-02 6784 T= 5523. E= 0.67569462E+03 F= 0.62780396E+03 E0= 0.65634972E+03 EK= 0.44973E+02 SP= 0.28E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328985963806E+03 -0.52094E+00 -0.13281E-01 9056 0.219E+01 0.184E-01 RMM: 2 -0.329003577234E+03 -0.17613E-01 -0.13476E-01 5286 0.759E-01 0.886E-01 RMM: 3 -0.328997211256E+03 0.63660E-02 -0.10937E-02 5825 0.203E-01 0.176E-01 RMM: 4 -0.328996910571E+03 0.30069E-03 -0.73151E-04 4719 0.581E-02 0.929E-02 RMM: 5 -0.328996868698E+03 0.41872E-04 -0.10106E-04 3742 0.250E-02 0.755E-02 RMM: 6 -0.328996839824E+03 0.28875E-04 -0.23293E-05 2595 0.149E-02 0.435E-02 RMM: 7 -0.328996842132E+03 -0.23079E-05 -0.14650E-05 2501 0.117E-02 6785 T= 5617. E= 0.67568846E+03 F= 0.62727215E+03 E0= 0.65580545E+03 EK= 0.45744E+02 SP= 0.25E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329709052401E+03 -0.71221E+00 -0.14427E-01 9104 0.221E+01 0.192E-01 RMM: 2 -0.329726312435E+03 -0.17260E-01 -0.12998E-01 5771 0.705E-01 0.904E-01 RMM: 3 -0.329719431753E+03 0.68807E-02 -0.77903E-03 5637 0.185E-01 0.184E-01 RMM: 4 -0.329719192713E+03 0.23904E-03 -0.72427E-04 4800 0.542E-02 0.968E-02 RMM: 5 -0.329719147301E+03 0.45413E-04 -0.93453E-05 3686 0.246E-02 0.753E-02 RMM: 6 -0.329719118285E+03 0.29016E-04 -0.23415E-05 2625 0.150E-02 0.472E-02 RMM: 7 -0.329719119952E+03 -0.16678E-05 -0.18201E-05 2522 0.127E-02 6786 T= 5739. E= 0.67568189E+03 F= 0.62654987E+03 E0= 0.65507515E+03 EK= 0.46739E+02 SP= 0.22E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330525844971E+03 -0.80673E+00 -0.16868E-01 9192 0.224E+01 0.190E-01 RMM: 2 -0.330545742700E+03 -0.19898E-01 -0.15322E-01 5493 0.790E-01 0.930E-01 RMM: 3 -0.330538576160E+03 0.71665E-02 -0.10629E-02 5725 0.208E-01 0.177E-01 RMM: 4 -0.330538305496E+03 0.27066E-03 -0.79023E-04 4812 0.588E-02 0.996E-02 RMM: 5 -0.330538254167E+03 0.51329E-04 -0.10914E-04 3788 0.261E-02 0.774E-02 RMM: 6 -0.330538223525E+03 0.30642E-04 -0.25802E-05 2678 0.156E-02 0.444E-02 RMM: 7 -0.330538227074E+03 -0.35486E-05 -0.17682E-05 2519 0.126E-02 6787 T= 5877. E= 0.67567508E+03 F= 0.62573076E+03 E0= 0.65425115E+03 EK= 0.47863E+02 SP= 0.18E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331347158246E+03 -0.80893E+00 -0.17858E-01 9072 0.227E+01 0.185E-01 RMM: 2 -0.331365212159E+03 -0.18054E-01 -0.14854E-01 5880 0.746E-01 0.813E-01 RMM: 3 -0.331359131454E+03 0.60807E-02 -0.77466E-03 5793 0.183E-01 0.168E-01 RMM: 4 -0.331358930372E+03 0.20108E-03 -0.67243E-04 4769 0.527E-02 0.110E-01 RMM: 5 -0.331358865576E+03 0.64796E-04 -0.97750E-05 3715 0.257E-02 0.753E-02 RMM: 6 -0.331358835663E+03 0.29913E-04 -0.25089E-05 2678 0.154E-02 0.472E-02 RMM: 7 -0.331358836730E+03 -0.10670E-05 -0.24295E-05 2557 0.142E-02 6788 T= 6019. E= 0.67566841E+03 F= 0.62491015E+03 E0= 0.65342794E+03 EK= 0.49017E+02 SP= 0.14E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332082704600E+03 -0.72387E+00 -0.18664E-01 9032 0.229E+01 0.178E-01 RMM: 2 -0.332101031117E+03 -0.18327E-01 -0.15052E-01 6002 0.743E-01 0.812E-01 RMM: 3 -0.332094842851E+03 0.61883E-02 -0.69883E-03 5711 0.175E-01 0.160E-01 RMM: 4 -0.332094693462E+03 0.14939E-03 -0.66074E-04 4731 0.527E-02 0.112E-01 RMM: 5 -0.332094609631E+03 0.83831E-04 -0.93376E-05 3705 0.240E-02 0.743E-02 RMM: 6 -0.332094582853E+03 0.26778E-04 -0.24956E-05 2669 0.154E-02 0.453E-02 RMM: 7 -0.332094584973E+03 -0.21193E-05 -0.24476E-05 2588 0.135E-02 6789 T= 6154. E= 0.67566246E+03 F= 0.62417440E+03 E0= 0.65269070E+03 EK= 0.50113E+02 SP= 0.11E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332662595628E+03 -0.56801E+00 -0.19311E-01 9024 0.232E+01 0.176E-01 RMM: 2 -0.332680157169E+03 -0.17562E-01 -0.15275E-01 5895 0.762E-01 0.721E-01 RMM: 3 -0.332675156627E+03 0.50005E-02 -0.77550E-03 5994 0.178E-01 0.153E-01 RMM: 4 -0.332674981750E+03 0.17488E-03 -0.57869E-04 4651 0.506E-02 0.120E-01 RMM: 5 -0.332674891955E+03 0.89795E-04 -0.96093E-05 3695 0.259E-02 0.707E-02 RMM: 6 -0.332674867132E+03 0.24823E-04 -0.26026E-05 2713 0.156E-02 0.485E-02 RMM: 7 -0.332674866525E+03 0.60751E-06 -0.33465E-05 2638 0.161E-02 6790 T= 6272. E= 0.67565839E+03 F= 0.62359412E+03 E0= 0.65210952E+03 EK= 0.51076E+02 SP= 0.65E+00 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333040718631E+03 -0.36585E+00 -0.18948E-01 8976 0.234E+01 0.176E-01 RMM: 2 -0.333058188529E+03 -0.17470E-01 -0.15157E-01 5789 0.775E-01 0.726E-01 RMM: 3 -0.333053184475E+03 0.50041E-02 -0.84339E-03 5939 0.184E-01 0.147E-01 RMM: 4 -0.333053031737E+03 0.15274E-03 -0.60201E-04 4699 0.525E-02 0.123E-01 RMM: 5 -0.333052926113E+03 0.10562E-03 -0.93564E-05 3667 0.248E-02 0.714E-02 RMM: 6 -0.333052902471E+03 0.23642E-04 -0.26232E-05 2681 0.156E-02 0.480E-02 RMM: 7 -0.333052900478E+03 0.19938E-05 -0.36495E-05 2670 0.162E-02 6791 T= 6368. E= 0.67565657E+03 F= 0.62321609E+03 E0= 0.65173036E+03 EK= 0.51854E+02 SP= 0.24E+00 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333200634867E+03 -0.14773E+00 -0.18178E-01 8960 0.235E+01 0.179E-01 RMM: 2 -0.333218119636E+03 -0.17485E-01 -0.14851E-01 5738 0.782E-01 0.757E-01 RMM: 3 -0.333212940667E+03 0.51790E-02 -0.87939E-03 6015 0.187E-01 0.166E-01 RMM: 4 -0.333212719516E+03 0.22115E-03 -0.59854E-04 4693 0.532E-02 0.116E-01 RMM: 5 -0.333212630606E+03 0.88911E-04 -0.94229E-05 3636 0.251E-02 0.723E-02 RMM: 6 -0.333212606142E+03 0.24464E-04 -0.26940E-05 2718 0.159E-02 0.530E-02 RMM: 7 -0.333212606520E+03 -0.37811E-06 -0.39149E-05 2731 0.173E-02 6792 T= 6438. E= 0.67565669E+03 F= 0.62305638E+03 E0= 0.65156932E+03 EK= 0.52425E+02 SP= -.18E+00 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333156700051E+03 0.55906E-01 -0.16978E-01 8912 0.236E+01 0.179E-01 RMM: 2 -0.333173146868E+03 -0.16447E-01 -0.14019E-01 5668 0.777E-01 0.730E-01 RMM: 3 -0.333168329657E+03 0.48172E-02 -0.89931E-03 5868 0.193E-01 0.142E-01 RMM: 4 -0.333168183824E+03 0.14583E-03 -0.61310E-04 4747 0.533E-02 0.119E-01 RMM: 5 -0.333168086256E+03 0.97569E-04 -0.85704E-05 3568 0.238E-02 0.704E-02 RMM: 6 -0.333168065924E+03 0.20332E-04 -0.24377E-05 2578 0.152E-02 0.504E-02 RMM: 7 -0.333168066235E+03 -0.31121E-06 -0.36250E-05 2691 0.164E-02 6793 T= 6484. E= 0.67565810E+03 F= 0.62310092E+03 E0= 0.65161311E+03 EK= 0.52800E+02 SP= -.60E+00 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332942453218E+03 0.22561E+00 -0.15640E-01 8656 0.236E+01 0.182E-01 RMM: 2 -0.332959316395E+03 -0.16863E-01 -0.13585E-01 5517 0.784E-01 0.813E-01 RMM: 3 -0.332953831743E+03 0.54847E-02 -0.99792E-03 5918 0.199E-01 0.181E-01 RMM: 4 -0.332953568025E+03 0.26372E-03 -0.63343E-04 4735 0.557E-02 0.107E-01 RMM: 5 -0.332953492568E+03 0.75457E-04 -0.92912E-05 3619 0.254E-02 0.740E-02 RMM: 6 -0.332953467576E+03 0.24992E-04 -0.26351E-05 2668 0.158E-02 0.547E-02 RMM: 7 -0.332953466037E+03 0.15391E-05 -0.47766E-05 2994 0.194E-02 6794 T= 6509. E= 0.67565963E+03 F= 0.62331552E+03 E0= 0.65182679E+03 EK= 0.53007E+02 SP= -.10E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332592641730E+03 0.36083E+00 -0.13982E-01 8336 0.236E+01 0.170E-01 RMM: 2 -0.332607279858E+03 -0.14638E-01 -0.12259E-01 5372 0.753E-01 0.716E-01 RMM: 3 -0.332602836707E+03 0.44432E-02 -0.96899E-03 5887 0.197E-01 0.151E-01 RMM: 4 -0.332602654149E+03 0.18256E-03 -0.58044E-04 4687 0.533E-02 0.108E-01 RMM: 5 -0.332602573472E+03 0.80677E-04 -0.80768E-05 3538 0.241E-02 0.690E-02 RMM: 6 -0.332602552858E+03 0.20614E-04 -0.24077E-05 2569 0.152E-02 0.478E-02 RMM: 7 -0.332602554102E+03 -0.12436E-05 -0.31536E-05 2629 0.161E-02 6795 T= 6518. E= 0.67565968E+03 F= 0.62366644E+03 E0= 0.65217655E+03 EK= 0.53078E+02 SP= -.14E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332115164123E+03 0.48739E+00 -0.13253E-01 8160 0.235E+01 0.164E-01 RMM: 2 -0.332129066734E+03 -0.13903E-01 -0.11304E-01 5213 0.728E-01 0.738E-01 RMM: 3 -0.332124399451E+03 0.46673E-02 -0.94426E-03 5957 0.195E-01 0.148E-01 RMM: 4 -0.332124217299E+03 0.18215E-03 -0.50617E-04 4652 0.508E-02 0.102E-01 RMM: 5 -0.332124143038E+03 0.74261E-04 -0.73342E-05 3469 0.241E-02 0.636E-02 RMM: 6 -0.332124128057E+03 0.14981E-04 -0.24133E-05 2562 0.149E-02 6796 T= 6511. E= 0.67565832E+03 F= 0.62414486E+03 E0= 0.65265288E+03 EK= 0.53019E+02 SP= -.19E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331487392472E+03 0.63675E+00 -0.13080E-01 8144 0.235E+01 0.201E-01 RMM: 2 -0.331504367847E+03 -0.16975E-01 -0.11000E-01 5228 0.710E-01 0.101E+00 RMM: 3 -0.331496122017E+03 0.82458E-02 -0.99991E-03 5438 0.217E-01 0.173E-01 RMM: 4 -0.331495908902E+03 0.21312E-03 -0.79396E-04 4851 0.569E-02 0.899E-02 RMM: 5 -0.331495857920E+03 0.50982E-04 -0.79966E-05 3657 0.247E-02 0.702E-02 RMM: 6 -0.331495840372E+03 0.17548E-04 -0.23927E-05 2551 0.148E-02 6797 T= 6485. E= 0.67565563E+03 F= 0.62477315E+03 E0= 0.65327736E+03 EK= 0.52807E+02 SP= -.23E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330667285614E+03 0.82857E+00 -0.13155E-01 8048 0.235E+01 0.373E-01 RMM: 2 -0.330709606779E+03 -0.42321E-01 -0.11870E-01 5010 0.804E-01 0.221E+00 RMM: 3 -0.330675901888E+03 0.33705E-01 -0.18068E-02 5351 0.327E-01 0.342E-01 RMM: 4 -0.330675057847E+03 0.84404E-03 -0.20203E-03 5025 0.913E-02 0.104E-01 RMM: 5 -0.330675019757E+03 0.38090E-04 -0.19686E-04 3990 0.323E-02 0.103E-01 RMM: 6 -0.330674957524E+03 0.62234E-04 -0.36956E-05 2777 0.184E-02 0.626E-02 RMM: 7 -0.330674982852E+03 -0.25328E-04 -0.54634E-05 3288 0.207E-02 0.921E-02 RMM: 8 -0.330674941161E+03 0.41691E-04 -0.11614E-04 3887 0.236E-02 0.558E-02 RMM: 9 -0.330674923467E+03 0.17694E-04 -0.22236E-05 2606 0.130E-02 6798 T= 6435. E= 0.67565400E+03 F= 0.62559407E+03 E0= 0.65409370E+03 EK= 0.52402E+02 SP= -.27E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329622710573E+03 0.10522E+01 -0.12973E-01 8008 0.234E+01 0.274E-01 RMM: 2 -0.329648151530E+03 -0.25441E-01 -0.12254E-01 5179 0.732E-01 0.147E+00 RMM: 3 -0.329632074963E+03 0.16077E-01 -0.12897E-02 5385 0.263E-01 0.261E-01 RMM: 4 -0.329631759708E+03 0.31525E-03 -0.15413E-03 4943 0.856E-02 0.177E-01 RMM: 5 -0.329631648830E+03 0.11088E-03 -0.23211E-04 3892 0.389E-02 0.136E-01 RMM: 6 -0.329631517193E+03 0.13164E-03 -0.75523E-05 3524 0.259E-02 0.391E-02 RMM: 7 -0.329631529120E+03 -0.11927E-04 -0.29336E-05 2651 0.162E-02 6799 T= 6358. E= 0.67565511E+03 F= 0.62663746E+03 E0= 0.65513090E+03 EK= 0.51776E+02 SP= -.31E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328369686766E+03 0.12618E+01 -0.13770E-01 8304 0.233E+01 0.197E-01 RMM: 2 -0.328388127946E+03 -0.18441E-01 -0.12925E-01 5224 0.771E-01 0.999E-01 RMM: 3 -0.328380222485E+03 0.79055E-02 -0.11659E-02 5719 0.222E-01 0.188E-01 RMM: 4 -0.328379920920E+03 0.30156E-03 -0.77078E-04 4790 0.596E-02 0.953E-02 RMM: 5 -0.328379868876E+03 0.52044E-04 -0.92708E-05 3782 0.257E-02 0.765E-02 RMM: 6 -0.328379845954E+03 0.22922E-04 -0.25209E-05 2570 0.150E-02 0.627E-02 RMM: 7 -0.328379860190E+03 -0.14236E-04 -0.84602E-05 3747 0.231E-02 6800 T= 6256. E= 0.67566024E+03 F= 0.62788913E+03 E0= 0.65637565E+03 EK= 0.50945E+02 SP= -.35E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326989426994E+03 0.13904E+01 -0.14528E-01 8512 0.231E+01 0.200E-01 RMM: 2 -0.327008269707E+03 -0.18843E-01 -0.14512E-01 5226 0.819E-01 0.908E-01 RMM: 3 -0.327001540657E+03 0.67291E-02 -0.13250E-02 5893 0.225E-01 0.164E-01 RMM: 4 -0.327001284290E+03 0.25637E-03 -0.77826E-04 4720 0.625E-02 0.128E-01 RMM: 5 -0.327001174595E+03 0.10969E-03 -0.11832E-04 3736 0.288E-02 0.671E-02 RMM: 6 -0.327001157119E+03 0.17476E-04 -0.30045E-05 2757 0.165E-02 6801 T= 6139. E= 0.67567038E+03 F= 0.62926783E+03 E0= 0.65774838E+03 EK= 0.49993E+02 SP= -.40E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325631028870E+03 0.13701E+01 -0.15541E-01 8136 0.228E+01 0.295E-01 RMM: 2 -0.325667228752E+03 -0.36200E-01 -0.20062E-01 4978 0.101E+00 0.162E+00 RMM: 3 -0.325648308129E+03 0.18921E-01 -0.22689E-02 5608 0.307E-01 0.305E-01 RMM: 4 -0.325647487274E+03 0.82086E-03 -0.17668E-03 5096 0.862E-02 0.116E-01 RMM: 5 -0.325647415869E+03 0.71405E-04 -0.22045E-04 4240 0.321E-02 0.983E-02 RMM: 6 -0.325647377807E+03 0.38063E-04 -0.47927E-05 3090 0.200E-02 0.837E-02 RMM: 7 -0.325647429131E+03 -0.51324E-04 -0.10380E-04 3866 0.253E-02 0.130E-01 RMM: 8 -0.325647321834E+03 0.10730E-03 -0.16713E-04 3888 0.289E-02 0.472E-02 RMM: 9 -0.325647315211E+03 0.66234E-05 -0.31284E-05 2698 0.154E-02 6802 T= 6026. E= 0.67568403E+03 F= 0.63062167E+03 E0= 0.65909681E+03 EK= 0.49075E+02 SP= -.44E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324497094792E+03 0.11502E+01 -0.14374E-01 8296 0.225E+01 0.330E-01 RMM: 2 -0.324531368349E+03 -0.34274E-01 -0.17393E-01 4989 0.941E-01 0.167E+00 RMM: 3 -0.324511083547E+03 0.20285E-01 -0.19535E-02 5580 0.295E-01 0.303E-01 RMM: 4 -0.324510429944E+03 0.65360E-03 -0.21052E-03 5064 0.103E-01 0.172E-01 RMM: 5 -0.324510333635E+03 0.96309E-04 -0.30683E-04 3911 0.413E-02 0.140E-01 RMM: 6 -0.324510207222E+03 0.12641E-03 -0.79940E-05 3577 0.255E-02 0.458E-02 RMM: 7 -0.324510212620E+03 -0.53982E-05 -0.26842E-05 2615 0.152E-02 6803 T= 5941. E= 0.67569579E+03 F= 0.63175878E+03 E0= 0.66023011E+03 EK= 0.48382E+02 SP= -.49E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323741598177E+03 0.76861E+00 -0.13027E-01 8216 0.223E+01 0.233E-01 RMM: 2 -0.323764424340E+03 -0.22826E-01 -0.15318E-01 5096 0.860E-01 0.115E+00 RMM: 3 -0.323754518179E+03 0.99062E-02 -0.15840E-02 5735 0.253E-01 0.239E-01 RMM: 4 -0.323754000245E+03 0.51793E-03 -0.10758E-03 4947 0.679E-02 0.915E-02 RMM: 5 -0.323753965494E+03 0.34752E-04 -0.13116E-04 4199 0.273E-02 0.884E-02 RMM: 6 -0.323753937518E+03 0.27976E-04 -0.28412E-05 2594 0.159E-02 0.682E-02 RMM: 7 -0.323753970113E+03 -0.32595E-04 -0.10388E-04 3895 0.253E-02 0.104E-01 RMM: 8 -0.323753901769E+03 0.68344E-04 -0.83252E-05 3732 0.227E-02 0.248E-02 RMM: 9 -0.323753910769E+03 -0.90005E-05 -0.16273E-05 2540 0.118E-02 6804 T= 5904. E= 0.67570136E+03 F= 0.63251508E+03 E0= 0.66098357E+03 EK= 0.48078E+02 SP= -.54E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323437049910E+03 0.31685E+00 -0.13243E-01 8288 0.223E+01 0.229E-01 RMM: 2 -0.323457898237E+03 -0.20848E-01 -0.15661E-01 4936 0.872E-01 0.102E+00 RMM: 3 -0.323450172118E+03 0.77261E-02 -0.16481E-02 5943 0.241E-01 0.194E-01 RMM: 4 -0.323449762540E+03 0.40958E-03 -0.10103E-03 4773 0.731E-02 0.148E-01 RMM: 5 -0.323449647260E+03 0.11528E-03 -0.17529E-04 3890 0.335E-02 0.917E-02 RMM: 6 -0.323449595029E+03 0.52231E-04 -0.46979E-05 3133 0.207E-02 0.421E-02 RMM: 7 -0.323449596966E+03 -0.19368E-05 -0.21054E-05 2521 0.139E-02 6805 T= 5924. E= 0.67569866E+03 F= 0.63281939E+03 E0= 0.66128476E+03 EK= 0.48238E+02 SP= -.59E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323541363113E+03 -0.91768E-01 -0.14215E-01 8576 0.226E+01 0.195E-01 RMM: 2 -0.323559864580E+03 -0.18501E-01 -0.15504E-01 5070 0.864E-01 0.809E-01 RMM: 3 -0.323554679685E+03 0.51849E-02 -0.15666E-02 6000 0.232E-01 0.185E-01 RMM: 4 -0.323554230617E+03 0.44907E-03 -0.80135E-04 5055 0.599E-02 0.979E-02 RMM: 5 -0.323554178847E+03 0.51769E-04 -0.98110E-05 3856 0.257E-02 0.761E-02 RMM: 6 -0.323554170174E+03 0.86739E-05 -0.26109E-05 2568 0.154E-02 6806 T= 5996. E= 0.67569005E+03 F= 0.63271482E+03 E0= 0.66117521E+03 EK= 0.48825E+02 SP= -.64E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323935481046E+03 -0.38130E+00 -0.15440E-01 8896 0.229E+01 0.303E-01 RMM: 2 -0.323967255799E+03 -0.31775E-01 -0.16539E-01 5138 0.894E-01 0.159E+00 RMM: 3 -0.323948995130E+03 0.18261E-01 -0.18058E-02 5432 0.296E-01 0.282E-01 RMM: 4 -0.323948445023E+03 0.55011E-03 -0.18471E-03 5204 0.807E-02 0.113E-01 RMM: 5 -0.323948377660E+03 0.67364E-04 -0.16635E-04 3952 0.329E-02 0.100E-01 RMM: 6 -0.323948344988E+03 0.32672E-04 -0.37011E-05 2865 0.179E-02 0.800E-02 RMM: 7 -0.323948387379E+03 -0.42391E-04 -0.83809E-05 3640 0.245E-02 0.113E-01 RMM: 8 -0.323948318693E+03 0.68686E-04 -0.12306E-04 3886 0.253E-02 0.504E-02 RMM: 9 -0.323948311221E+03 0.74717E-05 -0.32522E-05 2863 0.163E-02 6807 T= 6106. E= 0.67568077E+03 F= 0.63232068E+03 E0= 0.66077426E+03 EK= 0.49727E+02 SP= -.70E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324487866130E+03 -0.53955E+00 -0.17254E-01 8832 0.233E+01 0.366E-01 RMM: 2 -0.324525616586E+03 -0.37750E-01 -0.19529E-01 4979 0.100E+00 0.177E+00 RMM: 3 -0.324503995594E+03 0.21621E-01 -0.22657E-02 5508 0.326E-01 0.361E-01 RMM: 4 -0.324503058379E+03 0.93721E-03 -0.24942E-03 5192 0.107E-01 0.163E-01 RMM: 5 -0.324503025090E+03 0.33289E-04 -0.36636E-04 3943 0.442E-02 0.161E-01 RMM: 6 -0.324502859872E+03 0.16522E-03 -0.10053E-04 3750 0.279E-02 0.555E-02 RMM: 7 -0.324502882662E+03 -0.22790E-04 -0.56123E-05 3278 0.204E-02 0.809E-02 RMM: 8 -0.324502844896E+03 0.37766E-04 -0.48345E-05 3023 0.199E-02 0.327E-02 RMM: 9 -0.324502850388E+03 -0.54919E-05 -0.20937E-05 2555 0.130E-02 6808 T= 6240. E= 0.67567416E+03 F= 0.63176614E+03 E0= 0.66021034E+03 EK= 0.50816E+02 SP= -.76E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325111035243E+03 -0.60819E+00 -0.18212E-01 8784 0.237E+01 0.249E-01 RMM: 2 -0.325139613611E+03 -0.28578E-01 -0.18087E-01 5164 0.925E-01 0.133E+00 RMM: 3 -0.325126412171E+03 0.13201E-01 -0.17684E-02 5686 0.266E-01 0.228E-01 RMM: 4 -0.325125941270E+03 0.47090E-03 -0.12797E-03 5073 0.725E-02 0.105E-01 RMM: 5 -0.325125875197E+03 0.66073E-04 -0.15527E-04 4191 0.298E-02 0.896E-02 RMM: 6 -0.325125842428E+03 0.32769E-04 -0.30319E-05 2666 0.162E-02 0.685E-02 RMM: 7 -0.325125847720E+03 -0.52919E-05 -0.54346E-05 3215 0.201E-02 6809 T= 6385. E= 0.67567035E+03 F= 0.63114314E+03 E0= 0.65957843E+03 EK= 0.51998E+02 SP= -.82E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325760053101E+03 -0.63421E+00 -0.19110E-01 8864 0.240E+01 0.185E-01 RMM: 2 -0.325779674531E+03 -0.19621E-01 -0.16621E-01 5341 0.863E-01 0.790E-01 RMM: 3 -0.325774465587E+03 0.52089E-02 -0.13809E-02 5913 0.225E-01 0.187E-01 RMM: 4 -0.325774082596E+03 0.38299E-03 -0.74620E-04 4859 0.585E-02 0.104E-01 RMM: 5 -0.325774020090E+03 0.62506E-04 -0.95989E-05 3754 0.254E-02 0.787E-02 RMM: 6 -0.325774008540E+03 0.11550E-04 -0.30156E-05 2648 0.164E-02 6810 T= 6536. E= 0.67566840E+03 F= 0.63049498E+03 E0= 0.65892568E+03 EK= 0.53225E+02 SP= -.87E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326427994687E+03 -0.65397E+00 -0.18908E-01 8800 0.242E+01 0.347E-01 RMM: 2 -0.326471300781E+03 -0.43306E-01 -0.17824E-01 5118 0.928E-01 0.200E+00 RMM: 3 -0.326442555343E+03 0.28745E-01 -0.20067E-02 5398 0.324E-01 0.343E-01 RMM: 4 -0.326441756106E+03 0.79924E-03 -0.22753E-03 5320 0.912E-02 0.113E-01 RMM: 5 -0.326441687885E+03 0.68221E-04 -0.21502E-04 3997 0.326E-02 0.107E-01 RMM: 6 -0.326441640807E+03 0.47078E-04 -0.46926E-05 3073 0.194E-02 0.840E-02 RMM: 7 -0.326441683795E+03 -0.42988E-04 -0.83456E-05 3627 0.241E-02 0.120E-01 RMM: 8 -0.326441598824E+03 0.84971E-04 -0.18533E-04 3905 0.284E-02 0.542E-02 RMM: 9 -0.326441581960E+03 0.16864E-04 -0.29808E-05 2708 0.151E-02 6811 T= 6691. E= 0.67566758E+03 F= 0.62982741E+03 E0= 0.65825990E+03 EK= 0.54485E+02 SP= -.93E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327121645235E+03 -0.68005E+00 -0.17428E-01 8472 0.245E+01 0.374E-01 RMM: 2 -0.327173146131E+03 -0.51501E-01 -0.19368E-01 4830 0.992E-01 0.222E+00 RMM: 3 -0.327137433756E+03 0.35712E-01 -0.24517E-02 5415 0.354E-01 0.304E-01 RMM: 4 -0.327136864083E+03 0.56967E-03 -0.28148E-03 5401 0.108E-01 0.169E-01 RMM: 5 -0.327136795874E+03 0.68210E-04 -0.33385E-04 4013 0.391E-02 0.153E-01 RMM: 6 -0.327136643184E+03 0.15269E-03 -0.88377E-05 3625 0.258E-02 0.532E-02 RMM: 7 -0.327136664219E+03 -0.21035E-04 -0.52857E-05 3251 0.196E-02 0.807E-02 RMM: 8 -0.327136628799E+03 0.35421E-04 -0.64488E-05 3432 0.215E-02 0.314E-02 RMM: 9 -0.327136627820E+03 0.97817E-06 -0.16901E-05 2520 0.117E-02 6812 T= 6850. E= 0.67566698E+03 F= 0.62913236E+03 E0= 0.65757520E+03 EK= 0.55779E+02 SP= -.99E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327844386737E+03 -0.70776E+00 -0.15921E-01 7880 0.248E+01 0.236E-01 RMM: 2 -0.327872462484E+03 -0.28076E-01 -0.19338E-01 4861 0.100E+00 0.123E+00 RMM: 3 -0.327861455996E+03 0.11006E-01 -0.21394E-02 5801 0.287E-01 0.229E-01 RMM: 4 -0.327860863255E+03 0.59274E-03 -0.13144E-03 5061 0.777E-02 0.920E-02 RMM: 5 -0.327860815674E+03 0.47581E-04 -0.17019E-04 4586 0.289E-02 0.817E-02 RMM: 6 -0.327860782234E+03 0.33441E-04 -0.27039E-05 2600 0.156E-02 0.545E-02 RMM: 7 -0.327860787023E+03 -0.47890E-05 -0.30286E-05 2731 0.165E-02 6813 T= 7012. E= 0.67566510E+03 F= 0.62840820E+03 E0= 0.65686995E+03 EK= 0.57100E+02 SP= -.10E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328583656772E+03 -0.72287E+00 -0.14267E-01 7992 0.251E+01 0.205E-01 RMM: 2 -0.328605220070E+03 -0.21563E-01 -0.17494E-01 4844 0.953E-01 0.894E-01 RMM: 3 -0.328599229060E+03 0.59910E-02 -0.19700E-02 5982 0.263E-01 0.213E-01 RMM: 4 -0.328598641531E+03 0.58753E-03 -0.94991E-04 4988 0.685E-02 0.938E-02 RMM: 5 -0.328598595901E+03 0.45630E-04 -0.13012E-04 3983 0.305E-02 0.777E-02 RMM: 6 -0.328598576193E+03 0.19708E-04 -0.29119E-05 2592 0.157E-02 6814 T= 7175. E= 0.67566196E+03 F= 0.62767041E+03 E0= 0.65615819E+03 EK= 0.58427E+02 SP= -.11E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329294083086E+03 -0.69549E+00 -0.15170E-01 7696 0.254E+01 0.280E-01 RMM: 2 -0.329328664932E+03 -0.34582E-01 -0.20794E-01 4744 0.105E+00 0.152E+00 RMM: 3 -0.329312213391E+03 0.16452E-01 -0.24244E-02 5592 0.319E-01 0.269E-01 RMM: 4 -0.329311586282E+03 0.62711E-03 -0.17569E-03 5300 0.832E-02 0.117E-01 RMM: 5 -0.329311506960E+03 0.79322E-04 -0.19557E-04 4138 0.342E-02 0.951E-02 RMM: 6 -0.329311476316E+03 0.30645E-04 -0.40476E-05 2886 0.182E-02 0.852E-02 RMM: 7 -0.329311505290E+03 -0.28974E-04 -0.12515E-04 3890 0.278E-02 0.124E-01 RMM: 8 -0.329311403729E+03 0.10156E-03 -0.13924E-04 3888 0.291E-02 0.407E-02 RMM: 9 -0.329311409053E+03 -0.53243E-05 -0.32772E-05 2781 0.163E-02 6815 T= 7333. E= 0.67565761E+03 F= 0.62695758E+03 E0= 0.65547744E+03 EK= 0.59712E+02 SP= -.12E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329925339661E+03 -0.61394E+00 -0.15114E-01 7848 0.257E+01 0.357E-01 RMM: 2 -0.329961051266E+03 -0.35712E-01 -0.19327E-01 4807 0.103E+00 0.169E+00 RMM: 3 -0.329941351145E+03 0.19700E-01 -0.24376E-02 5530 0.335E-01 0.366E-01 RMM: 4 -0.329940494307E+03 0.85684E-03 -0.25472E-03 5275 0.110E-01 0.193E-01 RMM: 5 -0.329940388903E+03 0.10540E-03 -0.40379E-04 4068 0.479E-02 0.169E-01 RMM: 6 -0.329940208002E+03 0.18090E-03 -0.12105E-04 3820 0.301E-02 0.550E-02 RMM: 7 -0.329940228261E+03 -0.20258E-04 -0.48274E-05 3176 0.187E-02 0.833E-02 RMM: 8 -0.329940187042E+03 0.41219E-04 -0.40116E-05 2876 0.198E-02 0.323E-02 RMM: 9 -0.329940190398E+03 -0.33564E-05 -0.16864E-05 2517 0.115E-02 6816 T= 7477. E= 0.67565289E+03 F= 0.62632880E+03 E0= 0.65488383E+03 EK= 0.60888E+02 SP= -.12E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330402458828E+03 -0.46227E+00 -0.16752E-01 8224 0.260E+01 0.241E-01 RMM: 2 -0.330429572969E+03 -0.27114E-01 -0.20574E-01 4842 0.104E+00 0.112E+00 RMM: 3 -0.330420743073E+03 0.88299E-02 -0.24119E-02 5869 0.297E-01 0.239E-01 RMM: 4 -0.330420064764E+03 0.67831E-03 -0.13235E-03 4968 0.803E-02 0.129E-01 RMM: 5 -0.330419943715E+03 0.12105E-03 -0.18549E-04 3967 0.345E-02 0.880E-02 RMM: 6 -0.330419912225E+03 0.31490E-04 -0.35810E-05 2748 0.173E-02 0.713E-02 RMM: 7 -0.330419893510E+03 0.18715E-04 -0.41233E-05 2854 0.186E-02 6817 T= 7599. E= 0.67564980E+03 F= 0.62584910E+03 E0= 0.65443860E+03 EK= 0.61884E+02 SP= -.12E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330684596209E+03 -0.26468E+00 -0.18255E-01 8416 0.261E+01 0.228E-01 RMM: 2 -0.330712844993E+03 -0.28249E-01 -0.22362E-01 4911 0.107E+00 0.107E+00 RMM: 3 -0.330704412663E+03 0.84323E-02 -0.24824E-02 5929 0.297E-01 0.242E-01 RMM: 4 -0.330703675568E+03 0.73709E-03 -0.12422E-03 5042 0.765E-02 0.124E-01 RMM: 5 -0.330703589686E+03 0.85883E-04 -0.16662E-04 4365 0.326E-02 0.998E-02 RMM: 6 -0.330703570250E+03 0.19436E-04 -0.31141E-05 2586 0.161E-02 6818 T= 7692. E= 0.67564877E+03 F= 0.62556542E+03 E0= 0.65418758E+03 EK= 0.62643E+02 SP= -.13E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330754572305E+03 -0.50983E-01 -0.20174E-01 8416 0.262E+01 0.292E-01 RMM: 2 -0.330795005978E+03 -0.40434E-01 -0.24434E-01 4865 0.111E+00 0.162E+00 RMM: 3 -0.330775784319E+03 0.19222E-01 -0.27281E-02 5585 0.346E-01 0.297E-01 RMM: 4 -0.330775078396E+03 0.70592E-03 -0.21310E-03 5420 0.894E-02 0.141E-01 RMM: 5 -0.330774961246E+03 0.11715E-03 -0.20478E-04 4166 0.351E-02 0.109E-01 RMM: 6 -0.330774930498E+03 0.30748E-04 -0.36288E-05 2727 0.175E-02 0.105E-01 RMM: 7 -0.330774939685E+03 -0.91866E-05 -0.10519E-04 3865 0.266E-02 6819 T= 7754. E= 0.67564909E+03 F= 0.62549405E+03 E0= 0.65414616E+03 EK= 0.63142E+02 SP= -.13E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330626029667E+03 0.14890E+00 -0.21216E-01 8784 0.262E+01 0.412E-01 RMM: 2 -0.330675503395E+03 -0.49474E-01 -0.24199E-01 4805 0.113E+00 0.207E+00 RMM: 3 -0.330645945951E+03 0.29557E-01 -0.30406E-02 5496 0.386E-01 0.404E-01 RMM: 4 -0.330644831012E+03 0.11149E-02 -0.31862E-03 5402 0.117E-01 0.189E-01 RMM: 5 -0.330644814071E+03 0.16941E-04 -0.50715E-04 4274 0.524E-02 0.189E-01 RMM: 6 -0.330644583013E+03 0.23106E-03 -0.16476E-04 3877 0.339E-02 0.609E-02 RMM: 7 -0.330644597981E+03 -0.14967E-04 -0.43207E-05 3112 0.178E-02 6820 T= 7784. E= 0.67565129E+03 F= 0.62562439E+03 E0= 0.65430257E+03 EK= 0.63387E+02 SP= -.14E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330316537387E+03 0.32805E+00 -0.24896E-01 8472 0.262E+01 0.290E-01 RMM: 2 -0.330359898592E+03 -0.43361E-01 -0.28642E-01 4867 0.123E+00 0.158E+00 RMM: 3 -0.330341704049E+03 0.18195E-01 -0.29261E-02 5696 0.351E-01 0.280E-01 RMM: 4 -0.330340883074E+03 0.82098E-03 -0.20418E-03 5352 0.948E-02 0.135E-01 RMM: 5 -0.330340788877E+03 0.94197E-04 -0.25849E-04 4042 0.370E-02 0.994E-02 RMM: 6 -0.330340738502E+03 0.50375E-04 -0.53095E-05 3210 0.205E-02 0.700E-02 RMM: 7 -0.330340746052E+03 -0.75508E-05 -0.35141E-05 2735 0.165E-02 6821 T= 7786. E= 0.67565445E+03 F= 0.62592824E+03 E0= 0.65462669E+03 EK= 0.63401E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329878254090E+03 0.46248E+00 -0.23999E-01 9024 0.261E+01 0.214E-01 RMM: 2 -0.329906901671E+03 -0.28648E-01 -0.22789E-01 5068 0.106E+00 0.104E+00 RMM: 3 -0.329898298790E+03 0.86029E-02 -0.20811E-02 5821 0.289E-01 0.226E-01 RMM: 4 -0.329897733156E+03 0.56563E-03 -0.12305E-03 4957 0.768E-02 0.104E-01 RMM: 5 -0.329897689606E+03 0.43550E-04 -0.17112E-04 4126 0.342E-02 0.894E-02 RMM: 6 -0.329897645888E+03 0.43718E-04 -0.36972E-05 2888 0.180E-02 0.559E-02 RMM: 7 -0.329897654007E+03 -0.81199E-05 -0.35844E-05 2867 0.177E-02 6822 T= 7763. E= 0.67565708E+03 F= 0.62637134E+03 E0= 0.65508870E+03 EK= 0.63216E+02 SP= -.14E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329330695325E+03 0.56695E+00 -0.23739E-01 8752 0.260E+01 0.225E-01 RMM: 2 -0.329359806631E+03 -0.29111E-01 -0.23624E-01 5069 0.109E+00 0.103E+00 RMM: 3 -0.329351339742E+03 0.84669E-02 -0.21111E-02 5793 0.297E-01 0.226E-01 RMM: 4 -0.329350852495E+03 0.48725E-03 -0.13100E-03 5022 0.806E-02 0.136E-01 RMM: 5 -0.329350761063E+03 0.91432E-04 -0.20576E-04 3986 0.375E-02 0.102E-01 RMM: 6 -0.329350697828E+03 0.63235E-04 -0.57464E-05 3274 0.218E-02 0.510E-02 RMM: 7 -0.329350705451E+03 -0.76231E-05 -0.32230E-05 2646 0.169E-02 6823 T= 7720. E= 0.67566031E+03 F= 0.62691828E+03 E0= 0.65565275E+03 EK= 0.62869E+02 SP= -.14E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328725350398E+03 0.62535E+00 -0.21837E-01 8808 0.259E+01 0.219E-01 RMM: 2 -0.328751498866E+03 -0.26148E-01 -0.21017E-01 5187 0.103E+00 0.998E-01 RMM: 3 -0.328743384280E+03 0.81146E-02 -0.18254E-02 5816 0.278E-01 0.214E-01 RMM: 4 -0.328742938993E+03 0.44529E-03 -0.10922E-03 4869 0.737E-02 0.125E-01 RMM: 5 -0.328742860548E+03 0.78445E-04 -0.16369E-04 3954 0.348E-02 0.938E-02 RMM: 6 -0.328742813907E+03 0.46641E-04 -0.48199E-05 3117 0.202E-02 0.584E-02 RMM: 7 -0.328742829870E+03 -0.15963E-04 -0.38913E-05 2837 0.178E-02 6824 T= 7663. E= 0.67566396E+03 F= 0.62752616E+03 E0= 0.65627902E+03 EK= 0.62405E+02 SP= -.14E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328110781596E+03 0.63203E+00 -0.19899E-01 8728 0.258E+01 0.221E-01 RMM: 2 -0.328134543100E+03 -0.23762E-01 -0.18874E-01 5243 0.971E-01 0.981E-01 RMM: 3 -0.328126668774E+03 0.78743E-02 -0.16435E-02 5776 0.269E-01 0.224E-01 RMM: 4 -0.328126235886E+03 0.43289E-03 -0.10470E-03 4865 0.712E-02 0.116E-01 RMM: 5 -0.328126173799E+03 0.62088E-04 -0.15314E-04 3906 0.333E-02 0.928E-02 RMM: 6 -0.328126128790E+03 0.45008E-04 -0.42727E-05 3059 0.194E-02 0.525E-02 RMM: 7 -0.328126138339E+03 -0.95486E-05 -0.27186E-05 2594 0.160E-02 6825 T= 7599. E= 0.67566851E+03 F= 0.62814285E+03 E0= 0.65691613E+03 EK= 0.61880E+02 SP= -.14E+02 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327547288656E+03 0.57884E+00 -0.19029E-01 8616 0.256E+01 0.236E-01 RMM: 2 -0.327572633769E+03 -0.25345E-01 -0.19341E-01 5080 0.101E+00 0.107E+00 RMM: 3 -0.327563874170E+03 0.87596E-02 -0.19036E-02 5768 0.287E-01 0.227E-01 RMM: 4 -0.327563397681E+03 0.47649E-03 -0.11585E-03 4926 0.750E-02 0.129E-01 RMM: 5 -0.327563318388E+03 0.79293E-04 -0.16715E-04 3984 0.348E-02 0.979E-02 RMM: 6 -0.327563265972E+03 0.52416E-04 -0.45828E-05 3085 0.199E-02 0.588E-02 RMM: 7 -0.327563274805E+03 -0.88334E-05 -0.36878E-05 2740 0.178E-02 6826 T= 7535. E= 0.67567359E+03 F= 0.62870571E+03 E0= 0.65750262E+03 EK= 0.61360E+02 SP= -.14E+02 SK= 0.30E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327108262636E+03 0.45500E+00 -0.17026E-01 8632 0.255E+01 0.235E-01 RMM: 2 -0.327131435228E+03 -0.23173E-01 -0.16359E-01 5120 0.934E-01 0.111E+00 RMM: 3 -0.327122196473E+03 0.92388E-02 -0.16084E-02 5577 0.276E-01 0.259E-01 RMM: 4 -0.327121686321E+03 0.51015E-03 -0.11692E-03 4906 0.741E-02 0.107E-01 RMM: 5 -0.327121640953E+03 0.45367E-04 -0.15726E-04 3927 0.331E-02 0.978E-02 RMM: 6 -0.327121591863E+03 0.49090E-04 -0.41236E-05 3037 0.190E-02 0.590E-02 RMM: 7 -0.327121602355E+03 -0.10492E-04 -0.30676E-05 2637 0.171E-02 6827 T= 7480. E= 0.67567838E+03 F= 0.62914739E+03 E0= 0.65796991E+03 EK= 0.60914E+02 SP= -.14E+02 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326846103828E+03 0.27549E+00 -0.15660E-01 8312 0.254E+01 0.242E-01 RMM: 2 -0.326868339200E+03 -0.22235E-01 -0.15640E-01 5037 0.934E-01 0.112E+00 RMM: 3 -0.326859401007E+03 0.89382E-02 -0.16919E-02 5638 0.280E-01 0.243E-01 RMM: 4 -0.326858939272E+03 0.46174E-03 -0.11680E-03 4856 0.745E-02 0.116E-01 RMM: 5 -0.326858881709E+03 0.57562E-04 -0.16171E-04 3935 0.337E-02 0.100E-01 RMM: 6 -0.326858825446E+03 0.56263E-04 -0.42665E-05 3051 0.193E-02 0.526E-02 RMM: 7 -0.326858830629E+03 -0.51829E-05 -0.25082E-05 2580 0.156E-02 6828 T= 7442. E= 0.67568144E+03 F= 0.62941016E+03 E0= 0.65826007E+03 EK= 0.60603E+02 SP= -.14E+02 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326792207028E+03 0.66618E-01 -0.14965E-01 8000 0.253E+01 0.201E-01 RMM: 2 -0.326810428600E+03 -0.18222E-01 -0.13885E-01 5053 0.875E-01 0.921E-01 RMM: 3 -0.326804056996E+03 0.63716E-02 -0.14507E-02 5731 0.251E-01 0.217E-01 RMM: 4 -0.326803647505E+03 0.40949E-03 -0.88477E-04 4833 0.665E-02 0.102E-01 RMM: 5 -0.326803598050E+03 0.49455E-04 -0.12456E-04 3840 0.305E-02 0.905E-02 RMM: 6 -0.326803555759E+03 0.42291E-04 -0.33487E-05 2832 0.176E-02 0.535E-02 RMM: 7 -0.326803559298E+03 -0.35387E-05 -0.28581E-05 2600 0.162E-02 6829 T= 7424. E= 0.67568075E+03 F= 0.62946543E+03 E0= 0.65834257E+03 EK= 0.60454E+02 SP= -.14E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326928331714E+03 -0.12478E+00 -0.14203E-01 7864 0.253E+01 0.217E-01 RMM: 2 -0.326944495148E+03 -0.16163E-01 -0.11851E-01 5041 0.825E-01 0.957E-01 RMM: 3 -0.326938063567E+03 0.64316E-02 -0.13044E-02 5749 0.239E-01 0.171E-01 RMM: 4 -0.326937811044E+03 0.25252E-03 -0.81549E-04 4750 0.631E-02 0.112E-01 RMM: 5 -0.326937754069E+03 0.56975E-04 -0.11725E-04 3785 0.297E-02 0.884E-02 RMM: 6 -0.326937708442E+03 0.45627E-04 -0.32929E-05 2839 0.175E-02 0.413E-02 RMM: 7 -0.326937711331E+03 -0.28887E-05 -0.20162E-05 2520 0.141E-02 6830 T= 7423. E= 0.67567745E+03 F= 0.62933128E+03 E0= 0.65823546E+03 EK= 0.60452E+02 SP= -.14E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327193692965E+03 -0.25598E+00 -0.14078E-01 8048 0.254E+01 0.178E-01 RMM: 2 -0.327207779700E+03 -0.14087E-01 -0.11850E-01 4949 0.824E-01 0.739E-01 RMM: 3 -0.327203839107E+03 0.39406E-02 -0.12944E-02 5923 0.224E-01 0.162E-01 RMM: 4 -0.327203568085E+03 0.27102E-03 -0.63733E-04 4691 0.599E-02 0.119E-01 RMM: 5 -0.327203479253E+03 0.88833E-04 -0.10783E-04 3708 0.296E-02 0.768E-02 RMM: 6 -0.327203448639E+03 0.30614E-04 -0.29920E-05 2683 0.167E-02 0.440E-02 RMM: 7 -0.327203446604E+03 0.20351E-05 -0.22279E-05 2530 0.144E-02 6831 T= 7434. E= 0.67567217E+03 F= 0.62906554E+03 E0= 0.65799503E+03 EK= 0.60539E+02 SP= -.14E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327509099168E+03 -0.30565E+00 -0.14669E-01 8008 0.255E+01 0.195E-01 RMM: 2 -0.327523679982E+03 -0.14581E-01 -0.11516E-01 5090 0.801E-01 0.833E-01 RMM: 3 -0.327518601943E+03 0.50780E-02 -0.11782E-02 5884 0.219E-01 0.168E-01 RMM: 4 -0.327518351629E+03 0.25031E-03 -0.67551E-04 4693 0.590E-02 0.117E-01 RMM: 5 -0.327518276667E+03 0.74962E-04 -0.10889E-04 3716 0.291E-02 0.827E-02 RMM: 6 -0.327518240562E+03 0.36105E-04 -0.31336E-05 2779 0.172E-02 0.443E-02 RMM: 7 -0.327518240479E+03 0.83495E-07 -0.22503E-05 2535 0.145E-02 6832 T= 7446. E= 0.67566702E+03 F= 0.62875075E+03 E0= 0.65770419E+03 EK= 0.60633E+02 SP= -.14E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327790076774E+03 -0.27184E+00 -0.14857E-01 7952 0.255E+01 0.188E-01 RMM: 2 -0.327804515607E+03 -0.14439E-01 -0.11998E-01 5176 0.797E-01 0.775E-01 RMM: 3 -0.327799879581E+03 0.46360E-02 -0.11360E-02 6039 0.208E-01 0.164E-01 RMM: 4 -0.327799638032E+03 0.24155E-03 -0.62649E-04 4659 0.585E-02 0.132E-01 RMM: 5 -0.327799525370E+03 0.11266E-03 -0.11000E-04 3741 0.289E-02 0.753E-02 RMM: 6 -0.327799498707E+03 0.26662E-04 -0.28485E-05 2705 0.165E-02 0.476E-02 RMM: 7 -0.327799496202E+03 0.25052E-05 -0.23210E-05 2555 0.144E-02 6833 T= 7448. E= 0.67566275E+03 F= 0.62846949E+03 E0= 0.65744417E+03 EK= 0.60654E+02 SP= -.14E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327970320570E+03 -0.17082E+00 -0.15037E-01 7976 0.255E+01 0.183E-01 RMM: 2 -0.327984755814E+03 -0.14435E-01 -0.11937E-01 5192 0.785E-01 0.769E-01 RMM: 3 -0.327980022812E+03 0.47330E-02 -0.11141E-02 6076 0.206E-01 0.167E-01 RMM: 4 -0.327979763152E+03 0.25966E-03 -0.60650E-04 4676 0.576E-02 0.123E-01 RMM: 5 -0.327979666914E+03 0.96238E-04 -0.10153E-04 3659 0.277E-02 0.774E-02 RMM: 6 -0.327979639640E+03 0.27274E-04 -0.28222E-05 2704 0.165E-02 0.490E-02 RMM: 7 -0.327979636686E+03 0.29538E-05 -0.26983E-05 2583 0.152E-02 6834 T= 7433. E= 0.67565977E+03 F= 0.62828935E+03 E0= 0.65728254E+03 EK= 0.60533E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328002503716E+03 -0.22864E-01 -0.15037E-01 7856 0.255E+01 0.189E-01 RMM: 2 -0.328017802527E+03 -0.15299E-01 -0.12530E-01 5083 0.811E-01 0.805E-01 RMM: 3 -0.328012828800E+03 0.49737E-02 -0.12652E-02 6097 0.213E-01 0.160E-01 RMM: 4 -0.328012545585E+03 0.28322E-03 -0.64090E-04 4685 0.604E-02 0.132E-01 RMM: 5 -0.328012435257E+03 0.11033E-03 -0.10861E-04 3716 0.286E-02 0.742E-02 RMM: 6 -0.328012409054E+03 0.26204E-04 -0.27991E-05 2713 0.164E-02 0.461E-02 RMM: 7 -0.328012408227E+03 0.82692E-06 -0.22825E-05 2545 0.143E-02 6835 T= 7396. E= 0.67565825E+03 F= 0.62825658E+03 E0= 0.65726370E+03 EK= 0.60227E+02 SP= -.13E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327862199848E+03 0.15021E+00 -0.14914E-01 7880 0.254E+01 0.173E-01 RMM: 2 -0.327875805296E+03 -0.13605E-01 -0.11418E-01 5210 0.767E-01 0.730E-01 RMM: 3 -0.327871518027E+03 0.42873E-02 -0.10572E-02 6101 0.197E-01 0.154E-01 RMM: 4 -0.327871283603E+03 0.23442E-03 -0.54240E-04 4641 0.553E-02 0.125E-01 RMM: 5 -0.327871181449E+03 0.10215E-03 -0.93357E-05 3576 0.265E-02 0.730E-02 RMM: 6 -0.327871157412E+03 0.24037E-04 -0.26339E-05 2658 0.159E-02 0.462E-02 RMM: 7 -0.327871154443E+03 0.29684E-05 -0.23865E-05 2561 0.141E-02 6836 T= 7333. E= 0.67565796E+03 F= 0.62839783E+03 E0= 0.65741351E+03 EK= 0.59712E+02 SP= -.13E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327535335547E+03 0.33582E+00 -0.14472E-01 7952 0.253E+01 0.183E-01 RMM: 2 -0.327549329046E+03 -0.13993E-01 -0.11115E-01 5142 0.763E-01 0.811E-01 RMM: 3 -0.327544393255E+03 0.49358E-02 -0.10783E-02 6063 0.199E-01 0.153E-01 RMM: 4 -0.327544146397E+03 0.24686E-03 -0.58596E-04 4679 0.575E-02 0.125E-01 RMM: 5 -0.327544054368E+03 0.92029E-04 -0.97528E-05 3622 0.270E-02 0.737E-02 RMM: 6 -0.327544027163E+03 0.27205E-04 -0.26213E-05 2666 0.160E-02 0.434E-02 RMM: 7 -0.327544026723E+03 0.43954E-06 -0.19630E-05 2521 0.132E-02 6837 T= 7243. E= 0.67565849E+03 F= 0.62872496E+03 E0= 0.65774153E+03 EK= 0.58980E+02 SP= -.12E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327018246096E+03 0.52578E+00 -0.13925E-01 7888 0.251E+01 0.164E-01 RMM: 2 -0.327031350750E+03 -0.13105E-01 -0.11347E-01 5130 0.766E-01 0.677E-01 RMM: 3 -0.327027679763E+03 0.36710E-02 -0.10939E-02 6114 0.196E-01 0.136E-01 RMM: 4 -0.327027460607E+03 0.21916E-03 -0.52081E-04 4608 0.545E-02 0.126E-01 RMM: 5 -0.327027360488E+03 0.10012E-03 -0.91259E-05 3566 0.272E-02 0.673E-02 RMM: 6 -0.327027339742E+03 0.20746E-04 -0.25485E-05 2607 0.154E-02 0.436E-02 RMM: 7 -0.327027336873E+03 0.28695E-05 -0.21121E-05 2533 0.134E-02 6838 T= 7126. E= 0.67565919E+03 F= 0.62924165E+03 E0= 0.65825137E+03 EK= 0.58032E+02 SP= -.12E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326313103565E+03 0.71424E+00 -0.13818E-01 7896 0.249E+01 0.181E-01 RMM: 2 -0.326326512068E+03 -0.13409E-01 -0.10254E-01 5183 0.735E-01 0.835E-01 RMM: 3 -0.326321434542E+03 0.50775E-02 -0.96409E-03 5970 0.191E-01 0.153E-01 RMM: 4 -0.326321212393E+03 0.22215E-03 -0.57460E-04 4682 0.553E-02 0.118E-01 RMM: 5 -0.326321136216E+03 0.76177E-04 -0.95734E-05 3600 0.263E-02 0.756E-02 RMM: 6 -0.326321105875E+03 0.30341E-04 -0.27532E-05 2713 0.163E-02 0.404E-02 RMM: 7 -0.326321106611E+03 -0.73598E-06 -0.18138E-05 2514 0.125E-02 6839 T= 6984. E= 0.67566048E+03 F= 0.62994788E+03 E0= 0.65894235E+03 EK= 0.56878E+02 SP= -.12E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325421677766E+03 0.89943E+00 -0.13737E-01 7752 0.247E+01 0.169E-01 RMM: 2 -0.325435137802E+03 -0.13460E-01 -0.11496E-01 5009 0.777E-01 0.701E-01 RMM: 3 -0.325431401692E+03 0.37361E-02 -0.11875E-02 6043 0.201E-01 0.135E-01 RMM: 4 -0.325431154789E+03 0.24690E-03 -0.57004E-04 4668 0.561E-02 0.120E-01 RMM: 5 -0.325431065801E+03 0.88987E-04 -0.95873E-05 3621 0.278E-02 0.633E-02 RMM: 6 -0.325431046377E+03 0.19424E-04 -0.25634E-05 2594 0.153E-02 6840 T= 6819. E= 0.67566255E+03 F= 0.63083794E+03 E0= 0.65980982E+03 EK= 0.55530E+02 SP= -.11E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324362542665E+03 0.10685E+01 -0.12965E-01 7568 0.244E+01 0.163E-01 RMM: 2 -0.324375012387E+03 -0.12470E-01 -0.94551E-02 5229 0.691E-01 0.777E-01 RMM: 3 -0.324370363343E+03 0.46490E-02 -0.85973E-03 5808 0.184E-01 0.143E-01 RMM: 4 -0.324370196486E+03 0.16686E-03 -0.50330E-04 4557 0.487E-02 0.102E-01 RMM: 5 -0.324370118735E+03 0.77752E-04 -0.70292E-05 3500 0.229E-02 0.575E-02 RMM: 6 -0.324370110117E+03 0.86181E-05 -0.23893E-05 2557 0.146E-02 6841 T= 6633. E= 0.67566577E+03 F= 0.63189888E+03 E0= 0.66084279E+03 EK= 0.54012E+02 SP= -.11E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323157968240E+03 0.12122E+01 -0.12468E-01 7616 0.241E+01 0.287E-01 RMM: 2 -0.323184806440E+03 -0.26838E-01 -0.97796E-02 5120 0.747E-01 0.168E+00 RMM: 3 -0.323165296519E+03 0.19510E-01 -0.12348E-02 5430 0.258E-01 0.225E-01 RMM: 4 -0.323164942752E+03 0.35377E-03 -0.13066E-03 4706 0.745E-02 0.942E-02 RMM: 5 -0.323164934663E+03 0.80893E-05 -0.16203E-04 3917 0.308E-02 6842 T= 6430. E= 0.67567137E+03 F= 0.63310405E+03 E0= 0.66201654E+03 EK= 0.52360E+02 SP= -.10E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321855031422E+03 0.13099E+01 -0.11918E-01 7728 0.238E+01 0.226E-01 RMM: 2 -0.321873385175E+03 -0.18354E-01 -0.93141E-02 5269 0.706E-01 0.124E+00 RMM: 3 -0.321862559249E+03 0.10826E-01 -0.95837E-03 5494 0.216E-01 0.253E-01 RMM: 4 -0.321862099235E+03 0.46001E-03 -0.97748E-04 4674 0.667E-02 0.874E-02 RMM: 5 -0.321862062255E+03 0.36979E-04 -0.12397E-04 3906 0.282E-02 0.779E-02 RMM: 6 -0.321862029375E+03 0.32880E-04 -0.24029E-05 2581 0.146E-02 0.530E-02 RMM: 7 -0.321862038450E+03 -0.90748E-05 -0.38093E-05 2932 0.180E-02 6843 T= 6217. E= 0.67567808E+03 F= 0.63440695E+03 E0= 0.66328627E+03 EK= 0.50629E+02 SP= -.98E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320521487101E+03 0.13405E+01 -0.11299E-01 7600 0.234E+01 0.246E-01 RMM: 2 -0.320536985818E+03 -0.15499E-01 -0.89397E-02 5038 0.710E-01 0.112E+00 RMM: 3 -0.320528427651E+03 0.85582E-02 -0.10310E-02 5595 0.218E-01 0.203E-01 RMM: 4 -0.320528213889E+03 0.21376E-03 -0.95624E-04 4660 0.674E-02 0.144E-01 RMM: 5 -0.320528144951E+03 0.68938E-04 -0.16524E-04 3849 0.317E-02 0.111E-01 RMM: 6 -0.320528065583E+03 0.79368E-04 -0.54578E-05 3279 0.224E-02 0.241E-02 RMM: 7 -0.320528066025E+03 -0.44235E-06 -0.11634E-05 2492 0.104E-02 6844 T= 6004. E= 0.67568485E+03 F= 0.63574092E+03 E0= 0.66458773E+03 EK= 0.48891E+02 SP= -.93E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319234696398E+03 0.12934E+01 -0.11125E-01 7816 0.230E+01 0.183E-01 RMM: 2 -0.319248466493E+03 -0.13770E-01 -0.99750E-02 5125 0.730E-01 0.871E-01 RMM: 3 -0.319243095645E+03 0.53708E-02 -0.10415E-02 5874 0.195E-01 0.160E-01 RMM: 4 -0.319242809268E+03 0.28638E-03 -0.59989E-04 4740 0.549E-02 0.102E-01 RMM: 5 -0.319242738761E+03 0.70507E-04 -0.92113E-05 3660 0.253E-02 0.696E-02 RMM: 6 -0.319242712010E+03 0.26751E-04 -0.24596E-05 2561 0.151E-02 0.440E-02 RMM: 7 -0.319242708833E+03 0.31776E-05 -0.21175E-05 2517 0.135E-02 6845 T= 5800. E= 0.67569180E+03 F= 0.63702628E+03 E0= 0.66584267E+03 EK= 0.47233E+02 SP= -.89E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318080523222E+03 0.11622E+01 -0.11615E-01 7824 0.227E+01 0.163E-01 RMM: 2 -0.318093904957E+03 -0.13382E-01 -0.11143E-01 4886 0.774E-01 0.704E-01 RMM: 3 -0.318090208778E+03 0.36962E-02 -0.12455E-02 5973 0.205E-01 0.142E-01 RMM: 4 -0.318089910218E+03 0.29856E-03 -0.57268E-04 4821 0.538E-02 0.828E-02 RMM: 5 -0.318089879006E+03 0.31212E-04 -0.80449E-05 3572 0.246E-02 0.683E-02 RMM: 6 -0.318089854536E+03 0.24471E-04 -0.24121E-05 2563 0.154E-02 0.344E-02 RMM: 7 -0.318089858956E+03 -0.44206E-05 -0.14323E-05 2491 0.116E-02 6846 T= 5617. E= 0.67569827E+03 F= 0.63817913E+03 E0= 0.66696876E+03 EK= 0.45743E+02 SP= -.85E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317141448739E+03 0.94841E+00 -0.11468E-01 7952 0.223E+01 0.174E-01 RMM: 2 -0.317154014305E+03 -0.12566E-01 -0.10313E-01 4933 0.747E-01 0.727E-01 RMM: 3 -0.317150196567E+03 0.38177E-02 -0.11419E-02 6045 0.196E-01 0.135E-01 RMM: 4 -0.317149957857E+03 0.23871E-03 -0.57799E-04 4696 0.570E-02 0.126E-01 RMM: 5 -0.317149861503E+03 0.96355E-04 -0.99084E-05 3636 0.274E-02 0.664E-02 RMM: 6 -0.317149835750E+03 0.25752E-04 -0.24505E-05 2564 0.151E-02 0.329E-02 RMM: 7 -0.317149834303E+03 0.14471E-05 -0.13947E-05 2483 0.116E-02 6847 T= 5465. E= 0.67570392E+03 F= 0.63911915E+03 E0= 0.66788558E+03 EK= 0.44504E+02 SP= -.81E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316480575584E+03 0.66926E+00 -0.11633E-01 7744 0.221E+01 0.152E-01 RMM: 2 -0.316493411387E+03 -0.12836E-01 -0.11040E-01 4870 0.775E-01 0.645E-01 RMM: 3 -0.316490230247E+03 0.31811E-02 -0.12356E-02 6111 0.200E-01 0.130E-01 RMM: 4 -0.316489943621E+03 0.28663E-03 -0.50515E-04 4613 0.535E-02 0.945E-02 RMM: 5 -0.316489887025E+03 0.56596E-04 -0.74216E-05 3485 0.248E-02 0.600E-02 RMM: 6 -0.316489870815E+03 0.16210E-04 -0.23167E-05 2534 0.146E-02 6848 T= 5352. E= 0.67570802E+03 F= 0.63977912E+03 E0= 0.66852681E+03 EK= 0.43584E+02 SP= -.78E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316149875283E+03 0.34001E+00 -0.11024E-01 7584 0.219E+01 0.186E-01 RMM: 2 -0.316164102254E+03 -0.14227E-01 -0.99936E-02 4977 0.734E-01 0.896E-01 RMM: 3 -0.316158314020E+03 0.57882E-02 -0.10991E-02 5741 0.209E-01 0.173E-01 RMM: 4 -0.316158020613E+03 0.29341E-03 -0.67436E-04 4913 0.545E-02 0.826E-02 RMM: 5 -0.316157976963E+03 0.43650E-04 -0.84068E-05 3639 0.244E-02 0.655E-02 RMM: 6 -0.316157957148E+03 0.19815E-04 -0.22265E-05 2556 0.144E-02 6849 T= 5284. E= 0.67571067E+03 F= 0.64011103E+03 E0= 0.66884339E+03 EK= 0.43031E+02 SP= -.76E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316175500569E+03 -0.17524E-01 -0.10388E-01 7440 0.219E+01 0.313E-01 RMM: 2 -0.316204419644E+03 -0.28919E-01 -0.92262E-02 5080 0.743E-01 0.179E+00 RMM: 3 -0.316182336551E+03 0.22083E-01 -0.13427E-02 5400 0.278E-01 0.272E-01 RMM: 4 -0.316181784619E+03 0.55193E-03 -0.14979E-03 4729 0.800E-02 0.829E-02 RMM: 5 -0.316181767138E+03 0.17481E-04 -0.16731E-04 4020 0.296E-02 6850 T= 5265. E= 0.67571218E+03 F= 0.64008722E+03 E0= 0.66880682E+03 EK= 0.42872E+02 SP= -.73E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316561210228E+03 -0.37943E+00 -0.10208E-01 7504 0.219E+01 0.166E-01 RMM: 2 -0.316573618015E+03 -0.12408E-01 -0.79013E-02 5271 0.644E-01 0.883E-01 RMM: 3 -0.316567909077E+03 0.57089E-02 -0.75161E-03 5508 0.184E-01 0.198E-01 RMM: 4 -0.316567631068E+03 0.27801E-03 -0.68459E-04 4635 0.563E-02 0.911E-02 RMM: 5 -0.316567585304E+03 0.45764E-04 -0.90872E-05 3719 0.244E-02 0.707E-02 RMM: 6 -0.316567557327E+03 0.27977E-04 -0.19810E-05 2549 0.136E-02 0.491E-02 RMM: 7 -0.316567560080E+03 -0.27533E-05 -0.34594E-05 2740 0.175E-02 6851 T= 5294. E= 0.67571200E+03 F= 0.63970143E+03 E0= 0.66841052E+03 EK= 0.43112E+02 SP= -.72E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317296088485E+03 -0.72853E+00 -0.10035E-01 7512 0.220E+01 0.254E-01 RMM: 2 -0.317310613597E+03 -0.14525E-01 -0.94053E-02 4992 0.745E-01 0.104E+00 RMM: 3 -0.317303308705E+03 0.73049E-02 -0.10742E-02 5653 0.219E-01 0.201E-01 RMM: 4 -0.317303113714E+03 0.19499E-03 -0.10012E-03 4665 0.699E-02 0.169E-01 RMM: 5 -0.317302979295E+03 0.13442E-03 -0.16921E-04 3818 0.319E-02 0.980E-02 RMM: 6 -0.317302919819E+03 0.59476E-04 -0.44195E-05 3160 0.203E-02 0.255E-02 RMM: 7 -0.317302923340E+03 -0.35212E-05 -0.14499E-05 2495 0.115E-02 6852 T= 5371. E= 0.67570970E+03 F= 0.63896607E+03 E0= 0.66766599E+03 EK= 0.43735E+02 SP= -.70E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318349748659E+03 -0.10468E+01 -0.98105E-02 7768 0.222E+01 0.174E-01 RMM: 2 -0.318362482571E+03 -0.12734E-01 -0.89484E-02 5141 0.705E-01 0.864E-01 RMM: 3 -0.318357310115E+03 0.51725E-02 -0.92571E-03 5878 0.184E-01 0.136E-01 RMM: 4 -0.318357103386E+03 0.20673E-03 -0.54145E-04 4621 0.541E-02 0.111E-01 RMM: 5 -0.318357004705E+03 0.98682E-04 -0.87832E-05 3580 0.245E-02 0.601E-02 RMM: 6 -0.318356987415E+03 0.17290E-04 -0.20119E-05 2535 0.133E-02 6853 T= 5490. E= 0.67570670E+03 F= 0.63791200E+03 E0= 0.66660325E+03 EK= 0.44711E+02 SP= -.69E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319678336826E+03 -0.13213E+01 -0.10035E-01 7544 0.225E+01 0.199E-01 RMM: 2 -0.319692821500E+03 -0.14485E-01 -0.92867E-02 5023 0.726E-01 0.996E-01 RMM: 3 -0.319686073960E+03 0.67475E-02 -0.10450E-02 5607 0.214E-01 0.190E-01 RMM: 4 -0.319685769007E+03 0.30495E-03 -0.76785E-04 4999 0.554E-02 0.792E-02 RMM: 5 -0.319685722651E+03 0.46356E-04 -0.85128E-05 3635 0.249E-02 0.720E-02 RMM: 6 -0.319685694701E+03 0.27950E-04 -0.25469E-05 2555 0.152E-02 0.553E-02 RMM: 7 -0.319685712591E+03 -0.17890E-04 -0.69453E-05 3676 0.222E-02 6854 T= 5648. E= 0.67570205E+03 F= 0.63658328E+03 E0= 0.66526714E+03 EK= 0.45991E+02 SP= -.69E+01 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321227585165E+03 -0.15419E+01 -0.10117E-01 7616 0.228E+01 0.271E-01 RMM: 2 -0.321243971970E+03 -0.16387E-01 -0.91613E-02 5000 0.753E-01 0.119E+00 RMM: 3 -0.321234464899E+03 0.95071E-02 -0.10886E-02 5484 0.236E-01 0.254E-01 RMM: 4 -0.321234123710E+03 0.34119E-03 -0.12697E-03 4703 0.789E-02 0.159E-01 RMM: 5 -0.321234033905E+03 0.89805E-04 -0.21846E-04 3888 0.375E-02 0.121E-01 RMM: 6 -0.321233938506E+03 0.95399E-04 -0.59272E-05 3345 0.232E-02 0.310E-02 RMM: 7 -0.321233938070E+03 0.43569E-06 -0.17046E-05 2513 0.124E-02 6855 T= 5835. E= 0.67569664E+03 F= 0.63503505E+03 E0= 0.66371292E+03 EK= 0.47517E+02 SP= -.69E+01 SK= 0.80E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.322926922851E+03 -0.16930E+01 -0.11026E-01 7624 0.231E+01 0.198E-01 RMM: 2 -0.322943187491E+03 -0.16265E-01 -0.10976E-01 4909 0.800E-01 0.100E+00 RMM: 3 -0.322936314901E+03 0.68726E-02 -0.12567E-02 5713 0.225E-01 0.171E-01 RMM: 4 -0.322936009665E+03 0.30524E-03 -0.76912E-04 4839 0.602E-02 0.958E-02 RMM: 5 -0.322935944433E+03 0.65233E-04 -0.10847E-04 3807 0.279E-02 0.738E-02 RMM: 6 -0.322935914793E+03 0.29639E-04 -0.28325E-05 2582 0.161E-02 0.465E-02 RMM: 7 -0.322935910280E+03 0.45132E-05 -0.22408E-05 2557 0.134E-02 6856 T= 6044. E= 0.67569116E+03 F= 0.63333308E+03 E0= 0.66200555E+03 EK= 0.49220E+02 SP= -.69E+01 SK= 0.46E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324712830033E+03 -0.17769E+01 -0.10622E-01 7624 0.235E+01 0.169E-01 RMM: 2 -0.324724998284E+03 -0.12168E-01 -0.96853E-02 4781 0.764E-01 0.737E-01 RMM: 3 -0.324721236526E+03 0.37618E-02 -0.11653E-02 5883 0.209E-01 0.143E-01 RMM: 4 -0.324720978602E+03 0.25792E-03 -0.58778E-04 4823 0.553E-02 0.903E-02 RMM: 5 -0.324720931440E+03 0.47162E-04 -0.87241E-05 3606 0.275E-02 0.633E-02 RMM: 6 -0.324720911186E+03 0.20254E-04 -0.23733E-05 2548 0.145E-02 0.392E-02 RMM: 7 -0.324720911574E+03 -0.38802E-06 -0.18636E-05 2517 0.132E-02 6857 T= 6265. E= 0.67568538E+03 F= 0.63154808E+03 E0= 0.66021692E+03 EK= 0.51022E+02 SP= -.69E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326505427614E+03 -0.17845E+01 -0.11336E-01 7632 0.239E+01 0.176E-01 RMM: 2 -0.326519264769E+03 -0.13837E-01 -0.11773E-01 4715 0.849E-01 0.718E-01 RMM: 3 -0.326515797275E+03 0.34675E-02 -0.14291E-02 6017 0.220E-01 0.138E-01 RMM: 4 -0.326515531788E+03 0.26549E-03 -0.73533E-04 4737 0.683E-02 0.132E-01 RMM: 5 -0.326515411247E+03 0.12054E-03 -0.12648E-04 3807 0.324E-02 0.600E-02 RMM: 6 -0.326515393299E+03 0.17948E-04 -0.26900E-05 2584 0.152E-02 6858 T= 6489. E= 0.67567980E+03 F= 0.62975360E+03 E0= 0.65841961E+03 EK= 0.52843E+02 SP= -.69E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328232229680E+03 -0.17168E+01 -0.12806E-01 7664 0.242E+01 0.154E-01 RMM: 2 -0.328246897024E+03 -0.14667E-01 -0.12426E-01 4711 0.866E-01 0.702E-01 RMM: 3 -0.328243485914E+03 0.34111E-02 -0.14947E-02 6051 0.224E-01 0.155E-01 RMM: 4 -0.328243112674E+03 0.37324E-03 -0.62565E-04 4792 0.615E-02 0.813E-02 RMM: 5 -0.328243064380E+03 0.48294E-04 -0.90399E-05 3713 0.290E-02 0.617E-02 RMM: 6 -0.328243049980E+03 0.14400E-04 -0.26397E-05 2538 0.154E-02 6859 T= 6705. E= 0.67567413E+03 F= 0.62802594E+03 E0= 0.65669058E+03 EK= 0.54599E+02 SP= -.70E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329817466661E+03 -0.15744E+01 -0.12155E-01 7816 0.246E+01 0.279E-01 RMM: 2 -0.329843301093E+03 -0.25834E-01 -0.99860E-02 4718 0.809E-01 0.160E+00 RMM: 3 -0.329825499611E+03 0.17801E-01 -0.14081E-02 5384 0.280E-01 0.257E-01 RMM: 4 -0.329825050355E+03 0.44926E-03 -0.14218E-03 4913 0.777E-02 0.837E-02 RMM: 5 -0.329825025551E+03 0.24804E-04 -0.17057E-04 3963 0.317E-02 0.878E-02 RMM: 6 -0.329824980651E+03 0.44899E-04 -0.35414E-05 2827 0.182E-02 0.390E-02 RMM: 7 -0.329824982673E+03 -0.20218E-05 -0.18201E-05 2508 0.133E-02 6860 T= 6901. E= 0.67566806E+03 F= 0.62644401E+03 E0= 0.65510985E+03 EK= 0.56201E+02 SP= -.70E+01 SK= 0.63E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331170661612E+03 -0.13457E+01 -0.12533E-01 7720 0.249E+01 0.235E-01 RMM: 2 -0.331191673907E+03 -0.21012E-01 -0.11024E-01 4861 0.806E-01 0.128E+00 RMM: 3 -0.331179974518E+03 0.11699E-01 -0.13663E-02 5474 0.251E-01 0.243E-01 RMM: 4 -0.331179550581E+03 0.42394E-03 -0.12438E-03 4848 0.771E-02 0.116E-01 RMM: 5 -0.331179495154E+03 0.55426E-04 -0.18402E-04 3873 0.354E-02 0.954E-02 RMM: 6 -0.331179435155E+03 0.60000E-04 -0.44535E-05 3099 0.198E-02 0.360E-02 RMM: 7 -0.331179435588E+03 -0.43379E-06 -0.18765E-05 2515 0.134E-02 6861 T= 7068. E= 0.67566268E+03 F= 0.62508955E+03 E0= 0.65375892E+03 EK= 0.57561E+02 SP= -.70E+01 SK= 0.13E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.332218652232E+03 -0.10392E+01 -0.12342E-01 7808 0.251E+01 0.168E-01 RMM: 2 -0.332233040316E+03 -0.14388E-01 -0.11192E-01 4758 0.820E-01 0.802E-01 RMM: 3 -0.332228619045E+03 0.44213E-02 -0.13369E-02 5812 0.222E-01 0.158E-01 RMM: 4 -0.332228333955E+03 0.28509E-03 -0.69051E-04 4759 0.619E-02 0.100E-01 RMM: 5 -0.332228263900E+03 0.70056E-04 -0.10733E-04 3761 0.310E-02 0.624E-02 RMM: 6 -0.332228246247E+03 0.17652E-04 -0.27464E-05 2553 0.154E-02 6862 T= 7195. E= 0.67565861E+03 F= 0.62404074E+03 E0= 0.65271581E+03 EK= 0.58593E+02 SP= -.70E+01 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332896260019E+03 -0.66800E+00 -0.12243E-01 7824 0.253E+01 0.179E-01 RMM: 2 -0.332911163910E+03 -0.14904E-01 -0.10541E-01 4833 0.782E-01 0.901E-01 RMM: 3 -0.332905478866E+03 0.56850E-02 -0.12700E-02 5681 0.223E-01 0.162E-01 RMM: 4 -0.332905189346E+03 0.28952E-03 -0.71686E-04 4816 0.592E-02 0.881E-02 RMM: 5 -0.332905138101E+03 0.51245E-04 -0.89048E-05 3783 0.270E-02 0.659E-02 RMM: 6 -0.332905125387E+03 0.12714E-04 -0.22667E-05 2522 0.142E-02 6863 T= 7273. E= 0.67565595E+03 F= 0.62336386E+03 E0= 0.65204651E+03 EK= 0.59224E+02 SP= -.69E+01 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333159539434E+03 -0.25440E+00 -0.12070E-01 7712 0.254E+01 0.260E-01 RMM: 2 -0.333180338591E+03 -0.20799E-01 -0.97950E-02 4844 0.772E-01 0.136E+00 RMM: 3 -0.333167550336E+03 0.12788E-01 -0.13213E-02 5404 0.263E-01 0.261E-01 RMM: 4 -0.333167071210E+03 0.47913E-03 -0.12635E-03 4812 0.740E-02 0.932E-02 RMM: 5 -0.333167028170E+03 0.43041E-04 -0.14872E-04 3893 0.316E-02 0.827E-02 RMM: 6 -0.333166991977E+03 0.36193E-04 -0.29332E-05 2578 0.164E-02 0.524E-02 RMM: 7 -0.333166992822E+03 -0.84568E-06 -0.21364E-05 2528 0.148E-02 6864 T= 7295. E= 0.67565497E+03 F= 0.62310200E+03 E0= 0.65179375E+03 EK= 0.59409E+02 SP= -.69E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332997624458E+03 0.16937E+00 -0.11854E-01 7816 0.254E+01 0.212E-01 RMM: 2 -0.333014121313E+03 -0.16497E-01 -0.92974E-02 4820 0.721E-01 0.111E+00 RMM: 3 -0.333005310068E+03 0.88112E-02 -0.11282E-02 5470 0.233E-01 0.219E-01 RMM: 4 -0.333005002791E+03 0.30728E-03 -0.10370E-03 4740 0.701E-02 0.117E-01 RMM: 5 -0.333004957367E+03 0.45424E-04 -0.15180E-04 3878 0.331E-02 0.975E-02 RMM: 6 -0.333004896746E+03 0.60621E-04 -0.42773E-05 3044 0.199E-02 0.364E-02 RMM: 7 -0.333004901012E+03 -0.42662E-05 -0.19798E-05 2535 0.139E-02 6865 T= 7262. E= 0.67565729E+03 F= 0.62326409E+03 E0= 0.65196518E+03 EK= 0.59139E+02 SP= -.68E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332442662982E+03 0.56223E+00 -0.12140E-01 7928 0.252E+01 0.184E-01 RMM: 2 -0.332458482180E+03 -0.15819E-01 -0.10983E-01 4779 0.767E-01 0.940E-01 RMM: 3 -0.332452051150E+03 0.64310E-02 -0.13042E-02 5796 0.225E-01 0.164E-01 RMM: 4 -0.332451759783E+03 0.29137E-03 -0.72249E-04 4924 0.581E-02 0.855E-02 RMM: 5 -0.332451708723E+03 0.51060E-04 -0.89825E-05 3726 0.266E-02 0.628E-02 RMM: 6 -0.332451691121E+03 0.17602E-04 -0.24274E-05 2555 0.148E-02 6866 T= 7178. E= 0.67566275E+03 F= 0.62381730E+03 E0= 0.65252589E+03 EK= 0.58450E+02 SP= -.66E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331571463680E+03 0.88025E+00 -0.12502E-01 7688 0.250E+01 0.193E-01 RMM: 2 -0.331588481474E+03 -0.17018E-01 -0.11297E-01 4875 0.779E-01 0.102E+00 RMM: 3 -0.331581066357E+03 0.74151E-02 -0.12976E-02 5735 0.229E-01 0.189E-01 RMM: 4 -0.331580711789E+03 0.35457E-03 -0.77297E-04 4921 0.593E-02 0.852E-02 RMM: 5 -0.331580663051E+03 0.48738E-04 -0.87626E-05 3798 0.254E-02 0.759E-02 RMM: 6 -0.331580642590E+03 0.20460E-04 -0.24884E-05 2554 0.151E-02 0.654E-02 RMM: 7 -0.331580660850E+03 -0.18259E-04 -0.72043E-05 3651 0.221E-02 6867 T= 7051. E= 0.67567004E+03 F= 0.62468833E+03 E0= 0.65340335E+03 EK= 0.57418E+02 SP= -.65E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330492210950E+03 0.10884E+01 -0.12371E-01 7608 0.247E+01 0.262E-01 RMM: 2 -0.330511531736E+03 -0.19321E-01 -0.11350E-01 4848 0.807E-01 0.122E+00 RMM: 3 -0.330501348673E+03 0.10183E-01 -0.13891E-02 5566 0.253E-01 0.249E-01 RMM: 4 -0.330500948869E+03 0.39980E-03 -0.13365E-03 4847 0.810E-02 0.144E-01 RMM: 5 -0.330500898820E+03 0.50048E-04 -0.21543E-04 3885 0.358E-02 0.123E-01 RMM: 6 -0.330500800922E+03 0.97899E-04 -0.58781E-05 3340 0.228E-02 0.354E-02 RMM: 7 -0.330500804601E+03 -0.36798E-05 -0.20689E-05 2537 0.140E-02 6868 T= 6896. E= 0.67567938E+03 F= 0.62576818E+03 E0= 0.65448904E+03 EK= 0.56161E+02 SP= -.63E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329332655232E+03 0.11681E+01 -0.12594E-01 7648 0.243E+01 0.207E-01 RMM: 2 -0.329349771907E+03 -0.17117E-01 -0.11926E-01 4988 0.820E-01 0.100E+00 RMM: 3 -0.329342755986E+03 0.70159E-02 -0.13608E-02 5758 0.232E-01 0.179E-01 RMM: 4 -0.329342417320E+03 0.33867E-03 -0.83353E-04 4851 0.636E-02 0.114E-01 RMM: 5 -0.329342322973E+03 0.94347E-04 -0.11877E-04 3906 0.290E-02 0.803E-02 RMM: 6 -0.329342295891E+03 0.27081E-04 -0.28674E-05 2575 0.159E-02 0.606E-02 RMM: 7 -0.329342283187E+03 0.12704E-04 -0.32450E-05 2628 0.164E-02 6869 T= 6731. E= 0.67568909E+03 F= 0.62692671E+03 E0= 0.65565424E+03 EK= 0.54813E+02 SP= -.61E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328225659502E+03 0.11166E+01 -0.12235E-01 7712 0.240E+01 0.189E-01 RMM: 2 -0.328240443280E+03 -0.14784E-01 -0.11441E-01 4810 0.810E-01 0.837E-01 RMM: 3 -0.328235581495E+03 0.48618E-02 -0.13834E-02 5823 0.227E-01 0.161E-01 RMM: 4 -0.328235280589E+03 0.30091E-03 -0.75386E-04 5002 0.595E-02 0.993E-02 RMM: 5 -0.328235230431E+03 0.50157E-04 -0.10779E-04 3779 0.289E-02 0.692E-02 RMM: 6 -0.328235205939E+03 0.24492E-04 -0.27039E-05 2584 0.157E-02 0.410E-02 RMM: 7 -0.328235211369E+03 -0.54304E-05 -0.18499E-05 2518 0.135E-02 6870 T= 6571. E= 0.67569725E+03 F= 0.62803378E+03 E0= 0.65676779E+03 EK= 0.53511E+02 SP= -.59E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327277468974E+03 0.95774E+00 -0.12518E-01 7624 0.237E+01 0.189E-01 RMM: 2 -0.327292189618E+03 -0.14721E-01 -0.12327E-01 4794 0.847E-01 0.764E-01 RMM: 3 -0.327288042352E+03 0.41473E-02 -0.14590E-02 5914 0.224E-01 0.163E-01 RMM: 4 -0.327287715540E+03 0.32681E-03 -0.78034E-04 4820 0.650E-02 0.120E-01 RMM: 5 -0.327287629796E+03 0.85743E-04 -0.13292E-04 3830 0.306E-02 0.780E-02 RMM: 6 -0.327287593193E+03 0.36603E-04 -0.33736E-05 2818 0.175E-02 0.343E-02 RMM: 7 -0.327287590873E+03 0.23199E-05 -0.14422E-05 2489 0.120E-02 6871 T= 6431. E= 0.67570287E+03 F= 0.62898140E+03 E0= 0.65772423E+03 EK= 0.52368E+02 SP= -.57E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326560309105E+03 0.72728E+00 -0.12010E-01 7680 0.235E+01 0.155E-01 RMM: 2 -0.326571718345E+03 -0.11409E-01 -0.90427E-02 4810 0.725E-01 0.725E-01 RMM: 3 -0.326568103612E+03 0.36147E-02 -0.10771E-02 5877 0.197E-01 0.139E-01 RMM: 4 -0.326567865994E+03 0.23762E-03 -0.52477E-04 4834 0.514E-02 0.793E-02 RMM: 5 -0.326567826953E+03 0.39040E-04 -0.77218E-05 3541 0.247E-02 0.579E-02 RMM: 6 -0.326567810316E+03 0.16637E-04 -0.24005E-05 2551 0.147E-02 6872 T= 6319. E= 0.67570623E+03 F= 0.62970118E+03 E0= 0.65845377E+03 EK= 0.51457E+02 SP= -.55E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326097727068E+03 0.47010E+00 -0.12183E-01 7552 0.234E+01 0.220E-01 RMM: 2 -0.326116161963E+03 -0.18435E-01 -0.10860E-01 4860 0.782E-01 0.114E+00 RMM: 3 -0.326106931030E+03 0.92309E-02 -0.13266E-02 5547 0.234E-01 0.230E-01 RMM: 4 -0.326106476081E+03 0.45495E-03 -0.10237E-03 4866 0.669E-02 0.726E-02 RMM: 5 -0.326106454602E+03 0.21479E-04 -0.13314E-04 4106 0.269E-02 0.710E-02 RMM: 6 -0.326106426539E+03 0.28063E-04 -0.23817E-05 2586 0.145E-02 0.449E-02 RMM: 7 -0.326106427769E+03 -0.12300E-05 -0.15354E-05 2501 0.124E-02 6873 T= 6240. E= 0.67570730E+03 F= 0.63016256E+03 E0= 0.65892511E+03 EK= 0.50811E+02 SP= -.53E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325898875614E+03 0.20755E+00 -0.11271E-01 7760 0.234E+01 0.223E-01 RMM: 2 -0.325914316559E+03 -0.15441E-01 -0.80570E-02 5005 0.684E-01 0.115E+00 RMM: 3 -0.325905136226E+03 0.91803E-02 -0.95163E-03 5457 0.214E-01 0.210E-01 RMM: 4 -0.325904853461E+03 0.28276E-03 -0.97280E-04 4683 0.670E-02 0.101E-01 RMM: 5 -0.325904831930E+03 0.21531E-04 -0.14074E-04 3879 0.292E-02 0.962E-02 RMM: 6 -0.325904770430E+03 0.61500E-04 -0.32450E-05 2922 0.175E-02 0.307E-02 RMM: 7 -0.325904771162E+03 -0.73237E-06 -0.14643E-05 2498 0.119E-02 6874 T= 6193. E= 0.67570725E+03 F= 0.63036422E+03 E0= 0.65913585E+03 EK= 0.50436E+02 SP= -.52E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325939934892E+03 -0.35164E-01 -0.11542E-01 7744 0.233E+01 0.202E-01 RMM: 2 -0.325955896726E+03 -0.15962E-01 -0.10372E-01 5028 0.742E-01 0.102E+00 RMM: 3 -0.325948552176E+03 0.73446E-02 -0.11833E-02 5693 0.212E-01 0.182E-01 RMM: 4 -0.325948222773E+03 0.32940E-03 -0.79292E-04 4943 0.587E-02 0.883E-02 RMM: 5 -0.325948171800E+03 0.50973E-04 -0.10297E-04 3803 0.255E-02 0.688E-02 RMM: 6 -0.325948145160E+03 0.26640E-04 -0.24640E-05 2609 0.148E-02 0.479E-02 RMM: 7 -0.325948142171E+03 0.29892E-05 -0.20215E-05 2539 0.134E-02 6875 T= 6179. E= 0.67570633E+03 F= 0.63032085E+03 E0= 0.65909963E+03 EK= 0.50317E+02 SP= -.50E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326204894513E+03 -0.25675E+00 -0.11323E-01 7984 0.233E+01 0.172E-01 RMM: 2 -0.326216638864E+03 -0.11744E-01 -0.88698E-02 5048 0.684E-01 0.784E-01 RMM: 3 -0.326212202530E+03 0.44363E-02 -0.97546E-03 5802 0.190E-01 0.147E-01 RMM: 4 -0.326211976634E+03 0.22590E-03 -0.58913E-04 4801 0.501E-02 0.832E-02 RMM: 5 -0.326211934522E+03 0.42113E-04 -0.72114E-05 3513 0.233E-02 0.625E-02 RMM: 6 -0.326211915879E+03 0.18643E-04 -0.21934E-05 2551 0.142E-02 6876 T= 6193. E= 0.67570483E+03 F= 0.63005707E+03 E0= 0.65884132E+03 EK= 0.50429E+02 SP= -.48E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326658885736E+03 -0.44695E+00 -0.11314E-01 7984 0.234E+01 0.190E-01 RMM: 2 -0.326672763335E+03 -0.13878E-01 -0.81011E-02 5119 0.644E-01 0.103E+00 RMM: 3 -0.326665457803E+03 0.73055E-02 -0.89388E-03 5580 0.197E-01 0.179E-01 RMM: 4 -0.326665218488E+03 0.23932E-03 -0.71432E-04 4812 0.539E-02 0.829E-02 RMM: 5 -0.326665166084E+03 0.52405E-04 -0.79475E-05 3699 0.220E-02 0.656E-02 RMM: 6 -0.326665150484E+03 0.15600E-04 -0.19058E-05 2534 0.131E-02 6877 T= 6231. E= 0.67570244E+03 F= 0.62960384E+03 E0= 0.65839182E+03 EK= 0.50740E+02 SP= -.47E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327264242258E+03 -0.59908E+00 -0.11385E-01 7776 0.235E+01 0.279E-01 RMM: 2 -0.327287411968E+03 -0.23170E-01 -0.86295E-02 5054 0.689E-01 0.155E+00 RMM: 3 -0.327271036567E+03 0.16375E-01 -0.12265E-02 5372 0.258E-01 0.320E-01 RMM: 4 -0.327270300676E+03 0.73589E-03 -0.13918E-03 4689 0.775E-02 0.740E-02 RMM: 5 -0.327270281173E+03 0.19503E-04 -0.16610E-04 4280 0.283E-02 6878 T= 6289. E= 0.67570019E+03 F= 0.62899871E+03 E0= 0.65779003E+03 EK= 0.51213E+02 SP= -.45E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327977015170E+03 -0.70671E+00 -0.11704E-01 7928 0.236E+01 0.214E-01 RMM: 2 -0.327994903417E+03 -0.17888E-01 -0.89829E-02 5097 0.670E-01 0.122E+00 RMM: 3 -0.327984504952E+03 0.10398E-01 -0.99389E-03 5425 0.215E-01 0.241E-01 RMM: 4 -0.327984072142E+03 0.43281E-03 -0.96742E-04 4695 0.648E-02 0.903E-02 RMM: 5 -0.327984033736E+03 0.38406E-04 -0.11170E-04 4030 0.254E-02 0.755E-02 RMM: 6 -0.327984005769E+03 0.27967E-04 -0.22128E-05 2567 0.141E-02 0.576E-02 RMM: 7 -0.327984032305E+03 -0.26536E-04 -0.59639E-05 3342 0.199E-02 0.991E-02 RMM: 8 -0.327983971624E+03 0.60681E-04 -0.11109E-04 3878 0.249E-02 0.359E-02 RMM: 9 -0.327983967141E+03 0.44833E-05 -0.16662E-05 2531 0.116E-02 6879 T= 6361. E= 0.67569704E+03 F= 0.62828502E+03 E0= 0.65708121E+03 EK= 0.51799E+02 SP= -.44E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328747747138E+03 -0.76378E+00 -0.12653E-01 7752 0.237E+01 0.216E-01 RMM: 2 -0.328761265972E+03 -0.13519E-01 -0.11278E-01 4757 0.770E-01 0.753E-01 RMM: 3 -0.328757133528E+03 0.41324E-02 -0.12848E-02 5935 0.208E-01 0.171E-01 RMM: 4 -0.328757139934E+03 -0.64061E-05 -0.95784E-04 4763 0.753E-02 0.243E-01 RMM: 5 -0.328756770365E+03 0.36957E-03 -0.24326E-04 3888 0.410E-02 0.872E-02 RMM: 6 -0.328756725490E+03 0.44876E-04 -0.56415E-05 3302 0.225E-02 0.354E-02 RMM: 7 -0.328756744358E+03 -0.18868E-04 -0.24200E-05 2570 0.150E-02 6880 T= 6441. E= 0.67569320E+03 F= 0.62751224E+03 E0= 0.65631566E+03 EK= 0.52448E+02 SP= -.43E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329526738304E+03 -0.77001E+00 -0.12618E-01 8120 0.238E+01 0.136E-01 RMM: 2 -0.329539050500E+03 -0.12312E-01 -0.10922E-01 4825 0.759E-01 0.590E-01 RMM: 3 -0.329536512243E+03 0.25383E-02 -0.12741E-02 6161 0.199E-01 0.126E-01 RMM: 4 -0.329536190776E+03 0.32147E-03 -0.48860E-04 4767 0.510E-02 0.723E-02 RMM: 5 -0.329536147315E+03 0.43461E-04 -0.64037E-05 3277 0.242E-02 0.511E-02 RMM: 6 -0.329536139614E+03 0.77010E-05 -0.21288E-05 2531 0.136E-02 6881 T= 6521. E= 0.67568975E+03 F= 0.62673285E+03 E0= 0.65554594E+03 EK= 0.53104E+02 SP= -.42E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330257341208E+03 -0.72119E+00 -0.13622E-01 7704 0.239E+01 0.181E-01 RMM: 2 -0.330276822578E+03 -0.19481E-01 -0.13807E-01 4779 0.847E-01 0.984E-01 RMM: 3 -0.330269446787E+03 0.73758E-02 -0.15141E-02 5707 0.233E-01 0.160E-01 RMM: 4 -0.330269102195E+03 0.34459E-03 -0.85485E-04 5122 0.611E-02 0.769E-02 RMM: 5 -0.330269064275E+03 0.37919E-04 -0.95496E-05 3803 0.268E-02 0.602E-02 RMM: 6 -0.330269049533E+03 0.14742E-04 -0.22873E-05 2542 0.142E-02 6882 T= 6596. E= 0.67568605E+03 F= 0.62599994E+03 E0= 0.65482684E+03 EK= 0.53712E+02 SP= -.41E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330895189310E+03 -0.62613E+00 -0.12911E-01 7872 0.240E+01 0.337E-01 RMM: 2 -0.330927960227E+03 -0.32771E-01 -0.12099E-01 4797 0.833E-01 0.183E+00 RMM: 3 -0.330904849060E+03 0.23111E-01 -0.17677E-02 5367 0.313E-01 0.351E-01 RMM: 4 -0.330903959081E+03 0.88998E-03 -0.19929E-03 5024 0.909E-02 0.794E-02 RMM: 5 -0.330903957305E+03 0.17763E-05 -0.22779E-04 4042 0.331E-02 0.102E-01 RMM: 6 -0.330903890985E+03 0.66321E-04 -0.41631E-05 3020 0.194E-02 0.391E-02 RMM: 7 -0.330903893160E+03 -0.21756E-05 -0.18264E-05 2513 0.129E-02 6883 T= 6658. E= 0.67568313E+03 F= 0.62536510E+03 E0= 0.65420848E+03 EK= 0.54217E+02 SP= -.39E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331388358636E+03 -0.48447E+00 -0.12503E-01 7960 0.241E+01 0.234E-01 RMM: 2 -0.331410038523E+03 -0.21680E-01 -0.10947E-01 4885 0.739E-01 0.132E+00 RMM: 3 -0.331397558656E+03 0.12480E-01 -0.12590E-02 5417 0.247E-01 0.249E-01 RMM: 4 -0.331397134723E+03 0.42393E-03 -0.12747E-03 4757 0.746E-02 0.104E-01 RMM: 5 -0.331397119305E+03 0.15418E-04 -0.17715E-04 3904 0.339E-02 6884 T= 6702. E= 0.67568161E+03 F= 0.62487187E+03 E0= 0.65373339E+03 EK= 0.54575E+02 SP= -.38E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331706436692E+03 -0.30930E+00 -0.12373E-01 8160 0.241E+01 0.160E-01 RMM: 2 -0.331721113639E+03 -0.14677E-01 -0.10727E-01 5065 0.720E-01 0.854E-01 RMM: 3 -0.331715646386E+03 0.54673E-02 -0.10755E-02 5730 0.201E-01 0.153E-01 RMM: 4 -0.331715391556E+03 0.25483E-03 -0.59408E-04 4879 0.511E-02 0.809E-02 RMM: 5 -0.331715346539E+03 0.45017E-04 -0.70814E-05 3488 0.237E-02 0.649E-02 RMM: 6 -0.331715334672E+03 0.11867E-04 -0.25076E-05 2551 0.148E-02 6885 T= 6723. E= 0.67568122E+03 F= 0.62455365E+03 E0= 0.65343442E+03 EK= 0.54750E+02 SP= -.37E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331832458064E+03 -0.11711E+00 -0.13207E-01 7920 0.241E+01 0.271E-01 RMM: 2 -0.331862569801E+03 -0.30112E-01 -0.12356E-01 4788 0.799E-01 0.167E+00 RMM: 3 -0.331842567026E+03 0.20003E-01 -0.15457E-02 5401 0.280E-01 0.226E-01 RMM: 4 -0.331842221563E+03 0.34546E-03 -0.16154E-03 5163 0.755E-02 0.880E-02 RMM: 5 -0.331842184103E+03 0.37460E-04 -0.15010E-04 3934 0.300E-02 0.815E-02 RMM: 6 -0.331842141959E+03 0.42144E-04 -0.28963E-05 2695 0.162E-02 0.384E-02 RMM: 7 -0.331842140822E+03 0.11366E-05 -0.14481E-05 2493 0.126E-02 6886 T= 6720. E= 0.67568176E+03 F= 0.62442685E+03 E0= 0.65332736E+03 EK= 0.54726E+02 SP= -.35E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331772603065E+03 0.69539E-01 -0.12738E-01 8264 0.240E+01 0.330E-01 RMM: 2 -0.331807292087E+03 -0.34689E-01 -0.10940E-01 5006 0.764E-01 0.194E+00 RMM: 3 -0.331780929374E+03 0.26363E-01 -0.15266E-02 5381 0.293E-01 0.294E-01 RMM: 4 -0.331780353228E+03 0.57615E-03 -0.18027E-03 4854 0.866E-02 0.116E-01 RMM: 5 -0.331780350173E+03 0.30546E-05 -0.23219E-04 3903 0.376E-02 0.125E-01 RMM: 6 -0.331780239973E+03 0.11020E-03 -0.63223E-05 3358 0.234E-02 0.372E-02 RMM: 7 -0.331780236112E+03 0.38613E-05 -0.17252E-05 2519 0.128E-02 6887 T= 6693. E= 0.67568355E+03 F= 0.62448875E+03 E0= 0.65340852E+03 EK= 0.54505E+02 SP= -.34E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331539514131E+03 0.24073E+00 -0.12943E-01 8240 0.239E+01 0.210E-01 RMM: 2 -0.331558508935E+03 -0.18995E-01 -0.11484E-01 4957 0.760E-01 0.112E+00 RMM: 3 -0.331549205578E+03 0.93034E-02 -0.12470E-02 5579 0.230E-01 0.195E-01 RMM: 4 -0.331548868619E+03 0.33696E-03 -0.93298E-04 4893 0.630E-02 0.780E-02 RMM: 5 -0.331548844242E+03 0.24378E-04 -0.11757E-04 3847 0.276E-02 0.722E-02 RMM: 6 -0.331548811706E+03 0.32535E-04 -0.24196E-05 2570 0.144E-02 0.407E-02 RMM: 7 -0.331548812741E+03 -0.10345E-05 -0.16972E-05 2497 0.132E-02 6888 T= 6645. E= 0.67568604E+03 F= 0.62472018E+03 E0= 0.65365926E+03 EK= 0.54110E+02 SP= -.32E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331170852675E+03 0.37796E+00 -0.12811E-01 8336 0.238E+01 0.185E-01 RMM: 2 -0.331186806699E+03 -0.15954E-01 -0.11929E-01 4941 0.769E-01 0.863E-01 RMM: 3 -0.331181070868E+03 0.57358E-02 -0.12556E-02 5861 0.216E-01 0.164E-01 RMM: 4 -0.331180781927E+03 0.28894E-03 -0.74358E-04 4792 0.589E-02 0.944E-02 RMM: 5 -0.331180741223E+03 0.40704E-04 -0.10569E-04 3782 0.269E-02 0.726E-02 RMM: 6 -0.331180708623E+03 0.32600E-04 -0.25237E-05 2575 0.152E-02 0.328E-02 RMM: 7 -0.331180709017E+03 -0.39357E-06 -0.12955E-05 2490 0.116E-02 6889 T= 6579. E= 0.67568878E+03 F= 0.62508828E+03 E0= 0.65404628E+03 EK= 0.53574E+02 SP= -.30E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330705162959E+03 0.47555E+00 -0.13268E-01 8232 0.236E+01 0.166E-01 RMM: 2 -0.330719267193E+03 -0.14104E-01 -0.11973E-01 5058 0.769E-01 0.694E-01 RMM: 3 -0.330715409149E+03 0.38580E-02 -0.11692E-02 6063 0.201E-01 0.136E-01 RMM: 4 -0.330715136708E+03 0.27244E-03 -0.56873E-04 4708 0.542E-02 0.100E-01 RMM: 5 -0.330715076617E+03 0.60091E-04 -0.86439E-05 3597 0.261E-02 0.640E-02 RMM: 6 -0.330715053282E+03 0.23336E-04 -0.23886E-05 2562 0.149E-02 0.358E-02 RMM: 7 -0.330715053059E+03 0.22312E-06 -0.17036E-05 2492 0.126E-02 6890 T= 6501. E= 0.67569200E+03 F= 0.62555394E+03 E0= 0.65453070E+03 EK= 0.52939E+02 SP= -.29E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330184952280E+03 0.53010E+00 -0.12662E-01 8528 0.235E+01 0.178E-01 RMM: 2 -0.330198534795E+03 -0.13583E-01 -0.10117E-01 5116 0.702E-01 0.825E-01 RMM: 3 -0.330193322416E+03 0.52124E-02 -0.94438E-03 5817 0.197E-01 0.138E-01 RMM: 4 -0.330193146351E+03 0.17606E-03 -0.59576E-04 4843 0.514E-02 0.917E-02 RMM: 5 -0.330193097645E+03 0.48707E-04 -0.78679E-05 3572 0.241E-02 0.631E-02 RMM: 6 -0.330193075353E+03 0.22291E-04 -0.23163E-05 2561 0.147E-02 0.347E-02 RMM: 7 -0.330193078258E+03 -0.29051E-05 -0.16049E-05 2498 0.122E-02 6891 T= 6416. E= 0.67569453E+03 F= 0.62607591E+03 E0= 0.65507024E+03 EK= 0.52250E+02 SP= -.27E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329641087668E+03 0.55199E+00 -0.12836E-01 8280 0.233E+01 0.172E-01 RMM: 2 -0.329653598538E+03 -0.12511E-01 -0.95901E-02 5185 0.680E-01 0.778E-01 RMM: 3 -0.329648960356E+03 0.46382E-02 -0.85076E-03 5970 0.181E-01 0.159E-01 RMM: 4 -0.329648718704E+03 0.24165E-03 -0.54848E-04 4637 0.528E-02 0.933E-02 RMM: 5 -0.329648668221E+03 0.50483E-04 -0.82629E-05 3541 0.243E-02 0.656E-02 RMM: 6 -0.329648643430E+03 0.24791E-04 -0.23706E-05 2591 0.154E-02 0.329E-02 RMM: 7 -0.329648644109E+03 -0.67907E-06 -0.14100E-05 2486 0.113E-02 6892 T= 6329. E= 0.67569621E+03 F= 0.62662035E+03 E0= 0.65563064E+03 EK= 0.51542E+02 SP= -.25E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329097894148E+03 0.55075E+00 -0.12474E-01 8312 0.232E+01 0.157E-01 RMM: 2 -0.329109216809E+03 -0.11323E-01 -0.91283E-02 5286 0.659E-01 0.691E-01 RMM: 3 -0.329105287895E+03 0.39289E-02 -0.76235E-03 5862 0.175E-01 0.124E-01 RMM: 4 -0.329105151644E+03 0.13625E-03 -0.47663E-04 4546 0.469E-02 0.923E-02 RMM: 5 -0.329105098086E+03 0.53558E-04 -0.65201E-05 3394 0.229E-02 0.613E-02 RMM: 6 -0.329105077203E+03 0.20883E-04 -0.22282E-05 2543 0.146E-02 0.343E-02 RMM: 7 -0.329105077466E+03 -0.26348E-06 -0.18684E-05 2499 0.129E-02 6893 T= 6244. E= 0.67569725E+03 F= 0.62716391E+03 E0= 0.65618805E+03 EK= 0.50844E+02 SP= -.24E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328570250263E+03 0.53483E+00 -0.11849E-01 8368 0.230E+01 0.160E-01 RMM: 2 -0.328581689274E+03 -0.11439E-01 -0.90310E-02 5205 0.663E-01 0.724E-01 RMM: 3 -0.328577643309E+03 0.40460E-02 -0.78334E-03 6056 0.173E-01 0.145E-01 RMM: 4 -0.328577439577E+03 0.20373E-03 -0.47258E-04 4508 0.497E-02 0.911E-02 RMM: 5 -0.328577390804E+03 0.48773E-04 -0.71888E-05 3448 0.235E-02 0.632E-02 RMM: 6 -0.328577368274E+03 0.22531E-04 -0.22778E-05 2563 0.150E-02 0.340E-02 RMM: 7 -0.328577368929E+03 -0.65494E-06 -0.15191E-05 2485 0.119E-02 6894 T= 6161. E= 0.67569790E+03 F= 0.62769162E+03 E0= 0.65672705E+03 EK= 0.50172E+02 SP= -.22E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328068808760E+03 0.50856E+00 -0.12005E-01 8432 0.229E+01 0.144E-01 RMM: 2 -0.328078120089E+03 -0.93113E-02 -0.79804E-02 5434 0.609E-01 0.592E-01 RMM: 3 -0.328075080595E+03 0.30395E-02 -0.56597E-03 5949 0.154E-01 0.105E-01 RMM: 4 -0.328075008729E+03 0.71866E-04 -0.37356E-04 4254 0.421E-02 0.104E-01 RMM: 5 -0.328074938285E+03 0.70444E-04 -0.57770E-05 3293 0.230E-02 0.529E-02 RMM: 6 -0.328074923768E+03 0.14517E-04 -0.19459E-05 2528 0.133E-02 6895 T= 6083. E= 0.67569908E+03 F= 0.62819407E+03 E0= 0.65723834E+03 EK= 0.49540E+02 SP= -.21E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327599673958E+03 0.47526E+00 -0.12116E-01 8184 0.228E+01 0.178E-01 RMM: 2 -0.327613243714E+03 -0.13570E-01 -0.91905E-02 5226 0.670E-01 0.906E-01 RMM: 3 -0.327607185922E+03 0.60578E-02 -0.83659E-03 5650 0.188E-01 0.191E-01 RMM: 4 -0.327606877881E+03 0.30804E-03 -0.61242E-04 4694 0.530E-02 0.746E-02 RMM: 5 -0.327606842236E+03 0.35645E-04 -0.74390E-05 3576 0.232E-02 0.601E-02 RMM: 6 -0.327606825442E+03 0.16793E-04 -0.20304E-05 2535 0.137E-02 6896 T= 6012. E= 0.67570063E+03 F= 0.62866216E+03 E0= 0.65771289E+03 EK= 0.48960E+02 SP= -.19E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327179702974E+03 0.42714E+00 -0.11351E-01 8224 0.228E+01 0.253E-01 RMM: 2 -0.327199826720E+03 -0.20124E-01 -0.85305E-02 5180 0.673E-01 0.140E+00 RMM: 3 -0.327186278060E+03 0.13549E-01 -0.10015E-02 5384 0.232E-01 0.256E-01 RMM: 4 -0.327185800760E+03 0.47730E-03 -0.10878E-03 4686 0.690E-02 0.793E-02 RMM: 5 -0.327185769108E+03 0.31652E-04 -0.11990E-04 4023 0.268E-02 0.755E-02 RMM: 6 -0.327185735978E+03 0.33130E-04 -0.22507E-05 2562 0.143E-02 0.485E-02 RMM: 7 -0.327185739155E+03 -0.31770E-05 -0.23429E-05 2546 0.152E-02 6897 T= 5949. E= 0.67570183E+03 F= 0.62908325E+03 E0= 0.65813779E+03 EK= 0.48444E+02 SP= -.18E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326822955830E+03 0.36278E+00 -0.11306E-01 8056 0.227E+01 0.241E-01 RMM: 2 -0.326840896237E+03 -0.17940E-01 -0.92698E-02 5092 0.699E-01 0.122E+00 RMM: 3 -0.326830277046E+03 0.10619E-01 -0.10469E-02 5414 0.229E-01 0.253E-01 RMM: 4 -0.326829859053E+03 0.41799E-03 -0.11791E-03 4723 0.745E-02 0.114E-01 RMM: 5 -0.326829869312E+03 -0.10259E-04 -0.18977E-04 3877 0.351E-02 6898 T= 5896. E= 0.67570385E+03 F= 0.62943912E+03 E0= 0.65849487E+03 EK= 0.48015E+02 SP= -.18E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326552126625E+03 0.27773E+00 -0.10956E-01 8104 0.226E+01 0.187E-01 RMM: 2 -0.326568936721E+03 -0.16810E-01 -0.94000E-02 5226 0.694E-01 0.114E+00 RMM: 3 -0.326559738358E+03 0.91984E-02 -0.92609E-03 5645 0.200E-01 0.144E-01 RMM: 4 -0.326559546926E+03 0.19143E-03 -0.66656E-04 4980 0.520E-02 0.924E-02 RMM: 5 -0.326559477860E+03 0.69066E-04 -0.73163E-05 3653 0.232E-02 0.628E-02 RMM: 6 -0.326559465193E+03 0.12667E-04 -0.21889E-05 2534 0.136E-02 6899 T= 5857. E= 0.67570685E+03 F= 0.62970952E+03 E0= 0.65876421E+03 EK= 0.47693E+02 SP= -.17E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326388999899E+03 0.17048E+00 -0.10998E-01 7800 0.226E+01 0.260E-01 RMM: 2 -0.326411834195E+03 -0.22834E-01 -0.99710E-02 4936 0.738E-01 0.145E+00 RMM: 3 -0.326397195005E+03 0.14639E-01 -0.13058E-02 5399 0.259E-01 0.267E-01 RMM: 4 -0.326396693315E+03 0.50169E-03 -0.13229E-03 4915 0.709E-02 0.751E-02 RMM: 5 -0.326396658573E+03 0.34743E-04 -0.13294E-04 3899 0.288E-02 0.731E-02 RMM: 6 -0.326396628020E+03 0.30553E-04 -0.25180E-05 2583 0.150E-02 0.452E-02 RMM: 7 -0.326396635286E+03 -0.72662E-05 -0.24084E-05 2535 0.155E-02 6900 T= 5833. E= 0.67570831E+03 F= 0.62987235E+03 E0= 0.65892171E+03 EK= 0.47501E+02 SP= -.17E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326355044906E+03 0.41583E-01 -0.10565E-01 7736 0.226E+01 0.341E-01 RMM: 2 -0.326383477056E+03 -0.28432E-01 -0.10169E-01 5058 0.778E-01 0.177E+00 RMM: 3 -0.326362563803E+03 0.20913E-01 -0.15026E-02 5406 0.291E-01 0.330E-01 RMM: 4 -0.326361809026E+03 0.75478E-03 -0.18582E-03 4855 0.909E-02 0.130E-01 RMM: 5 -0.326361818850E+03 -0.98244E-05 -0.27547E-04 3897 0.407E-02 0.145E-01 RMM: 6 -0.326361674202E+03 0.14465E-03 -0.86359E-05 3598 0.272E-02 0.338E-02 RMM: 7 -0.326361671491E+03 0.27113E-05 -0.16662E-05 2530 0.118E-02 6901 T= 5828. E= 0.67570926E+03 F= 0.62990732E+03 E0= 0.65894764E+03 EK= 0.47458E+02 SP= -.17E+01 SK= 0.22E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.326460949948E+03 -0.99276E-01 -0.11086E-01 7856 0.226E+01 0.229E-01 RMM: 2 -0.326480250175E+03 -0.19300E-01 -0.11477E-01 4941 0.793E-01 0.118E+00 RMM: 3 -0.326470641806E+03 0.96084E-02 -0.13406E-02 5530 0.244E-01 0.219E-01 RMM: 4 -0.326470234762E+03 0.40704E-03 -0.10898E-03 4917 0.666E-02 0.924E-02 RMM: 5 -0.326470185192E+03 0.49570E-04 -0.13374E-04 3905 0.297E-02 0.724E-02 RMM: 6 -0.326470151681E+03 0.33511E-04 -0.27197E-05 2622 0.154E-02 0.442E-02 RMM: 7 -0.326470155502E+03 -0.38212E-05 -0.23021E-05 2572 0.143E-02 6902 T= 5843. E= 0.67570984E+03 F= 0.62979883E+03 E0= 0.65882594E+03 EK= 0.47582E+02 SP= -.17E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326723478927E+03 -0.25333E+00 -0.10506E-01 7864 0.226E+01 0.190E-01 RMM: 2 -0.326736394718E+03 -0.12916E-01 -0.89512E-02 4970 0.715E-01 0.899E-01 RMM: 3 -0.326730971313E+03 0.54234E-02 -0.10344E-02 5741 0.206E-01 0.175E-01 RMM: 4 -0.326730686148E+03 0.28517E-03 -0.69415E-04 4796 0.567E-02 0.873E-02 RMM: 5 -0.326730650668E+03 0.35480E-04 -0.97724E-05 3692 0.258E-02 0.737E-02 RMM: 6 -0.326730619666E+03 0.31002E-04 -0.25287E-05 2604 0.155E-02 0.375E-02 RMM: 7 -0.326730620964E+03 -0.12982E-05 -0.15277E-05 2495 0.120E-02 6903 T= 5879. E= 0.67570902E+03 F= 0.62953837E+03 E0= 0.65854957E+03 EK= 0.47879E+02 SP= -.17E+01 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327130041848E+03 -0.39942E+00 -0.10615E-01 7760 0.227E+01 0.176E-01 RMM: 2 -0.327143022160E+03 -0.12980E-01 -0.10160E-01 4867 0.759E-01 0.790E-01 RMM: 3 -0.327138820749E+03 0.42014E-02 -0.12032E-02 5914 0.207E-01 0.154E-01 RMM: 4 -0.327138523573E+03 0.29718E-03 -0.65502E-04 4717 0.587E-02 0.109E-01 RMM: 5 -0.327138454012E+03 0.69561E-04 -0.10449E-04 3677 0.280E-02 0.705E-02 RMM: 6 -0.327138425147E+03 0.28865E-04 -0.26750E-05 2623 0.156E-02 0.372E-02 RMM: 7 -0.327138423837E+03 0.13101E-05 -0.17099E-05 2500 0.125E-02 6904 T= 5937. E= 0.67570724E+03 F= 0.62913057E+03 E0= 0.65812385E+03 EK= 0.48344E+02 SP= -.18E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327666082985E+03 -0.52766E+00 -0.10522E-01 7992 0.227E+01 0.166E-01 RMM: 2 -0.327677713508E+03 -0.11631E-01 -0.90572E-02 4969 0.718E-01 0.759E-01 RMM: 3 -0.327673778491E+03 0.39350E-02 -0.10193E-02 5855 0.194E-01 0.153E-01 RMM: 4 -0.327673511101E+03 0.26739E-03 -0.55554E-04 4792 0.524E-02 0.824E-02 RMM: 5 -0.327673470867E+03 0.40233E-04 -0.79797E-05 3548 0.249E-02 0.656E-02 RMM: 6 -0.327673448831E+03 0.22036E-04 -0.24289E-05 2562 0.151E-02 0.400E-02 RMM: 7 -0.327673447504E+03 0.13273E-05 -0.22633E-05 2524 0.141E-02 6905 T= 6012. E= 0.67570403E+03 F= 0.62859554E+03 E0= 0.65757077E+03 EK= 0.48955E+02 SP= -.19E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328291031641E+03 -0.61758E+00 -0.10674E-01 7912 0.229E+01 0.164E-01 RMM: 2 -0.328303184662E+03 -0.12153E-01 -0.97186E-02 4840 0.744E-01 0.741E-01 RMM: 3 -0.328299378377E+03 0.38063E-02 -0.11327E-02 5978 0.198E-01 0.150E-01 RMM: 4 -0.328299083336E+03 0.29504E-03 -0.58027E-04 4652 0.573E-02 0.969E-02 RMM: 5 -0.328299027718E+03 0.55618E-04 -0.92514E-05 3574 0.274E-02 0.645E-02 RMM: 6 -0.328299005251E+03 0.22467E-04 -0.24430E-05 2555 0.150E-02 0.338E-02 RMM: 7 -0.328299004807E+03 0.44395E-06 -0.15027E-05 2486 0.120E-02 6906 T= 6100. E= 0.67570012E+03 F= 0.62796998E+03 E0= 0.65692847E+03 EK= 0.49675E+02 SP= -.20E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328961248558E+03 -0.66224E+00 -0.10457E-01 7968 0.231E+01 0.149E-01 RMM: 2 -0.328970086047E+03 -0.88375E-02 -0.71729E-02 5095 0.635E-01 0.643E-01 RMM: 3 -0.328967085182E+03 0.30009E-02 -0.70440E-03 5871 0.169E-01 0.140E-01 RMM: 4 -0.328966908493E+03 0.17669E-03 -0.39771E-04 4482 0.455E-02 0.850E-02 RMM: 5 -0.328966856021E+03 0.52472E-04 -0.62796E-05 3347 0.234E-02 0.608E-02 RMM: 6 -0.328966837372E+03 0.18650E-04 -0.22306E-05 2540 0.144E-02 6907 T= 6196. E= 0.67569578E+03 F= 0.62730215E+03 E0= 0.65624615E+03 EK= 0.50453E+02 SP= -.21E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329615063699E+03 -0.64821E+00 -0.11310E-01 7984 0.233E+01 0.179E-01 RMM: 2 -0.329627968449E+03 -0.12905E-01 -0.92818E-02 4853 0.722E-01 0.850E-01 RMM: 3 -0.329622841503E+03 0.51269E-02 -0.10627E-02 5689 0.213E-01 0.156E-01 RMM: 4 -0.329622604379E+03 0.23712E-03 -0.66146E-04 4988 0.530E-02 0.751E-02 RMM: 5 -0.329622563693E+03 0.40686E-04 -0.70065E-05 3416 0.248E-02 0.614E-02 RMM: 6 -0.329622547393E+03 0.16300E-04 -0.22188E-05 2524 0.143E-02 6908 T= 6291. E= 0.67569179E+03 F= 0.62664644E+03 E0= 0.65557932E+03 EK= 0.51232E+02 SP= -.22E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330211121443E+03 -0.58856E+00 -0.11071E-01 7808 0.234E+01 0.281E-01 RMM: 2 -0.330233822021E+03 -0.22701E-01 -0.81589E-02 4958 0.699E-01 0.155E+00 RMM: 3 -0.330217382085E+03 0.16440E-01 -0.11697E-02 5405 0.259E-01 0.287E-01 RMM: 4 -0.330216778134E+03 0.60395E-03 -0.12827E-03 4705 0.763E-02 0.909E-02 RMM: 5 -0.330216746301E+03 0.31833E-04 -0.14971E-04 3904 0.310E-02 0.841E-02 RMM: 6 -0.330216701323E+03 0.44979E-04 -0.29012E-05 2626 0.165E-02 0.477E-02 RMM: 7 -0.330216700778E+03 0.54503E-06 -0.20696E-05 2526 0.145E-02 6909 T= 6381. E= 0.67568956E+03 F= 0.62605229E+03 E0= 0.65497734E+03 EK= 0.51960E+02 SP= -.24E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330710292084E+03 -0.49359E+00 -0.12043E-01 7736 0.236E+01 0.255E-01 RMM: 2 -0.330731215569E+03 -0.20923E-01 -0.95091E-02 4841 0.736E-01 0.139E+00 RMM: 3 -0.330717977902E+03 0.13238E-01 -0.12585E-02 5401 0.260E-01 0.268E-01 RMM: 4 -0.330717512496E+03 0.46541E-03 -0.13276E-03 4825 0.771E-02 0.110E-01 RMM: 5 -0.330717506707E+03 0.57884E-05 -0.19801E-04 3886 0.364E-02 6910 T= 6460. E= 0.67568901E+03 F= 0.62555148E+03 E0= 0.65447122E+03 EK= 0.52604E+02 SP= -.25E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331100175223E+03 -0.38266E+00 -0.12450E-01 7808 0.237E+01 0.163E-01 RMM: 2 -0.331114204575E+03 -0.14029E-01 -0.93739E-02 5130 0.694E-01 0.920E-01 RMM: 3 -0.331107970291E+03 0.62343E-02 -0.94051E-03 5592 0.202E-01 0.154E-01 RMM: 4 -0.331107777680E+03 0.19261E-03 -0.60753E-04 4862 0.517E-02 0.970E-02 RMM: 5 -0.331107708640E+03 0.69040E-04 -0.67807E-05 3445 0.234E-02 0.696E-02 RMM: 6 -0.331107694177E+03 0.14463E-04 -0.25094E-05 2531 0.149E-02 6911 T= 6526. E= 0.67569040E+03 F= 0.62516130E+03 E0= 0.65407732E+03 EK= 0.53141E+02 SP= -.27E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331382006666E+03 -0.27430E+00 -0.12097E-01 7568 0.238E+01 0.272E-01 RMM: 2 -0.331406237982E+03 -0.24231E-01 -0.94323E-02 4834 0.736E-01 0.156E+00 RMM: 3 -0.331389455611E+03 0.16782E-01 -0.13157E-02 5380 0.270E-01 0.249E-01 RMM: 4 -0.331389044415E+03 0.41120E-03 -0.13225E-03 4813 0.741E-02 0.928E-02 RMM: 5 -0.331389020538E+03 0.23877E-04 -0.15493E-04 3879 0.315E-02 0.925E-02 RMM: 6 -0.331388967931E+03 0.52607E-04 -0.33642E-05 2898 0.178E-02 0.407E-02 RMM: 7 -0.331388966164E+03 0.17667E-05 -0.14273E-05 2497 0.124E-02 6912 T= 6578. E= 0.67569190E+03 F= 0.62488002E+03 E0= 0.65379305E+03 EK= 0.53571E+02 SP= -.28E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331569204490E+03 -0.18024E+00 -0.12228E-01 7840 0.238E+01 0.370E-01 RMM: 2 -0.331607916331E+03 -0.38712E-01 -0.11209E-01 4985 0.817E-01 0.211E+00 RMM: 3 -0.331577558643E+03 0.30358E-01 -0.17272E-02 5385 0.316E-01 0.332E-01 RMM: 4 -0.331576819005E+03 0.73964E-03 -0.21423E-03 5017 0.972E-02 0.145E-01 RMM: 5 -0.331576810245E+03 0.87603E-05 -0.29537E-04 3915 0.416E-02 0.145E-01 RMM: 6 -0.331576660397E+03 0.14985E-03 -0.82318E-05 3562 0.263E-02 0.381E-02 RMM: 7 -0.331576653666E+03 0.67309E-05 -0.17373E-05 2531 0.123E-02 6913 T= 6619. E= 0.67569387E+03 F= 0.62469234E+03 E0= 0.65360093E+03 EK= 0.53905E+02 SP= -.29E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331685280118E+03 -0.10862E+00 -0.12154E-01 7752 0.239E+01 0.247E-01 RMM: 2 -0.331705856506E+03 -0.20576E-01 -0.97526E-02 5086 0.734E-01 0.136E+00 RMM: 3 -0.331693051883E+03 0.12805E-01 -0.11193E-02 5482 0.237E-01 0.233E-01 RMM: 4 -0.331692650473E+03 0.40141E-03 -0.10744E-03 4707 0.689E-02 0.921E-02 RMM: 5 -0.331692614483E+03 0.35990E-04 -0.14046E-04 3878 0.301E-02 0.808E-02 RMM: 6 -0.331692571693E+03 0.42790E-04 -0.30395E-05 2758 0.170E-02 0.420E-02 RMM: 7 -0.331692573063E+03 -0.13701E-05 -0.18101E-05 2518 0.133E-02 6914 T= 6651. E= 0.67569581E+03 F= 0.62457642E+03 E0= 0.65347853E+03 EK= 0.54164E+02 SP= -.31E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331752305349E+03 -0.59734E-01 -0.12342E-01 8080 0.239E+01 0.198E-01 RMM: 2 -0.331766724084E+03 -0.14419E-01 -0.97436E-02 5048 0.724E-01 0.945E-01 RMM: 3 -0.331760421045E+03 0.63030E-02 -0.10206E-02 5781 0.204E-01 0.185E-01 RMM: 4 -0.331760141417E+03 0.27963E-03 -0.74593E-04 4651 0.615E-02 0.106E-01 RMM: 5 -0.331760086004E+03 0.55413E-04 -0.11028E-04 3729 0.279E-02 0.746E-02 RMM: 6 -0.331760052012E+03 0.33993E-04 -0.25546E-05 2627 0.157E-02 0.317E-02 RMM: 7 -0.331760051584E+03 0.42712E-06 -0.13382E-05 2484 0.116E-02 6915 T= 6676. E= 0.67569772E+03 F= 0.62450894E+03 E0= 0.65340118E+03 EK= 0.54368E+02 SP= -.32E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331790307842E+03 -0.30256E-01 -0.12884E-01 7912 0.239E+01 0.172E-01 RMM: 2 -0.331805078570E+03 -0.14771E-01 -0.11991E-01 4970 0.793E-01 0.776E-01 RMM: 3 -0.331800634622E+03 0.44439E-02 -0.12477E-02 6034 0.206E-01 0.147E-01 RMM: 4 -0.331800340638E+03 0.29398E-03 -0.64376E-04 4686 0.603E-02 0.119E-01 RMM: 5 -0.331800252416E+03 0.88222E-04 -0.10604E-04 3688 0.288E-02 0.666E-02 RMM: 6 -0.331800226396E+03 0.26020E-04 -0.26391E-05 2627 0.157E-02 0.387E-02 RMM: 7 -0.331800222004E+03 0.43912E-05 -0.20427E-05 2513 0.137E-02 6916 T= 6697. E= 0.67569905E+03 F= 0.62446877E+03 E0= 0.65334768E+03 EK= 0.54539E+02 SP= -.33E+01 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331819451968E+03 -0.19226E-01 -0.12631E-01 8328 0.239E+01 0.170E-01 RMM: 2 -0.331832746640E+03 -0.13295E-01 -0.10602E-01 5076 0.735E-01 0.761E-01 RMM: 3 -0.331828425795E+03 0.43208E-02 -0.10479E-02 6052 0.193E-01 0.156E-01 RMM: 4 -0.331828133290E+03 0.29251E-03 -0.54934E-04 4616 0.545E-02 0.979E-02 RMM: 5 -0.331828070145E+03 0.63144E-04 -0.82008E-05 3550 0.258E-02 0.554E-02 RMM: 6 -0.331828057750E+03 0.12396E-04 -0.21321E-05 2548 0.139E-02 6917 T= 6716. E= 0.67569983E+03 F= 0.62444093E+03 E0= 0.65330252E+03 EK= 0.54689E+02 SP= -.35E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331841654507E+03 -0.13584E-01 -0.12696E-01 8200 0.240E+01 0.174E-01 RMM: 2 -0.331856880716E+03 -0.15226E-01 -0.11012E-01 5162 0.730E-01 0.878E-01 RMM: 3 -0.331850935920E+03 0.59448E-02 -0.10281E-02 5808 0.198E-01 0.173E-01 RMM: 4 -0.331850634233E+03 0.30169E-03 -0.63408E-04 4672 0.559E-02 0.877E-02 RMM: 5 -0.331850580346E+03 0.53887E-04 -0.82117E-05 3659 0.239E-02 0.606E-02 RMM: 6 -0.331850567085E+03 0.13261E-04 -0.20370E-05 2542 0.137E-02 6918 T= 6732. E= 0.67570065E+03 F= 0.62441842E+03 E0= 0.65326030E+03 EK= 0.54826E+02 SP= -.36E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331860430780E+03 -0.98504E-02 -0.12399E-01 8264 0.240E+01 0.293E-01 RMM: 2 -0.331889835805E+03 -0.29405E-01 -0.10710E-01 5141 0.750E-01 0.174E+00 RMM: 3 -0.331868693221E+03 0.21143E-01 -0.13013E-02 5407 0.266E-01 0.282E-01 RMM: 4 -0.331868098022E+03 0.59520E-03 -0.14359E-03 4747 0.785E-02 0.750E-02 RMM: 5 -0.331868070257E+03 0.27765E-04 -0.15350E-04 4146 0.293E-02 0.738E-02 RMM: 6 -0.331868040862E+03 0.29396E-04 -0.23668E-05 2564 0.146E-02 0.475E-02 RMM: 7 -0.331868047191E+03 -0.63293E-05 -0.28392E-05 2652 0.167E-02 6919 T= 6747. E= 0.67569998E+03 F= 0.62440094E+03 E0= 0.65322188E+03 EK= 0.54947E+02 SP= -.37E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331861747111E+03 0.62938E-02 -0.12186E-01 8128 0.241E+01 0.229E-01 RMM: 2 -0.331879720612E+03 -0.17974E-01 -0.11051E-01 5054 0.739E-01 0.110E+00 RMM: 3 -0.331870680519E+03 0.90401E-02 -0.11393E-02 5497 0.231E-01 0.227E-01 RMM: 4 -0.331870366265E+03 0.31425E-03 -0.11756E-03 4725 0.744E-02 0.128E-01 RMM: 5 -0.331870321034E+03 0.45231E-04 -0.17958E-04 3875 0.345E-02 0.106E-01 RMM: 6 -0.331870246031E+03 0.75003E-04 -0.43640E-05 3111 0.201E-02 0.274E-02 RMM: 7 -0.331870247794E+03 -0.17627E-05 -0.14976E-05 2504 0.120E-02 6920 T= 6759. E= 0.67569905E+03 F= 0.62439874E+03 E0= 0.65319900E+03 EK= 0.55043E+02 SP= -.38E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331829841452E+03 0.40405E-01 -0.12748E-01 8224 0.241E+01 0.159E-01 RMM: 2 -0.331844226778E+03 -0.14385E-01 -0.11591E-01 5152 0.739E-01 0.745E-01 RMM: 3 -0.331839541708E+03 0.46851E-02 -0.10374E-02 5841 0.198E-01 0.142E-01 RMM: 4 -0.331839307906E+03 0.23380E-03 -0.56976E-04 4651 0.521E-02 0.900E-02 RMM: 5 -0.331839249253E+03 0.58653E-04 -0.75168E-05 3523 0.247E-02 0.576E-02 RMM: 6 -0.331839233202E+03 0.16050E-04 -0.22407E-05 2538 0.142E-02 6921 T= 6766. E= 0.67569803E+03 F= 0.62442976E+03 E0= 0.65320970E+03 EK= 0.55095E+02 SP= -.38E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331743641361E+03 0.95608E-01 -0.12755E-01 8200 0.242E+01 0.190E-01 RMM: 2 -0.331760546386E+03 -0.16905E-01 -0.11079E-01 5067 0.736E-01 0.100E+00 RMM: 3 -0.331752856137E+03 0.76902E-02 -0.10994E-02 5642 0.217E-01 0.170E-01 RMM: 4 -0.331752585248E+03 0.27089E-03 -0.75600E-04 5043 0.551E-02 0.710E-02 RMM: 5 -0.331752551767E+03 0.33481E-04 -0.71832E-05 3513 0.239E-02 0.640E-02 RMM: 6 -0.331752535227E+03 0.16540E-04 -0.21370E-05 2530 0.138E-02 6922 T= 6764. E= 0.67569642E+03 F= 0.62451645E+03 E0= 0.65327831E+03 EK= 0.55081E+02 SP= -.39E+01 SK= 0.88E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331577293040E+03 0.17526E+00 -0.13062E-01 7896 0.243E+01 0.311E-01 RMM: 2 -0.331607129825E+03 -0.29837E-01 -0.12817E-01 4898 0.823E-01 0.166E+00 RMM: 3 -0.331587574527E+03 0.19555E-01 -0.16824E-02 5406 0.297E-01 0.304E-01 RMM: 4 -0.331586886836E+03 0.68769E-03 -0.17545E-03 4951 0.847E-02 0.838E-02 RMM: 5 -0.331586875759E+03 0.11076E-04 -0.18899E-04 4051 0.318E-02 6923 T= 6751. E= 0.67569551E+03 F= 0.62468211E+03 E0= 0.65342769E+03 EK= 0.54978E+02 SP= -.40E+01 SK= 0.63E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331313171601E+03 0.27372E+00 -0.13171E-01 8056 0.244E+01 0.246E-01 RMM: 2 -0.331337133986E+03 -0.23962E-01 -0.12376E-01 5077 0.774E-01 0.136E+00 RMM: 3 -0.331323648736E+03 0.13485E-01 -0.14107E-02 5436 0.257E-01 0.259E-01 RMM: 4 -0.331323116764E+03 0.53197E-03 -0.12795E-03 4916 0.716E-02 0.907E-02 RMM: 5 -0.331323076015E+03 0.40749E-04 -0.13766E-04 3925 0.301E-02 0.757E-02 RMM: 6 -0.331323045111E+03 0.30904E-04 -0.26670E-05 2575 0.151E-02 0.527E-02 RMM: 7 -0.331323058790E+03 -0.13680E-04 -0.33695E-05 2859 0.169E-02 6924 T= 6725. E= 0.67569554E+03 F= 0.62494593E+03 E0= 0.65367778E+03 EK= 0.54767E+02 SP= -.40E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330941485317E+03 0.38156E+00 -0.12950E-01 7856 0.244E+01 0.232E-01 RMM: 2 -0.330959726365E+03 -0.18241E-01 -0.11789E-01 4805 0.783E-01 0.108E+00 RMM: 3 -0.330951269712E+03 0.84567E-02 -0.13474E-02 5662 0.235E-01 0.182E-01 RMM: 4 -0.330951069722E+03 0.19999E-03 -0.99901E-04 4734 0.690E-02 0.158E-01 RMM: 5 -0.330950974356E+03 0.95367E-04 -0.17841E-04 3878 0.346E-02 0.102E-01 RMM: 6 -0.330950905198E+03 0.69157E-04 -0.57478E-05 3315 0.225E-02 0.223E-02 RMM: 7 -0.330950914250E+03 -0.90516E-05 -0.15192E-05 2513 0.124E-02 6925 T= 6685. E= 0.67569649E+03 F= 0.62531808E+03 E0= 0.65403800E+03 EK= 0.54440E+02 SP= -.41E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330462998034E+03 0.48791E+00 -0.12784E-01 7968 0.244E+01 0.146E-01 RMM: 2 -0.330478524213E+03 -0.15526E-01 -0.13799E-01 4886 0.838E-01 0.629E-01 RMM: 3 -0.330475349497E+03 0.31747E-02 -0.15157E-02 6160 0.217E-01 0.139E-01 RMM: 4 -0.330475007126E+03 0.34237E-03 -0.63816E-04 4631 0.597E-02 0.968E-02 RMM: 5 -0.330474928144E+03 0.78982E-04 -0.88088E-05 3532 0.274E-02 0.545E-02 RMM: 6 -0.330474914564E+03 0.13580E-04 -0.25772E-05 2555 0.148E-02 6926 T= 6631. E= 0.67569863E+03 F= 0.62579407E+03 E0= 0.65450510E+03 EK= 0.54003E+02 SP= -.41E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329903898032E+03 0.57103E+00 -0.14180E-01 7792 0.243E+01 0.188E-01 RMM: 2 -0.329925217091E+03 -0.21319E-01 -0.15607E-01 4706 0.926E-01 0.993E-01 RMM: 3 -0.329917904759E+03 0.73123E-02 -0.18273E-02 5808 0.252E-01 0.177E-01 RMM: 4 -0.329917451261E+03 0.45350E-03 -0.93053E-04 5096 0.658E-02 0.784E-02 RMM: 5 -0.329917424108E+03 0.27152E-04 -0.11995E-04 3930 0.295E-02 0.684E-02 RMM: 6 -0.329917399261E+03 0.24847E-04 -0.29549E-05 2693 0.161E-02 0.483E-02 RMM: 7 -0.329917422442E+03 -0.23181E-04 -0.48656E-05 3160 0.200E-02 0.839E-02 RMM: 8 -0.329917376296E+03 0.46147E-04 -0.38458E-05 2730 0.169E-02 0.301E-02 RMM: 9 -0.329917372292E+03 0.40032E-05 -0.12574E-05 2464 0.102E-02 6927 T= 6567. E= 0.67570141E+03 F= 0.62635162E+03 E0= 0.65505662E+03 EK= 0.53479E+02 SP= -.41E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329307682586E+03 0.60969E+00 -0.13181E-01 7696 0.242E+01 0.230E-01 RMM: 2 -0.329325624342E+03 -0.17942E-01 -0.11768E-01 4776 0.796E-01 0.107E+00 RMM: 3 -0.329317482582E+03 0.81418E-02 -0.13808E-02 5685 0.233E-01 0.203E-01 RMM: 4 -0.329317215854E+03 0.26673E-03 -0.11822E-03 4769 0.791E-02 0.171E-01 RMM: 5 -0.329317075155E+03 0.14070E-03 -0.20924E-04 3886 0.381E-02 0.101E-01 RMM: 6 -0.329317004126E+03 0.71029E-04 -0.46149E-05 3142 0.203E-02 0.269E-02 RMM: 7 -0.329317007559E+03 -0.34331E-05 -0.19309E-05 2515 0.135E-02 6928 T= 6497. E= 0.67570541E+03 F= 0.62695198E+03 E0= 0.65565481E+03 EK= 0.52911E+02 SP= -.42E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328717521957E+03 0.59948E+00 -0.12559E-01 7728 0.240E+01 0.166E-01 RMM: 2 -0.328732881665E+03 -0.15360E-01 -0.11248E-01 4854 0.782E-01 0.865E-01 RMM: 3 -0.328727460959E+03 0.54207E-02 -0.13200E-02 5847 0.211E-01 0.167E-01 RMM: 4 -0.328727090722E+03 0.37024E-03 -0.64929E-04 4785 0.576E-02 0.696E-02 RMM: 5 -0.328727065675E+03 0.25047E-04 -0.82137E-05 3701 0.243E-02 0.628E-02 RMM: 6 -0.328727047239E+03 0.18435E-04 -0.21568E-05 2537 0.139E-02 6929 T= 6429. E= 0.67571046E+03 F= 0.62754194E+03 E0= 0.65624596E+03 EK= 0.52354E+02 SP= -.42E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328200670017E+03 0.52640E+00 -0.12112E-01 7544 0.238E+01 0.216E-01 RMM: 2 -0.328218872472E+03 -0.18202E-01 -0.10486E-01 4785 0.766E-01 0.115E+00 RMM: 3 -0.328209613725E+03 0.92587E-02 -0.12771E-02 5502 0.237E-01 0.197E-01 RMM: 4 -0.328209298605E+03 0.31512E-03 -0.99053E-04 4961 0.624E-02 0.788E-02 RMM: 5 -0.328209261639E+03 0.36965E-04 -0.10610E-04 3860 0.274E-02 0.639E-02 RMM: 6 -0.328209242032E+03 0.19607E-04 -0.22727E-05 2547 0.138E-02 6930 T= 6370. E= 0.67571542E+03 F= 0.62805975E+03 E0= 0.65676758E+03 EK= 0.51871E+02 SP= -.42E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327816832503E+03 0.39243E+00 -0.11581E-01 7584 0.236E+01 0.309E-01 RMM: 2 -0.327844111272E+03 -0.27279E-01 -0.10292E-01 4912 0.784E-01 0.166E+00 RMM: 3 -0.327825089179E+03 0.19022E-01 -0.14646E-02 5366 0.283E-01 0.348E-01 RMM: 4 -0.327824211026E+03 0.87815E-03 -0.16677E-03 4829 0.849E-02 0.741E-02 RMM: 5 -0.327824217362E+03 -0.63356E-05 -0.19524E-04 4123 0.306E-02 6931 T= 6327. E= 0.67572093E+03 F= 0.62844477E+03 E0= 0.65715812E+03 EK= 0.51527E+02 SP= -.43E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327614315124E+03 0.20990E+00 -0.11614E-01 7712 0.235E+01 0.180E-01 RMM: 2 -0.327629773153E+03 -0.15458E-01 -0.10424E-01 4903 0.744E-01 0.925E-01 RMM: 3 -0.327623589351E+03 0.61838E-02 -0.12081E-02 5554 0.214E-01 0.209E-01 RMM: 4 -0.327623201795E+03 0.38756E-03 -0.83417E-04 4833 0.610E-02 0.754E-02 RMM: 5 -0.327623175263E+03 0.26531E-04 -0.98665E-05 3988 0.244E-02 0.682E-02 RMM: 6 -0.327623151900E+03 0.23363E-04 -0.20966E-05 2537 0.137E-02 0.466E-02 RMM: 7 -0.327623167889E+03 -0.15989E-04 -0.42489E-05 3034 0.183E-02 6932 T= 6308. E= 0.67572434E+03 F= 0.62864582E+03 E0= 0.65736408E+03 EK= 0.51370E+02 SP= -.43E+01 SK= 0.43E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327628317718E+03 -0.51658E-02 -0.12139E-01 7640 0.234E+01 0.218E-01 RMM: 2 -0.327644477607E+03 -0.16160E-01 -0.11950E-01 4710 0.838E-01 0.933E-01 RMM: 3 -0.327638381677E+03 0.60959E-02 -0.14120E-02 5773 0.223E-01 0.180E-01 RMM: 4 -0.327638077150E+03 0.30453E-03 -0.94213E-04 4814 0.692E-02 0.133E-01 RMM: 5 -0.327638026490E+03 0.50661E-04 -0.16174E-04 3835 0.319E-02 0.101E-01 RMM: 6 -0.327637959521E+03 0.66969E-04 -0.47797E-05 3186 0.205E-02 0.227E-02 RMM: 7 -0.327637962781E+03 -0.32605E-05 -0.13129E-05 2495 0.112E-02 6933 T= 6316. E= 0.67572492E+03 F= 0.62863103E+03 E0= 0.65735382E+03 EK= 0.51434E+02 SP= -.43E+01 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327865561780E+03 -0.22760E+00 -0.11484E-01 7736 0.234E+01 0.136E-01 RMM: 2 -0.327876682082E+03 -0.11120E-01 -0.95009E-02 4868 0.726E-01 0.623E-01 RMM: 3 -0.327873880709E+03 0.28014E-02 -0.10682E-02 6051 0.184E-01 0.131E-01 RMM: 4 -0.327873606118E+03 0.27459E-03 -0.45502E-04 4562 0.506E-02 0.778E-02 RMM: 5 -0.327873558521E+03 0.47597E-04 -0.65634E-05 3386 0.240E-02 0.498E-02 RMM: 6 -0.327873548485E+03 0.10036E-04 -0.20617E-05 2520 0.134E-02 6934 T= 6352. E= 0.67572376E+03 F= 0.62839544E+03 E0= 0.65711991E+03 EK= 0.51724E+02 SP= -.44E+01 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328294330029E+03 -0.42077E+00 -0.11692E-01 7616 0.234E+01 0.190E-01 RMM: 2 -0.328310085374E+03 -0.15755E-01 -0.10516E-01 4827 0.765E-01 0.977E-01 RMM: 3 -0.328303340359E+03 0.67450E-02 -0.12287E-02 5659 0.215E-01 0.189E-01 RMM: 4 -0.328302974193E+03 0.36617E-03 -0.78247E-04 4858 0.590E-02 0.674E-02 RMM: 5 -0.328302955212E+03 0.18981E-04 -0.10154E-04 3842 0.258E-02 6935 T= 6411. E= 0.67572053E+03 F= 0.62796603E+03 E0= 0.65668932E+03 EK= 0.52212E+02 SP= -.45E+01 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328859039877E+03 -0.55607E+00 -0.11140E-01 7840 0.236E+01 0.201E-01 RMM: 2 -0.328874606100E+03 -0.15566E-01 -0.83729E-02 4963 0.691E-01 0.111E+00 RMM: 3 -0.328866085223E+03 0.85209E-02 -0.97125E-03 5481 0.210E-01 0.214E-01 RMM: 4 -0.328865751586E+03 0.33364E-03 -0.86364E-04 4678 0.626E-02 0.825E-02 RMM: 5 -0.328865721358E+03 0.30228E-04 -0.11090E-04 4076 0.249E-02 0.749E-02 RMM: 6 -0.328865694169E+03 0.27189E-04 -0.23042E-05 2560 0.147E-02 0.496E-02 RMM: 7 -0.328865707939E+03 -0.13770E-04 -0.37725E-05 2943 0.183E-02 6936 T= 6488. E= 0.67571490E+03 F= 0.62740328E+03 E0= 0.65612116E+03 EK= 0.52834E+02 SP= -.45E+01 SK= 0.88E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329462010550E+03 -0.59632E+00 -0.12171E-01 7616 0.238E+01 0.231E-01 RMM: 2 -0.329478521712E+03 -0.16511E-01 -0.12247E-01 4814 0.833E-01 0.959E-01 RMM: 3 -0.329472229503E+03 0.62922E-02 -0.14165E-02 5764 0.226E-01 0.201E-01 RMM: 4 -0.329471874794E+03 0.35471E-03 -0.98634E-04 4797 0.707E-02 0.136E-01 RMM: 5 -0.329471799034E+03 0.75760E-04 -0.17159E-04 3868 0.334E-02 0.894E-02 RMM: 6 -0.329471750140E+03 0.48894E-04 -0.45438E-05 3142 0.200E-02 0.306E-02 RMM: 7 -0.329471761996E+03 -0.11856E-04 -0.19731E-05 2533 0.137E-02 6937 T= 6570. E= 0.67570768E+03 F= 0.62679723E+03 E0= 0.65550585E+03 EK= 0.53500E+02 SP= -.46E+01 SK= 0.85E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330004087473E+03 -0.53234E+00 -0.10975E-01 7872 0.240E+01 0.174E-01 RMM: 2 -0.330017770400E+03 -0.13683E-01 -0.99085E-02 5007 0.736E-01 0.872E-01 RMM: 3 -0.330012611366E+03 0.51590E-02 -0.11114E-02 5794 0.197E-01 0.150E-01 RMM: 4 -0.330012349435E+03 0.26193E-03 -0.64423E-04 4684 0.559E-02 0.992E-02 RMM: 5 -0.330012276398E+03 0.73038E-04 -0.95040E-05 3719 0.264E-02 0.551E-02 RMM: 6 -0.330012261036E+03 0.15362E-04 -0.22641E-05 2547 0.140E-02 6938 T= 6643. E= 0.67570034E+03 F= 0.62625673E+03 E0= 0.65495135E+03 EK= 0.54098E+02 SP= -.47E+01 SK= 0.75E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330364174283E+03 -0.35190E+00 -0.11707E-01 7776 0.242E+01 0.172E-01 RMM: 2 -0.330379482526E+03 -0.15308E-01 -0.10899E-01 4860 0.760E-01 0.896E-01 RMM: 3 -0.330373610843E+03 0.58717E-02 -0.12388E-02 5715 0.212E-01 0.186E-01 RMM: 4 -0.330373242260E+03 0.36858E-03 -0.70951E-04 4881 0.571E-02 0.725E-02 RMM: 5 -0.330373210859E+03 0.31401E-04 -0.88501E-05 3728 0.249E-02 0.650E-02 RMM: 6 -0.330373193947E+03 0.16911E-04 -0.23413E-05 2550 0.145E-02 6939 T= 6694. E= 0.67569362E+03 F= 0.62589580E+03 E0= 0.65457337E+03 EK= 0.54511E+02 SP= -.47E+01 SK= 0.60E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330443423495E+03 -0.70213E-01 -0.11785E-01 7664 0.244E+01 0.366E-01 RMM: 2 -0.330480573256E+03 -0.37150E-01 -0.11263E-01 4879 0.825E-01 0.205E+00 RMM: 3 -0.330451853500E+03 0.28720E-01 -0.17818E-02 5369 0.322E-01 0.356E-01 RMM: 4 -0.330450957865E+03 0.89564E-03 -0.20878E-03 4989 0.919E-02 0.975E-02 RMM: 5 -0.330450958391E+03 -0.52665E-06 -0.25002E-04 3915 0.365E-02 0.113E-01 RMM: 6 -0.330450876858E+03 0.81533E-04 -0.55195E-05 3265 0.216E-02 0.435E-02 RMM: 7 -0.330450872859E+03 0.39990E-05 -0.17889E-05 2513 0.130E-02 6940 T= 6709. E= 0.67568898E+03 F= 0.62581812E+03 E0= 0.65447503E+03 EK= 0.54637E+02 SP= -.48E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330162727115E+03 0.28815E+00 -0.11816E-01 7664 0.245E+01 0.286E-01 RMM: 2 -0.330189637040E+03 -0.26910E-01 -0.94697E-02 4856 0.726E-01 0.165E+00 RMM: 3 -0.330170196108E+03 0.19441E-01 -0.13814E-02 5374 0.279E-01 0.297E-01 RMM: 4 -0.330169609273E+03 0.58684E-03 -0.15657E-03 4889 0.805E-02 0.102E-01 RMM: 5 -0.330169618427E+03 -0.91546E-05 -0.21031E-04 3884 0.361E-02 0.122E-01 RMM: 6 -0.330169519033E+03 0.99394E-04 -0.60374E-05 3334 0.230E-02 0.342E-02 RMM: 7 -0.330169518565E+03 0.46750E-06 -0.17600E-05 2531 0.128E-02 6941 T= 6680. E= 0.67568693E+03 F= 0.62609947E+03 E0= 0.65473320E+03 EK= 0.54398E+02 SP= -.48E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329479745813E+03 0.68977E+00 -0.12370E-01 7648 0.244E+01 0.213E-01 RMM: 2 -0.329499475689E+03 -0.19730E-01 -0.11338E-01 4782 0.779E-01 0.118E+00 RMM: 3 -0.329489291437E+03 0.10184E-01 -0.13333E-02 5524 0.238E-01 0.198E-01 RMM: 4 -0.329488950305E+03 0.34113E-03 -0.99599E-04 4895 0.652E-02 0.807E-02 RMM: 5 -0.329488931722E+03 0.18583E-04 -0.13350E-04 3890 0.301E-02 6942 T= 6601. E= 0.67568901E+03 F= 0.62678006E+03 E0= 0.65538910E+03 EK= 0.53756E+02 SP= -.48E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328403224187E+03 0.10857E+01 -0.12679E-01 7832 0.243E+01 0.110E-01 RMM: 2 -0.328414689585E+03 -0.11465E-01 -0.10695E-01 4819 0.752E-01 0.477E-01 RMM: 3 -0.328412706290E+03 0.19833E-02 -0.11795E-02 6236 0.195E-01 0.112E-01 RMM: 4 -0.328412463271E+03 0.24302E-03 -0.41977E-04 4588 0.491E-02 0.759E-02 RMM: 5 -0.328412424151E+03 0.39119E-04 -0.49934E-05 2979 0.234E-02 0.599E-02 RMM: 6 -0.328412423881E+03 0.27045E-06 -0.31406E-05 2676 0.165E-02 6943 T= 6474. E= 0.67569416E+03 F= 0.62785657E+03 E0= 0.65643918E+03 EK= 0.52717E+02 SP= -.49E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326979462757E+03 0.14330E+01 -0.13122E-01 7736 0.240E+01 0.257E-01 RMM: 2 -0.327005501321E+03 -0.26039E-01 -0.13173E-01 4670 0.846E-01 0.144E+00 RMM: 3 -0.326990420051E+03 0.15081E-01 -0.16237E-02 5467 0.273E-01 0.228E-01 RMM: 4 -0.326990025256E+03 0.39479E-03 -0.14384E-03 4981 0.751E-02 0.927E-02 RMM: 5 -0.326990046072E+03 -0.20816E-04 -0.18930E-04 3922 0.344E-02 0.111E-01 RMM: 6 -0.326989963931E+03 0.82141E-04 -0.48236E-05 3184 0.199E-02 0.297E-02 RMM: 7 -0.326989962284E+03 0.16470E-05 -0.15009E-05 2497 0.127E-02 6944 T= 6304. E= 0.67570161E+03 F= 0.62927903E+03 E0= 0.65783499E+03 EK= 0.51334E+02 SP= -.49E+01 SK= 0.27E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325303658922E+03 0.16863E+01 -0.11873E-01 7640 0.237E+01 0.261E-01 RMM: 2 -0.325326965295E+03 -0.23306E-01 -0.10780E-01 4848 0.783E-01 0.143E+00 RMM: 3 -0.325312537145E+03 0.14428E-01 -0.13691E-02 5453 0.259E-01 0.276E-01 RMM: 4 -0.325311959442E+03 0.57770E-03 -0.13416E-03 4773 0.770E-02 0.900E-02 RMM: 5 -0.325311940358E+03 0.19083E-04 -0.17532E-04 3946 0.329E-02 6945 T= 6104. E= 0.67571202E+03 F= 0.63095705E+03 E0= 0.65948613E+03 EK= 0.49705E+02 SP= -.50E+01 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323492096744E+03 0.18199E+01 -0.11194E-01 7648 0.232E+01 0.160E-01 RMM: 2 -0.323505875170E+03 -0.13778E-01 -0.10102E-01 4872 0.734E-01 0.821E-01 RMM: 3 -0.323500918216E+03 0.49570E-02 -0.11615E-02 5836 0.206E-01 0.161E-01 RMM: 4 -0.323500627350E+03 0.29087E-03 -0.57093E-04 4712 0.531E-02 0.815E-02 RMM: 5 -0.323500580853E+03 0.46497E-04 -0.93268E-05 3789 0.265E-02 0.707E-02 RMM: 6 -0.323500566466E+03 0.14387E-04 -0.44790E-05 3042 0.188E-02 6946 T= 5889. E= 0.67572357E+03 F= 0.63276842E+03 E0= 0.66126909E+03 EK= 0.47956E+02 SP= -.50E+01 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321695612412E+03 0.18050E+01 -0.11297E-01 7624 0.228E+01 0.315E-01 RMM: 2 -0.321726035760E+03 -0.30423E-01 -0.11306E-01 4739 0.799E-01 0.176E+00 RMM: 3 -0.321704436273E+03 0.21599E-01 -0.16799E-02 5388 0.302E-01 0.286E-01 RMM: 4 -0.321703899169E+03 0.53710E-03 -0.17743E-03 5004 0.837E-02 0.118E-01 RMM: 5 -0.321703908977E+03 -0.98078E-05 -0.24611E-04 3908 0.378E-02 0.131E-01 RMM: 6 -0.321703797997E+03 0.11098E-03 -0.74901E-05 3482 0.250E-02 0.377E-02 RMM: 7 -0.321703792880E+03 0.51168E-05 -0.16314E-05 2517 0.123E-02 6947 T= 5678. E= 0.67573549E+03 F= 0.63456520E+03 E0= 0.66303624E+03 EK= 0.46242E+02 SP= -.51E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320074270487E+03 0.16295E+01 -0.10577E-01 7792 0.224E+01 0.370E-01 RMM: 2 -0.320111355451E+03 -0.37085E-01 -0.10674E-01 4868 0.803E-01 0.206E+00 RMM: 3 -0.320082225408E+03 0.29130E-01 -0.17904E-02 5378 0.326E-01 0.359E-01 RMM: 4 -0.320081271201E+03 0.95421E-03 -0.20168E-03 5020 0.906E-02 0.989E-02 RMM: 5 -0.320081264739E+03 0.64615E-05 -0.24207E-04 3890 0.371E-02 0.109E-01 RMM: 6 -0.320081177485E+03 0.87254E-04 -0.53381E-05 3213 0.210E-02 0.392E-02 RMM: 7 -0.320081173141E+03 0.43448E-05 -0.18342E-05 2521 0.130E-02 6948 T= 5492. E= 0.67574714E+03 F= 0.63618782E+03 E0= 0.66462962E+03 EK= 0.44726E+02 SP= -.52E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318777326467E+03 0.13039E+01 -0.10546E-01 7728 0.220E+01 0.248E-01 RMM: 2 -0.318799009916E+03 -0.21683E-01 -0.10214E-01 4799 0.762E-01 0.138E+00 RMM: 3 -0.318785777397E+03 0.13233E-01 -0.13105E-02 5450 0.254E-01 0.248E-01 RMM: 4 -0.318785310250E+03 0.46715E-03 -0.11981E-03 4899 0.695E-02 0.731E-02 RMM: 5 -0.318785310162E+03 0.88421E-07 -0.15126E-04 3871 0.314E-02 6949 T= 5350. E= 0.67575738E+03 F= 0.63748368E+03 E0= 0.66589754E+03 EK= 0.43564E+02 SP= -.53E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317938319511E+03 0.84699E+00 -0.96933E-02 7720 0.218E+01 0.138E-01 RMM: 2 -0.317952030630E+03 -0.13711E-01 -0.10800E-01 4819 0.759E-01 0.731E-01 RMM: 3 -0.317948083142E+03 0.39475E-02 -0.12536E-02 5949 0.203E-01 0.142E-01 RMM: 4 -0.317947780462E+03 0.30268E-03 -0.54172E-04 4662 0.524E-02 0.845E-02 RMM: 5 -0.317947732732E+03 0.47730E-04 -0.71855E-05 3484 0.246E-02 0.602E-02 RMM: 6 -0.317947722910E+03 0.98219E-05 -0.24820E-05 2548 0.149E-02 6950 T= 5267. E= 0.67576498E+03 F= 0.63832127E+03 E0= 0.66670850E+03 EK= 0.42892E+02 SP= -.55E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317657019340E+03 0.29071E+00 -0.10098E-01 7576 0.217E+01 0.270E-01 RMM: 2 -0.317684253834E+03 -0.27234E-01 -0.12958E-01 4777 0.851E-01 0.152E+00 RMM: 3 -0.317667741857E+03 0.16512E-01 -0.15986E-02 5478 0.272E-01 0.244E-01 RMM: 4 -0.317667246277E+03 0.49558E-03 -0.14920E-03 4950 0.772E-02 0.801E-02 RMM: 5 -0.317667252482E+03 -0.62047E-05 -0.19840E-04 4126 0.299E-02 6951 T= 5257. E= 0.67576906E+03 F= 0.63860174E+03 E0= 0.66696673E+03 EK= 0.42810E+02 SP= -.58E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317991228028E+03 -0.32398E+00 -0.93013E-02 7688 0.217E+01 0.243E-01 RMM: 2 -0.318014158283E+03 -0.22930E-01 -0.94408E-02 4960 0.726E-01 0.146E+00 RMM: 3 -0.317999041697E+03 0.15117E-01 -0.12125E-02 5409 0.250E-01 0.238E-01 RMM: 4 -0.317998660805E+03 0.38089E-03 -0.12273E-03 4901 0.690E-02 0.911E-02 RMM: 5 -0.317998612340E+03 0.48465E-04 -0.13914E-04 3887 0.302E-02 0.778E-02 RMM: 6 -0.317998576784E+03 0.35557E-04 -0.29435E-05 2736 0.160E-02 0.480E-02 RMM: 7 -0.317998579271E+03 -0.24869E-05 -0.25660E-05 2557 0.155E-02 6952 T= 5327. E= 0.67576971E+03 F= 0.63827041E+03 E0= 0.66661764E+03 EK= 0.43376E+02 SP= -.61E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318939828290E+03 -0.94125E+00 -0.98994E-02 7736 0.220E+01 0.234E-01 RMM: 2 -0.318958124646E+03 -0.18296E-01 -0.10512E-01 4845 0.787E-01 0.117E+00 RMM: 3 -0.318948341920E+03 0.97827E-02 -0.12094E-02 5543 0.233E-01 0.190E-01 RMM: 4 -0.318948067285E+03 0.27463E-03 -0.98366E-04 4857 0.643E-02 0.992E-02 RMM: 5 -0.318948046451E+03 0.20834E-04 -0.14728E-04 3856 0.302E-02 0.892E-02 RMM: 6 -0.318947993271E+03 0.53180E-04 -0.38631E-05 3044 0.186E-02 0.233E-02 RMM: 7 -0.318947993377E+03 -0.10628E-06 -0.11203E-05 2484 0.107E-02 6953 T= 5477. E= 0.67576600E+03 F= 0.63732100E+03 E0= 0.66565733E+03 EK= 0.44599E+02 SP= -.64E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320463500759E+03 -0.15155E+01 -0.92006E-02 7696 0.224E+01 0.169E-01 RMM: 2 -0.320474666500E+03 -0.11166E-01 -0.81700E-02 5091 0.689E-01 0.791E-01 RMM: 3 -0.320470383213E+03 0.42833E-02 -0.84722E-03 5780 0.181E-01 0.149E-01 RMM: 4 -0.320470171476E+03 0.21174E-03 -0.52034E-04 4535 0.517E-02 0.995E-02 RMM: 5 -0.320470092408E+03 0.79068E-04 -0.84830E-05 3591 0.248E-02 0.572E-02 RMM: 6 -0.320470076972E+03 0.15436E-04 -0.20591E-05 2536 0.135E-02 6954 T= 5702. E= 0.67575873E+03 F= 0.63579891E+03 E0= 0.66413173E+03 EK= 0.46434E+02 SP= -.68E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322463756623E+03 -0.19937E+01 -0.93053E-02 7776 0.229E+01 0.190E-01 RMM: 2 -0.322477609175E+03 -0.13853E-01 -0.79845E-02 5083 0.686E-01 0.102E+00 RMM: 3 -0.322470371493E+03 0.72377E-02 -0.85677E-03 5494 0.198E-01 0.171E-01 RMM: 4 -0.322470159614E+03 0.21188E-03 -0.67006E-04 4793 0.524E-02 0.785E-02 RMM: 5 -0.322470109556E+03 0.50059E-04 -0.88350E-05 3786 0.253E-02 0.630E-02 RMM: 6 -0.322470093486E+03 0.16069E-04 -0.24445E-05 2572 0.145E-02 6955 T= 5991. E= 0.67574869E+03 F= 0.63379890E+03 E0= 0.66213655E+03 EK= 0.48786E+02 SP= -.72E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324806404286E+03 -0.23363E+01 -0.95326E-02 7568 0.236E+01 0.346E-01 RMM: 2 -0.324836477699E+03 -0.30073E-01 -0.95332E-02 5123 0.786E-01 0.185E+00 RMM: 3 -0.324813291322E+03 0.23186E-01 -0.13966E-02 5354 0.290E-01 0.311E-01 RMM: 4 -0.324812609620E+03 0.68170E-03 -0.16924E-03 4739 0.861E-02 0.114E-01 RMM: 5 -0.324812568269E+03 0.41351E-04 -0.23330E-04 3890 0.374E-02 0.108E-01 RMM: 6 -0.324812492414E+03 0.75855E-04 -0.58012E-05 3314 0.229E-02 0.409E-02 RMM: 7 -0.324812491871E+03 0.54320E-06 -0.19085E-05 2520 0.134E-02 6956 T= 6326. E= 0.67573640E+03 F= 0.63145650E+03 E0= 0.65980819E+03 EK= 0.51516E+02 SP= -.76E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327324469322E+03 -0.25120E+01 -0.10323E-01 7392 0.243E+01 0.260E-01 RMM: 2 -0.327343687628E+03 -0.19218E-01 -0.97130E-02 5103 0.772E-01 0.128E+00 RMM: 3 -0.327332450060E+03 0.11238E-01 -0.11457E-02 5366 0.243E-01 0.277E-01 RMM: 4 -0.327331967327E+03 0.48273E-03 -0.13164E-03 4734 0.787E-02 0.119E-01 RMM: 5 -0.327331901129E+03 0.66198E-04 -0.20168E-04 3870 0.361E-02 0.104E-01 RMM: 6 -0.327331829264E+03 0.71865E-04 -0.48656E-05 3186 0.207E-02 0.377E-02 RMM: 7 -0.327331828920E+03 0.34411E-06 -0.24224E-05 2531 0.151E-02 6957 T= 6687. E= 0.67572304E+03 F= 0.62893716E+03 E0= 0.65731150E+03 EK= 0.54452E+02 SP= -.80E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329838774262E+03 -0.25069E+01 -0.11721E-01 7552 0.250E+01 0.211E-01 RMM: 2 -0.329854969236E+03 -0.16195E-01 -0.10891E-01 4993 0.814E-01 0.102E+00 RMM: 3 -0.329848090041E+03 0.68792E-02 -0.12249E-02 5625 0.223E-01 0.176E-01 RMM: 4 -0.329847844143E+03 0.24590E-03 -0.83333E-04 4674 0.643E-02 0.131E-01 RMM: 5 -0.329847721466E+03 0.12268E-03 -0.15081E-04 3852 0.333E-02 0.694E-02 RMM: 6 -0.329847696437E+03 0.25029E-04 -0.33569E-05 2812 0.172E-02 0.469E-02 RMM: 7 -0.329847687786E+03 0.86516E-05 -0.22787E-05 2519 0.150E-02 6958 T= 7049. E= 0.67570989E+03 F= 0.62642130E+03 E0= 0.65482635E+03 EK= 0.57399E+02 SP= -.85E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332172629221E+03 -0.23249E+01 -0.12397E-01 7640 0.256E+01 0.196E-01 RMM: 2 -0.332187189940E+03 -0.14561E-01 -0.11428E-01 4997 0.832E-01 0.845E-01 RMM: 3 -0.332182562045E+03 0.46279E-02 -0.12919E-02 5842 0.212E-01 0.154E-01 RMM: 4 -0.332182296696E+03 0.26535E-03 -0.75131E-04 4648 0.664E-02 0.142E-01 RMM: 5 -0.332182142989E+03 0.15371E-03 -0.14454E-04 3859 0.330E-02 0.597E-02 RMM: 6 -0.332182128717E+03 0.14272E-04 -0.26645E-05 2575 0.149E-02 6959 T= 7388. E= 0.67569821E+03 F= 0.62408686E+03 E0= 0.65252960E+03 EK= 0.60167E+02 SP= -.89E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334164088396E+03 -0.19819E+01 -0.13716E-01 7448 0.262E+01 0.178E-01 RMM: 2 -0.334181348900E+03 -0.17261E-01 -0.14347E-01 4808 0.919E-01 0.799E-01 RMM: 3 -0.334177066577E+03 0.42823E-02 -0.17418E-02 5997 0.239E-01 0.149E-01 RMM: 4 -0.334176698924E+03 0.36765E-03 -0.73455E-04 4756 0.653E-02 0.131E-01 RMM: 5 -0.334176565214E+03 0.13371E-03 -0.12525E-04 3866 0.330E-02 0.621E-02 RMM: 6 -0.334176553063E+03 0.12151E-04 -0.30327E-05 2566 0.156E-02 6960 T= 7684. E= 0.67568894E+03 F= 0.62209244E+03 E0= 0.65057813E+03 EK= 0.62576E+02 SP= -.92E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335696870058E+03 -0.15203E+01 -0.14029E-01 7392 0.266E+01 0.251E-01 RMM: 2 -0.335717519337E+03 -0.20649E-01 -0.11999E-01 4994 0.861E-01 0.125E+00 RMM: 3 -0.335706828657E+03 0.10691E-01 -0.13986E-02 5514 0.252E-01 0.227E-01 RMM: 4 -0.335706430145E+03 0.39851E-03 -0.12289E-03 4720 0.774E-02 0.114E-01 RMM: 5 -0.335706329994E+03 0.10015E-03 -0.17903E-04 3893 0.342E-02 0.733E-02 RMM: 6 -0.335706305886E+03 0.24108E-04 -0.32124E-05 2664 0.168E-02 0.499E-02 RMM: 7 -0.335706296255E+03 0.96307E-05 -0.29455E-05 2555 0.167E-02 6961 T= 7919. E= 0.67568273E+03 F= 0.62056269E+03 E0= 0.64909423E+03 EK= 0.64485E+02 SP= -.95E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336679372390E+03 -0.97307E+00 -0.15381E-01 7520 0.269E+01 0.198E-01 RMM: 2 -0.336697213476E+03 -0.17841E-01 -0.14740E-01 4811 0.928E-01 0.821E-01 RMM: 3 -0.336692392268E+03 0.48212E-02 -0.17487E-02 5897 0.247E-01 0.191E-01 RMM: 4 -0.336692017970E+03 0.37430E-03 -0.97648E-04 4802 0.756E-02 0.157E-01 RMM: 5 -0.336691842858E+03 0.17511E-03 -0.18935E-04 3922 0.380E-02 0.668E-02 RMM: 6 -0.336691820114E+03 0.22745E-04 -0.33410E-05 2808 0.169E-02 0.485E-02 RMM: 7 -0.336691808493E+03 0.11620E-04 -0.29389E-05 2537 0.170E-02 6962 T= 8080. E= 0.67567974E+03 F= 0.61957718E+03 E0= 0.64815344E+03 EK= 0.65796E+02 SP= -.98E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337090711697E+03 -0.39889E+00 -0.15085E-01 7608 0.270E+01 0.166E-01 RMM: 2 -0.337105632327E+03 -0.14921E-01 -0.12610E-01 4778 0.862E-01 0.745E-01 RMM: 3 -0.337101887336E+03 0.37450E-02 -0.15049E-02 6016 0.230E-01 0.142E-01 RMM: 4 -0.337101591513E+03 0.29582E-03 -0.62449E-04 4674 0.622E-02 0.117E-01 RMM: 5 -0.337101491451E+03 0.10006E-03 -0.10462E-04 3660 0.311E-02 0.621E-02 RMM: 6 -0.337101477346E+03 0.14105E-04 -0.29725E-05 2586 0.159E-02 6963 T= 8162. E= 0.67568079E+03 F= 0.61916751E+03 E0= 0.64778452E+03 EK= 0.66464E+02 SP= -.10E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336942036066E+03 0.15946E+00 -0.15001E-01 7504 0.269E+01 0.188E-01 RMM: 2 -0.336958855258E+03 -0.16819E-01 -0.12397E-01 4796 0.846E-01 0.922E-01 RMM: 3 -0.336952844260E+03 0.60110E-02 -0.14647E-02 5686 0.245E-01 0.153E-01 RMM: 4 -0.336952603403E+03 0.24086E-03 -0.76143E-04 4868 0.605E-02 0.954E-02 RMM: 5 -0.336952538233E+03 0.65170E-04 -0.10149E-04 3874 0.293E-02 0.636E-02 RMM: 6 -0.336952523183E+03 0.15049E-04 -0.25005E-05 2545 0.150E-02 6964 T= 8166. E= 0.67568574E+03 F= 0.61931647E+03 E0= 0.64796838E+03 EK= 0.66500E+02 SP= -.10E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336298653808E+03 0.65388E+00 -0.15002E-01 7280 0.268E+01 0.317E-01 RMM: 2 -0.336329224834E+03 -0.30571E-01 -0.14239E-01 4741 0.941E-01 0.166E+00 RMM: 3 -0.336310338091E+03 0.18887E-01 -0.19558E-02 5439 0.319E-01 0.297E-01 RMM: 4 -0.336309669318E+03 0.66877E-03 -0.18151E-03 5087 0.879E-02 0.948E-02 RMM: 5 -0.336309656294E+03 0.13024E-04 -0.20335E-04 4026 0.321E-02 0.103E-01 RMM: 6 -0.336309587930E+03 0.68364E-04 -0.38509E-05 2958 0.184E-02 0.476E-02 RMM: 7 -0.336309590954E+03 -0.30241E-05 -0.25754E-05 2553 0.155E-02 6965 T= 8100. E= 0.67569336E+03 F= 0.61995940E+03 E0= 0.64863768E+03 EK= 0.65964E+02 SP= -.10E+02 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335264029042E+03 0.10456E+01 -0.15519E-01 7344 0.265E+01 0.271E-01 RMM: 2 -0.335289908517E+03 -0.25879E-01 -0.14528E-01 4708 0.933E-01 0.138E+00 RMM: 3 -0.335276502065E+03 0.13406E-01 -0.18515E-02 5469 0.297E-01 0.279E-01 RMM: 4 -0.335275973309E+03 0.52876E-03 -0.16770E-03 5109 0.891E-02 0.129E-01 RMM: 5 -0.335275976803E+03 -0.34939E-05 -0.23981E-04 3922 0.368E-02 0.132E-01 RMM: 6 -0.335275857106E+03 0.11970E-03 -0.65183E-05 3385 0.233E-02 0.329E-02 RMM: 7 -0.335275858261E+03 -0.11549E-05 -0.18166E-05 2519 0.128E-02 6966 T= 7977. E= 0.67570272E+03 F= 0.62099313E+03 E0= 0.64968766E+03 EK= 0.64962E+02 SP= -.10E+02 SK= 0.21E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.333963083950E+03 0.13128E+01 -0.15601E-01 7544 0.262E+01 0.233E-01 RMM: 2 -0.333986765408E+03 -0.23681E-01 -0.15254E-01 4709 0.953E-01 0.123E+00 RMM: 3 -0.333976361112E+03 0.10404E-01 -0.18771E-02 5676 0.281E-01 0.232E-01 RMM: 4 -0.333975862864E+03 0.49825E-03 -0.11621E-03 4890 0.750E-02 0.911E-02 RMM: 5 -0.333975827208E+03 0.35656E-04 -0.16570E-04 4123 0.325E-02 0.884E-02 RMM: 6 -0.333975781267E+03 0.45941E-04 -0.37517E-05 2924 0.184E-02 0.417E-02 RMM: 7 -0.333975782721E+03 -0.14541E-05 -0.21929E-05 2527 0.144E-02 6967 T= 7813. E= 0.67571284E+03 F= 0.62229321E+03 E0= 0.65099251E+03 EK= 0.63625E+02 SP= -.10E+02 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332525728107E+03 0.14501E+01 -0.15358E-01 7592 0.258E+01 0.187E-01 RMM: 2 -0.332545515680E+03 -0.19788E-01 -0.16303E-01 4674 0.977E-01 0.852E-01 RMM: 3 -0.332540346844E+03 0.51688E-02 -0.20139E-02 6041 0.264E-01 0.173E-01 RMM: 4 -0.332539882067E+03 0.46478E-03 -0.84882E-04 4809 0.701E-02 0.101E-01 RMM: 5 -0.332539830289E+03 0.51777E-04 -0.12712E-04 3875 0.337E-02 0.683E-02 RMM: 6 -0.332539806196E+03 0.24093E-04 -0.30598E-05 2646 0.170E-02 0.361E-02 RMM: 7 -0.332539809802E+03 -0.36064E-05 -0.18933E-05 2509 0.137E-02 6968 T= 7625. E= 0.67572197E+03 F= 0.62372918E+03 E0= 0.65242160E+03 EK= 0.62093E+02 SP= -.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331074979489E+03 0.14648E+01 -0.15549E-01 7616 0.255E+01 0.184E-01 RMM: 2 -0.331094249631E+03 -0.19270E-01 -0.16745E-01 4691 0.994E-01 0.779E-01 RMM: 3 -0.331089831998E+03 0.44176E-02 -0.20258E-02 6076 0.262E-01 0.151E-01 RMM: 4 -0.331089414135E+03 0.41786E-03 -0.83424E-04 4836 0.699E-02 0.120E-01 RMM: 5 -0.331089330714E+03 0.83421E-04 -0.12935E-04 3889 0.329E-02 0.772E-02 RMM: 6 -0.331089299054E+03 0.31660E-04 -0.33494E-05 2720 0.176E-02 0.395E-02 RMM: 7 -0.331089297994E+03 0.10599E-05 -0.21973E-05 2520 0.143E-02 6969 T= 7429. E= 0.67572948E+03 F= 0.62517969E+03 E0= 0.65385527E+03 EK= 0.60498E+02 SP= -.10E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329712119947E+03 0.13772E+01 -0.14568E-01 7624 0.252E+01 0.184E-01 RMM: 2 -0.329729773067E+03 -0.17653E-01 -0.14262E-01 4713 0.923E-01 0.845E-01 RMM: 3 -0.329724694002E+03 0.50791E-02 -0.17233E-02 5965 0.250E-01 0.164E-01 RMM: 4 -0.329724310331E+03 0.38367E-03 -0.74470E-04 4818 0.647E-02 0.100E-01 RMM: 5 -0.329724260798E+03 0.49533E-04 -0.11411E-04 3781 0.316E-02 0.736E-02 RMM: 6 -0.329724233668E+03 0.27130E-04 -0.31055E-05 2658 0.171E-02 0.408E-02 RMM: 7 -0.329724237736E+03 -0.40680E-05 -0.22398E-05 2540 0.146E-02 6970 T= 7239. E= 0.67573534E+03 F= 0.62654475E+03 E0= 0.65519535E+03 EK= 0.58950E+02 SP= -.98E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328508480305E+03 0.12158E+01 -0.13386E-01 7632 0.249E+01 0.166E-01 RMM: 2 -0.328522005397E+03 -0.13525E-01 -0.12111E-01 4774 0.845E-01 0.648E-01 RMM: 3 -0.328519038494E+03 0.29669E-02 -0.14243E-02 6040 0.226E-01 0.131E-01 RMM: 4 -0.328518801934E+03 0.23656E-03 -0.60057E-04 4715 0.597E-02 0.125E-01 RMM: 5 -0.328518704430E+03 0.97504E-04 -0.98684E-05 3591 0.296E-02 0.666E-02 RMM: 6 -0.328518682516E+03 0.21915E-04 -0.27437E-05 2571 0.159E-02 0.369E-02 RMM: 7 -0.328518681985E+03 0.53059E-06 -0.19689E-05 2519 0.136E-02 6971 T= 7065. E= 0.67573955E+03 F= 0.62775031E+03 E0= 0.65637085E+03 EK= 0.57533E+02 SP= -.96E+01 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327512565806E+03 0.10061E+01 -0.13223E-01 7632 0.247E+01 0.177E-01 RMM: 2 -0.327528148961E+03 -0.15583E-01 -0.12689E-01 4787 0.867E-01 0.800E-01 RMM: 3 -0.327523670015E+03 0.44789E-02 -0.14830E-02 6000 0.229E-01 0.160E-01 RMM: 4 -0.327523327216E+03 0.34280E-03 -0.66667E-04 4749 0.628E-02 0.102E-01 RMM: 5 -0.327523269216E+03 0.57999E-04 -0.10189E-04 3655 0.291E-02 0.726E-02 RMM: 6 -0.327523243040E+03 0.26177E-04 -0.28869E-05 2618 0.165E-02 0.402E-02 RMM: 7 -0.327523244854E+03 -0.18143E-05 -0.22214E-05 2536 0.144E-02 6972 T= 6914. E= 0.67574239E+03 F= 0.62874574E+03 E0= 0.65733404E+03 EK= 0.56307E+02 SP= -.94E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326760145021E+03 0.76310E+00 -0.12210E-01 7520 0.245E+01 0.175E-01 RMM: 2 -0.326773655473E+03 -0.13510E-01 -0.11636E-01 4860 0.824E-01 0.706E-01 RMM: 3 -0.326770223405E+03 0.34321E-02 -0.13463E-02 6020 0.214E-01 0.144E-01 RMM: 4 -0.326769951462E+03 0.27194E-03 -0.61447E-04 4719 0.599E-02 0.119E-01 RMM: 5 -0.326769860248E+03 0.91215E-04 -0.10095E-04 3610 0.284E-02 0.631E-02 RMM: 6 -0.326769840840E+03 0.19408E-04 -0.27402E-05 2586 0.159E-02 6973 T= 6792. E= 0.67574515E+03 F= 0.62949915E+03 E0= 0.65805567E+03 EK= 0.55311E+02 SP= -.92E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326271178029E+03 0.49868E+00 -0.12121E-01 7400 0.244E+01 0.191E-01 RMM: 2 -0.326285714545E+03 -0.14537E-01 -0.10523E-01 4952 0.784E-01 0.896E-01 RMM: 3 -0.326280217544E+03 0.54970E-02 -0.11882E-02 5671 0.217E-01 0.163E-01 RMM: 4 -0.326279974608E+03 0.24294E-03 -0.69147E-04 4819 0.575E-02 0.973E-02 RMM: 5 -0.326279910619E+03 0.63990E-04 -0.99130E-05 3782 0.264E-02 0.666E-02 RMM: 6 -0.326279890141E+03 0.20477E-04 -0.27745E-05 2650 0.159E-02 0.485E-02 RMM: 7 -0.326279894054E+03 -0.39131E-05 -0.35757E-05 2685 0.180E-02 6974 T= 6701. E= 0.67574754E+03 F= 0.62998910E+03 E0= 0.65851665E+03 EK= 0.54570E+02 SP= -.89E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326062020039E+03 0.21787E+00 -0.11801E-01 7288 0.243E+01 0.249E-01 RMM: 2 -0.326079792600E+03 -0.17773E-01 -0.10551E-01 4968 0.812E-01 0.118E+00 RMM: 3 -0.326070713747E+03 0.90789E-02 -0.12315E-02 5523 0.233E-01 0.243E-01 RMM: 4 -0.326070290673E+03 0.42307E-03 -0.11150E-03 4724 0.757E-02 0.117E-01 RMM: 5 -0.326070258946E+03 0.31727E-04 -0.17102E-04 3842 0.319E-02 0.106E-01 RMM: 6 -0.326070187679E+03 0.71267E-04 -0.45118E-05 3145 0.201E-02 0.285E-02 RMM: 7 -0.326070188875E+03 -0.11954E-05 -0.14316E-05 2492 0.117E-02 6975 T= 6644. E= 0.67574925E+03 F= 0.63019880E+03 E0= 0.65870136E+03 EK= 0.54103E+02 SP= -.87E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326140515271E+03 -0.70328E-01 -0.12019E-01 7384 0.242E+01 0.220E-01 RMM: 2 -0.326158111622E+03 -0.17596E-01 -0.11761E-01 4987 0.828E-01 0.106E+00 RMM: 3 -0.326150571317E+03 0.75403E-02 -0.13365E-02 5608 0.229E-01 0.196E-01 RMM: 4 -0.326150223409E+03 0.34791E-03 -0.87453E-04 4748 0.649E-02 0.969E-02 RMM: 5 -0.326150169839E+03 0.53570E-04 -0.12624E-04 3907 0.281E-02 0.797E-02 RMM: 6 -0.326150131466E+03 0.38372E-04 -0.32142E-05 2867 0.170E-02 0.394E-02 RMM: 7 -0.326150132941E+03 -0.14749E-05 -0.21643E-05 2520 0.141E-02 6976 T= 6621. E= 0.67574973E+03 F= 0.63011886E+03 E0= 0.65860154E+03 EK= 0.53921E+02 SP= -.84E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326506252698E+03 -0.35612E+00 -0.11999E-01 7648 0.242E+01 0.194E-01 RMM: 2 -0.326521272026E+03 -0.15019E-01 -0.11834E-01 4938 0.827E-01 0.840E-01 RMM: 3 -0.326516543672E+03 0.47284E-02 -0.13733E-02 5814 0.220E-01 0.160E-01 RMM: 4 -0.326516244436E+03 0.29924E-03 -0.73709E-04 4847 0.608E-02 0.111E-01 RMM: 5 -0.326516174873E+03 0.69562E-04 -0.11043E-04 3752 0.277E-02 0.734E-02 RMM: 6 -0.326516143588E+03 0.31286E-04 -0.28546E-05 2714 0.163E-02 0.364E-02 RMM: 7 -0.326516145028E+03 -0.14402E-05 -0.20770E-05 2517 0.142E-02 6977 T= 6633. E= 0.67574842E+03 F= 0.62975284E+03 E0= 0.65822036E+03 EK= 0.54018E+02 SP= -.82E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327135522353E+03 -0.61938E+00 -0.12134E-01 7632 0.242E+01 0.203E-01 RMM: 2 -0.327152634034E+03 -0.17112E-01 -0.13329E-01 4847 0.878E-01 0.885E-01 RMM: 3 -0.327147275598E+03 0.53584E-02 -0.15952E-02 5858 0.237E-01 0.181E-01 RMM: 4 -0.327146878646E+03 0.39695E-03 -0.84219E-04 4763 0.669E-02 0.111E-01 RMM: 5 -0.327146806162E+03 0.72484E-04 -0.12662E-04 3858 0.294E-02 0.795E-02 RMM: 6 -0.327146769591E+03 0.36571E-04 -0.32001E-05 2826 0.171E-02 0.398E-02 RMM: 7 -0.327146768195E+03 0.13958E-05 -0.21984E-05 2534 0.144E-02 6978 T= 6677. E= 0.67574523E+03 F= 0.62912222E+03 E0= 0.65757933E+03 EK= 0.54372E+02 SP= -.79E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327985449282E+03 -0.83868E+00 -0.12736E-01 7856 0.243E+01 0.178E-01 RMM: 2 -0.328000540751E+03 -0.15091E-01 -0.12562E-01 5010 0.823E-01 0.761E-01 RMM: 3 -0.327996400057E+03 0.41407E-02 -0.13774E-02 5970 0.215E-01 0.156E-01 RMM: 4 -0.327996070213E+03 0.32984E-03 -0.64949E-04 4820 0.581E-02 0.106E-01 RMM: 5 -0.327995992340E+03 0.77873E-04 -0.93770E-05 3759 0.256E-02 0.669E-02 RMM: 6 -0.327995972941E+03 0.19399E-04 -0.23488E-05 2558 0.147E-02 6979 T= 6746. E= 0.67574045E+03 F= 0.62827302E+03 E0= 0.65672366E+03 EK= 0.54933E+02 SP= -.76E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328981537452E+03 -0.98555E+00 -0.13516E-01 7928 0.244E+01 0.216E-01 RMM: 2 -0.329002997547E+03 -0.21460E-01 -0.15383E-01 4874 0.897E-01 0.105E+00 RMM: 3 -0.328994900242E+03 0.80973E-02 -0.17307E-02 5697 0.262E-01 0.197E-01 RMM: 4 -0.328994486626E+03 0.41362E-03 -0.10709E-03 5141 0.668E-02 0.907E-02 RMM: 5 -0.328994430902E+03 0.55724E-04 -0.11744E-04 4016 0.285E-02 0.752E-02 RMM: 6 -0.328994411578E+03 0.19324E-04 -0.24504E-05 2562 0.148E-02 6980 T= 6831. E= 0.67573455E+03 F= 0.62727458E+03 E0= 0.65572297E+03 EK= 0.55629E+02 SP= -.73E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330046509191E+03 -0.10521E+01 -0.13338E-01 8440 0.245E+01 0.306E-01 RMM: 2 -0.330078720780E+03 -0.32212E-01 -0.12743E-01 5123 0.825E-01 0.176E+00 RMM: 3 -0.330056749706E+03 0.21971E-01 -0.16269E-02 5407 0.295E-01 0.285E-01 RMM: 4 -0.330056166190E+03 0.58352E-03 -0.17133E-03 4934 0.816E-02 0.989E-02 RMM: 5 -0.330056112991E+03 0.53200E-04 -0.16162E-04 4159 0.312E-02 0.934E-02 RMM: 6 -0.330056072509E+03 0.40482E-04 -0.28296E-05 2591 0.159E-02 0.653E-02 RMM: 7 -0.330056083587E+03 -0.11078E-04 -0.46816E-05 3118 0.201E-02 6981 T= 6922. E= 0.67572742E+03 F= 0.62621291E+03 E0= 0.65466330E+03 EK= 0.56371E+02 SP= -.70E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331073758609E+03 -0.10177E+01 -0.14157E-01 8616 0.247E+01 0.321E-01 RMM: 2 -0.331107322273E+03 -0.33564E-01 -0.14514E-01 5030 0.862E-01 0.176E+00 RMM: 3 -0.331085459245E+03 0.21863E-01 -0.17341E-02 5416 0.301E-01 0.329E-01 RMM: 4 -0.331084743387E+03 0.71586E-03 -0.20494E-03 5061 0.969E-02 0.135E-01 RMM: 5 -0.331084770663E+03 -0.27276E-04 -0.29520E-04 3913 0.406E-02 0.157E-01 RMM: 6 -0.331084601190E+03 0.16947E-03 -0.94057E-05 3664 0.277E-02 0.385E-02 RMM: 7 -0.331084605358E+03 -0.41672E-05 -0.22584E-05 2603 0.142E-02 6982 T= 7007. E= 0.67572023E+03 F= 0.62518438E+03 E0= 0.65363983E+03 EK= 0.57057E+02 SP= -.67E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331969897671E+03 -0.88530E+00 -0.15950E-01 8808 0.248E+01 0.227E-01 RMM: 2 -0.331996536292E+03 -0.26639E-01 -0.16140E-01 5107 0.877E-01 0.131E+00 RMM: 3 -0.331983595073E+03 0.12941E-01 -0.15388E-02 5555 0.261E-01 0.203E-01 RMM: 4 -0.331983246487E+03 0.34859E-03 -0.11722E-03 4913 0.704E-02 0.110E-01 RMM: 5 -0.331983168519E+03 0.77968E-04 -0.14413E-04 3995 0.306E-02 0.841E-02 RMM: 6 -0.331983133137E+03 0.35382E-04 -0.30197E-05 2644 0.162E-02 0.574E-02 RMM: 7 -0.331983129656E+03 0.34803E-05 -0.34986E-05 2748 0.176E-02 6983 T= 7072. E= 0.67571332E+03 F= 0.62428586E+03 E0= 0.65274767E+03 EK= 0.57590E+02 SP= -.64E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332653491949E+03 -0.67036E+00 -0.17438E-01 8824 0.249E+01 0.179E-01 RMM: 2 -0.332672429481E+03 -0.18938E-01 -0.15793E-01 5191 0.859E-01 0.806E-01 RMM: 3 -0.332667134771E+03 0.52947E-02 -0.13002E-02 5894 0.227E-01 0.180E-01 RMM: 4 -0.332666795535E+03 0.33924E-03 -0.73457E-04 4808 0.606E-02 0.941E-02 RMM: 5 -0.332666749004E+03 0.46531E-04 -0.10320E-04 3798 0.267E-02 0.762E-02 RMM: 6 -0.332666723735E+03 0.25269E-04 -0.25810E-05 2584 0.153E-02 0.523E-02 RMM: 7 -0.332666728538E+03 -0.48028E-05 -0.27595E-05 2616 0.160E-02 6984 T= 7108. E= 0.67570775E+03 F= 0.62360226E+03 E0= 0.65207193E+03 EK= 0.57882E+02 SP= -.60E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333058615384E+03 -0.39189E+00 -0.19120E-01 8936 0.250E+01 0.178E-01 RMM: 2 -0.333078993483E+03 -0.20378E-01 -0.18215E-01 5157 0.915E-01 0.719E-01 RMM: 3 -0.333074413934E+03 0.45795E-02 -0.15374E-02 6097 0.236E-01 0.141E-01 RMM: 4 -0.333074139480E+03 0.27445E-03 -0.73646E-04 4786 0.620E-02 0.134E-01 RMM: 5 -0.333074023400E+03 0.11608E-03 -0.12490E-04 3818 0.304E-02 0.698E-02 RMM: 6 -0.333074000741E+03 0.22659E-04 -0.28924E-05 2640 0.159E-02 0.457E-02 RMM: 7 -0.333073998049E+03 0.26922E-05 -0.24732E-05 2557 0.151E-02 6985 T= 7107. E= 0.67570432E+03 F= 0.62319499E+03 E0= 0.65167135E+03 EK= 0.57874E+02 SP= -.57E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333157708435E+03 -0.83708E-01 -0.20329E-01 8840 0.249E+01 0.169E-01 RMM: 2 -0.333179278908E+03 -0.21570E-01 -0.19610E-01 5192 0.968E-01 0.688E-01 RMM: 3 -0.333175152962E+03 0.41259E-02 -0.17086E-02 6156 0.241E-01 0.147E-01 RMM: 4 -0.333174762103E+03 0.39086E-03 -0.70580E-04 4899 0.608E-02 0.108E-01 RMM: 5 -0.333174691285E+03 0.70818E-04 -0.10766E-04 3834 0.283E-02 0.736E-02 RMM: 6 -0.333174673933E+03 0.17352E-04 -0.30866E-05 2656 0.167E-02 6986 T= 7066. E= 0.67570432E+03 F= 0.62309432E+03 E0= 0.65157598E+03 EK= 0.57538E+02 SP= -.53E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332962949235E+03 0.21174E+00 -0.19983E-01 8776 0.248E+01 0.260E-01 RMM: 2 -0.332994516408E+03 -0.31567E-01 -0.20443E-01 5122 0.989E-01 0.137E+00 RMM: 3 -0.332980394846E+03 0.14122E-01 -0.19192E-02 5599 0.288E-01 0.217E-01 RMM: 4 -0.332979939196E+03 0.45565E-03 -0.13737E-03 5186 0.740E-02 0.988E-02 RMM: 5 -0.332979886366E+03 0.52830E-04 -0.15673E-04 4397 0.308E-02 0.771E-02 RMM: 6 -0.332979863652E+03 0.22714E-04 -0.28287E-05 2597 0.158E-02 0.593E-02 RMM: 7 -0.332979883535E+03 -0.19883E-04 -0.44093E-05 3059 0.192E-02 6987 T= 6986. E= 0.67570682E+03 F= 0.62328911E+03 E0= 0.65177452E+03 EK= 0.56890E+02 SP= -.48E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332528728748E+03 0.45113E+00 -0.18548E-01 8904 0.246E+01 0.277E-01 RMM: 2 -0.332557252759E+03 -0.28524E-01 -0.17679E-01 5136 0.935E-01 0.137E+00 RMM: 3 -0.332543501607E+03 0.13751E-01 -0.17315E-02 5559 0.280E-01 0.278E-01 RMM: 4 -0.332542892045E+03 0.60956E-03 -0.15856E-03 4884 0.863E-02 0.116E-01 RMM: 5 -0.332542898236E+03 -0.61904E-05 -0.23311E-04 3960 0.356E-02 0.128E-01 RMM: 6 -0.332542792149E+03 0.10609E-03 -0.58616E-05 3316 0.222E-02 0.418E-02 RMM: 7 -0.332542799446E+03 -0.72974E-05 -0.22887E-05 2560 0.144E-02 6988 T= 6875. E= 0.67571253E+03 F= 0.62372619E+03 E0= 0.65221424E+03 EK= 0.55989E+02 SP= -.44E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331937685549E+03 0.60511E+00 -0.17530E-01 8608 0.244E+01 0.273E-01 RMM: 2 -0.331968734179E+03 -0.31049E-01 -0.19643E-01 5054 0.100E+00 0.140E+00 RMM: 3 -0.331954529228E+03 0.14205E-01 -0.19828E-02 5648 0.290E-01 0.268E-01 RMM: 4 -0.331953869225E+03 0.66000E-03 -0.14509E-03 4961 0.809E-02 0.107E-01 RMM: 5 -0.331953824685E+03 0.44541E-04 -0.19984E-04 4038 0.333E-02 0.943E-02 RMM: 6 -0.331953774504E+03 0.50181E-04 -0.40159E-05 3005 0.188E-02 0.548E-02 RMM: 7 -0.331953779618E+03 -0.51139E-05 -0.25807E-05 2578 0.156E-02 6989 T= 6746. E= 0.67572073E+03 F= 0.62431521E+03 E0= 0.65280593E+03 EK= 0.54932E+02 SP= -.40E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331310709101E+03 0.64307E+00 -0.14567E-01 8776 0.241E+01 0.244E-01 RMM: 2 -0.331335005386E+03 -0.24296E-01 -0.15629E-01 5034 0.901E-01 0.123E+00 RMM: 3 -0.331324140454E+03 0.10865E-01 -0.16030E-02 5620 0.264E-01 0.260E-01 RMM: 4 -0.331323551222E+03 0.58923E-03 -0.12281E-03 4804 0.766E-02 0.974E-02 RMM: 5 -0.331323521294E+03 0.29928E-04 -0.17445E-04 3954 0.320E-02 0.923E-02 RMM: 6 -0.331323473815E+03 0.47480E-04 -0.35218E-05 2911 0.182E-02 0.496E-02 RMM: 7 -0.331323474764E+03 -0.94924E-06 -0.19390E-05 2519 0.138E-02 6990 T= 6611. E= 0.67572823E+03 F= 0.62494551E+03 E0= 0.65344042E+03 EK= 0.53833E+02 SP= -.35E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330743186276E+03 0.58029E+00 -0.12935E-01 8456 0.238E+01 0.266E-01 RMM: 2 -0.330768558253E+03 -0.25372E-01 -0.14650E-01 4997 0.877E-01 0.135E+00 RMM: 3 -0.330755437168E+03 0.13121E-01 -0.15793E-02 5472 0.273E-01 0.265E-01 RMM: 4 -0.330754895539E+03 0.54163E-03 -0.13758E-03 4884 0.784E-02 0.110E-01 RMM: 5 -0.330754855572E+03 0.39966E-04 -0.19528E-04 3920 0.353E-02 0.972E-02 RMM: 6 -0.330754793669E+03 0.61903E-04 -0.45310E-05 3094 0.201E-02 0.464E-02 RMM: 7 -0.330754795632E+03 -0.19626E-05 -0.19733E-05 2529 0.140E-02 6991 T= 6484. E= 0.67573390E+03 F= 0.62551419E+03 E0= 0.65401573E+03 EK= 0.52798E+02 SP= -.30E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330309677866E+03 0.44512E+00 -0.12043E-01 8088 0.237E+01 0.244E-01 RMM: 2 -0.330331169137E+03 -0.21491E-01 -0.13546E-01 4912 0.854E-01 0.119E+00 RMM: 3 -0.330320944917E+03 0.10224E-01 -0.14805E-02 5541 0.263E-01 0.237E-01 RMM: 4 -0.330320487292E+03 0.45763E-03 -0.11489E-03 4891 0.706E-02 0.948E-02 RMM: 5 -0.330320463518E+03 0.23775E-04 -0.15750E-04 3899 0.331E-02 0.925E-02 RMM: 6 -0.330320410746E+03 0.52771E-04 -0.39156E-05 3003 0.188E-02 0.443E-02 RMM: 7 -0.330320412586E+03 -0.18400E-05 -0.19868E-05 2525 0.141E-02 6992 T= 6374. E= 0.67573687E+03 F= 0.62594858E+03 E0= 0.65446010E+03 EK= 0.51904E+02 SP= -.26E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330043798420E+03 0.27661E+00 -0.11361E-01 8128 0.236E+01 0.231E-01 RMM: 2 -0.330062829517E+03 -0.19031E-01 -0.10963E-01 4987 0.770E-01 0.118E+00 RMM: 3 -0.330052837837E+03 0.99917E-02 -0.11576E-02 5492 0.234E-01 0.231E-01 RMM: 4 -0.330052420868E+03 0.41697E-03 -0.10089E-03 4701 0.691E-02 0.996E-02 RMM: 5 -0.330052393606E+03 0.27262E-04 -0.15193E-04 3888 0.323E-02 0.895E-02 RMM: 6 -0.330052340280E+03 0.53326E-04 -0.37018E-05 2951 0.187E-02 0.396E-02 RMM: 7 -0.330052341296E+03 -0.10159E-05 -0.16249E-05 2506 0.126E-02 6993 T= 6286. E= 0.67573734E+03 F= 0.62621665E+03 E0= 0.65474166E+03 EK= 0.51186E+02 SP= -.21E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329938221971E+03 0.11412E+00 -0.11381E-01 8072 0.236E+01 0.217E-01 RMM: 2 -0.329954832030E+03 -0.16610E-01 -0.10933E-01 4979 0.775E-01 0.102E+00 RMM: 3 -0.329947361168E+03 0.74709E-02 -0.11738E-02 5550 0.229E-01 0.227E-01 RMM: 4 -0.329946943401E+03 0.41777E-03 -0.89489E-04 4809 0.642E-02 0.855E-02 RMM: 5 -0.329946923677E+03 0.19725E-04 -0.13040E-04 3869 0.297E-02 6994 T= 6219. E= 0.67573695E+03 F= 0.62632207E+03 E0= 0.65486424E+03 EK= 0.50643E+02 SP= -.16E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329971269751E+03 -0.24326E-01 -0.11463E-01 8000 0.236E+01 0.156E-01 RMM: 2 -0.329984664053E+03 -0.13394E-01 -0.10613E-01 5220 0.731E-01 0.737E-01 RMM: 3 -0.329980326912E+03 0.43371E-02 -0.95276E-03 5830 0.186E-01 0.148E-01 RMM: 4 -0.329980083653E+03 0.24326E-03 -0.48231E-04 4398 0.494E-02 0.980E-02 RMM: 5 -0.329980034065E+03 0.49588E-04 -0.68199E-05 3442 0.239E-02 0.795E-02 RMM: 6 -0.329980015348E+03 0.18717E-04 -0.28941E-05 2585 0.162E-02 6995 T= 6171. E= 0.67573611E+03 F= 0.62628897E+03 E0= 0.65485153E+03 EK= 0.50252E+02 SP= -.12E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330116083521E+03 -0.13605E+00 -0.11333E-01 7808 0.236E+01 0.348E-01 RMM: 2 -0.330148896611E+03 -0.32813E-01 -0.10471E-01 5013 0.757E-01 0.190E+00 RMM: 3 -0.330123870150E+03 0.25026E-01 -0.16432E-02 5342 0.310E-01 0.316E-01 RMM: 4 -0.330123183642E+03 0.68651E-03 -0.17786E-03 4927 0.831E-02 0.115E-01 RMM: 5 -0.330123179400E+03 0.42417E-05 -0.24041E-04 3909 0.397E-02 0.120E-01 RMM: 6 -0.330123082133E+03 0.97267E-04 -0.65228E-05 3396 0.241E-02 0.449E-02 RMM: 7 -0.330123077428E+03 0.47045E-05 -0.16761E-05 2518 0.127E-02 6996 T= 6138. E= 0.67573489E+03 F= 0.62614591E+03 E0= 0.65473212E+03 EK= 0.49985E+02 SP= -.76E+00 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330345626458E+03 -0.22254E+00 -0.11575E-01 7728 0.236E+01 0.399E-01 RMM: 2 -0.330388287217E+03 -0.42661E-01 -0.11195E-01 5123 0.798E-01 0.225E+00 RMM: 3 -0.330353507145E+03 0.34780E-01 -0.18849E-02 5350 0.339E-01 0.356E-01 RMM: 4 -0.330352624403E+03 0.88274E-03 -0.21586E-03 4926 0.931E-02 0.132E-01 RMM: 5 -0.330352569242E+03 0.55161E-04 -0.26544E-04 3919 0.403E-02 0.120E-01 RMM: 6 -0.330352467404E+03 0.10184E-03 -0.71746E-05 3500 0.249E-02 0.468E-02 RMM: 7 -0.330352461701E+03 0.57030E-05 -0.19654E-05 2553 0.132E-02 6997 T= 6118. E= 0.67573418E+03 F= 0.62591653E+03 E0= 0.65452825E+03 EK= 0.49820E+02 SP= -.34E+00 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330645417540E+03 -0.29295E+00 -0.11915E-01 7848 0.236E+01 0.275E-01 RMM: 2 -0.330669639073E+03 -0.24222E-01 -0.98142E-02 5141 0.719E-01 0.155E+00 RMM: 3 -0.330653102003E+03 0.16537E-01 -0.11944E-02 5376 0.252E-01 0.283E-01 RMM: 4 -0.330652512512E+03 0.58949E-03 -0.12807E-03 4706 0.742E-02 0.925E-02 RMM: 5 -0.330652493775E+03 0.18737E-04 -0.16565E-04 3885 0.324E-02 6998 T= 6108. E= 0.67573452E+03 F= 0.62561650E+03 E0= 0.65425588E+03 EK= 0.49742E+02 SP= 0.62E-01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331007058039E+03 -0.35455E+00 -0.12255E-01 7968 0.235E+01 0.181E-01 RMM: 2 -0.331022224979E+03 -0.15167E-01 -0.10880E-01 5119 0.739E-01 0.887E-01 RMM: 3 -0.331016342013E+03 0.58830E-02 -0.10849E-02 5621 0.211E-01 0.193E-01 RMM: 4 -0.331016037656E+03 0.30436E-03 -0.68196E-04 4958 0.537E-02 0.918E-02 RMM: 5 -0.331015972485E+03 0.65171E-04 -0.74036E-05 3521 0.232E-02 0.809E-02 RMM: 6 -0.331015955463E+03 0.17022E-04 -0.34079E-05 2733 0.174E-02 6999 T= 6108. E= 0.67573492E+03 F= 0.62525303E+03 E0= 0.65391992E+03 EK= 0.49741E+02 SP= 0.45E+00 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331433256109E+03 -0.41728E+00 -0.12965E-01 7864 0.235E+01 0.365E-01 RMM: 2 -0.331474216357E+03 -0.40960E-01 -0.12271E-01 4877 0.837E-01 0.213E+00 RMM: 3 -0.331442651062E+03 0.31565E-01 -0.18246E-02 5354 0.326E-01 0.361E-01 RMM: 4 -0.331441749512E+03 0.90155E-03 -0.21834E-03 5088 0.964E-02 0.106E-01 RMM: 5 -0.331441795732E+03 -0.46219E-04 -0.28375E-04 3932 0.369E-02 0.142E-01 RMM: 6 -0.331441668553E+03 0.12718E-03 -0.75229E-05 3478 0.255E-02 0.457E-02 RMM: 7 -0.331441662236E+03 0.63169E-05 -0.18127E-05 2526 0.128E-02 7000 T= 6117. E= 0.67573451E+03 F= 0.62482733E+03 E0= 0.65352164E+03 EK= 0.49816E+02 SP= 0.82E+00 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331913767270E+03 -0.47210E+00 -0.12370E-01 8000 0.235E+01 0.405E-01 RMM: 2 -0.331965727713E+03 -0.51960E-01 -0.11922E-01 5089 0.820E-01 0.250E+00 RMM: 3 -0.331922649855E+03 0.43078E-01 -0.19811E-02 5355 0.345E-01 0.411E-01 RMM: 4 -0.331921437666E+03 0.12122E-02 -0.25226E-03 5165 0.106E-01 0.120E-01 RMM: 5 -0.331921424561E+03 0.13106E-04 -0.28615E-04 3921 0.375E-02 0.133E-01 RMM: 6 -0.331921295109E+03 0.12945E-03 -0.65366E-05 3415 0.232E-02 0.463E-02 RMM: 7 -0.331921295148E+03 -0.38175E-07 -0.25104E-05 2572 0.143E-02 7001 T= 6135. E= 0.67573254E+03 F= 0.62434769E+03 E0= 0.65306794E+03 EK= 0.49956E+02 SP= 0.12E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332412000007E+03 -0.49070E+00 -0.13272E-01 8160 0.234E+01 0.305E-01 RMM: 2 -0.332446004233E+03 -0.34004E-01 -0.11865E-01 4961 0.805E-01 0.187E+00 RMM: 3 -0.332421313481E+03 0.24691E-01 -0.14800E-02 5357 0.288E-01 0.274E-01 RMM: 4 -0.332420809913E+03 0.50357E-03 -0.15989E-03 5022 0.772E-02 0.882E-02 RMM: 5 -0.332420793656E+03 0.16257E-04 -0.16829E-04 3885 0.337E-02 7002 T= 6155. E= 0.67572845E+03 F= 0.62384820E+03 E0= 0.65259227E+03 EK= 0.50126E+02 SP= 0.15E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332860170363E+03 -0.43936E+00 -0.13353E-01 8576 0.234E+01 0.190E-01 RMM: 2 -0.332877432708E+03 -0.17262E-01 -0.10652E-01 5278 0.707E-01 0.106E+00 RMM: 3 -0.332869187764E+03 0.82449E-02 -0.91067E-03 5486 0.204E-01 0.208E-01 RMM: 4 -0.332868878647E+03 0.30912E-03 -0.79254E-04 4817 0.577E-02 0.989E-02 RMM: 5 -0.332868822535E+03 0.56112E-04 -0.88825E-05 3798 0.242E-02 0.839E-02 RMM: 6 -0.332868799879E+03 0.22657E-04 -0.25415E-05 2568 0.149E-02 0.760E-02 RMM: 7 -0.332868829624E+03 -0.29745E-04 -0.13800E-04 3895 0.276E-02 0.121E-01 RMM: 8 -0.332868739523E+03 0.90101E-04 -0.14273E-04 3888 0.281E-02 0.438E-02 RMM: 9 -0.332868730239E+03 0.92839E-05 -0.20080E-05 2548 0.128E-02 7003 T= 6171. E= 0.67572251E+03 F= 0.62340026E+03 E0= 0.65216404E+03 EK= 0.50254E+02 SP= 0.19E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333159067733E+03 -0.29033E+00 -0.14412E-01 8800 0.235E+01 0.235E-01 RMM: 2 -0.333173830679E+03 -0.14763E-01 -0.11790E-01 4936 0.750E-01 0.856E-01 RMM: 3 -0.333168402521E+03 0.54282E-02 -0.11005E-02 5780 0.216E-01 0.150E-01 RMM: 4 -0.333168521233E+03 -0.11871E-03 -0.90461E-04 4677 0.681E-02 0.242E-01 RMM: 5 -0.333168152454E+03 0.36878E-03 -0.20233E-04 3880 0.371E-02 0.884E-02 RMM: 6 -0.333168111403E+03 0.41050E-04 -0.57211E-05 3312 0.224E-02 0.417E-02 RMM: 7 -0.333168133128E+03 -0.21725E-04 -0.28858E-05 2636 0.159E-02 0.712E-02 RMM: 8 -0.333168104180E+03 0.28948E-04 -0.22890E-05 2569 0.156E-02 0.229E-02 RMM: 9 -0.333168104444E+03 -0.26400E-06 -0.84801E-06 2453 0.877E-03 7004 T= 6170. E= 0.67571539E+03 F= 0.62310088E+03 E0= 0.65188063E+03 EK= 0.50244E+02 SP= 0.22E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333210944940E+03 -0.42841E-01 -0.15912E-01 8904 0.234E+01 0.162E-01 RMM: 2 -0.333225905366E+03 -0.14960E-01 -0.12451E-01 5567 0.736E-01 0.721E-01 RMM: 3 -0.333221542982E+03 0.43624E-02 -0.86738E-03 5789 0.187E-01 0.161E-01 RMM: 4 -0.333221313319E+03 0.22966E-03 -0.57468E-04 4578 0.525E-02 0.983E-02 RMM: 5 -0.333221248453E+03 0.64865E-04 -0.73943E-05 3465 0.237E-02 0.640E-02 RMM: 6 -0.333221237736E+03 0.10718E-04 -0.20803E-05 2538 0.138E-02 7005 T= 6140. E= 0.67571106E+03 F= 0.62304775E+03 E0= 0.65183881E+03 EK= 0.50004E+02 SP= 0.25E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332955725016E+03 0.26552E+00 -0.16927E-01 8904 0.233E+01 0.231E-01 RMM: 2 -0.332978245269E+03 -0.22520E-01 -0.13086E-01 5734 0.740E-01 0.126E+00 RMM: 3 -0.332966661949E+03 0.11583E-01 -0.96733E-03 5386 0.227E-01 0.235E-01 RMM: 4 -0.332966332477E+03 0.32947E-03 -0.10077E-03 5131 0.590E-02 0.106E-01 RMM: 5 -0.332966274528E+03 0.57949E-04 -0.76245E-05 3527 0.245E-02 0.902E-02 RMM: 6 -0.332966257823E+03 0.16705E-04 -0.27409E-05 2590 0.155E-02 7006 T= 6075. E= 0.67571057E+03 F= 0.62330273E+03 E0= 0.65210122E+03 EK= 0.49474E+02 SP= 0.28E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332388942470E+03 0.57733E+00 -0.18038E-01 8912 0.232E+01 0.494E-01 RMM: 2 -0.332453152805E+03 -0.64210E-01 -0.16742E-01 5025 0.904E-01 0.274E+00 RMM: 3 -0.332401445559E+03 0.51707E-01 -0.27279E-02 5354 0.402E-01 0.519E-01 RMM: 4 -0.332399456482E+03 0.19891E-02 -0.35561E-03 5324 0.124E-01 0.121E-01 RMM: 5 -0.332399437490E+03 0.18992E-04 -0.41439E-04 4321 0.380E-02 0.121E-01 RMM: 6 -0.332399354778E+03 0.82712E-04 -0.51088E-05 3196 0.198E-02 0.683E-02 RMM: 7 -0.332399387472E+03 -0.32694E-04 -0.46632E-05 3162 0.189E-02 0.955E-02 RMM: 8 -0.332399358724E+03 0.28747E-04 -0.10159E-04 3873 0.223E-02 0.599E-02 RMM: 9 -0.332399340408E+03 0.18316E-04 -0.22444E-05 2623 0.132E-02 7007 T= 5975. E= 0.67571439E+03 F= 0.62386965E+03 E0= 0.65267201E+03 EK= 0.48655E+02 SP= 0.30E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331565254127E+03 0.83410E+00 -0.20335E-01 8944 0.228E+01 0.405E-01 RMM: 2 -0.331613791646E+03 -0.48538E-01 -0.18124E-01 5145 0.879E-01 0.218E+00 RMM: 3 -0.331579882623E+03 0.33909E-01 -0.22397E-02 5363 0.352E-01 0.424E-01 RMM: 4 -0.331578729834E+03 0.11528E-02 -0.29144E-03 5297 0.112E-01 0.169E-01 RMM: 5 -0.331578786053E+03 -0.56219E-04 -0.40295E-04 3971 0.452E-02 0.196E-01 RMM: 6 -0.331578545604E+03 0.24045E-03 -0.13449E-04 3858 0.326E-02 0.601E-02 RMM: 7 -0.331578565709E+03 -0.20105E-04 -0.49092E-05 3207 0.192E-02 0.779E-02 RMM: 8 -0.331578568756E+03 -0.30476E-05 -0.49771E-05 2969 0.191E-02 7008 T= 5846. E= 0.67572184E+03 F= 0.62469042E+03 E0= 0.65349254E+03 EK= 0.47609E+02 SP= 0.33E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330595959288E+03 0.98261E+00 -0.21723E-01 8968 0.224E+01 0.210E-01 RMM: 2 -0.330620571351E+03 -0.24612E-01 -0.18399E-01 5247 0.907E-01 0.105E+00 RMM: 3 -0.330612052403E+03 0.85189E-02 -0.15419E-02 5752 0.244E-01 0.212E-01 RMM: 4 -0.330611614296E+03 0.43811E-03 -0.10232E-03 4767 0.689E-02 0.104E-01 RMM: 5 -0.330611564930E+03 0.49365E-04 -0.14360E-04 4174 0.284E-02 0.798E-02 RMM: 6 -0.330611537693E+03 0.27237E-04 -0.27068E-05 2602 0.157E-02 0.542E-02 RMM: 7 -0.330611550941E+03 -0.13248E-04 -0.28215E-05 2652 0.156E-02 7009 T= 5703. E= 0.67573095E+03 F= 0.62565744E+03 E0= 0.65445673E+03 EK= 0.46446E+02 SP= 0.35E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329611141706E+03 0.10004E+01 -0.20883E-01 8960 0.220E+01 0.170E-01 RMM: 2 -0.329634502247E+03 -0.23361E-01 -0.20739E-01 5250 0.945E-01 0.743E-01 RMM: 3 -0.329630097545E+03 0.44047E-02 -0.19865E-02 6314 0.231E-01 0.141E-01 RMM: 4 -0.329629572855E+03 0.52469E-03 -0.79279E-04 4689 0.644E-02 0.115E-01 RMM: 5 -0.329629502629E+03 0.70226E-04 -0.12571E-04 3768 0.293E-02 0.678E-02 RMM: 6 -0.329629488326E+03 0.14303E-04 -0.26760E-05 2571 0.151E-02 7010 T= 5563. E= 0.67573965E+03 F= 0.62663950E+03 E0= 0.65543476E+03 EK= 0.45299E+02 SP= 0.37E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328736591395E+03 0.89291E+00 -0.23188E-01 8768 0.216E+01 0.259E-01 RMM: 2 -0.328770148862E+03 -0.33557E-01 -0.21891E-01 5054 0.998E-01 0.139E+00 RMM: 3 -0.328755675619E+03 0.14473E-01 -0.19988E-02 5592 0.289E-01 0.246E-01 RMM: 4 -0.328755170507E+03 0.50511E-03 -0.15720E-03 5273 0.766E-02 0.113E-01 RMM: 5 -0.328755108524E+03 0.61984E-04 -0.17742E-04 4001 0.333E-02 0.923E-02 RMM: 6 -0.328755073193E+03 0.35330E-04 -0.39798E-05 2988 0.182E-02 0.687E-02 RMM: 7 -0.328755113209E+03 -0.40015E-04 -0.66228E-05 3517 0.224E-02 0.102E-01 RMM: 8 -0.328755057742E+03 0.55467E-04 -0.97355E-05 3880 0.206E-02 0.447E-02 RMM: 9 -0.328755049633E+03 0.81091E-05 -0.20049E-05 2563 0.131E-02 7011 T= 5439. E= 0.67574591E+03 F= 0.62751394E+03 E0= 0.65630601E+03 EK= 0.44292E+02 SP= 0.39E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328065469526E+03 0.68959E+00 -0.19707E-01 8896 0.213E+01 0.307E-01 RMM: 2 -0.328096848631E+03 -0.31379E-01 -0.17917E-01 5141 0.879E-01 0.151E+00 RMM: 3 -0.328080229994E+03 0.16619E-01 -0.16210E-02 5551 0.267E-01 0.268E-01 RMM: 4 -0.328079770009E+03 0.45999E-03 -0.17687E-03 4805 0.912E-02 0.165E-01 RMM: 5 -0.328079721658E+03 0.48351E-04 -0.27317E-04 3930 0.384E-02 0.148E-01 RMM: 6 -0.328079580057E+03 0.14160E-03 -0.79867E-05 3561 0.258E-02 0.385E-02 RMM: 7 -0.328079593869E+03 -0.13812E-04 -0.28614E-05 2743 0.156E-02 7012 T= 5344. E= 0.67574926E+03 F= 0.62818940E+03 E0= 0.65698008E+03 EK= 0.43517E+02 SP= 0.40E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327643803737E+03 0.43578E+00 -0.18435E-01 8976 0.211E+01 0.234E-01 RMM: 2 -0.327669770387E+03 -0.25967E-01 -0.15447E-01 5486 0.781E-01 0.130E+00 RMM: 3 -0.327656741012E+03 0.13029E-01 -0.11820E-02 5510 0.226E-01 0.198E-01 RMM: 4 -0.327656438547E+03 0.30246E-03 -0.10799E-03 4911 0.653E-02 0.106E-01 RMM: 5 -0.327656395297E+03 0.43250E-04 -0.13472E-04 3918 0.282E-02 0.869E-02 RMM: 6 -0.327656350166E+03 0.45131E-04 -0.30750E-05 2848 0.165E-02 0.474E-02 RMM: 7 -0.327656373168E+03 -0.23002E-04 -0.41797E-05 3071 0.184E-02 0.797E-02 RMM: 8 -0.327656340129E+03 0.33039E-04 -0.46207E-05 2862 0.183E-02 0.386E-02 RMM: 9 -0.327656333469E+03 0.66597E-05 -0.15159E-05 2481 0.113E-02 7013 T= 5284. E= 0.67575045E+03 F= 0.62861266E+03 E0= 0.65740548E+03 EK= 0.43030E+02 SP= 0.41E+01 SK= 0.63E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327495377440E+03 0.16096E+00 -0.18677E-01 8984 0.210E+01 0.218E-01 RMM: 2 -0.327516045663E+03 -0.20668E-01 -0.15403E-01 5418 0.779E-01 0.997E-01 RMM: 3 -0.327508189739E+03 0.78559E-02 -0.11740E-02 5833 0.209E-01 0.156E-01 RMM: 4 -0.327508012672E+03 0.17707E-03 -0.87416E-04 4739 0.629E-02 0.150E-01 RMM: 5 -0.327507880668E+03 0.13200E-03 -0.14172E-04 3845 0.281E-02 0.860E-02 RMM: 6 -0.327507836479E+03 0.44188E-04 -0.35703E-05 3002 0.181E-02 0.393E-02 RMM: 7 -0.327507839529E+03 -0.30497E-05 -0.19331E-05 2521 0.130E-02 7014 T= 5262. E= 0.67575018E+03 F= 0.62876115E+03 E0= 0.65755932E+03 EK= 0.42854E+02 SP= 0.41E+01 SK= 0.17E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327624602437E+03 -0.11677E+00 -0.18814E-01 9024 0.210E+01 0.177E-01 RMM: 2 -0.327642578046E+03 -0.17976E-01 -0.14890E-01 5822 0.739E-01 0.785E-01 RMM: 3 -0.327637187292E+03 0.53908E-02 -0.91085E-03 5911 0.181E-01 0.168E-01 RMM: 4 -0.327636924216E+03 0.26308E-03 -0.60982E-04 4517 0.521E-02 0.960E-02 RMM: 5 -0.327636873977E+03 0.50239E-04 -0.81759E-05 3609 0.230E-02 0.664E-02 RMM: 6 -0.327636860065E+03 0.13912E-04 -0.22502E-05 2567 0.143E-02 7015 T= 5280. E= 0.67574911E+03 F= 0.62863213E+03 E0= 0.65743884E+03 EK= 0.42994E+02 SP= 0.41E+01 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328020879769E+03 -0.38401E+00 -0.19533E-01 8912 0.210E+01 0.249E-01 RMM: 2 -0.328047908303E+03 -0.27029E-01 -0.15653E-01 5660 0.767E-01 0.137E+00 RMM: 3 -0.328033861739E+03 0.14047E-01 -0.11485E-02 5420 0.234E-01 0.237E-01 RMM: 4 -0.328033488799E+03 0.37294E-03 -0.11924E-03 4932 0.668E-02 0.103E-01 RMM: 5 -0.328033439827E+03 0.48972E-04 -0.12943E-04 4075 0.264E-02 0.830E-02 RMM: 6 -0.328033409081E+03 0.30746E-04 -0.25112E-05 2638 0.151E-02 0.571E-02 RMM: 7 -0.328033433294E+03 -0.24213E-04 -0.39553E-05 2996 0.183E-02 0.842E-02 RMM: 8 -0.328033395781E+03 0.37512E-04 -0.71370E-05 3504 0.190E-02 0.415E-02 RMM: 9 -0.328033386429E+03 0.93519E-05 -0.15448E-05 2506 0.114E-02 7016 T= 5334. E= 0.67574663E+03 F= 0.62823560E+03 E0= 0.65705350E+03 EK= 0.43438E+02 SP= 0.41E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328662882329E+03 -0.62949E+00 -0.19155E-01 8880 0.212E+01 0.288E-01 RMM: 2 -0.328690736628E+03 -0.27854E-01 -0.15351E-01 5615 0.760E-01 0.145E+00 RMM: 3 -0.328675147989E+03 0.15589E-01 -0.11640E-02 5401 0.241E-01 0.303E-01 RMM: 4 -0.328674567484E+03 0.58051E-03 -0.15329E-03 4695 0.820E-02 0.123E-01 RMM: 5 -0.328674574275E+03 -0.67913E-05 -0.22494E-04 3911 0.360E-02 0.136E-01 RMM: 6 -0.328674454879E+03 0.11940E-03 -0.64817E-05 3396 0.236E-02 0.406E-02 RMM: 7 -0.328674459315E+03 -0.44354E-05 -0.22919E-05 2563 0.141E-02 7017 T= 5423. E= 0.67574342E+03 F= 0.62759453E+03 E0= 0.65642566E+03 EK= 0.44164E+02 SP= 0.40E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329511922727E+03 -0.83747E+00 -0.18554E-01 8928 0.215E+01 0.195E-01 RMM: 2 -0.329533872536E+03 -0.21950E-01 -0.14389E-01 6019 0.726E-01 0.112E+00 RMM: 3 -0.329523928942E+03 0.99436E-02 -0.83135E-03 5439 0.198E-01 0.160E-01 RMM: 4 -0.329523769919E+03 0.15902E-03 -0.81643E-04 5103 0.536E-02 0.972E-02 RMM: 5 -0.329523717299E+03 0.52620E-04 -0.75061E-05 3546 0.224E-02 0.734E-02 RMM: 6 -0.329523693957E+03 0.23342E-04 -0.24754E-05 2569 0.154E-02 0.511E-02 RMM: 7 -0.329523716421E+03 -0.22464E-04 -0.43919E-05 3095 0.182E-02 0.832E-02 RMM: 8 -0.329523675498E+03 0.40923E-04 -0.49472E-05 3103 0.190E-02 0.340E-02 RMM: 9 -0.329523670824E+03 0.46738E-05 -0.13675E-05 2481 0.103E-02 7018 T= 5542. E= 0.67573947E+03 F= 0.62674532E+03 E0= 0.65559123E+03 EK= 0.45133E+02 SP= 0.38E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330517624494E+03 -0.99395E+00 -0.18083E-01 8928 0.218E+01 0.190E-01 RMM: 2 -0.330537093825E+03 -0.19469E-01 -0.15283E-01 5469 0.771E-01 0.883E-01 RMM: 3 -0.330530419611E+03 0.66742E-02 -0.10430E-02 5749 0.202E-01 0.169E-01 RMM: 4 -0.330530195213E+03 0.22440E-03 -0.81941E-04 4722 0.631E-02 0.128E-01 RMM: 5 -0.330530107575E+03 0.87638E-04 -0.13076E-04 3852 0.284E-02 0.829E-02 RMM: 6 -0.330530065260E+03 0.42315E-04 -0.30769E-05 2870 0.171E-02 0.364E-02 RMM: 7 -0.330530068136E+03 -0.28760E-05 -0.17785E-05 2515 0.126E-02 7019 T= 5685. E= 0.67573370E+03 F= 0.62573892E+03 E0= 0.65459971E+03 EK= 0.46293E+02 SP= 0.36E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331612961923E+03 -0.10829E+01 -0.17020E-01 8904 0.222E+01 0.164E-01 RMM: 2 -0.331631719868E+03 -0.18758E-01 -0.15249E-01 5363 0.790E-01 0.810E-01 RMM: 3 -0.331625991821E+03 0.57280E-02 -0.11853E-02 5971 0.203E-01 0.138E-01 RMM: 4 -0.331625727034E+03 0.26479E-03 -0.64741E-04 4685 0.548E-02 0.101E-01 RMM: 5 -0.331625665138E+03 0.61896E-04 -0.87422E-05 3569 0.251E-02 0.646E-02 RMM: 6 -0.331625652171E+03 0.12967E-04 -0.23845E-05 2558 0.145E-02 7020 T= 5842. E= 0.67572700E+03 F= 0.62464334E+03 E0= 0.65351839E+03 EK= 0.47572E+02 SP= 0.34E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332715907570E+03 -0.10902E+01 -0.16027E-01 8712 0.226E+01 0.214E-01 RMM: 2 -0.332738284717E+03 -0.22377E-01 -0.16132E-01 5146 0.830E-01 0.104E+00 RMM: 3 -0.332729611231E+03 0.86735E-02 -0.14180E-02 5575 0.243E-01 0.208E-01 RMM: 4 -0.332729254372E+03 0.35686E-03 -0.10981E-03 5077 0.659E-02 0.108E-01 RMM: 5 -0.332729182733E+03 0.71640E-04 -0.13010E-04 3931 0.287E-02 0.738E-02 RMM: 6 -0.332729157879E+03 0.24854E-04 -0.26865E-05 2606 0.156E-02 0.541E-02 RMM: 7 -0.332729167805E+03 -0.99261E-05 -0.29111E-05 2626 0.160E-02 7021 T= 6003. E= 0.67571949E+03 F= 0.62353982E+03 E0= 0.65242706E+03 EK= 0.48887E+02 SP= 0.32E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333739819030E+03 -0.10107E+01 -0.14302E-01 8656 0.231E+01 0.281E-01 RMM: 2 -0.333768460689E+03 -0.28642E-01 -0.15770E-01 4968 0.849E-01 0.148E+00 RMM: 3 -0.333753024429E+03 0.15436E-01 -0.16407E-02 5608 0.263E-01 0.292E-01 RMM: 4 -0.333752326860E+03 0.69757E-03 -0.16286E-03 4787 0.876E-02 0.124E-01 RMM: 5 -0.333752312127E+03 0.14733E-04 -0.24125E-04 3901 0.380E-02 0.120E-01 RMM: 6 -0.333752217190E+03 0.94937E-04 -0.60649E-05 3347 0.228E-02 0.389E-02 RMM: 7 -0.333752219061E+03 -0.18710E-05 -0.19999E-05 2540 0.135E-02 7022 T= 6158. E= 0.67571282E+03 F= 0.62251677E+03 E0= 0.65141199E+03 EK= 0.50146E+02 SP= 0.29E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334600375986E+03 -0.84816E+00 -0.14625E-01 8496 0.234E+01 0.239E-01 RMM: 2 -0.334624795158E+03 -0.24419E-01 -0.16213E-01 5002 0.861E-01 0.120E+00 RMM: 3 -0.334613994781E+03 0.10800E-01 -0.15758E-02 5634 0.254E-01 0.219E-01 RMM: 4 -0.334613554187E+03 0.44059E-03 -0.12052E-03 4930 0.714E-02 0.111E-01 RMM: 5 -0.334613489453E+03 0.64734E-04 -0.16003E-04 3925 0.317E-02 0.844E-02 RMM: 6 -0.334613450403E+03 0.39050E-04 -0.35214E-05 2841 0.178E-02 0.506E-02 RMM: 7 -0.334613456849E+03 -0.64459E-05 -0.24297E-05 2564 0.145E-02 7023 T= 6295. E= 0.67570791E+03 F= 0.62165553E+03 E0= 0.65055321E+03 EK= 0.51263E+02 SP= 0.26E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335241118735E+03 -0.62767E+00 -0.13782E-01 8656 0.237E+01 0.204E-01 RMM: 2 -0.335261408302E+03 -0.20290E-01 -0.14315E-01 5064 0.804E-01 0.105E+00 RMM: 3 -0.335253176042E+03 0.82323E-02 -0.13158E-02 5870 0.224E-01 0.207E-01 RMM: 4 -0.335252750562E+03 0.42548E-03 -0.89688E-04 4739 0.658E-02 0.104E-01 RMM: 5 -0.335252701144E+03 0.49418E-04 -0.13357E-04 3833 0.296E-02 0.804E-02 RMM: 6 -0.335252666051E+03 0.35093E-04 -0.29683E-05 2752 0.167E-02 0.456E-02 RMM: 7 -0.335252670003E+03 -0.39522E-05 -0.19591E-05 2520 0.136E-02 7024 T= 6407. E= 0.67570510E+03 F= 0.62101632E+03 E0= 0.64991158E+03 EK= 0.52173E+02 SP= 0.24E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335627234026E+03 -0.37457E+00 -0.14281E-01 8376 0.239E+01 0.215E-01 RMM: 2 -0.335648737411E+03 -0.21503E-01 -0.15891E-01 4979 0.863E-01 0.102E+00 RMM: 3 -0.335640772146E+03 0.79653E-02 -0.15961E-02 5856 0.241E-01 0.188E-01 RMM: 4 -0.335640368337E+03 0.40381E-03 -0.98458E-04 4825 0.681E-02 0.124E-01 RMM: 5 -0.335640288341E+03 0.79996E-04 -0.14735E-04 3865 0.317E-02 0.823E-02 RMM: 6 -0.335640250377E+03 0.37964E-04 -0.35921E-05 2944 0.179E-02 0.475E-02 RMM: 7 -0.335640253746E+03 -0.33682E-05 -0.23946E-05 2561 0.146E-02 7025 T= 6489. E= 0.67570458E+03 F= 0.62062874E+03 E0= 0.64951606E+03 EK= 0.52842E+02 SP= 0.21E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335765775356E+03 -0.12552E+00 -0.14869E-01 8368 0.240E+01 0.202E-01 RMM: 2 -0.335787160113E+03 -0.21385E-01 -0.15337E-01 4970 0.850E-01 0.106E+00 RMM: 3 -0.335778942713E+03 0.82174E-02 -0.14795E-02 5867 0.236E-01 0.222E-01 RMM: 4 -0.335778438880E+03 0.50383E-03 -0.93993E-04 4774 0.674E-02 0.956E-02 RMM: 5 -0.335778394681E+03 0.44199E-04 -0.13350E-04 3859 0.296E-02 0.792E-02 RMM: 6 -0.335778362191E+03 0.32490E-04 -0.30448E-05 2767 0.166E-02 0.506E-02 RMM: 7 -0.335778368791E+03 -0.65997E-05 -0.28031E-05 2587 0.159E-02 7026 T= 6541. E= 0.67570553E+03 F= 0.62049062E+03 E0= 0.64936612E+03 EK= 0.53266E+02 SP= 0.18E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335678848564E+03 0.99514E-01 -0.14345E-01 8392 0.241E+01 0.196E-01 RMM: 2 -0.335698670323E+03 -0.19822E-01 -0.15053E-01 5023 0.827E-01 0.947E-01 RMM: 3 -0.335691565045E+03 0.71053E-02 -0.14312E-02 5797 0.229E-01 0.184E-01 RMM: 4 -0.335691188386E+03 0.37666E-03 -0.87382E-04 4880 0.637E-02 0.984E-02 RMM: 5 -0.335691138159E+03 0.50227E-04 -0.11729E-04 3820 0.277E-02 0.774E-02 RMM: 6 -0.335691105837E+03 0.32322E-04 -0.27633E-05 2660 0.160E-02 0.431E-02 RMM: 7 -0.335691109451E+03 -0.36133E-05 -0.17791E-05 2518 0.128E-02 7027 T= 6565. E= 0.67570730E+03 F= 0.62057788E+03 E0= 0.64943876E+03 EK= 0.53465E+02 SP= 0.15E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335400442383E+03 0.29066E+00 -0.13218E-01 8464 0.241E+01 0.202E-01 RMM: 2 -0.335418505208E+03 -0.18063E-01 -0.12444E-01 5078 0.746E-01 0.102E+00 RMM: 3 -0.335410601738E+03 0.79035E-02 -0.11204E-02 5704 0.219E-01 0.218E-01 RMM: 4 -0.335410211877E+03 0.38986E-03 -0.85076E-04 4781 0.617E-02 0.901E-02 RMM: 5 -0.335410173256E+03 0.38621E-04 -0.11449E-04 3782 0.282E-02 0.782E-02 RMM: 6 -0.335410137149E+03 0.36107E-04 -0.28454E-05 2740 0.162E-02 0.484E-02 RMM: 7 -0.335410142435E+03 -0.52858E-05 -0.25945E-05 2586 0.150E-02 7028 T= 6566. E= 0.67570901E+03 F= 0.62085885E+03 E0= 0.64970349E+03 EK= 0.53468E+02 SP= 0.12E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334955394897E+03 0.45474E+00 -0.12750E-01 8672 0.240E+01 0.200E-01 RMM: 2 -0.334971675420E+03 -0.16281E-01 -0.11087E-01 5128 0.701E-01 0.981E-01 RMM: 3 -0.334964216452E+03 0.74590E-02 -0.97389E-03 5512 0.211E-01 0.202E-01 RMM: 4 -0.334963928757E+03 0.28770E-03 -0.85220E-04 4870 0.592E-02 0.830E-02 RMM: 5 -0.334963898540E+03 0.30217E-04 -0.10297E-04 3696 0.270E-02 0.792E-02 RMM: 6 -0.334963862029E+03 0.36511E-04 -0.27056E-05 2704 0.160E-02 0.404E-02 RMM: 7 -0.334963864252E+03 -0.22225E-05 -0.16325E-05 2504 0.125E-02 7029 T= 6546. E= 0.67571052E+03 F= 0.62130513E+03 E0= 0.65013344E+03 EK= 0.53303E+02 SP= 0.95E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334365600403E+03 0.59826E+00 -0.12889E-01 8504 0.240E+01 0.208E-01 RMM: 2 -0.334383526764E+03 -0.17926E-01 -0.11366E-01 5072 0.714E-01 0.109E+00 RMM: 3 -0.334374630803E+03 0.88960E-02 -0.10377E-02 5525 0.220E-01 0.215E-01 RMM: 4 -0.334374299931E+03 0.33087E-03 -0.90656E-04 4935 0.606E-02 0.865E-02 RMM: 5 -0.334374264021E+03 0.35910E-04 -0.11029E-04 3758 0.283E-02 0.803E-02 RMM: 6 -0.334374225216E+03 0.38805E-04 -0.29980E-05 2805 0.167E-02 0.465E-02 RMM: 7 -0.334374231800E+03 -0.65839E-05 -0.23859E-05 2577 0.144E-02 7030 T= 6507. E= 0.67571121E+03 F= 0.62189476E+03 E0= 0.65070736E+03 EK= 0.52991E+02 SP= 0.67E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333647884637E+03 0.72634E+00 -0.12684E-01 8544 0.239E+01 0.218E-01 RMM: 2 -0.333665772416E+03 -0.17888E-01 -0.10909E-01 5110 0.708E-01 0.111E+00 RMM: 3 -0.333656600746E+03 0.91717E-02 -0.10185E-02 5475 0.220E-01 0.240E-01 RMM: 4 -0.333656194835E+03 0.40591E-03 -0.96282E-04 4813 0.639E-02 0.807E-02 RMM: 5 -0.333656181023E+03 0.13812E-04 -0.12611E-04 3812 0.297E-02 7031 T= 6453. E= 0.67571260E+03 F= 0.62261281E+03 E0= 0.65141033E+03 EK= 0.52549E+02 SP= 0.40E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332815176447E+03 0.84102E+00 -0.13064E-01 8456 0.238E+01 0.152E-01 RMM: 2 -0.332828419278E+03 -0.13243E-01 -0.11313E-01 5389 0.696E-01 0.663E-01 RMM: 3 -0.332824331102E+03 0.40882E-02 -0.83051E-03 5763 0.186E-01 0.168E-01 RMM: 4 -0.332824108795E+03 0.22231E-03 -0.54069E-04 4927 0.455E-02 0.966E-02 RMM: 5 -0.332824061031E+03 0.47764E-04 -0.48709E-05 3006 0.207E-02 0.908E-02 RMM: 6 -0.332824042024E+03 0.19007E-04 -0.35804E-05 2805 0.177E-02 7032 T= 6385. E= 0.67571454E+03 F= 0.62344495E+03 E0= 0.65222900E+03 EK= 0.51993E+02 SP= 0.12E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331888857477E+03 0.93520E+00 -0.12566E-01 8440 0.236E+01 0.345E-01 RMM: 2 -0.331931542328E+03 -0.42685E-01 -0.11364E-01 5036 0.723E-01 0.219E+00 RMM: 3 -0.331897125481E+03 0.34417E-01 -0.17067E-02 5382 0.314E-01 0.285E-01 RMM: 4 -0.331896569549E+03 0.55593E-03 -0.19331E-03 4949 0.855E-02 0.121E-01 RMM: 5 -0.331896560183E+03 0.93665E-05 -0.21617E-04 3887 0.361E-02 0.127E-01 RMM: 6 -0.331896462613E+03 0.97569E-04 -0.58159E-05 3288 0.229E-02 0.476E-02 RMM: 7 -0.331896457628E+03 0.49857E-05 -0.18827E-05 2521 0.138E-02 7033 T= 6305. E= 0.67571701E+03 F= 0.62437253E+03 E0= 0.65314414E+03 EK= 0.51343E+02 SP= -.16E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330888156682E+03 0.10083E+01 -0.12853E-01 8728 0.233E+01 0.448E-01 RMM: 2 -0.330947706842E+03 -0.59550E-01 -0.13993E-01 5244 0.835E-01 0.270E+00 RMM: 3 -0.330897992657E+03 0.49714E-01 -0.23055E-02 5371 0.373E-01 0.450E-01 RMM: 4 -0.330896482317E+03 0.15103E-02 -0.29017E-03 5151 0.111E-01 0.131E-01 RMM: 5 -0.330896443463E+03 0.38854E-04 -0.32682E-04 3957 0.400E-02 0.124E-01 RMM: 6 -0.330896334980E+03 0.10848E-03 -0.65231E-05 3425 0.224E-02 0.589E-02 RMM: 7 -0.330896330626E+03 0.43543E-05 -0.26245E-05 2600 0.152E-02 7034 T= 6217. E= 0.67571969E+03 F= 0.62537266E+03 E0= 0.65413342E+03 EK= 0.50624E+02 SP= -.45E+00 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329840737324E+03 0.10556E+01 -0.12883E-01 8872 0.231E+01 0.359E-01 RMM: 2 -0.329885872130E+03 -0.45135E-01 -0.12916E-01 5288 0.756E-01 0.224E+00 RMM: 3 -0.329850109664E+03 0.35762E-01 -0.17772E-02 5375 0.314E-01 0.302E-01 RMM: 4 -0.329849461508E+03 0.64816E-03 -0.19948E-03 4933 0.851E-02 0.110E-01 RMM: 5 -0.329849415769E+03 0.45739E-04 -0.19472E-04 3933 0.341E-02 0.105E-01 RMM: 6 -0.329849350735E+03 0.65034E-04 -0.37173E-05 2945 0.187E-02 0.529E-02 RMM: 7 -0.329849355494E+03 -0.47589E-05 -0.24257E-05 2563 0.155E-02 7035 T= 6123. E= 0.67572284E+03 F= 0.62641963E+03 E0= 0.65517109E+03 EK= 0.49865E+02 SP= -.75E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328776170993E+03 0.10732E+01 -0.13668E-01 8976 0.228E+01 0.279E-01 RMM: 2 -0.328804530063E+03 -0.28359E-01 -0.14218E-01 5276 0.774E-01 0.154E+00 RMM: 3 -0.328787431065E+03 0.17099E-01 -0.14415E-02 5427 0.265E-01 0.305E-01 RMM: 4 -0.328786778853E+03 0.65221E-03 -0.16127E-03 4759 0.826E-02 0.111E-01 RMM: 5 -0.328786748785E+03 0.30068E-04 -0.19637E-04 3922 0.343E-02 0.105E-01 RMM: 6 -0.328786675716E+03 0.73069E-04 -0.41618E-05 3009 0.189E-02 0.521E-02 RMM: 7 -0.328786677707E+03 -0.19911E-05 -0.24515E-05 2572 0.153E-02 7036 T= 6029. E= 0.67572615E+03 F= 0.62748231E+03 E0= 0.65622531E+03 EK= 0.49099E+02 SP= -.11E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327734067269E+03 0.10526E+01 -0.14657E-01 8952 0.226E+01 0.253E-01 RMM: 2 -0.327761035430E+03 -0.26968E-01 -0.15586E-01 5283 0.802E-01 0.139E+00 RMM: 3 -0.327746648321E+03 0.14387E-01 -0.14241E-02 5535 0.252E-01 0.238E-01 RMM: 4 -0.327746233544E+03 0.41478E-03 -0.13269E-03 4868 0.729E-02 0.105E-01 RMM: 5 -0.327746182196E+03 0.51348E-04 -0.15070E-04 4095 0.283E-02 0.905E-02 RMM: 6 -0.327746141716E+03 0.40480E-04 -0.27743E-05 2626 0.155E-02 0.570E-02 RMM: 7 -0.327746148766E+03 -0.70496E-05 -0.26445E-05 2619 0.155E-02 7037 T= 5939. E= 0.67572938E+03 F= 0.62852284E+03 E0= 0.65725743E+03 EK= 0.48368E+02 SP= -.14E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326763829673E+03 0.98231E+00 -0.15292E-01 9040 0.224E+01 0.199E-01 RMM: 2 -0.326785578630E+03 -0.21749E-01 -0.16423E-01 5445 0.806E-01 0.993E-01 RMM: 3 -0.326777459783E+03 0.81188E-02 -0.12140E-02 5635 0.223E-01 0.224E-01 RMM: 4 -0.326777086802E+03 0.37298E-03 -0.10533E-03 4792 0.677E-02 0.103E-01 RMM: 5 -0.326777041156E+03 0.45645E-04 -0.13403E-04 3883 0.274E-02 0.835E-02 RMM: 6 -0.326777010936E+03 0.30220E-04 -0.28418E-05 2655 0.154E-02 0.574E-02 RMM: 7 -0.326777023013E+03 -0.12077E-04 -0.26005E-05 2609 0.149E-02 7038 T= 5860. E= 0.67573337E+03 F= 0.62949197E+03 E0= 0.65821601E+03 EK= 0.47724E+02 SP= -.18E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325924433909E+03 0.85258E+00 -0.16577E-01 9120 0.221E+01 0.212E-01 RMM: 2 -0.325948696382E+03 -0.24262E-01 -0.18329E-01 5364 0.871E-01 0.104E+00 RMM: 3 -0.325939863387E+03 0.88330E-02 -0.13238E-02 5728 0.233E-01 0.198E-01 RMM: 4 -0.325939545852E+03 0.31754E-03 -0.10065E-03 4847 0.660E-02 0.113E-01 RMM: 5 -0.325939485663E+03 0.60189E-04 -0.12990E-04 4060 0.271E-02 0.873E-02 RMM: 6 -0.325939451364E+03 0.34299E-04 -0.26787E-05 2663 0.158E-02 0.565E-02 RMM: 7 -0.325939463399E+03 -0.12035E-04 -0.26259E-05 2619 0.150E-02 7039 T= 5800. E= 0.67573833E+03 F= 0.63032953E+03 E0= 0.65904002E+03 EK= 0.47230E+02 SP= -.21E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325289786806E+03 0.64966E+00 -0.16923E-01 9128 0.220E+01 0.186E-01 RMM: 2 -0.325310996398E+03 -0.21210E-01 -0.17736E-01 5817 0.833E-01 0.842E-01 RMM: 3 -0.325304829918E+03 0.61665E-02 -0.98325E-03 5745 0.204E-01 0.200E-01 RMM: 4 -0.325304528949E+03 0.30097E-03 -0.81102E-04 4774 0.598E-02 0.106E-01 RMM: 5 -0.325304474592E+03 0.54358E-04 -0.10318E-04 3762 0.254E-02 0.785E-02 RMM: 6 -0.325304452524E+03 0.22067E-04 -0.22140E-05 2581 0.144E-02 0.593E-02 RMM: 7 -0.325304464713E+03 -0.12189E-04 -0.29203E-05 2659 0.157E-02 7040 T= 5767. E= 0.67574284E+03 F= 0.63096452E+03 E0= 0.65965696E+03 EK= 0.46960E+02 SP= -.25E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324927941909E+03 0.37651E+00 -0.17974E-01 9064 0.219E+01 0.207E-01 RMM: 2 -0.324951739868E+03 -0.23798E-01 -0.19331E-01 5592 0.882E-01 0.931E-01 RMM: 3 -0.324944224177E+03 0.75157E-02 -0.12503E-02 5914 0.222E-01 0.201E-01 RMM: 4 -0.324943856681E+03 0.36750E-03 -0.88697E-04 4827 0.632E-02 0.108E-01 RMM: 5 -0.324943806856E+03 0.49825E-04 -0.11929E-04 3884 0.262E-02 0.860E-02 RMM: 6 -0.324943775493E+03 0.31363E-04 -0.25676E-05 2638 0.156E-02 0.581E-02 RMM: 7 -0.324943786746E+03 -0.11253E-04 -0.27465E-05 2618 0.154E-02 7041 T= 5770. E= 0.67574629E+03 F= 0.63132520E+03 E0= 0.65999566E+03 EK= 0.46988E+02 SP= -.30E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324902440828E+03 0.41335E-01 -0.17924E-01 9136 0.219E+01 0.208E-01 RMM: 2 -0.324927584818E+03 -0.25144E-01 -0.19044E-01 5868 0.852E-01 0.104E+00 RMM: 3 -0.324918387043E+03 0.91978E-02 -0.11037E-02 5564 0.221E-01 0.234E-01 RMM: 4 -0.324917992551E+03 0.39449E-03 -0.10450E-03 4894 0.652E-02 0.104E-01 RMM: 5 -0.324917941632E+03 0.50918E-04 -0.12573E-04 3872 0.274E-02 0.811E-02 RMM: 6 -0.324917913189E+03 0.28444E-04 -0.25187E-05 2686 0.151E-02 0.590E-02 RMM: 7 -0.324917924823E+03 -0.11634E-04 -0.29982E-05 2682 0.160E-02 7042 T= 5818. E= 0.67574803E+03 F= 0.63135106E+03 E0= 0.65999594E+03 EK= 0.47375E+02 SP= -.34E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325249295806E+03 -0.33138E+00 -0.18404E-01 9120 0.221E+01 0.231E-01 RMM: 2 -0.325275449413E+03 -0.26154E-01 -0.20136E-01 5548 0.905E-01 0.106E+00 RMM: 3 -0.325266195535E+03 0.92539E-02 -0.14633E-02 5763 0.243E-01 0.222E-01 RMM: 4 -0.325265767055E+03 0.42848E-03 -0.11479E-03 5006 0.678E-02 0.104E-01 RMM: 5 -0.325265722959E+03 0.44096E-04 -0.14968E-04 3900 0.289E-02 0.912E-02 RMM: 6 -0.325265680745E+03 0.42214E-04 -0.32968E-05 2901 0.172E-02 0.567E-02 RMM: 7 -0.325265689482E+03 -0.87369E-05 -0.26641E-05 2592 0.153E-02 7043 T= 5914. E= 0.67574792E+03 F= 0.63100330E+03 E0= 0.65962045E+03 EK= 0.48162E+02 SP= -.39E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325981778692E+03 -0.71610E+00 -0.18482E-01 9136 0.224E+01 0.219E-01 RMM: 2 -0.326007828043E+03 -0.26049E-01 -0.19923E-01 5669 0.878E-01 0.105E+00 RMM: 3 -0.325998437230E+03 0.93908E-02 -0.13487E-02 5640 0.235E-01 0.233E-01 RMM: 4 -0.325998021987E+03 0.41524E-03 -0.11576E-03 4987 0.667E-02 0.106E-01 RMM: 5 -0.325997961160E+03 0.60827E-04 -0.14058E-04 3882 0.284E-02 0.831E-02 RMM: 6 -0.325997930929E+03 0.30231E-04 -0.28527E-05 2791 0.159E-02 0.626E-02 RMM: 7 -0.325997937965E+03 -0.70354E-05 -0.39058E-05 2878 0.178E-02 7044 T= 6062. E= 0.67574575E+03 F= 0.63027105E+03 E0= 0.65885906E+03 EK= 0.49362E+02 SP= -.44E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327076827240E+03 -0.10789E+01 -0.19249E-01 9056 0.228E+01 0.228E-01 RMM: 2 -0.327102482490E+03 -0.25655E-01 -0.20555E-01 5497 0.929E-01 0.993E-01 RMM: 3 -0.327094291994E+03 0.81905E-02 -0.16100E-02 5880 0.248E-01 0.218E-01 RMM: 4 -0.327093863550E+03 0.42844E-03 -0.11483E-03 4936 0.688E-02 0.110E-01 RMM: 5 -0.327093808205E+03 0.55345E-04 -0.16670E-04 3900 0.299E-02 0.920E-02 RMM: 6 -0.327093765229E+03 0.42976E-04 -0.34779E-05 2946 0.175E-02 0.568E-02 RMM: 7 -0.327093770182E+03 -0.49524E-05 -0.31585E-05 2648 0.166E-02 7045 T= 6257. E= 0.67574113E+03 F= 0.62917522E+03 E0= 0.65773315E+03 EK= 0.50952E+02 SP= -.50E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328482221070E+03 -0.13885E+01 -0.19301E-01 9088 0.233E+01 0.217E-01 RMM: 2 -0.328507245016E+03 -0.25024E-01 -0.19654E-01 5588 0.905E-01 0.101E+00 RMM: 3 -0.328499020538E+03 0.82245E-02 -0.15156E-02 5888 0.235E-01 0.220E-01 RMM: 4 -0.328498632137E+03 0.38840E-03 -0.11185E-03 4818 0.680E-02 0.115E-01 RMM: 5 -0.328498556476E+03 0.75661E-04 -0.17486E-04 3876 0.305E-02 0.846E-02 RMM: 6 -0.328498524868E+03 0.31608E-04 -0.33592E-05 2920 0.171E-02 0.617E-02 RMM: 7 -0.328498521571E+03 0.32963E-05 -0.36720E-05 2704 0.174E-02 7046 T= 6493. E= 0.67573364E+03 F= 0.62777047E+03 E0= 0.65629787E+03 EK= 0.52875E+02 SP= -.55E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330107225486E+03 -0.16087E+01 -0.19355E-01 9016 0.239E+01 0.210E-01 RMM: 2 -0.330131683575E+03 -0.24458E-01 -0.20612E-01 5537 0.920E-01 0.884E-01 RMM: 3 -0.330124305763E+03 0.73778E-02 -0.14136E-02 6098 0.228E-01 0.199E-01 RMM: 4 -0.330123894136E+03 0.41163E-03 -0.92426E-04 4766 0.652E-02 0.122E-01 RMM: 5 -0.330123803039E+03 0.91097E-04 -0.14459E-04 3872 0.305E-02 0.860E-02 RMM: 6 -0.330123769420E+03 0.33620E-04 -0.33631E-05 2920 0.173E-02 0.578E-02 RMM: 7 -0.330123764652E+03 0.47680E-05 -0.32904E-05 2640 0.166E-02 7047 T= 6758. E= 0.67572408E+03 F= 0.62614522E+03 E0= 0.65464175E+03 EK= 0.55037E+02 SP= -.60E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331836166948E+03 -0.17124E+01 -0.19517E-01 9056 0.246E+01 0.217E-01 RMM: 2 -0.331861060222E+03 -0.24893E-01 -0.20832E-01 5471 0.942E-01 0.924E-01 RMM: 3 -0.331853528346E+03 0.75319E-02 -0.14813E-02 6163 0.230E-01 0.202E-01 RMM: 4 -0.331853088111E+03 0.44024E-03 -0.91408E-04 4748 0.677E-02 0.135E-01 RMM: 5 -0.331852973274E+03 0.11484E-03 -0.16301E-04 3881 0.334E-02 0.831E-02 RMM: 6 -0.331852942049E+03 0.31225E-04 -0.36344E-05 2970 0.179E-02 0.573E-02 RMM: 7 -0.331852931771E+03 0.10278E-04 -0.32339E-05 2604 0.166E-02 7048 T= 7038. E= 0.67571335E+03 F= 0.62441606E+03 E0= 0.65288225E+03 EK= 0.57313E+02 SP= -.66E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333536613231E+03 -0.16837E+01 -0.19663E-01 8960 0.252E+01 0.202E-01 RMM: 2 -0.333559886103E+03 -0.23273E-01 -0.20422E-01 5522 0.933E-01 0.798E-01 RMM: 3 -0.333553540383E+03 0.63457E-02 -0.13784E-02 6191 0.222E-01 0.183E-01 RMM: 4 -0.333553184291E+03 0.35609E-03 -0.82097E-04 4747 0.640E-02 0.142E-01 RMM: 5 -0.333553044245E+03 0.14005E-03 -0.15238E-04 3887 0.325E-02 0.800E-02 RMM: 6 -0.333553018398E+03 0.25847E-04 -0.35583E-05 2969 0.176E-02 0.596E-02 RMM: 7 -0.333553000687E+03 0.17710E-04 -0.39751E-05 2663 0.180E-02 7049 T= 7314. E= 0.67570191E+03 F= 0.62271599E+03 E0= 0.65115251E+03 EK= 0.59560E+02 SP= -.71E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335068868239E+03 -0.15158E+01 -0.20002E-01 8832 0.257E+01 0.221E-01 RMM: 2 -0.335093562253E+03 -0.24694E-01 -0.21160E-01 5392 0.977E-01 0.890E-01 RMM: 3 -0.335086484969E+03 0.70773E-02 -0.15774E-02 6226 0.238E-01 0.198E-01 RMM: 4 -0.335086051064E+03 0.43391E-03 -0.90682E-04 4721 0.704E-02 0.149E-01 RMM: 5 -0.335085904679E+03 0.14638E-03 -0.17699E-04 3890 0.359E-02 0.838E-02 RMM: 6 -0.335085873838E+03 0.30841E-04 -0.39829E-05 3022 0.189E-02 0.576E-02 RMM: 7 -0.335085861717E+03 0.12121E-04 -0.37611E-05 2642 0.177E-02 7050 T= 7567. E= 0.67569123E+03 F= 0.62118313E+03 E0= 0.64959151E+03 EK= 0.61625E+02 SP= -.75E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336305326674E+03 -0.12195E+01 -0.19922E-01 8880 0.262E+01 0.202E-01 RMM: 2 -0.336328229971E+03 -0.22903E-01 -0.20433E-01 5434 0.953E-01 0.764E-01 RMM: 3 -0.336322294168E+03 0.59358E-02 -0.14240E-02 6230 0.231E-01 0.183E-01 RMM: 4 -0.336321977994E+03 0.31617E-03 -0.81941E-04 4742 0.663E-02 0.153E-01 RMM: 5 -0.336321804347E+03 0.17365E-03 -0.16363E-04 3884 0.342E-02 0.756E-02 RMM: 6 -0.336321783202E+03 0.21145E-04 -0.37778E-05 2970 0.182E-02 0.599E-02 RMM: 7 -0.336321763323E+03 0.19879E-04 -0.45831E-05 2788 0.189E-02 7051 T= 7781. E= 0.67568181E+03 F= 0.61994723E+03 E0= 0.64832893E+03 EK= 0.63363E+02 SP= -.80E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337134882473E+03 -0.81310E+00 -0.20033E-01 8720 0.265E+01 0.214E-01 RMM: 2 -0.337158390175E+03 -0.23508E-01 -0.20701E-01 5271 0.973E-01 0.811E-01 RMM: 3 -0.337152121175E+03 0.62690E-02 -0.15942E-02 6232 0.245E-01 0.178E-01 RMM: 4 -0.337151796436E+03 0.32474E-03 -0.87833E-04 4757 0.702E-02 0.162E-01 RMM: 5 -0.337151617710E+03 0.17873E-03 -0.17462E-04 3904 0.359E-02 0.811E-02 RMM: 6 -0.337151587856E+03 0.29854E-04 -0.42647E-05 3052 0.195E-02 0.550E-02 RMM: 7 -0.337151578410E+03 0.94463E-05 -0.41716E-05 2717 0.184E-02 7052 T= 7939. E= 0.67567462E+03 F= 0.61911741E+03 E0= 0.64747387E+03 EK= 0.64650E+02 SP= -.83E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337485233441E+03 -0.33365E+00 -0.19235E-01 8808 0.267E+01 0.203E-01 RMM: 2 -0.337507191905E+03 -0.21958E-01 -0.19559E-01 5306 0.940E-01 0.756E-01 RMM: 3 -0.337501484442E+03 0.57075E-02 -0.13984E-02 6113 0.240E-01 0.176E-01 RMM: 4 -0.337501263861E+03 0.22058E-03 -0.82828E-04 4790 0.665E-02 0.154E-01 RMM: 5 -0.337501084094E+03 0.17977E-03 -0.15198E-04 3889 0.333E-02 0.736E-02 RMM: 6 -0.337501061781E+03 0.22313E-04 -0.38881E-05 2960 0.185E-02 0.544E-02 RMM: 7 -0.337501051242E+03 0.10539E-04 -0.44221E-05 2723 0.188E-02 7053 T= 8031. E= 0.67567071E+03 F= 0.61876794E+03 E0= 0.64709994E+03 EK= 0.65400E+02 SP= -.87E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337324825651E+03 0.17624E+00 -0.19689E-01 8696 0.268E+01 0.208E-01 RMM: 2 -0.337347895855E+03 -0.23070E-01 -0.20367E-01 5215 0.977E-01 0.783E-01 RMM: 3 -0.337341971219E+03 0.59246E-02 -0.16322E-02 6137 0.254E-01 0.162E-01 RMM: 4 -0.337341739886E+03 0.23133E-03 -0.86139E-04 4774 0.699E-02 0.166E-01 RMM: 5 -0.337341549505E+03 0.19038E-03 -0.15795E-04 3907 0.342E-02 0.771E-02 RMM: 6 -0.337341521937E+03 0.27568E-04 -0.41068E-05 3014 0.192E-02 0.493E-02 RMM: 7 -0.337341522778E+03 -0.84081E-06 -0.37285E-05 2657 0.177E-02 7054 T= 8053. E= 0.67567056E+03 F= 0.61892747E+03 E0= 0.64723531E+03 EK= 0.65576E+02 SP= -.89E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336682307415E+03 0.65921E+00 -0.18645E-01 8520 0.267E+01 0.205E-01 RMM: 2 -0.336703197759E+03 -0.20890E-01 -0.18617E-01 5478 0.919E-01 0.748E-01 RMM: 3 -0.336697607751E+03 0.55900E-02 -0.12895E-02 6113 0.234E-01 0.155E-01 RMM: 4 -0.336697488537E+03 0.11921E-03 -0.73802E-04 4747 0.632E-02 0.163E-01 RMM: 5 -0.336697292592E+03 0.19595E-03 -0.12993E-04 3837 0.309E-02 0.711E-02 RMM: 6 -0.336697271234E+03 0.21358E-04 -0.35224E-05 2888 0.180E-02 0.487E-02 RMM: 7 -0.336697271887E+03 -0.65276E-06 -0.38589E-05 2659 0.173E-02 7055 T= 8006. E= 0.67567435E+03 F= 0.61957172E+03 E0= 0.64785601E+03 EK= 0.65197E+02 SP= -.92E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335630503488E+03 0.10668E+01 -0.18275E-01 8320 0.265E+01 0.204E-01 RMM: 2 -0.335650689447E+03 -0.20186E-01 -0.17510E-01 5509 0.907E-01 0.771E-01 RMM: 3 -0.335645164501E+03 0.55249E-02 -0.12782E-02 5976 0.232E-01 0.158E-01 RMM: 4 -0.335645038931E+03 0.12557E-03 -0.75569E-04 4730 0.647E-02 0.165E-01 RMM: 5 -0.335644845644E+03 0.19329E-03 -0.13485E-04 3837 0.310E-02 0.733E-02 RMM: 6 -0.335644821623E+03 0.24021E-04 -0.34598E-05 2904 0.179E-02 0.482E-02 RMM: 7 -0.335644825820E+03 -0.41971E-05 -0.35762E-05 2646 0.173E-02 7056 T= 7901. E= 0.67568152E+03 F= 0.62062416E+03 E0= 0.64888645E+03 EK= 0.64340E+02 SP= -.93E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334290553153E+03 0.13543E+01 -0.17368E-01 8352 0.262E+01 0.200E-01 RMM: 2 -0.334309343252E+03 -0.18790E-01 -0.16634E-01 5535 0.888E-01 0.733E-01 RMM: 3 -0.334304198144E+03 0.51451E-02 -0.11882E-02 6125 0.226E-01 0.148E-01 RMM: 4 -0.334304098889E+03 0.99255E-04 -0.67276E-04 4717 0.608E-02 0.162E-01 RMM: 5 -0.334303908504E+03 0.19038E-03 -0.12097E-04 3761 0.300E-02 0.698E-02 RMM: 6 -0.334303889229E+03 0.19276E-04 -0.32381E-05 2834 0.174E-02 7057 T= 7752. E= 0.67569162E+03 F= 0.62196510E+03 E0= 0.65020971E+03 EK= 0.63130E+02 SP= -.94E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332807939967E+03 0.14960E+01 -0.16572E-01 8160 0.258E+01 0.216E-01 RMM: 2 -0.332832231859E+03 -0.24292E-01 -0.17421E-01 5220 0.927E-01 0.109E+00 RMM: 3 -0.332822562725E+03 0.96691E-02 -0.15295E-02 5619 0.266E-01 0.181E-01 RMM: 4 -0.332822337646E+03 0.22508E-03 -0.97615E-04 4856 0.674E-02 0.127E-01 RMM: 5 -0.332822211359E+03 0.12629E-03 -0.12773E-04 4122 0.297E-02 0.719E-02 RMM: 6 -0.332822201181E+03 0.10178E-04 -0.33274E-05 2728 0.169E-02 7058 T= 7579. E= 0.67570302E+03 F= 0.62344679E+03 E0= 0.65168045E+03 EK= 0.61722E+02 SP= -.95E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331342108180E+03 0.14801E+01 -0.15353E-01 8016 0.255E+01 0.374E-01 RMM: 2 -0.331387884978E+03 -0.45777E-01 -0.16585E-01 4991 0.959E-01 0.213E+00 RMM: 3 -0.331354955555E+03 0.32929E-01 -0.21436E-02 5386 0.351E-01 0.338E-01 RMM: 4 -0.331354135178E+03 0.82038E-03 -0.23233E-03 5225 0.100E-01 0.108E-01 RMM: 5 -0.331354095983E+03 0.39194E-04 -0.25681E-04 4122 0.333E-02 0.111E-01 RMM: 6 -0.331354021046E+03 0.74937E-04 -0.54855E-05 3250 0.218E-02 0.490E-02 RMM: 7 -0.331354037199E+03 -0.16153E-04 -0.44731E-05 2963 0.179E-02 7059 T= 7402. E= 0.67571347E+03 F= 0.62491495E+03 E0= 0.65314738E+03 EK= 0.60277E+02 SP= -.95E+01 SK= 0.78E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.330027208107E+03 0.13268E+01 -0.14234E-01 7992 0.253E+01 0.314E-01 RMM: 2 -0.330058125744E+03 -0.30918E-01 -0.15411E-01 4963 0.913E-01 0.159E+00 RMM: 3 -0.330039780305E+03 0.18345E-01 -0.18019E-02 5398 0.313E-01 0.350E-01 RMM: 4 -0.330038956235E+03 0.82407E-03 -0.19933E-03 5156 0.957E-02 0.120E-01 RMM: 5 -0.330038929004E+03 0.27231E-04 -0.26116E-04 3908 0.382E-02 0.122E-01 RMM: 6 -0.330038825275E+03 0.10373E-03 -0.64677E-05 3403 0.232E-02 0.461E-02 RMM: 7 -0.330038824685E+03 0.59040E-06 -0.21140E-05 2543 0.135E-02 7060 T= 7238. E= 0.67572169E+03 F= 0.62623016E+03 E0= 0.65447220E+03 EK= 0.58944E+02 SP= -.95E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328969626264E+03 0.10692E+01 -0.13906E-01 7856 0.251E+01 0.237E-01 RMM: 2 -0.328991251914E+03 -0.21626E-01 -0.15453E-01 4896 0.930E-01 0.110E+00 RMM: 3 -0.328982560648E+03 0.86913E-02 -0.16979E-02 5747 0.275E-01 0.192E-01 RMM: 4 -0.328982203144E+03 0.35750E-03 -0.10667E-03 5086 0.672E-02 0.101E-01 RMM: 5 -0.328982141326E+03 0.61818E-04 -0.12686E-04 3873 0.312E-02 0.854E-02 RMM: 6 -0.328982103928E+03 0.37398E-04 -0.34883E-05 2847 0.177E-02 0.557E-02 RMM: 7 -0.328982109663E+03 -0.57358E-05 -0.46795E-05 3063 0.195E-02 7061 T= 7102. E= 0.67572701E+03 F= 0.62728688E+03 E0= 0.65554993E+03 EK= 0.57836E+02 SP= -.94E+01 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328237621297E+03 0.74448E+00 -0.13105E-01 7944 0.250E+01 0.243E-01 RMM: 2 -0.328259164608E+03 -0.21543E-01 -0.14021E-01 4906 0.904E-01 0.118E+00 RMM: 3 -0.328249459960E+03 0.97046E-02 -0.15963E-02 5672 0.267E-01 0.238E-01 RMM: 4 -0.328248972403E+03 0.48756E-03 -0.11233E-03 4834 0.740E-02 0.104E-01 RMM: 5 -0.328248945070E+03 0.27334E-04 -0.16746E-04 3887 0.332E-02 0.103E-01 RMM: 6 -0.328248877944E+03 0.67125E-04 -0.46770E-05 3139 0.203E-02 0.424E-02 RMM: 7 -0.328248880921E+03 -0.29765E-05 -0.19072E-05 2522 0.137E-02 7062 T= 7002. E= 0.67572948E+03 F= 0.62802011E+03 E0= 0.65631359E+03 EK= 0.57024E+02 SP= -.93E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327853097752E+03 0.39578E+00 -0.12313E-01 7760 0.250E+01 0.230E-01 RMM: 2 -0.327872298411E+03 -0.19201E-01 -0.13702E-01 4952 0.886E-01 0.104E+00 RMM: 3 -0.327864666883E+03 0.76315E-02 -0.14917E-02 5712 0.253E-01 0.232E-01 RMM: 4 -0.327864204326E+03 0.46256E-03 -0.96858E-04 4817 0.684E-02 0.955E-02 RMM: 5 -0.327864160570E+03 0.43756E-04 -0.14519E-04 3902 0.302E-02 0.898E-02 RMM: 6 -0.327864113575E+03 0.46995E-04 -0.37897E-05 2997 0.184E-02 0.444E-02 RMM: 7 -0.327864118754E+03 -0.51790E-05 -0.23759E-05 2550 0.149E-02 7063 T= 6943. E= 0.67573015E+03 F= 0.62840487E+03 E0= 0.65673593E+03 EK= 0.56539E+02 SP= -.92E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327807859780E+03 0.56254E-01 -0.12030E-01 7696 0.251E+01 0.246E-01 RMM: 2 -0.327828714624E+03 -0.20855E-01 -0.13877E-01 4894 0.905E-01 0.115E+00 RMM: 3 -0.327819533421E+03 0.91812E-02 -0.15820E-02 5665 0.262E-01 0.210E-01 RMM: 4 -0.327819146235E+03 0.38719E-03 -0.10590E-03 4808 0.709E-02 0.110E-01 RMM: 5 -0.327819111715E+03 0.34520E-04 -0.16026E-04 3887 0.324E-02 0.104E-01 RMM: 6 -0.327819044800E+03 0.66915E-04 -0.49069E-05 3178 0.205E-02 0.412E-02 RMM: 7 -0.327819050758E+03 -0.59582E-05 -0.21058E-05 2531 0.144E-02 7064 T= 6923. E= 0.67572901E+03 F= 0.62844994E+03 E0= 0.65682206E+03 EK= 0.56374E+02 SP= -.91E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328067260767E+03 -0.24822E+00 -0.12244E-01 7616 0.251E+01 0.233E-01 RMM: 2 -0.328085783406E+03 -0.18523E-01 -0.14077E-01 4949 0.894E-01 0.973E-01 RMM: 3 -0.328079234188E+03 0.65492E-02 -0.15699E-02 5789 0.248E-01 0.188E-01 RMM: 4 -0.328078894774E+03 0.33941E-03 -0.93128E-04 4797 0.674E-02 0.134E-01 RMM: 5 -0.328078801743E+03 0.93031E-04 -0.15073E-04 3884 0.318E-02 0.924E-02 RMM: 6 -0.328078749905E+03 0.51838E-04 -0.41812E-05 3057 0.192E-02 0.406E-02 RMM: 7 -0.328078752907E+03 -0.30020E-05 -0.21342E-05 2527 0.143E-02 7065 T= 6938. E= 0.67572655E+03 F= 0.62819024E+03 E0= 0.65660571E+03 EK= 0.56496E+02 SP= -.90E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328578230090E+03 -0.49948E+00 -0.12592E-01 7624 0.252E+01 0.234E-01 RMM: 2 -0.328598467042E+03 -0.20237E-01 -0.14871E-01 4960 0.915E-01 0.104E+00 RMM: 3 -0.328590926560E+03 0.75405E-02 -0.16350E-02 5815 0.251E-01 0.184E-01 RMM: 4 -0.328590570878E+03 0.35568E-03 -0.95955E-04 4781 0.693E-02 0.130E-01 RMM: 5 -0.328590488519E+03 0.82359E-04 -0.15000E-04 3883 0.312E-02 0.956E-02 RMM: 6 -0.328590433379E+03 0.55141E-04 -0.42789E-05 3082 0.194E-02 0.420E-02 RMM: 7 -0.328590437438E+03 -0.40588E-05 -0.22094E-05 2536 0.144E-02 7066 T= 6981. E= 0.67572296E+03 F= 0.62767855E+03 E0= 0.65613848E+03 EK= 0.56850E+02 SP= -.89E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329275003353E+03 -0.68457E+00 -0.12368E-01 7616 0.252E+01 0.221E-01 RMM: 2 -0.329294448951E+03 -0.19446E-01 -0.15510E-01 5001 0.919E-01 0.918E-01 RMM: 3 -0.329288527261E+03 0.59217E-02 -0.16677E-02 5878 0.244E-01 0.183E-01 RMM: 4 -0.329288170488E+03 0.35677E-03 -0.88589E-04 4787 0.676E-02 0.143E-01 RMM: 5 -0.329288036264E+03 0.13422E-03 -0.14710E-04 3888 0.316E-02 0.783E-02 RMM: 6 -0.329288002894E+03 0.33370E-04 -0.35018E-05 2937 0.176E-02 0.451E-02 RMM: 7 -0.329288003277E+03 -0.38320E-06 -0.23797E-05 2548 0.148E-02 7067 T= 7045. E= 0.67571869E+03 F= 0.62698099E+03 E0= 0.65548682E+03 EK= 0.57368E+02 SP= -.87E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330081772229E+03 -0.79377E+00 -0.12617E-01 7728 0.253E+01 0.214E-01 RMM: 2 -0.330102630409E+03 -0.20858E-01 -0.17063E-01 4954 0.960E-01 0.899E-01 RMM: 3 -0.330096950725E+03 0.56797E-02 -0.18998E-02 5960 0.252E-01 0.166E-01 RMM: 4 -0.330096563704E+03 0.38702E-03 -0.90267E-04 4825 0.691E-02 0.142E-01 RMM: 5 -0.330096436399E+03 0.12730E-03 -0.14354E-04 3868 0.313E-02 0.832E-02 RMM: 6 -0.330096399015E+03 0.37383E-04 -0.36715E-05 2952 0.180E-02 0.470E-02 RMM: 7 -0.330096397931E+03 0.10840E-05 -0.27104E-05 2575 0.155E-02 7068 T= 7119. E= 0.67571322E+03 F= 0.62617259E+03 E0= 0.65472554E+03 EK= 0.57972E+02 SP= -.85E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330914550856E+03 -0.81815E+00 -0.13218E-01 7736 0.254E+01 0.206E-01 RMM: 2 -0.330936445522E+03 -0.21895E-01 -0.18469E-01 4867 0.101E+00 0.865E-01 RMM: 3 -0.330931243229E+03 0.52023E-02 -0.21079E-02 6019 0.263E-01 0.180E-01 RMM: 4 -0.330930748432E+03 0.49480E-03 -0.90771E-04 4817 0.713E-02 0.136E-01 RMM: 5 -0.330930618583E+03 0.12985E-03 -0.14943E-04 3948 0.332E-02 0.745E-02 RMM: 6 -0.330930591722E+03 0.26861E-04 -0.34094E-05 2860 0.173E-02 0.507E-02 RMM: 7 -0.330930586521E+03 0.52012E-05 -0.26692E-05 2571 0.154E-02 7069 T= 7193. E= 0.67570703E+03 F= 0.62533840E+03 E0= 0.65393999E+03 EK= 0.58572E+02 SP= -.83E+01 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331685058593E+03 -0.75447E+00 -0.12957E-01 7928 0.254E+01 0.194E-01 RMM: 2 -0.331704498771E+03 -0.19440E-01 -0.16938E-01 4916 0.952E-01 0.773E-01 RMM: 3 -0.331700263929E+03 0.42348E-02 -0.18722E-02 6056 0.250E-01 0.147E-01 RMM: 4 -0.331699900671E+03 0.36326E-03 -0.79158E-04 4773 0.661E-02 0.145E-01 RMM: 5 -0.331699757191E+03 0.14348E-03 -0.13187E-04 3860 0.317E-02 0.736E-02 RMM: 6 -0.331699731048E+03 0.26143E-04 -0.31686E-05 2740 0.167E-02 0.499E-02 RMM: 7 -0.331699719589E+03 0.11460E-04 -0.34806E-05 2643 0.170E-02 7070 T= 7254. E= 0.67570070E+03 F= 0.62456927E+03 E0= 0.65321976E+03 EK= 0.59075E+02 SP= -.81E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332300464339E+03 -0.60073E+00 -0.14421E-01 7744 0.254E+01 0.196E-01 RMM: 2 -0.332322755752E+03 -0.22291E-01 -0.19287E-01 4955 0.101E+00 0.821E-01 RMM: 3 -0.332317834053E+03 0.49217E-02 -0.20813E-02 6109 0.256E-01 0.184E-01 RMM: 4 -0.332317317116E+03 0.51694E-03 -0.88040E-04 4753 0.714E-02 0.134E-01 RMM: 5 -0.332317181727E+03 0.13539E-03 -0.14504E-04 3927 0.325E-02 0.730E-02 RMM: 6 -0.332317157189E+03 0.24538E-04 -0.34053E-05 2874 0.173E-02 0.530E-02 RMM: 7 -0.332317144458E+03 0.12731E-04 -0.36868E-05 2648 0.174E-02 7071 T= 7294. E= 0.67569562E+03 F= 0.62395184E+03 E0= 0.65264993E+03 EK= 0.59394E+02 SP= -.78E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332702213881E+03 -0.38506E+00 -0.14160E-01 7904 0.254E+01 0.188E-01 RMM: 2 -0.332720976522E+03 -0.18763E-01 -0.16657E-01 5051 0.922E-01 0.727E-01 RMM: 3 -0.332716741482E+03 0.42350E-02 -0.16658E-02 6140 0.238E-01 0.156E-01 RMM: 4 -0.332716396848E+03 0.34463E-03 -0.71577E-04 4705 0.633E-02 0.140E-01 RMM: 5 -0.332716252451E+03 0.14440E-03 -0.12269E-04 3799 0.299E-02 0.704E-02 RMM: 6 -0.332716231128E+03 0.21323E-04 -0.28913E-05 2644 0.161E-02 0.498E-02 RMM: 7 -0.332716220331E+03 0.10797E-04 -0.40182E-05 2684 0.175E-02 7072 T= 7302. E= 0.67569248E+03 F= 0.62355277E+03 E0= 0.65229454E+03 EK= 0.59462E+02 SP= -.75E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332846429420E+03 -0.13020E+00 -0.14352E-01 7792 0.253E+01 0.197E-01 RMM: 2 -0.332866427819E+03 -0.19998E-01 -0.17100E-01 4993 0.938E-01 0.807E-01 RMM: 3 -0.332861380904E+03 0.50469E-02 -0.17655E-02 6093 0.247E-01 0.180E-01 RMM: 4 -0.332860979026E+03 0.40188E-03 -0.77967E-04 4704 0.672E-02 0.138E-01 RMM: 5 -0.332860838009E+03 0.14102E-03 -0.13467E-04 3856 0.311E-02 0.723E-02 RMM: 6 -0.332860812716E+03 0.25294E-04 -0.33527E-05 2866 0.172E-02 0.494E-02 RMM: 7 -0.332860806574E+03 0.61419E-05 -0.39282E-05 2677 0.184E-02 7073 T= 7275. E= 0.67569181E+03 F= 0.62340818E+03 E0= 0.65218752E+03 EK= 0.59243E+02 SP= -.72E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332737250362E+03 0.12356E+00 -0.14810E-01 7920 0.252E+01 0.191E-01 RMM: 2 -0.332756156010E+03 -0.18906E-01 -0.16718E-01 5026 0.927E-01 0.737E-01 RMM: 3 -0.332751679099E+03 0.44769E-02 -0.16948E-02 6166 0.244E-01 0.153E-01 RMM: 4 -0.332751359027E+03 0.32007E-03 -0.72682E-04 4746 0.642E-02 0.138E-01 RMM: 5 -0.332751219076E+03 0.13995E-03 -0.11590E-04 3716 0.292E-02 0.672E-02 RMM: 6 -0.332751200989E+03 0.18087E-04 -0.28129E-05 2588 0.159E-02 7074 T= 7213. E= 0.67569328E+03 F= 0.62351779E+03 E0= 0.65232611E+03 EK= 0.58742E+02 SP= -.68E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332400824729E+03 0.35039E+00 -0.15566E-01 7856 0.250E+01 0.255E-01 RMM: 2 -0.332428584939E+03 -0.27760E-01 -0.16879E-01 5008 0.941E-01 0.135E+00 RMM: 3 -0.332415197892E+03 0.13387E-01 -0.18159E-02 5602 0.283E-01 0.239E-01 RMM: 4 -0.332414709840E+03 0.48805E-03 -0.12410E-03 4932 0.752E-02 0.102E-01 RMM: 5 -0.332414647136E+03 0.62704E-04 -0.15722E-04 4124 0.310E-02 0.841E-02 RMM: 6 -0.332414610557E+03 0.36579E-04 -0.33771E-05 2807 0.172E-02 0.580E-02 RMM: 7 -0.332414619972E+03 -0.94156E-05 -0.40289E-05 2942 0.188E-02 7075 T= 7121. E= 0.67569640E+03 F= 0.62385437E+03 E0= 0.65268209E+03 EK= 0.57989E+02 SP= -.65E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331882113828E+03 0.53250E+00 -0.15459E-01 7736 0.248E+01 0.287E-01 RMM: 2 -0.331911768905E+03 -0.29655E-01 -0.16339E-01 4863 0.961E-01 0.150E+00 RMM: 3 -0.331895818336E+03 0.15951E-01 -0.19180E-02 5499 0.305E-01 0.287E-01 RMM: 4 -0.331895234728E+03 0.58361E-03 -0.16621E-03 5141 0.893E-02 0.125E-01 RMM: 5 -0.331895232970E+03 0.17584E-05 -0.22810E-04 3917 0.357E-02 0.131E-01 RMM: 6 -0.331895115024E+03 0.11795E-03 -0.64809E-05 3379 0.233E-02 0.376E-02 RMM: 7 -0.331895114935E+03 0.89409E-07 -0.19140E-05 2532 0.132E-02 7076 T= 7004. E= 0.67570009E+03 F= 0.62437387E+03 E0= 0.65321041E+03 EK= 0.57035E+02 SP= -.61E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331228374873E+03 0.66674E+00 -0.15574E-01 7936 0.246E+01 0.257E-01 RMM: 2 -0.331254681153E+03 -0.26306E-01 -0.16694E-01 4888 0.963E-01 0.130E+00 RMM: 3 -0.331242575254E+03 0.12106E-01 -0.18876E-02 5581 0.293E-01 0.238E-01 RMM: 4 -0.331242118857E+03 0.45640E-03 -0.13036E-03 4991 0.779E-02 0.110E-01 RMM: 5 -0.331242061010E+03 0.57847E-04 -0.17461E-04 3994 0.325E-02 0.964E-02 RMM: 6 -0.331242001593E+03 0.59417E-04 -0.43169E-05 3030 0.196E-02 0.475E-02 RMM: 7 -0.331242003893E+03 -0.22991E-05 -0.22667E-05 2541 0.146E-02 7077 T= 6869. E= 0.67570354E+03 F= 0.62502699E+03 E0= 0.65386282E+03 EK= 0.55933E+02 SP= -.56E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330487030140E+03 0.75497E+00 -0.15205E-01 7960 0.245E+01 0.242E-01 RMM: 2 -0.330509793356E+03 -0.22763E-01 -0.16471E-01 4752 0.989E-01 0.110E+00 RMM: 3 -0.330501508272E+03 0.82851E-02 -0.20314E-02 5705 0.295E-01 0.232E-01 RMM: 4 -0.330500996844E+03 0.51143E-03 -0.11720E-03 5024 0.754E-02 0.105E-01 RMM: 5 -0.330500956761E+03 0.40083E-04 -0.16303E-04 3991 0.350E-02 0.888E-02 RMM: 6 -0.330500907364E+03 0.49397E-04 -0.41396E-05 3020 0.192E-02 0.420E-02 RMM: 7 -0.330500911013E+03 -0.36486E-05 -0.22632E-05 2539 0.151E-02 7078 T= 6722. E= 0.67570692E+03 F= 0.62576808E+03 E0= 0.65459566E+03 EK= 0.54739E+02 SP= -.52E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329700566775E+03 0.80034E+00 -0.15223E-01 7896 0.243E+01 0.196E-01 RMM: 2 -0.329720283516E+03 -0.19717E-01 -0.16335E-01 4745 0.971E-01 0.850E-01 RMM: 3 -0.329715061332E+03 0.52222E-02 -0.19468E-02 5892 0.274E-01 0.159E-01 RMM: 4 -0.329714754979E+03 0.30635E-03 -0.89392E-04 4858 0.695E-02 0.136E-01 RMM: 5 -0.329714640724E+03 0.11426E-03 -0.13431E-04 3874 0.321E-02 0.826E-02 RMM: 6 -0.329714600938E+03 0.39786E-04 -0.39728E-05 2964 0.192E-02 0.425E-02 RMM: 7 -0.329714600877E+03 0.61240E-07 -0.33147E-05 2619 0.174E-02 7079 T= 6570. E= 0.67570987E+03 F= 0.62655439E+03 E0= 0.65536751E+03 EK= 0.53500E+02 SP= -.47E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328910154670E+03 0.80445E+00 -0.14844E-01 8000 0.242E+01 0.201E-01 RMM: 2 -0.328928649613E+03 -0.18495E-01 -0.15362E-01 4712 0.955E-01 0.835E-01 RMM: 3 -0.328923708008E+03 0.49416E-02 -0.18892E-02 5914 0.269E-01 0.166E-01 RMM: 4 -0.328923344105E+03 0.36390E-03 -0.83682E-04 4988 0.668E-02 0.117E-01 RMM: 5 -0.328923264477E+03 0.79628E-04 -0.12350E-04 3830 0.319E-02 0.788E-02 RMM: 6 -0.328923230243E+03 0.34234E-04 -0.37000E-05 2915 0.185E-02 0.466E-02 RMM: 7 -0.328923233723E+03 -0.34799E-05 -0.36452E-05 2681 0.182E-02 7080 T= 6418. E= 0.67571292E+03 F= 0.62734576E+03 E0= 0.65614012E+03 EK= 0.52263E+02 SP= -.43E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328157763243E+03 0.76547E+00 -0.14132E-01 7728 0.240E+01 0.173E-01 RMM: 2 -0.328173553421E+03 -0.15790E-01 -0.13863E-01 4759 0.894E-01 0.699E-01 RMM: 3 -0.328169978134E+03 0.35753E-02 -0.16314E-02 5977 0.245E-01 0.156E-01 RMM: 4 -0.328169694304E+03 0.28383E-03 -0.70867E-04 4767 0.652E-02 0.124E-01 RMM: 5 -0.328169587501E+03 0.10680E-03 -0.10564E-04 3633 0.289E-02 0.677E-02 RMM: 6 -0.328169564973E+03 0.22528E-04 -0.29895E-05 2653 0.168E-02 0.416E-02 RMM: 7 -0.328169565937E+03 -0.96438E-06 -0.28738E-05 2571 0.164E-02 7081 T= 6272. E= 0.67571647E+03 F= 0.62809942E+03 E0= 0.65687340E+03 EK= 0.51078E+02 SP= -.39E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327493562058E+03 0.67600E+00 -0.13014E-01 7888 0.238E+01 0.179E-01 RMM: 2 -0.327506931471E+03 -0.13369E-01 -0.11410E-01 4920 0.808E-01 0.707E-01 RMM: 3 -0.327503256208E+03 0.36753E-02 -0.12589E-02 5908 0.219E-01 0.146E-01 RMM: 4 -0.327503046351E+03 0.20986E-03 -0.59840E-04 4758 0.575E-02 0.122E-01 RMM: 5 -0.327502950535E+03 0.95816E-04 -0.92753E-05 3592 0.272E-02 0.725E-02 RMM: 6 -0.327502923587E+03 0.26948E-04 -0.30393E-05 2717 0.171E-02 0.435E-02 RMM: 7 -0.327502925456E+03 -0.18692E-05 -0.28799E-05 2590 0.159E-02 7082 T= 6140. E= 0.67572058E+03 F= 0.62876606E+03 E0= 0.65752045E+03 EK= 0.49999E+02 SP= -.34E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326969416103E+03 0.53351E+00 -0.12701E-01 7688 0.236E+01 0.190E-01 RMM: 2 -0.326984086416E+03 -0.14670E-01 -0.11912E-01 4955 0.822E-01 0.803E-01 RMM: 3 -0.326979483113E+03 0.46033E-02 -0.12933E-02 5850 0.218E-01 0.167E-01 RMM: 4 -0.326979197991E+03 0.28512E-03 -0.68361E-04 4779 0.601E-02 0.105E-01 RMM: 5 -0.326979129125E+03 0.68865E-04 -0.93987E-05 3694 0.252E-02 0.719E-02 RMM: 6 -0.326979101453E+03 0.27672E-04 -0.26795E-05 2623 0.161E-02 0.380E-02 RMM: 7 -0.326979104713E+03 -0.32599E-05 -0.20212E-05 2520 0.137E-02 7083 T= 6027. E= 0.67572464E+03 F= 0.62928988E+03 E0= 0.65802704E+03 EK= 0.49083E+02 SP= -.30E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326646287298E+03 0.33281E+00 -0.11759E-01 7672 0.235E+01 0.180E-01 RMM: 2 -0.326657817506E+03 -0.11530E-01 -0.93767E-02 5086 0.728E-01 0.724E-01 RMM: 3 -0.326654005721E+03 0.38118E-02 -0.96763E-03 5781 0.191E-01 0.130E-01 RMM: 4 -0.326653871413E+03 0.13431E-03 -0.54067E-04 4649 0.523E-02 0.121E-01 RMM: 5 -0.326653779439E+03 0.91974E-04 -0.82535E-05 3550 0.247E-02 0.682E-02 RMM: 6 -0.326653754387E+03 0.25052E-04 -0.25343E-05 2587 0.155E-02 0.386E-02 RMM: 7 -0.326653755062E+03 -0.67542E-06 -0.23422E-05 2535 0.146E-02 7084 T= 5942. E= 0.67572785E+03 F= 0.62961523E+03 E0= 0.65833930E+03 EK= 0.48388E+02 SP= -.26E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326565583358E+03 0.88171E-01 -0.11192E-01 7584 0.233E+01 0.198E-01 RMM: 2 -0.326578598104E+03 -0.13015E-01 -0.94103E-02 5059 0.738E-01 0.884E-01 RMM: 3 -0.326573339223E+03 0.52589E-02 -0.10077E-02 5637 0.201E-01 0.185E-01 RMM: 4 -0.326573069938E+03 0.26929E-03 -0.67469E-04 4735 0.573E-02 0.888E-02 RMM: 5 -0.326573030583E+03 0.39355E-04 -0.93671E-05 3698 0.245E-02 0.769E-02 RMM: 6 -0.326572995505E+03 0.35078E-04 -0.26485E-05 2684 0.160E-02 0.349E-02 RMM: 7 -0.326572996677E+03 -0.11719E-05 -0.15499E-05 2495 0.122E-02 7085 T= 5890. E= 0.67572999E+03 F= 0.62969599E+03 E0= 0.65841202E+03 EK= 0.47961E+02 SP= -.22E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326758684031E+03 -0.18569E+00 -0.10928E-01 7576 0.232E+01 0.192E-01 RMM: 2 -0.326771065033E+03 -0.12381E-01 -0.91849E-02 5080 0.728E-01 0.834E-01 RMM: 3 -0.326766228473E+03 0.48366E-02 -0.98304E-03 5624 0.197E-01 0.148E-01 RMM: 4 -0.326766046418E+03 0.18205E-03 -0.62536E-04 4692 0.539E-02 0.993E-02 RMM: 5 -0.326765996702E+03 0.49715E-04 -0.86111E-05 3630 0.244E-02 0.762E-02 RMM: 6 -0.326765961820E+03 0.34882E-04 -0.25960E-05 2627 0.157E-02 0.353E-02 RMM: 7 -0.326765961421E+03 0.39892E-06 -0.17006E-05 2495 0.128E-02 7086 T= 5873. E= 0.67573023E+03 F= 0.62950303E+03 E0= 0.65821581E+03 EK= 0.47828E+02 SP= -.18E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327228444246E+03 -0.46248E+00 -0.10805E-01 7624 0.232E+01 0.195E-01 RMM: 2 -0.327241300293E+03 -0.12856E-01 -0.90104E-02 5009 0.729E-01 0.904E-01 RMM: 3 -0.327235822481E+03 0.54778E-02 -0.96455E-03 5571 0.203E-01 0.187E-01 RMM: 4 -0.327235549845E+03 0.27264E-03 -0.69003E-04 4776 0.569E-02 0.816E-02 RMM: 5 -0.327235523056E+03 0.26789E-04 -0.96972E-05 3696 0.256E-02 0.768E-02 RMM: 6 -0.327235487685E+03 0.35370E-04 -0.25340E-05 2638 0.155E-02 0.354E-02 RMM: 7 -0.327235486905E+03 0.78076E-06 -0.12722E-05 2487 0.113E-02 7087 T= 5893. E= 0.67572818E+03 F= 0.62903350E+03 E0= 0.65774661E+03 EK= 0.47992E+02 SP= -.15E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327945431874E+03 -0.70994E+00 -0.10725E-01 7512 0.232E+01 0.199E-01 RMM: 2 -0.327958481823E+03 -0.13050E-01 -0.92483E-02 5014 0.728E-01 0.895E-01 RMM: 3 -0.327952993393E+03 0.54884E-02 -0.10086E-02 5601 0.207E-01 0.163E-01 RMM: 4 -0.327952777026E+03 0.21637E-03 -0.70000E-04 4813 0.550E-02 0.886E-02 RMM: 5 -0.327952745308E+03 0.31718E-04 -0.92297E-05 3685 0.254E-02 0.809E-02 RMM: 6 -0.327952705221E+03 0.40087E-04 -0.26236E-05 2641 0.158E-02 0.376E-02 RMM: 7 -0.327952702268E+03 0.29528E-05 -0.16913E-05 2498 0.129E-02 7088 T= 5946. E= 0.67572424E+03 F= 0.62831629E+03 E0= 0.65703105E+03 EK= 0.48420E+02 SP= -.12E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328851927887E+03 -0.89922E+00 -0.10567E-01 7744 0.233E+01 0.177E-01 RMM: 2 -0.328864250828E+03 -0.12323E-01 -0.90896E-02 5007 0.718E-01 0.833E-01 RMM: 3 -0.328859536872E+03 0.47140E-02 -0.95243E-03 5745 0.194E-01 0.176E-01 RMM: 4 -0.328859249666E+03 0.28721E-03 -0.61392E-04 4697 0.558E-02 0.858E-02 RMM: 5 -0.328859211703E+03 0.37962E-04 -0.91298E-05 3636 0.253E-02 0.700E-02 RMM: 6 -0.328859185107E+03 0.26596E-04 -0.22137E-05 2565 0.145E-02 0.387E-02 RMM: 7 -0.328859183409E+03 0.16974E-05 -0.13643E-05 2489 0.115E-02 7089 T= 6024. E= 0.67571864E+03 F= 0.62740981E+03 E0= 0.65612513E+03 EK= 0.49052E+02 SP= -.90E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329867206703E+03 -0.10080E+01 -0.11049E-01 7912 0.235E+01 0.185E-01 RMM: 2 -0.329879276409E+03 -0.12070E-01 -0.91584E-02 5105 0.713E-01 0.816E-01 RMM: 3 -0.329874697845E+03 0.45786E-02 -0.94589E-03 5755 0.195E-01 0.154E-01 RMM: 4 -0.329874494338E+03 0.20351E-03 -0.62227E-04 4731 0.528E-02 0.963E-02 RMM: 5 -0.329874441957E+03 0.52381E-04 -0.85212E-05 3614 0.246E-02 0.742E-02 RMM: 6 -0.329874412049E+03 0.29908E-04 -0.23788E-05 2569 0.151E-02 0.418E-02 RMM: 7 -0.329874407787E+03 0.42618E-05 -0.17532E-05 2500 0.128E-02 7090 T= 6116. E= 0.67571215E+03 F= 0.62639458E+03 E0= 0.65510694E+03 EK= 0.49806E+02 SP= -.63E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330898596408E+03 -0.10242E+01 -0.11349E-01 7992 0.237E+01 0.164E-01 RMM: 2 -0.330910198295E+03 -0.11602E-01 -0.95552E-02 5087 0.719E-01 0.703E-01 RMM: 3 -0.330906663316E+03 0.35350E-02 -0.97768E-03 5929 0.188E-01 0.152E-01 RMM: 4 -0.330906420050E+03 0.24327E-03 -0.53921E-04 4560 0.529E-02 0.102E-01 RMM: 5 -0.330906351769E+03 0.68281E-04 -0.86338E-05 3577 0.255E-02 0.650E-02 RMM: 6 -0.330906331872E+03 0.19897E-04 -0.21142E-05 2545 0.140E-02 7091 T= 6212. E= 0.67570549E+03 F= 0.62536266E+03 E0= 0.65406696E+03 EK= 0.50586E+02 SP= -.37E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331852877527E+03 -0.94653E+00 -0.11515E-01 7944 0.239E+01 0.208E-01 RMM: 2 -0.331869308992E+03 -0.16431E-01 -0.95522E-02 5149 0.718E-01 0.111E+00 RMM: 3 -0.331860716919E+03 0.85921E-02 -0.98664E-03 5580 0.211E-01 0.204E-01 RMM: 4 -0.331860385520E+03 0.33140E-03 -0.79406E-04 4780 0.590E-02 0.832E-02 RMM: 5 -0.331860341347E+03 0.44173E-04 -0.94998E-05 3776 0.250E-02 0.718E-02 RMM: 6 -0.331860320981E+03 0.20366E-04 -0.21568E-05 2557 0.140E-02 0.586E-02 RMM: 7 -0.331860320017E+03 0.96377E-06 -0.25952E-05 2597 0.154E-02 7092 T= 6299. E= 0.67569939E+03 F= 0.62440867E+03 E0= 0.65309958E+03 EK= 0.51295E+02 SP= -.12E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332644594194E+03 -0.78427E+00 -0.11704E-01 7784 0.241E+01 0.231E-01 RMM: 2 -0.332660297325E+03 -0.15703E-01 -0.94171E-02 5110 0.727E-01 0.109E+00 RMM: 3 -0.332652138037E+03 0.81593E-02 -0.10149E-02 5611 0.215E-01 0.224E-01 RMM: 4 -0.332651812790E+03 0.32525E-03 -0.10015E-03 4672 0.705E-02 0.127E-01 RMM: 5 -0.332651752525E+03 0.60266E-04 -0.16223E-04 3863 0.325E-02 0.952E-02 RMM: 6 -0.332651694247E+03 0.58277E-04 -0.36536E-05 3015 0.188E-02 0.302E-02 RMM: 7 -0.332651694298E+03 -0.50468E-07 -0.13871E-05 2494 0.114E-02 7093 T= 6367. E= 0.67569468E+03 F= 0.62361729E+03 E0= 0.65229074E+03 EK= 0.51848E+02 SP= 0.12E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333206057724E+03 -0.55436E+00 -0.12696E-01 7968 0.242E+01 0.199E-01 RMM: 2 -0.333221991064E+03 -0.15933E-01 -0.11027E-01 5006 0.773E-01 0.974E-01 RMM: 3 -0.333215387219E+03 0.66038E-02 -0.12030E-02 5826 0.219E-01 0.163E-01 RMM: 4 -0.333215122704E+03 0.26451E-03 -0.72165E-04 4809 0.587E-02 0.113E-01 RMM: 5 -0.333215032264E+03 0.90440E-04 -0.10723E-04 3729 0.278E-02 0.701E-02 RMM: 6 -0.333215006079E+03 0.26185E-04 -0.28598E-05 2668 0.163E-02 0.444E-02 RMM: 7 -0.333214999225E+03 0.68541E-05 -0.25451E-05 2580 0.145E-02 7094 T= 6407. E= 0.67569223E+03 F= 0.62305399E+03 E0= 0.65170672E+03 EK= 0.52178E+02 SP= 0.35E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333503736596E+03 -0.28873E+00 -0.12576E-01 7952 0.243E+01 0.162E-01 RMM: 2 -0.333517220786E+03 -0.13484E-01 -0.10619E-01 5011 0.748E-01 0.767E-01 RMM: 3 -0.333512807913E+03 0.44129E-02 -0.10988E-02 5986 0.200E-01 0.146E-01 RMM: 4 -0.333512546063E+03 0.26185E-03 -0.53237E-04 4667 0.526E-02 0.933E-02 RMM: 5 -0.333512489653E+03 0.56410E-04 -0.76217E-05 3498 0.252E-02 0.550E-02 RMM: 6 -0.333512476434E+03 0.13219E-04 -0.21290E-05 2546 0.140E-02 7095 T= 6416. E= 0.67569122E+03 F= 0.62275651E+03 E0= 0.65138878E+03 EK= 0.52247E+02 SP= 0.58E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333523537722E+03 -0.11048E-01 -0.13498E-01 7872 0.242E+01 0.193E-01 RMM: 2 -0.333542372834E+03 -0.18835E-01 -0.13277E-01 4877 0.835E-01 0.100E+00 RMM: 3 -0.333535055254E+03 0.73176E-02 -0.14554E-02 5748 0.239E-01 0.186E-01 RMM: 4 -0.333534696067E+03 0.35919E-03 -0.84497E-04 4848 0.629E-02 0.879E-02 RMM: 5 -0.333534648828E+03 0.47238E-04 -0.10829E-04 3875 0.271E-02 0.703E-02 RMM: 6 -0.333534623578E+03 0.25251E-04 -0.24289E-05 2562 0.150E-02 0.450E-02 RMM: 7 -0.333534623405E+03 0.17290E-06 -0.19041E-05 2502 0.136E-02 7096 T= 6391. E= 0.67569248E+03 F= 0.62273437E+03 E0= 0.65134803E+03 EK= 0.52045E+02 SP= 0.81E+00 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333295869864E+03 0.23875E+00 -0.13515E-01 8032 0.242E+01 0.208E-01 RMM: 2 -0.333313370154E+03 -0.17500E-01 -0.11282E-01 4997 0.773E-01 0.106E+00 RMM: 3 -0.333305355496E+03 0.80147E-02 -0.12133E-02 5660 0.226E-01 0.204E-01 RMM: 4 -0.333305014542E+03 0.34095E-03 -0.91223E-04 4716 0.673E-02 0.105E-01 RMM: 5 -0.333304984072E+03 0.30470E-04 -0.13830E-04 3801 0.309E-02 0.880E-02 RMM: 6 -0.333304933953E+03 0.50119E-04 -0.34515E-05 2962 0.180E-02 0.307E-02 RMM: 7 -0.333304935716E+03 -0.17638E-05 -0.14132E-05 2495 0.119E-02 7097 T= 6336. E= 0.67569616E+03 F= 0.62296405E+03 E0= 0.65156212E+03 EK= 0.51600E+02 SP= 0.10E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332864456913E+03 0.44048E+00 -0.14013E-01 7976 0.240E+01 0.212E-01 RMM: 2 -0.332886212330E+03 -0.21755E-01 -0.14343E-01 4904 0.866E-01 0.114E+00 RMM: 3 -0.332876777529E+03 0.94348E-02 -0.15441E-02 5717 0.246E-01 0.188E-01 RMM: 4 -0.332876396803E+03 0.38073E-03 -0.92643E-04 4872 0.659E-02 0.935E-02 RMM: 5 -0.332876354642E+03 0.42161E-04 -0.12634E-04 3866 0.296E-02 0.750E-02 RMM: 6 -0.332876321611E+03 0.33031E-04 -0.29345E-05 2717 0.163E-02 0.386E-02 RMM: 7 -0.332876322505E+03 -0.89327E-06 -0.17179E-05 2500 0.129E-02 7098 T= 6259. E= 0.67570184E+03 F= 0.62339267E+03 E0= 0.65197915E+03 EK= 0.50966E+02 SP= 0.13E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332317980747E+03 0.55834E+00 -0.11910E-01 7968 0.238E+01 0.160E-01 RMM: 2 -0.332330430581E+03 -0.12450E-01 -0.98902E-02 5131 0.707E-01 0.724E-01 RMM: 3 -0.332326136687E+03 0.42939E-02 -0.92594E-03 5666 0.198E-01 0.148E-01 RMM: 4 -0.332325974117E+03 0.16257E-03 -0.56476E-04 4746 0.506E-02 0.882E-02 RMM: 5 -0.332325929161E+03 0.44957E-04 -0.73773E-05 3460 0.244E-02 0.659E-02 RMM: 6 -0.332325905340E+03 0.23821E-04 -0.24554E-05 2571 0.154E-02 0.386E-02 RMM: 7 -0.332325904993E+03 0.34625E-06 -0.21866E-05 2503 0.144E-02 7099 T= 6167. E= 0.67570802E+03 F= 0.62394308E+03 E0= 0.65252142E+03 EK= 0.50223E+02 SP= 0.15E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331735375180E+03 0.59053E+00 -0.12205E-01 7864 0.236E+01 0.164E-01 RMM: 2 -0.331748564588E+03 -0.13189E-01 -0.10671E-01 5029 0.743E-01 0.727E-01 RMM: 3 -0.331744440579E+03 0.41240E-02 -0.10919E-02 5961 0.198E-01 0.146E-01 RMM: 4 -0.331744204420E+03 0.23616E-03 -0.56194E-04 4617 0.552E-02 0.102E-01 RMM: 5 -0.331744151154E+03 0.53266E-04 -0.85024E-05 3509 0.258E-02 0.726E-02 RMM: 6 -0.331744121732E+03 0.29423E-04 -0.25774E-05 2611 0.159E-02 0.344E-02 RMM: 7 -0.331744123188E+03 -0.14561E-05 -0.14859E-05 2485 0.120E-02 7100 T= 6074. E= 0.67571421E+03 F= 0.62452487E+03 E0= 0.65309721E+03 EK= 0.49463E+02 SP= 0.17E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331210965618E+03 0.53316E+00 -0.12318E-01 7944 0.234E+01 0.150E-01 RMM: 2 -0.331223137737E+03 -0.12172E-01 -0.10851E-01 5026 0.752E-01 0.593E-01 RMM: 3 -0.331220242310E+03 0.28954E-02 -0.11070E-02 6013 0.195E-01 0.107E-01 RMM: 4 -0.331220068606E+03 0.17370E-03 -0.48157E-04 4635 0.499E-02 0.106E-01 RMM: 5 -0.331219997761E+03 0.70845E-04 -0.66334E-05 3381 0.245E-02 0.565E-02 RMM: 6 -0.331219983540E+03 0.14221E-04 -0.22339E-05 2535 0.145E-02 7101 T= 5990. E= 0.67571960E+03 F= 0.62504901E+03 E0= 0.65361621E+03 EK= 0.48778E+02 SP= 0.18E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330817939092E+03 0.40206E+00 -0.11726E-01 7824 0.233E+01 0.176E-01 RMM: 2 -0.330832742005E+03 -0.14803E-01 -0.99980E-02 5039 0.723E-01 0.929E-01 RMM: 3 -0.330826434544E+03 0.63075E-02 -0.10569E-02 5683 0.202E-01 0.153E-01 RMM: 4 -0.330826183544E+03 0.25100E-03 -0.62030E-04 4794 0.532E-02 0.798E-02 RMM: 5 -0.330826149299E+03 0.34245E-04 -0.72818E-05 3520 0.236E-02 0.609E-02 RMM: 6 -0.330826135626E+03 0.13672E-04 -0.22118E-05 2538 0.142E-02 7102 T= 5924. E= 0.67572339E+03 F= 0.62544285E+03 E0= 0.65400386E+03 EK= 0.48241E+02 SP= 0.20E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330601713289E+03 0.22444E+00 -0.11340E-01 7664 0.232E+01 0.264E-01 RMM: 2 -0.330624309428E+03 -0.22596E-01 -0.87479E-02 5063 0.703E-01 0.151E+00 RMM: 3 -0.330608560383E+03 0.15749E-01 -0.11131E-02 5397 0.245E-01 0.262E-01 RMM: 4 -0.330608051353E+03 0.50903E-03 -0.11723E-03 4683 0.717E-02 0.756E-02 RMM: 5 -0.330608039801E+03 0.11552E-04 -0.13476E-04 4019 0.279E-02 7103 T= 5882. E= 0.67572542E+03 F= 0.62566095E+03 E0= 0.65421403E+03 EK= 0.47900E+02 SP= 0.21E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330567050396E+03 0.41001E-01 -0.11464E-01 7720 0.232E+01 0.197E-01 RMM: 2 -0.330582584427E+03 -0.15534E-01 -0.82652E-02 5195 0.650E-01 0.110E+00 RMM: 3 -0.330573968151E+03 0.86163E-02 -0.86806E-03 5434 0.204E-01 0.238E-01 RMM: 4 -0.330573570118E+03 0.39803E-03 -0.83428E-04 4693 0.609E-02 0.772E-02 RMM: 5 -0.330573543679E+03 0.26439E-04 -0.94649E-05 3851 0.243E-02 0.731E-02 RMM: 6 -0.330573519370E+03 0.24309E-04 -0.19634E-05 2540 0.134E-02 0.523E-02 RMM: 7 -0.330573533311E+03 -0.13942E-04 -0.32460E-05 2801 0.164E-02 7104 T= 5865. E= 0.67572468E+03 F= 0.62569546E+03 E0= 0.65423826E+03 EK= 0.47761E+02 SP= 0.22E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330689236559E+03 -0.11572E+00 -0.10899E-01 7784 0.232E+01 0.233E-01 RMM: 2 -0.330703531427E+03 -0.14295E-01 -0.90005E-02 4975 0.705E-01 0.103E+00 RMM: 3 -0.330696435676E+03 0.70958E-02 -0.10195E-02 5608 0.206E-01 0.185E-01 RMM: 4 -0.330696270967E+03 0.16471E-03 -0.90448E-04 4667 0.667E-02 0.160E-01 RMM: 5 -0.330696178097E+03 0.92870E-04 -0.17585E-04 3871 0.345E-02 0.109E-01 RMM: 6 -0.330696100542E+03 0.77555E-04 -0.58257E-05 3334 0.229E-02 0.252E-02 RMM: 7 -0.330696111796E+03 -0.11254E-04 -0.17254E-05 2530 0.128E-02 7105 T= 5870. E= 0.67572134E+03 F= 0.62557288E+03 E0= 0.65410417E+03 EK= 0.47799E+02 SP= 0.23E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330917776443E+03 -0.22168E+00 -0.11291E-01 8048 0.233E+01 0.193E-01 RMM: 2 -0.330933290373E+03 -0.15514E-01 -0.10442E-01 5087 0.756E-01 0.994E-01 RMM: 3 -0.330926620096E+03 0.66703E-02 -0.11304E-02 5785 0.204E-01 0.161E-01 RMM: 4 -0.330926323297E+03 0.29680E-03 -0.70207E-04 4741 0.589E-02 0.108E-01 RMM: 5 -0.330926240524E+03 0.82773E-04 -0.10096E-04 3739 0.270E-02 0.628E-02 RMM: 6 -0.330926218287E+03 0.22236E-04 -0.23728E-05 2567 0.146E-02 0.459E-02 RMM: 7 -0.330926208393E+03 0.98939E-05 -0.23584E-05 2527 0.142E-02 7106 T= 5890. E= 0.67571719E+03 F= 0.62534278E+03 E0= 0.65386054E+03 EK= 0.47966E+02 SP= 0.24E+01 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331195840431E+03 -0.26962E+00 -0.11736E-01 7960 0.233E+01 0.166E-01 RMM: 2 -0.331210175027E+03 -0.14335E-01 -0.10869E-01 4977 0.759E-01 0.837E-01 RMM: 3 -0.331205287017E+03 0.48880E-02 -0.11736E-02 5883 0.203E-01 0.163E-01 RMM: 4 -0.331204963523E+03 0.32349E-03 -0.62224E-04 4679 0.557E-02 0.806E-02 RMM: 5 -0.331204926677E+03 0.36846E-04 -0.81954E-05 3661 0.243E-02 0.652E-02 RMM: 6 -0.331204906727E+03 0.19950E-04 -0.22797E-05 2558 0.147E-02 7107 T= 5919. E= 0.67571338E+03 F= 0.62506408E+03 E0= 0.65356852E+03 EK= 0.48202E+02 SP= 0.24E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331471632300E+03 -0.26671E+00 -0.11330E-01 7936 0.234E+01 0.227E-01 RMM: 2 -0.331489990292E+03 -0.18358E-01 -0.10757E-01 5101 0.754E-01 0.115E+00 RMM: 3 -0.331480482284E+03 0.95080E-02 -0.11863E-02 5557 0.229E-01 0.215E-01 RMM: 4 -0.331480119179E+03 0.36311E-03 -0.98734E-04 4786 0.653E-02 0.964E-02 RMM: 5 -0.331480054553E+03 0.64625E-04 -0.12234E-04 3945 0.272E-02 0.767E-02 RMM: 6 -0.331480023904E+03 0.30649E-04 -0.25962E-05 2637 0.155E-02 0.538E-02 RMM: 7 -0.331480023162E+03 0.74272E-06 -0.28038E-05 2595 0.159E-02 7108 T= 5950. E= 0.67571069E+03 F= 0.62478897E+03 E0= 0.65328010E+03 EK= 0.48456E+02 SP= 0.25E+01 SK= 0.19E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331709719484E+03 -0.22970E+00 -0.10725E-01 7928 0.235E+01 0.255E-01 RMM: 2 -0.331729716130E+03 -0.19997E-01 -0.96038E-02 5200 0.715E-01 0.133E+00 RMM: 3 -0.331717108814E+03 0.12607E-01 -0.10311E-02 5517 0.222E-01 0.210E-01 RMM: 4 -0.331716839631E+03 0.26918E-03 -0.11500E-03 4663 0.740E-02 0.136E-01 RMM: 5 -0.331716780395E+03 0.59236E-04 -0.17150E-04 3882 0.326E-02 0.107E-01 RMM: 6 -0.331716708416E+03 0.71979E-04 -0.40982E-05 3080 0.198E-02 0.344E-02 RMM: 7 -0.331716711423E+03 -0.30073E-05 -0.16540E-05 2512 0.122E-02 7109 T= 5979. E= 0.67570990E+03 F= 0.62455228E+03 E0= 0.65303135E+03 EK= 0.48693E+02 SP= 0.25E+01 SK= 0.24E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331894438425E+03 -0.17773E+00 -0.10498E-01 7912 0.235E+01 0.221E-01 RMM: 2 -0.331912674399E+03 -0.18236E-01 -0.11098E-01 5136 0.757E-01 0.113E+00 RMM: 3 -0.331903554574E+03 0.91198E-02 -0.11722E-02 5699 0.222E-01 0.204E-01 RMM: 4 -0.331903198763E+03 0.35581E-03 -0.89030E-04 4746 0.637E-02 0.104E-01 RMM: 5 -0.331903133198E+03 0.65565E-04 -0.11952E-04 3779 0.276E-02 0.798E-02 RMM: 6 -0.331903097892E+03 0.35305E-04 -0.28167E-05 2753 0.163E-02 0.480E-02 RMM: 7 -0.331903095435E+03 0.24574E-05 -0.22564E-05 2580 0.135E-02 7110 T= 6005. E= 0.67571034E+03 F= 0.62436589E+03 E0= 0.65283503E+03 EK= 0.48899E+02 SP= 0.24E+01 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332037674120E+03 -0.13458E+00 -0.10301E-01 8080 0.234E+01 0.167E-01 RMM: 2 -0.332051297439E+03 -0.13623E-01 -0.10401E-01 5153 0.719E-01 0.790E-01 RMM: 3 -0.332046493414E+03 0.48040E-02 -0.10518E-02 5876 0.197E-01 0.148E-01 RMM: 4 -0.332046258368E+03 0.23505E-03 -0.60702E-04 4625 0.546E-02 0.994E-02 RMM: 5 -0.332046200263E+03 0.58104E-04 -0.80142E-05 3576 0.236E-02 0.681E-02 RMM: 6 -0.332046178583E+03 0.21681E-04 -0.21098E-05 2554 0.141E-02 0.419E-02 RMM: 7 -0.332046177210E+03 0.13722E-05 -0.19223E-05 2569 0.127E-02 7111 T= 6027. E= 0.67571121E+03 F= 0.62422281E+03 E0= 0.65268534E+03 EK= 0.49080E+02 SP= 0.24E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332151712663E+03 -0.10553E+00 -0.10986E-01 7904 0.234E+01 0.170E-01 RMM: 2 -0.332167397342E+03 -0.15685E-01 -0.13403E-01 4957 0.823E-01 0.709E-01 RMM: 3 -0.332163352381E+03 0.40450E-02 -0.14167E-02 6049 0.215E-01 0.145E-01 RMM: 4 -0.332163031905E+03 0.32048E-03 -0.69418E-04 4691 0.619E-02 0.118E-01 RMM: 5 -0.332162947672E+03 0.84233E-04 -0.10342E-04 3645 0.277E-02 0.686E-02 RMM: 6 -0.332162923764E+03 0.23908E-04 -0.24497E-05 2583 0.151E-02 0.413E-02 RMM: 7 -0.332162920650E+03 0.31142E-05 -0.22039E-05 2593 0.134E-02 7112 T= 6048. E= 0.67571172E+03 F= 0.62410607E+03 E0= 0.65256678E+03 EK= 0.49251E+02 SP= 0.23E+01 SK= 0.89E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332258253250E+03 -0.95329E-01 -0.10337E-01 7968 0.234E+01 0.159E-01 RMM: 2 -0.332271362260E+03 -0.13109E-01 -0.10823E-01 4928 0.752E-01 0.692E-01 RMM: 3 -0.332267605309E+03 0.37570E-02 -0.11523E-02 5985 0.207E-01 0.142E-01 RMM: 4 -0.332267352573E+03 0.25274E-03 -0.54662E-04 4715 0.533E-02 0.941E-02 RMM: 5 -0.332267300021E+03 0.52552E-04 -0.73932E-05 3494 0.245E-02 0.657E-02 RMM: 6 -0.332267281812E+03 0.18209E-04 -0.23408E-05 2554 0.149E-02 7113 T= 6069. E= 0.67571182E+03 F= 0.62400171E+03 E0= 0.65246571E+03 EK= 0.49425E+02 SP= 0.23E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332348734392E+03 -0.81434E-01 -0.10806E-01 7960 0.234E+01 0.174E-01 RMM: 2 -0.332365092050E+03 -0.16358E-01 -0.12145E-01 4800 0.796E-01 0.870E-01 RMM: 3 -0.332359414106E+03 0.56779E-02 -0.13653E-02 5809 0.229E-01 0.172E-01 RMM: 4 -0.332359070703E+03 0.34340E-03 -0.72474E-04 4874 0.582E-02 0.812E-02 RMM: 5 -0.332359033050E+03 0.37653E-04 -0.85205E-05 3703 0.257E-02 0.635E-02 RMM: 6 -0.332359018968E+03 0.14082E-04 -0.21248E-05 2535 0.137E-02 7114 T= 6091. E= 0.67571057E+03 F= 0.62390997E+03 E0= 0.65238209E+03 EK= 0.49602E+02 SP= 0.22E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332408082072E+03 -0.49049E-01 -0.10519E-01 8080 0.235E+01 0.317E-01 RMM: 2 -0.332440875603E+03 -0.32794E-01 -0.10829E-01 4832 0.793E-01 0.187E+00 RMM: 3 -0.332416553237E+03 0.24322E-01 -0.15987E-02 5381 0.303E-01 0.306E-01 RMM: 4 -0.332415853771E+03 0.69947E-03 -0.16827E-03 4884 0.838E-02 0.768E-02 RMM: 5 -0.332415845071E+03 0.87002E-05 -0.18139E-04 4118 0.310E-02 7115 T= 6110. E= 0.67570844E+03 F= 0.62385314E+03 E0= 0.65233714E+03 EK= 0.49757E+02 SP= 0.21E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332387951721E+03 0.27902E-01 -0.10850E-01 8120 0.235E+01 0.201E-01 RMM: 2 -0.332408535693E+03 -0.20584E-01 -0.11713E-01 4925 0.770E-01 0.118E+00 RMM: 3 -0.332398073439E+03 0.10462E-01 -0.12997E-02 5454 0.249E-01 0.216E-01 RMM: 4 -0.332397728370E+03 0.34507E-03 -0.11173E-03 4992 0.667E-02 0.941E-02 RMM: 5 -0.332397683100E+03 0.45270E-04 -0.11546E-04 3827 0.290E-02 0.752E-02 RMM: 6 -0.332397657837E+03 0.25262E-04 -0.26299E-05 2568 0.151E-02 0.571E-02 RMM: 7 -0.332397677758E+03 -0.19921E-04 -0.37718E-05 2930 0.174E-02 7116 T= 6122. E= 0.67570600E+03 F= 0.62387131E+03 E0= 0.65237146E+03 EK= 0.49851E+02 SP= 0.19E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332252371718E+03 0.14529E+00 -0.10661E-01 8136 0.236E+01 0.246E-01 RMM: 2 -0.332269767441E+03 -0.17396E-01 -0.11195E-01 4854 0.763E-01 0.109E+00 RMM: 3 -0.332261427767E+03 0.83397E-02 -0.12400E-02 5705 0.232E-01 0.205E-01 RMM: 4 -0.332261192698E+03 0.23507E-03 -0.10531E-03 4695 0.721E-02 0.161E-01 RMM: 5 -0.332261103522E+03 0.89177E-04 -0.19903E-04 3886 0.363E-02 0.115E-01 RMM: 6 -0.332261017162E+03 0.86359E-04 -0.64502E-05 3395 0.238E-02 0.300E-02 RMM: 7 -0.332261030314E+03 -0.13152E-04 -0.19600E-05 2552 0.137E-02 7117 T= 6121. E= 0.67570451E+03 F= 0.62400796E+03 E0= 0.65252439E+03 EK= 0.49842E+02 SP= 0.18E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331966034965E+03 0.29498E+00 -0.10802E-01 8488 0.236E+01 0.171E-01 RMM: 2 -0.331982218067E+03 -0.16183E-01 -0.13324E-01 5044 0.800E-01 0.764E-01 RMM: 3 -0.331977678992E+03 0.45391E-02 -0.13973E-02 6068 0.214E-01 0.150E-01 RMM: 4 -0.331977325542E+03 0.35345E-03 -0.63226E-04 4733 0.562E-02 0.107E-01 RMM: 5 -0.331977234555E+03 0.90987E-04 -0.95299E-05 3696 0.264E-02 0.599E-02 RMM: 6 -0.331977220175E+03 0.14380E-04 -0.22939E-05 2552 0.137E-02 7118 T= 6103. E= 0.67570495E+03 F= 0.62429177E+03 E0= 0.65282315E+03 EK= 0.49701E+02 SP= 0.17E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331534258019E+03 0.44298E+00 -0.11286E-01 8088 0.235E+01 0.181E-01 RMM: 2 -0.331551659697E+03 -0.17402E-01 -0.13375E-01 5078 0.788E-01 0.860E-01 RMM: 3 -0.331545763084E+03 0.58966E-02 -0.13691E-02 5781 0.221E-01 0.174E-01 RMM: 4 -0.331545397130E+03 0.36595E-03 -0.76567E-04 4965 0.577E-02 0.847E-02 RMM: 5 -0.331545356120E+03 0.41010E-04 -0.85457E-05 3716 0.243E-02 0.711E-02 RMM: 6 -0.331545340310E+03 0.15810E-04 -0.25187E-05 2574 0.150E-02 7119 T= 6070. E= 0.67570765E+03 F= 0.62472365E+03 E0= 0.65326846E+03 EK= 0.49427E+02 SP= 0.15E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330988385959E+03 0.55697E+00 -0.11168E-01 8136 0.234E+01 0.393E-01 RMM: 2 -0.331028678964E+03 -0.40293E-01 -0.13572E-01 4961 0.858E-01 0.207E+00 RMM: 3 -0.330998606600E+03 0.30072E-01 -0.20709E-02 5381 0.341E-01 0.369E-01 RMM: 4 -0.330997620636E+03 0.98596E-03 -0.23627E-03 5052 0.970E-02 0.108E-01 RMM: 5 -0.330997612128E+03 0.85077E-05 -0.26343E-04 3933 0.370E-02 0.124E-01 RMM: 6 -0.330997513975E+03 0.98153E-04 -0.54242E-05 3249 0.215E-02 0.523E-02 RMM: 7 -0.330997510942E+03 0.30332E-05 -0.22908E-05 2556 0.145E-02 7120 T= 6024. E= 0.67571204E+03 F= 0.62527148E+03 E0= 0.65382495E+03 EK= 0.49054E+02 SP= 0.13E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330381031053E+03 0.61648E+00 -0.11035E-01 8048 0.232E+01 0.354E-01 RMM: 2 -0.330416955747E+03 -0.35925E-01 -0.12771E-01 5082 0.802E-01 0.194E+00 RMM: 3 -0.330391009653E+03 0.25946E-01 -0.17715E-02 5395 0.311E-01 0.365E-01 RMM: 4 -0.330390077640E+03 0.93201E-03 -0.21397E-03 4859 0.955E-02 0.126E-01 RMM: 5 -0.330390092032E+03 -0.14391E-04 -0.29513E-04 3908 0.416E-02 0.139E-01 RMM: 6 -0.330389962243E+03 0.12979E-03 -0.81124E-05 3545 0.257E-02 0.453E-02 RMM: 7 -0.330389959070E+03 0.31725E-05 -0.20741E-05 2561 0.137E-02 7121 T= 5973. E= 0.67571773E+03 F= 0.62587903E+03 E0= 0.65443671E+03 EK= 0.48638E+02 SP= 0.11E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329782673305E+03 0.60729E+00 -0.11026E-01 8368 0.230E+01 0.257E-01 RMM: 2 -0.329806811474E+03 -0.24138E-01 -0.12046E-01 5050 0.778E-01 0.141E+00 RMM: 3 -0.329792629552E+03 0.14182E-01 -0.14012E-02 5529 0.254E-01 0.249E-01 RMM: 4 -0.329792148934E+03 0.48062E-03 -0.12196E-03 4773 0.723E-02 0.931E-02 RMM: 5 -0.329792122453E+03 0.26481E-04 -0.15988E-04 3934 0.309E-02 0.933E-02 RMM: 6 -0.329792067889E+03 0.54564E-04 -0.36411E-05 2934 0.181E-02 0.419E-02 RMM: 7 -0.329792069242E+03 -0.13531E-05 -0.18482E-05 2530 0.134E-02 7122 T= 5925. E= 0.67572288E+03 F= 0.62647692E+03 E0= 0.65503371E+03 EK= 0.48247E+02 SP= 0.89E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329258404738E+03 0.53366E+00 -0.11802E-01 8344 0.229E+01 0.220E-01 RMM: 2 -0.329277425958E+03 -0.19021E-01 -0.12599E-01 4999 0.803E-01 0.107E+00 RMM: 3 -0.329269148328E+03 0.82776E-02 -0.14043E-02 5757 0.235E-01 0.202E-01 RMM: 4 -0.329268730147E+03 0.41818E-03 -0.92336E-04 4851 0.640E-02 0.899E-02 RMM: 5 -0.329268696631E+03 0.33516E-04 -0.12359E-04 3836 0.284E-02 0.752E-02 RMM: 6 -0.329268662204E+03 0.34427E-04 -0.27568E-05 2695 0.156E-02 0.384E-02 RMM: 7 -0.329268663617E+03 -0.14130E-05 -0.16481E-05 2505 0.128E-02 7123 T= 5888. E= 0.67572642E+03 F= 0.62700033E+03 E0= 0.65555218E+03 EK= 0.47949E+02 SP= 0.65E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328858216624E+03 0.41045E+00 -0.11599E-01 8560 0.228E+01 0.185E-01 RMM: 2 -0.328873127478E+03 -0.14911E-01 -0.11255E-01 5079 0.734E-01 0.845E-01 RMM: 3 -0.328867624607E+03 0.55029E-02 -0.10992E-02 5837 0.207E-01 0.169E-01 RMM: 4 -0.328867333744E+03 0.29086E-03 -0.68527E-04 4752 0.563E-02 0.952E-02 RMM: 5 -0.328867289788E+03 0.43956E-04 -0.97924E-05 3690 0.261E-02 0.777E-02 RMM: 6 -0.328867253364E+03 0.36424E-04 -0.27662E-05 2690 0.161E-02 0.383E-02 RMM: 7 -0.328867254248E+03 -0.88410E-06 -0.17577E-05 2518 0.125E-02 7124 T= 5869. E= 0.67572787E+03 F= 0.62740174E+03 E0= 0.65594611E+03 EK= 0.47790E+02 SP= 0.38E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328601788473E+03 0.26546E+00 -0.11448E-01 8600 0.227E+01 0.186E-01 RMM: 2 -0.328617721298E+03 -0.15933E-01 -0.11436E-01 5103 0.737E-01 0.914E-01 RMM: 3 -0.328611355000E+03 0.63663E-02 -0.11158E-02 5776 0.208E-01 0.162E-01 RMM: 4 -0.328611085462E+03 0.26954E-03 -0.69344E-04 4873 0.551E-02 0.894E-02 RMM: 5 -0.328611043282E+03 0.42180E-04 -0.90015E-05 3626 0.251E-02 0.702E-02 RMM: 6 -0.328611015172E+03 0.28109E-04 -0.25303E-05 2617 0.154E-02 0.382E-02 RMM: 7 -0.328611018116E+03 -0.29434E-05 -0.20526E-05 2536 0.137E-02 7125 T= 5869. E= 0.67572770E+03 F= 0.62765797E+03 E0= 0.65619384E+03 EK= 0.47796E+02 SP= 0.89E-01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328493412856E+03 0.11760E+00 -0.11767E-01 8472 0.228E+01 0.165E-01 RMM: 2 -0.328507620211E+03 -0.14207E-01 -0.12136E-01 5015 0.763E-01 0.679E-01 RMM: 3 -0.328503704736E+03 0.39155E-02 -0.12251E-02 5988 0.209E-01 0.135E-01 RMM: 4 -0.328503448681E+03 0.25606E-03 -0.58470E-04 4807 0.527E-02 0.970E-02 RMM: 5 -0.328503388889E+03 0.59792E-04 -0.78166E-05 3530 0.246E-02 0.691E-02 RMM: 6 -0.328503364777E+03 0.24112E-04 -0.24635E-05 2568 0.152E-02 0.421E-02 RMM: 7 -0.328503361507E+03 0.32698E-05 -0.23156E-05 2554 0.144E-02 7126 T= 5891. E= 0.67572692E+03 F= 0.62776563E+03 E0= 0.65629431E+03 EK= 0.47973E+02 SP= -.23E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328530266252E+03 -0.26901E-01 -0.11360E-01 8304 0.229E+01 0.172E-01 RMM: 2 -0.328545275772E+03 -0.15010E-01 -0.11767E-01 4991 0.759E-01 0.797E-01 RMM: 3 -0.328540249886E+03 0.50259E-02 -0.12103E-02 6013 0.209E-01 0.154E-01 RMM: 4 -0.328539943058E+03 0.30683E-03 -0.59119E-04 4708 0.545E-02 0.910E-02 RMM: 5 -0.328539887146E+03 0.55912E-04 -0.80018E-05 3569 0.242E-02 0.676E-02 RMM: 6 -0.328539865756E+03 0.21390E-04 -0.23284E-05 2564 0.149E-02 0.458E-02 RMM: 7 -0.328539865698E+03 0.58373E-07 -0.24804E-05 2606 0.146E-02 7127 T= 5933. E= 0.67572610E+03 F= 0.62772912E+03 E0= 0.65625413E+03 EK= 0.48316E+02 SP= -.56E+00 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328706225142E+03 -0.16636E+00 -0.11071E-01 8040 0.230E+01 0.193E-01 RMM: 2 -0.328721783782E+03 -0.15559E-01 -0.12115E-01 4967 0.787E-01 0.832E-01 RMM: 3 -0.328716489148E+03 0.52946E-02 -0.13171E-02 5956 0.222E-01 0.160E-01 RMM: 4 -0.328716179298E+03 0.30985E-03 -0.69746E-04 4917 0.575E-02 0.102E-01 RMM: 5 -0.328716105009E+03 0.74289E-04 -0.92202E-05 3652 0.257E-02 0.631E-02 RMM: 6 -0.328716087910E+03 0.17099E-04 -0.24122E-05 2575 0.148E-02 7128 T= 5995. E= 0.67572589E+03 F= 0.62755290E+03 E0= 0.65607910E+03 EK= 0.48823E+02 SP= -.92E+00 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329018471774E+03 -0.30237E+00 -0.11363E-01 7720 0.231E+01 0.211E-01 RMM: 2 -0.329039427751E+03 -0.20956E-01 -0.14455E-01 4835 0.868E-01 0.107E+00 RMM: 3 -0.329031161540E+03 0.82662E-02 -0.16581E-02 5779 0.251E-01 0.220E-01 RMM: 4 -0.329030646319E+03 0.51522E-03 -0.96870E-04 4941 0.659E-02 0.909E-02 RMM: 5 -0.329030592567E+03 0.53752E-04 -0.11249E-04 4008 0.269E-02 0.771E-02 RMM: 6 -0.329030571520E+03 0.21047E-04 -0.24107E-05 2576 0.145E-02 0.675E-02 RMM: 7 -0.329030582910E+03 -0.11390E-04 -0.72275E-05 3567 0.224E-02 7129 T= 6077. E= 0.67572492E+03 F= 0.62723841E+03 E0= 0.65577191E+03 EK= 0.49489E+02 SP= -.13E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329474730389E+03 -0.44416E+00 -0.10153E-01 7560 0.233E+01 0.286E-01 RMM: 2 -0.329496975299E+03 -0.22245E-01 -0.10526E-01 4926 0.777E-01 0.143E+00 RMM: 3 -0.329483157108E+03 0.13818E-01 -0.13186E-02 5444 0.258E-01 0.296E-01 RMM: 4 -0.329482564117E+03 0.59299E-03 -0.14948E-03 4795 0.837E-02 0.118E-01 RMM: 5 -0.329482544174E+03 0.19943E-04 -0.22807E-04 3887 0.374E-02 0.117E-01 RMM: 6 -0.329482454664E+03 0.89510E-04 -0.62117E-05 3347 0.231E-02 0.325E-02 RMM: 7 -0.329482455899E+03 -0.12343E-05 -0.17169E-05 2522 0.127E-02 7130 T= 6178. E= 0.67572367E+03 F= 0.62678653E+03 E0= 0.65533304E+03 EK= 0.50312E+02 SP= -.17E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330051576964E+03 -0.56912E+00 -0.10797E-01 7504 0.234E+01 0.225E-01 RMM: 2 -0.330073253887E+03 -0.21677E-01 -0.13265E-01 4870 0.854E-01 0.121E+00 RMM: 3 -0.330062891319E+03 0.10363E-01 -0.14764E-02 5564 0.251E-01 0.201E-01 RMM: 4 -0.330062529333E+03 0.36199E-03 -0.10625E-03 4935 0.677E-02 0.934E-02 RMM: 5 -0.330062470447E+03 0.58886E-04 -0.13776E-04 4045 0.290E-02 0.762E-02 RMM: 6 -0.330062438330E+03 0.32117E-04 -0.28378E-05 2673 0.158E-02 0.526E-02 RMM: 7 -0.330062434616E+03 0.37138E-05 -0.24057E-05 2593 0.147E-02 7131 T= 6297. E= 0.67572178E+03 F= 0.62620655E+03 E0= 0.65477064E+03 EK= 0.51282E+02 SP= -.21E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330733648363E+03 -0.67121E+00 -0.10270E-01 7648 0.237E+01 0.230E-01 RMM: 2 -0.330749396281E+03 -0.15748E-01 -0.10056E-01 4918 0.776E-01 0.104E+00 RMM: 3 -0.330741942033E+03 0.74542E-02 -0.12075E-02 5459 0.237E-01 0.210E-01 RMM: 4 -0.330741622757E+03 0.31928E-03 -0.99188E-04 4915 0.638E-02 0.908E-02 RMM: 5 -0.330741588660E+03 0.34097E-04 -0.13975E-04 3904 0.315E-02 0.825E-02 RMM: 6 -0.330741543591E+03 0.45069E-04 -0.34172E-05 2908 0.175E-02 0.370E-02 RMM: 7 -0.330741541455E+03 0.21358E-05 -0.15870E-05 2499 0.128E-02 7132 T= 6430. E= 0.67571811E+03 F= 0.62552745E+03 E0= 0.65411287E+03 EK= 0.52364E+02 SP= -.25E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331458581199E+03 -0.71704E+00 -0.10966E-01 7560 0.239E+01 0.211E-01 RMM: 2 -0.331475293902E+03 -0.16713E-01 -0.11022E-01 4940 0.810E-01 0.103E+00 RMM: 3 -0.331467980810E+03 0.73131E-02 -0.12515E-02 5599 0.225E-01 0.197E-01 RMM: 4 -0.331467640906E+03 0.33990E-03 -0.91144E-04 4733 0.680E-02 0.111E-01 RMM: 5 -0.331467573736E+03 0.67170E-04 -0.14581E-04 3895 0.307E-02 0.835E-02 RMM: 6 -0.331467527818E+03 0.45918E-04 -0.35443E-05 2897 0.183E-02 0.389E-02 RMM: 7 -0.331467524155E+03 0.36632E-05 -0.17446E-05 2505 0.126E-02 7133 T= 6570. E= 0.67571379E+03 F= 0.62480147E+03 E0= 0.65340871E+03 EK= 0.53504E+02 SP= -.29E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332168919021E+03 -0.70139E+00 -0.10687E-01 7680 0.242E+01 0.220E-01 RMM: 2 -0.332183194603E+03 -0.14276E-01 -0.96241E-02 5044 0.762E-01 0.982E-01 RMM: 3 -0.332176694328E+03 0.65003E-02 -0.10778E-02 5491 0.223E-01 0.177E-01 RMM: 4 -0.332176485170E+03 0.20916E-03 -0.82937E-04 4759 0.596E-02 0.104E-01 RMM: 5 -0.332176414109E+03 0.71061E-04 -0.11950E-04 3852 0.292E-02 0.783E-02 RMM: 6 -0.332176378432E+03 0.35677E-04 -0.29531E-05 2725 0.163E-02 0.413E-02 RMM: 7 -0.332176374106E+03 0.43266E-05 -0.21140E-05 2514 0.141E-02 7134 T= 6709. E= 0.67570960E+03 F= 0.62409262E+03 E0= 0.65272060E+03 EK= 0.54633E+02 SP= -.34E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332797698840E+03 -0.62132E+00 -0.11131E-01 7696 0.244E+01 0.206E-01 RMM: 2 -0.332811894990E+03 -0.14196E-01 -0.94537E-02 5115 0.751E-01 0.968E-01 RMM: 3 -0.332805542965E+03 0.63520E-02 -0.10157E-02 5640 0.204E-01 0.183E-01 RMM: 4 -0.332805299038E+03 0.24393E-03 -0.78172E-04 4661 0.641E-02 0.127E-01 RMM: 5 -0.332805199090E+03 0.99947E-04 -0.13392E-04 3826 0.302E-02 0.810E-02 RMM: 6 -0.332805161680E+03 0.37410E-04 -0.30930E-05 2800 0.172E-02 0.458E-02 RMM: 7 -0.332805156383E+03 0.52965E-05 -0.22088E-05 2518 0.142E-02 7135 T= 6838. E= 0.67570623E+03 F= 0.62346383E+03 E0= 0.65210827E+03 EK= 0.55683E+02 SP= -.38E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333291179203E+03 -0.48602E+00 -0.11879E-01 7824 0.246E+01 0.217E-01 RMM: 2 -0.333306400740E+03 -0.15222E-01 -0.11409E-01 5044 0.819E-01 0.930E-01 RMM: 3 -0.333300602558E+03 0.57982E-02 -0.12922E-02 5717 0.229E-01 0.141E-01 RMM: 4 -0.333300410204E+03 0.19235E-03 -0.83020E-04 4785 0.617E-02 0.134E-01 RMM: 5 -0.333300286606E+03 0.12360E-03 -0.11767E-04 3822 0.291E-02 0.703E-02 RMM: 6 -0.333300262070E+03 0.24537E-04 -0.27506E-05 2606 0.156E-02 0.489E-02 RMM: 7 -0.333300249159E+03 0.12910E-04 -0.31596E-05 2630 0.168E-02 7136 T= 6950. E= 0.67570299E+03 F= 0.62296874E+03 E0= 0.65162411E+03 EK= 0.56594E+02 SP= -.42E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333610667714E+03 -0.31041E+00 -0.12068E-01 7984 0.247E+01 0.195E-01 RMM: 2 -0.333625013291E+03 -0.14346E-01 -0.10328E-01 5079 0.761E-01 0.904E-01 RMM: 3 -0.333619438851E+03 0.55744E-02 -0.11196E-02 5820 0.208E-01 0.194E-01 RMM: 4 -0.333619108630E+03 0.33022E-03 -0.73144E-04 4682 0.630E-02 0.114E-01 RMM: 5 -0.333619014231E+03 0.94399E-04 -0.11413E-04 3730 0.277E-02 0.718E-02 RMM: 6 -0.333618989167E+03 0.25064E-04 -0.26433E-05 2674 0.160E-02 0.490E-02 RMM: 7 -0.333618979685E+03 0.94816E-05 -0.34476E-05 2648 0.167E-02 7137 T= 7038. E= 0.67570080E+03 F= 0.62265001E+03 E0= 0.65130834E+03 EK= 0.57316E+02 SP= -.45E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333721785018E+03 -0.10280E+00 -0.12555E-01 8120 0.248E+01 0.194E-01 RMM: 2 -0.333736429027E+03 -0.14644E-01 -0.11266E-01 5007 0.782E-01 0.856E-01 RMM: 3 -0.333731228516E+03 0.52005E-02 -0.12099E-02 5822 0.218E-01 0.175E-01 RMM: 4 -0.333730945574E+03 0.28294E-03 -0.71551E-04 4747 0.599E-02 0.108E-01 RMM: 5 -0.333730865100E+03 0.80474E-04 -0.10256E-04 3712 0.264E-02 0.746E-02 RMM: 6 -0.333730838011E+03 0.27090E-04 -0.25526E-05 2585 0.155E-02 0.467E-02 RMM: 7 -0.333730834179E+03 0.38317E-05 -0.22808E-05 2570 0.142E-02 7138 T= 7100. E= 0.67569902E+03 F= 0.62253816E+03 E0= 0.65119265E+03 EK= 0.57814E+02 SP= -.49E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333599756459E+03 0.13108E+00 -0.13157E-01 8240 0.248E+01 0.171E-01 RMM: 2 -0.333613390192E+03 -0.13634E-01 -0.11255E-01 5028 0.757E-01 0.725E-01 RMM: 3 -0.333609211604E+03 0.41786E-02 -0.11279E-02 5917 0.213E-01 0.167E-01 RMM: 4 -0.333608967188E+03 0.24442E-03 -0.62153E-04 4679 0.569E-02 0.104E-01 RMM: 5 -0.333608894992E+03 0.72196E-04 -0.87707E-05 3553 0.263E-02 0.668E-02 RMM: 6 -0.333608873743E+03 0.21250E-04 -0.25993E-05 2617 0.157E-02 0.466E-02 RMM: 7 -0.333608869264E+03 0.44790E-05 -0.37522E-05 2710 0.173E-02 7139 T= 7129. E= 0.67569735E+03 F= 0.62266012E+03 E0= 0.65130395E+03 EK= 0.58056E+02 SP= -.52E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333219479063E+03 0.38939E+00 -0.14015E-01 8328 0.249E+01 0.182E-01 RMM: 2 -0.333234800684E+03 -0.15322E-01 -0.12589E-01 4945 0.806E-01 0.777E-01 RMM: 3 -0.333229997394E+03 0.48033E-02 -0.13209E-02 5982 0.235E-01 0.166E-01 RMM: 4 -0.333229748664E+03 0.24873E-03 -0.70462E-04 4748 0.596E-02 0.102E-01 RMM: 5 -0.333229686263E+03 0.62401E-04 -0.10025E-04 3623 0.278E-02 0.747E-02 RMM: 6 -0.333229657403E+03 0.28860E-04 -0.29119E-05 2667 0.165E-02 0.452E-02 RMM: 7 -0.333229658381E+03 -0.97861E-06 -0.28353E-05 2621 0.156E-02 7140 T= 7124. E= 0.67569617E+03 F= 0.62303933E+03 E0= 0.65166793E+03 EK= 0.58015E+02 SP= -.55E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332568422035E+03 0.66124E+00 -0.14579E-01 8384 0.249E+01 0.183E-01 RMM: 2 -0.332585800330E+03 -0.17378E-01 -0.13595E-01 5264 0.806E-01 0.860E-01 RMM: 3 -0.332579680752E+03 0.61196E-02 -0.12256E-02 5731 0.233E-01 0.188E-01 RMM: 4 -0.332579406440E+03 0.27431E-03 -0.76432E-04 4748 0.607E-02 0.932E-02 RMM: 5 -0.332579353381E+03 0.53059E-04 -0.96373E-05 3611 0.269E-02 0.706E-02 RMM: 6 -0.332579330051E+03 0.23330E-04 -0.28254E-05 2639 0.163E-02 0.479E-02 RMM: 7 -0.332579335423E+03 -0.53719E-05 -0.29528E-05 2634 0.158E-02 7141 T= 7083. E= 0.67569620E+03 F= 0.62368965E+03 E0= 0.65230032E+03 EK= 0.57678E+02 SP= -.58E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331652403655E+03 0.92693E+00 -0.15114E-01 8432 0.248E+01 0.200E-01 RMM: 2 -0.331670959787E+03 -0.18556E-01 -0.14927E-01 5271 0.842E-01 0.859E-01 RMM: 3 -0.331664732798E+03 0.62270E-02 -0.13982E-02 5838 0.246E-01 0.182E-01 RMM: 4 -0.331664484025E+03 0.24877E-03 -0.82851E-04 4769 0.627E-02 0.111E-01 RMM: 5 -0.331664421648E+03 0.62377E-04 -0.11942E-04 3727 0.301E-02 0.817E-02 RMM: 6 -0.331664384662E+03 0.36986E-04 -0.33413E-05 2809 0.176E-02 0.456E-02 RMM: 7 -0.331664390177E+03 -0.55150E-05 -0.27162E-05 2589 0.157E-02 7142 T= 7006. E= 0.67569844E+03 F= 0.62460460E+03 E0= 0.65319776E+03 EK= 0.57051E+02 SP= -.61E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330510384115E+03 0.11540E+01 -0.15521E-01 8576 0.247E+01 0.226E-01 RMM: 2 -0.330532683813E+03 -0.22300E-01 -0.16506E-01 5265 0.869E-01 0.104E+00 RMM: 3 -0.330523910523E+03 0.87733E-02 -0.14437E-02 5845 0.252E-01 0.220E-01 RMM: 4 -0.330523535285E+03 0.37524E-03 -0.94285E-04 4782 0.670E-02 0.110E-01 RMM: 5 -0.330523474615E+03 0.60670E-04 -0.13178E-04 3809 0.297E-02 0.875E-02 RMM: 6 -0.330523432135E+03 0.42479E-04 -0.34662E-05 2889 0.181E-02 0.498E-02 RMM: 7 -0.330523439159E+03 -0.70232E-05 -0.28073E-05 2613 0.158E-02 7143 T= 6898. E= 0.67570364E+03 F= 0.62574555E+03 E0= 0.65432386E+03 EK= 0.56176E+02 SP= -.63E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329223296291E+03 0.13001E+01 -0.15626E-01 8352 0.245E+01 0.258E-01 RMM: 2 -0.329248425011E+03 -0.25129E-01 -0.18300E-01 5293 0.906E-01 0.113E+00 RMM: 3 -0.329238087061E+03 0.10338E-01 -0.15695E-02 5842 0.261E-01 0.229E-01 RMM: 4 -0.329237653923E+03 0.43314E-03 -0.11066E-03 4799 0.718E-02 0.126E-01 RMM: 5 -0.329237587087E+03 0.66836E-04 -0.16375E-04 3899 0.332E-02 0.984E-02 RMM: 6 -0.329237527358E+03 0.59729E-04 -0.45602E-05 3108 0.203E-02 0.474E-02 RMM: 7 -0.329237533162E+03 -0.58040E-05 -0.27537E-05 2608 0.160E-02 7144 T= 6771. E= 0.67571159E+03 F= 0.62703146E+03 E0= 0.65560067E+03 EK= 0.55139E+02 SP= -.66E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327910158670E+03 0.13274E+01 -0.15804E-01 8320 0.242E+01 0.288E-01 RMM: 2 -0.327939653541E+03 -0.29495E-01 -0.19137E-01 5517 0.908E-01 0.136E+00 RMM: 3 -0.327925339032E+03 0.14315E-01 -0.15307E-02 5782 0.261E-01 0.283E-01 RMM: 4 -0.327924747712E+03 0.59132E-03 -0.13386E-03 4780 0.791E-02 0.126E-01 RMM: 5 -0.327924685418E+03 0.62294E-04 -0.19928E-04 3906 0.345E-02 0.112E-01 RMM: 6 -0.327924606719E+03 0.78699E-04 -0.58938E-05 3319 0.228E-02 0.501E-02 RMM: 7 -0.327924612563E+03 -0.58437E-05 -0.27662E-05 2604 0.155E-02 7145 T= 6639. E= 0.67572108E+03 F= 0.62834438E+03 E0= 0.65691124E+03 EK= 0.54062E+02 SP= -.68E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326702755592E+03 0.12219E+01 -0.17023E-01 8416 0.239E+01 0.306E-01 RMM: 2 -0.326735643398E+03 -0.32888E-01 -0.21692E-01 5193 0.990E-01 0.141E+00 RMM: 3 -0.326720792749E+03 0.14851E-01 -0.20916E-02 5756 0.292E-01 0.299E-01 RMM: 4 -0.326719990523E+03 0.80223E-03 -0.16098E-03 4891 0.862E-02 0.126E-01 RMM: 5 -0.326719944301E+03 0.46222E-04 -0.24331E-04 3923 0.374E-02 0.117E-01 RMM: 6 -0.326719856532E+03 0.87769E-04 -0.69765E-05 3445 0.241E-02 0.480E-02 RMM: 7 -0.326719864579E+03 -0.80469E-05 -0.30786E-05 2700 0.166E-02 7146 T= 6518. E= 0.67572975E+03 F= 0.62954912E+03 E0= 0.65812252E+03 EK= 0.53082E+02 SP= -.70E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325731941170E+03 0.98792E+00 -0.17202E-01 8624 0.237E+01 0.313E-01 RMM: 2 -0.325766170150E+03 -0.34229E-01 -0.20676E-01 5254 0.963E-01 0.153E+00 RMM: 3 -0.325749090575E+03 0.17080E-01 -0.19558E-02 5688 0.289E-01 0.303E-01 RMM: 4 -0.325748339692E+03 0.75088E-03 -0.16857E-03 4846 0.883E-02 0.128E-01 RMM: 5 -0.325748291274E+03 0.48417E-04 -0.25796E-04 3942 0.376E-02 0.123E-01 RMM: 6 -0.325748192142E+03 0.99132E-04 -0.78916E-05 3553 0.256E-02 0.473E-02 RMM: 7 -0.325748200989E+03 -0.88471E-05 -0.28843E-05 2651 0.159E-02 7147 T= 6426. E= 0.67573527E+03 F= 0.63052079E+03 E0= 0.65910861E+03 EK= 0.52327E+02 SP= -.72E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325078322347E+03 0.66987E+00 -0.17775E-01 8912 0.235E+01 0.304E-01 RMM: 2 -0.325110517326E+03 -0.32195E-01 -0.20090E-01 5277 0.943E-01 0.145E+00 RMM: 3 -0.325094979129E+03 0.15538E-01 -0.17530E-02 5672 0.279E-01 0.306E-01 RMM: 4 -0.325094235102E+03 0.74403E-03 -0.15830E-03 4822 0.849E-02 0.114E-01 RMM: 5 -0.325094202635E+03 0.32467E-04 -0.24451E-04 3950 0.371E-02 0.117E-01 RMM: 6 -0.325094114795E+03 0.87840E-04 -0.72782E-05 3481 0.246E-02 0.469E-02 RMM: 7 -0.325094127387E+03 -0.12592E-04 -0.37639E-05 2914 0.181E-02 7148 T= 6372. E= 0.67573669E+03 F= 0.63117486E+03 E0= 0.65978554E+03 EK= 0.51887E+02 SP= -.74E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324768674167E+03 0.32544E+00 -0.17642E-01 9008 0.234E+01 0.276E-01 RMM: 2 -0.324797110434E+03 -0.28436E-01 -0.18167E-01 5418 0.883E-01 0.133E+00 RMM: 3 -0.324783700038E+03 0.13410E-01 -0.14257E-02 5701 0.252E-01 0.261E-01 RMM: 4 -0.324783194369E+03 0.50567E-03 -0.13248E-03 4737 0.783E-02 0.122E-01 RMM: 5 -0.324783142891E+03 0.51478E-04 -0.20800E-04 3913 0.345E-02 0.113E-01 RMM: 6 -0.324783059428E+03 0.83463E-04 -0.67560E-05 3433 0.240E-02 0.451E-02 RMM: 7 -0.324783072869E+03 -0.13441E-04 -0.29885E-05 2664 0.161E-02 7149 T= 6359. E= 0.67573253E+03 F= 0.63148592E+03 E0= 0.66012563E+03 EK= 0.51787E+02 SP= -.76E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324757670871E+03 0.25389E-01 -0.18364E-01 9008 0.235E+01 0.265E-01 RMM: 2 -0.324784151290E+03 -0.26480E-01 -0.17933E-01 5432 0.876E-01 0.124E+00 RMM: 3 -0.324772580391E+03 0.11571E-01 -0.13792E-02 5725 0.247E-01 0.277E-01 RMM: 4 -0.324771994283E+03 0.58611E-03 -0.12471E-03 4762 0.748E-02 0.103E-01 RMM: 5 -0.324771953488E+03 0.40795E-04 -0.18800E-04 3925 0.328E-02 0.102E-01 RMM: 6 -0.324771890788E+03 0.62700E-04 -0.54728E-05 3266 0.216E-02 0.489E-02 RMM: 7 -0.324771908694E+03 -0.17906E-04 -0.45364E-05 3024 0.193E-02 7150 T= 6384. E= 0.67572420E+03 F= 0.63149708E+03 E0= 0.66017174E+03 EK= 0.51989E+02 SP= -.79E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324952479778E+03 -0.18059E+00 -0.18638E-01 9040 0.238E+01 0.229E-01 RMM: 2 -0.324975945639E+03 -0.23466E-01 -0.16595E-01 5609 0.827E-01 0.108E+00 RMM: 3 -0.324966248012E+03 0.96976E-02 -0.11153E-02 5663 0.220E-01 0.224E-01 RMM: 4 -0.324965866198E+03 0.38181E-03 -0.10137E-03 4744 0.682E-02 0.112E-01 RMM: 5 -0.324965813956E+03 0.52242E-04 -0.15550E-04 3874 0.308E-02 0.975E-02 RMM: 6 -0.324965756826E+03 0.57129E-04 -0.43917E-05 3109 0.198E-02 0.501E-02 RMM: 7 -0.324965771611E+03 -0.14784E-04 -0.30571E-05 2664 0.160E-02 7151 T= 6435. E= 0.67571426E+03 F= 0.63130322E+03 E0= 0.66001676E+03 EK= 0.52400E+02 SP= -.81E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325238892394E+03 -0.27314E+00 -0.18670E-01 9032 0.241E+01 0.236E-01 RMM: 2 -0.325261571693E+03 -0.22679E-01 -0.16618E-01 5558 0.835E-01 0.107E+00 RMM: 3 -0.325252507127E+03 0.90646E-02 -0.12043E-02 5713 0.228E-01 0.245E-01 RMM: 4 -0.325252052441E+03 0.45469E-03 -0.10083E-03 4808 0.661E-02 0.102E-01 RMM: 5 -0.325252006432E+03 0.46009E-04 -0.14509E-04 3860 0.298E-02 0.968E-02 RMM: 6 -0.325251954872E+03 0.51560E-04 -0.43420E-05 3112 0.194E-02 0.541E-02 RMM: 7 -0.325251977167E+03 -0.22295E-04 -0.67018E-05 3487 0.217E-02 0.889E-02 RMM: 8 -0.325251929159E+03 0.48008E-04 -0.58631E-05 3177 0.191E-02 0.398E-02 RMM: 9 -0.325251922556E+03 0.66025E-05 -0.18935E-05 2518 0.122E-02 7152 T= 6497. E= 0.67570659E+03 F= 0.63101707E+03 E0= 0.65977315E+03 EK= 0.52910E+02 SP= -.83E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325530087602E+03 -0.27816E+00 -0.18863E-01 9072 0.244E+01 0.205E-01 RMM: 2 -0.325550724730E+03 -0.20637E-01 -0.16671E-01 5618 0.843E-01 0.883E-01 RMM: 3 -0.325543995267E+03 0.67295E-02 -0.11706E-02 5812 0.210E-01 0.165E-01 RMM: 4 -0.325543790097E+03 0.20517E-03 -0.80047E-04 4698 0.630E-02 0.159E-01 RMM: 5 -0.325543622882E+03 0.16722E-03 -0.14256E-04 3866 0.305E-02 0.738E-02 RMM: 6 -0.325543596258E+03 0.26624E-04 -0.35405E-05 2950 0.180E-02 0.546E-02 RMM: 7 -0.325543605247E+03 -0.89886E-05 -0.36154E-05 2676 0.167E-02 7153 T= 6562. E= 0.67570391E+03 F= 0.63072538E+03 E0= 0.65952697E+03 EK= 0.53433E+02 SP= -.86E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325806162475E+03 -0.26257E+00 -0.17709E-01 9096 0.246E+01 0.245E-01 RMM: 2 -0.325828215958E+03 -0.22053E-01 -0.15871E-01 5602 0.856E-01 0.108E+00 RMM: 3 -0.325819369104E+03 0.88469E-02 -0.12765E-02 5705 0.232E-01 0.217E-01 RMM: 4 -0.325818987800E+03 0.38130E-03 -0.99805E-04 4865 0.645E-02 0.117E-01 RMM: 5 -0.325818922964E+03 0.64837E-04 -0.12308E-04 3908 0.269E-02 0.925E-02 RMM: 6 -0.325818891097E+03 0.31866E-04 -0.35165E-05 2944 0.178E-02 0.701E-02 RMM: 7 -0.325818940983E+03 -0.49885E-04 -0.80043E-05 3667 0.229E-02 0.117E-01 RMM: 8 -0.325818857397E+03 0.83585E-04 -0.81769E-05 3770 0.226E-02 0.406E-02 RMM: 9 -0.325818848460E+03 0.89372E-05 -0.16300E-05 2527 0.116E-02 7154 T= 6624. E= 0.67570571E+03 F= 0.63045014E+03 E0= 0.65930001E+03 EK= 0.53944E+02 SP= -.88E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326102987972E+03 -0.28413E+00 -0.15755E-01 8800 0.247E+01 0.273E-01 RMM: 2 -0.326127332683E+03 -0.24345E-01 -0.16741E-01 5295 0.910E-01 0.119E+00 RMM: 3 -0.326117023017E+03 0.10310E-01 -0.15871E-02 5698 0.256E-01 0.258E-01 RMM: 4 -0.326116521503E+03 0.50151E-03 -0.13617E-03 4809 0.817E-02 0.154E-01 RMM: 5 -0.326116389282E+03 0.13222E-03 -0.20808E-04 3953 0.330E-02 0.109E-01 RMM: 6 -0.326116316714E+03 0.72568E-04 -0.52107E-05 3213 0.220E-02 0.484E-02 RMM: 7 -0.326116323167E+03 -0.64535E-05 -0.24226E-05 2577 0.140E-02 7155 T= 6690. E= 0.67570901E+03 F= 0.63015267E+03 E0= 0.65905432E+03 EK= 0.54476E+02 SP= -.90E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326474397600E+03 -0.35808E+00 -0.12528E-01 8256 0.247E+01 0.238E-01 RMM: 2 -0.326494598586E+03 -0.20201E-01 -0.13207E-01 5380 0.811E-01 0.113E+00 RMM: 3 -0.326485273014E+03 0.93256E-02 -0.12368E-02 5646 0.236E-01 0.232E-01 RMM: 4 -0.326484862164E+03 0.41085E-03 -0.10008E-03 4910 0.648E-02 0.104E-01 RMM: 5 -0.326484810774E+03 0.51390E-04 -0.11672E-04 3944 0.267E-02 0.876E-02 RMM: 6 -0.326484780533E+03 0.30241E-04 -0.24963E-05 2585 0.150E-02 0.654E-02 RMM: 7 -0.326484805952E+03 -0.25419E-04 -0.66645E-05 3454 0.219E-02 0.980E-02 RMM: 8 -0.326484744243E+03 0.61710E-04 -0.88405E-05 3866 0.222E-02 0.308E-02 RMM: 9 -0.326484742523E+03 0.17195E-05 -0.14266E-05 2523 0.108E-02 7156 T= 6763. E= 0.67570922E+03 F= 0.62978425E+03 E0= 0.65874021E+03 EK= 0.55071E+02 SP= -.92E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326909166011E+03 -0.42442E+00 -0.12176E-01 7560 0.248E+01 0.257E-01 RMM: 2 -0.326932201106E+03 -0.23035E-01 -0.16047E-01 4838 0.936E-01 0.117E+00 RMM: 3 -0.326922697646E+03 0.95035E-02 -0.18433E-02 5802 0.264E-01 0.189E-01 RMM: 4 -0.326922397759E+03 0.29989E-03 -0.12432E-03 4884 0.804E-02 0.186E-01 RMM: 5 -0.326922188589E+03 0.20917E-03 -0.20693E-04 3889 0.351E-02 0.989E-02 RMM: 6 -0.326922126849E+03 0.61740E-04 -0.54743E-05 3266 0.216E-02 0.397E-02 RMM: 7 -0.326922126253E+03 0.59614E-06 -0.23235E-05 2539 0.142E-02 7157 T= 6843. E= 0.67570458E+03 F= 0.62934686E+03 E0= 0.65836028E+03 EK= 0.55721E+02 SP= -.94E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327346491087E+03 -0.42436E+00 -0.12522E-01 7960 0.249E+01 0.212E-01 RMM: 2 -0.327363866039E+03 -0.17375E-01 -0.12716E-01 5175 0.808E-01 0.963E-01 RMM: 3 -0.327357264099E+03 0.66019E-02 -0.12692E-02 5840 0.221E-01 0.229E-01 RMM: 4 -0.327356787684E+03 0.47641E-03 -0.82601E-04 4743 0.638E-02 0.100E-01 RMM: 5 -0.327356715001E+03 0.72684E-04 -0.11617E-04 3992 0.267E-02 0.762E-02 RMM: 6 -0.327356694420E+03 0.20580E-04 -0.29076E-05 2652 0.164E-02 0.619E-02 RMM: 7 -0.327356707267E+03 -0.12847E-04 -0.60660E-05 3326 0.204E-02 7158 T= 6920. E= 0.67569820E+03 F= 0.62891228E+03 E0= 0.65798440E+03 EK= 0.56356E+02 SP= -.96E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327674073623E+03 -0.31738E+00 -0.14323E-01 8448 0.250E+01 0.243E-01 RMM: 2 -0.327695036409E+03 -0.20963E-01 -0.15959E-01 5294 0.878E-01 0.102E+00 RMM: 3 -0.327687285854E+03 0.77506E-02 -0.14440E-02 5879 0.236E-01 0.200E-01 RMM: 4 -0.327686976385E+03 0.30947E-03 -0.10666E-03 4702 0.737E-02 0.176E-01 RMM: 5 -0.327686783312E+03 0.19307E-03 -0.17525E-04 3884 0.340E-02 0.896E-02 RMM: 6 -0.327686746402E+03 0.36910E-04 -0.35644E-05 2932 0.182E-02 0.591E-02 RMM: 7 -0.327686743302E+03 0.30995E-05 -0.39688E-05 2739 0.180E-02 7159 T= 6984. E= 0.67569343E+03 F= 0.62858225E+03 E0= 0.65771218E+03 EK= 0.56873E+02 SP= -.98E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327816167614E+03 -0.12942E+00 -0.16516E-01 8768 0.249E+01 0.256E-01 RMM: 2 -0.327843068228E+03 -0.26901E-01 -0.19497E-01 5511 0.941E-01 0.119E+00 RMM: 3 -0.327832501383E+03 0.10567E-01 -0.16055E-02 5789 0.250E-01 0.235E-01 RMM: 4 -0.327832029056E+03 0.47233E-03 -0.11866E-03 4815 0.725E-02 0.148E-01 RMM: 5 -0.327831906340E+03 0.12272E-03 -0.15152E-04 4011 0.307E-02 0.103E-01 RMM: 6 -0.327831870071E+03 0.36269E-04 -0.30958E-05 2723 0.169E-02 0.850E-02 RMM: 7 -0.327831873948E+03 -0.38774E-05 -0.67967E-05 3440 0.210E-02 7160 T= 7023. E= 0.67569211E+03 F= 0.62843712E+03 E0= 0.65762112E+03 EK= 0.57190E+02 SP= -.10E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327742509341E+03 0.89361E-01 -0.18842E-01 8912 0.247E+01 0.227E-01 RMM: 2 -0.327768417459E+03 -0.25908E-01 -0.20880E-01 5688 0.930E-01 0.100E+00 RMM: 3 -0.327759947584E+03 0.84699E-02 -0.13054E-02 5733 0.232E-01 0.209E-01 RMM: 4 -0.327759637003E+03 0.31058E-03 -0.10546E-03 4821 0.689E-02 0.149E-01 RMM: 5 -0.327759504351E+03 0.13265E-03 -0.13908E-04 3865 0.296E-02 0.932E-02 RMM: 6 -0.327759479201E+03 0.25150E-04 -0.33278E-05 2909 0.175E-02 0.785E-02 RMM: 7 -0.327759484980E+03 -0.57781E-05 -0.72492E-05 3523 0.220E-02 7161 T= 7033. E= 0.67569245E+03 F= 0.62850950E+03 E0= 0.65774046E+03 EK= 0.57270E+02 SP= -.10E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327452314904E+03 0.30716E+00 -0.23031E-01 8936 0.245E+01 0.208E-01 RMM: 2 -0.327481189164E+03 -0.28874E-01 -0.25594E-01 5594 0.101E+00 0.852E-01 RMM: 3 -0.327473829244E+03 0.73599E-02 -0.17000E-02 5772 0.253E-01 0.185E-01 RMM: 4 -0.327473512328E+03 0.31692E-03 -0.10995E-03 4900 0.701E-02 0.157E-01 RMM: 5 -0.327473360476E+03 0.15185E-03 -0.14628E-04 3920 0.312E-02 0.944E-02 RMM: 6 -0.327473329689E+03 0.30787E-04 -0.34609E-05 2886 0.176E-02 0.786E-02 RMM: 7 -0.327473327007E+03 0.26820E-05 -0.93705E-05 3821 0.229E-02 7162 T= 7014. E= 0.67569409E+03 F= 0.62879566E+03 E0= 0.65806295E+03 EK= 0.57116E+02 SP= -.10E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326971663216E+03 0.50167E+00 -0.27969E-01 8888 0.242E+01 0.265E-01 RMM: 2 -0.327009852034E+03 -0.38189E-01 -0.28660E-01 5554 0.106E+00 0.130E+00 RMM: 3 -0.326995622684E+03 0.14229E-01 -0.18850E-02 5619 0.283E-01 0.286E-01 RMM: 4 -0.326994950394E+03 0.67229E-03 -0.15969E-03 4961 0.832E-02 0.131E-01 RMM: 5 -0.326994870107E+03 0.80286E-04 -0.20380E-04 4154 0.329E-02 0.110E-01 RMM: 6 -0.326994815114E+03 0.54993E-04 -0.43990E-05 3076 0.197E-02 0.776E-02 RMM: 7 -0.326994831309E+03 -0.16195E-04 -0.53420E-05 3220 0.200E-02 7163 T= 6969. E= 0.67569686E+03 F= 0.62927416E+03 E0= 0.65856482E+03 EK= 0.56749E+02 SP= -.10E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326329757140E+03 0.66506E+00 -0.34170E-01 8856 0.239E+01 0.264E-01 RMM: 2 -0.326372196541E+03 -0.42439E-01 -0.31341E-01 5897 0.109E+00 0.139E+00 RMM: 3 -0.326356573102E+03 0.15623E-01 -0.18020E-02 5477 0.295E-01 0.273E-01 RMM: 4 -0.326356072985E+03 0.50012E-03 -0.16583E-03 5098 0.818E-02 0.135E-01 RMM: 5 -0.326355976704E+03 0.96281E-04 -0.19218E-04 4110 0.330E-02 0.108E-01 RMM: 6 -0.326355923286E+03 0.53418E-04 -0.48033E-05 3143 0.202E-02 0.723E-02 RMM: 7 -0.326355952392E+03 -0.29106E-04 -0.61713E-05 3394 0.204E-02 0.109E-01 RMM: 8 -0.326355888193E+03 0.64199E-04 -0.10233E-04 3885 0.249E-02 0.544E-02 RMM: 9 -0.326355871860E+03 0.16333E-04 -0.25200E-05 2633 0.137E-02 7164 T= 6901. E= 0.67570031E+03 F= 0.62991312E+03 E0= 0.65921290E+03 EK= 0.56201E+02 SP= -.10E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325568809554E+03 0.78708E+00 -0.43333E-01 8824 0.237E+01 0.240E-01 RMM: 2 -0.325607935458E+03 -0.39126E-01 -0.34300E-01 6431 0.113E+00 0.960E-01 RMM: 3 -0.325599225152E+03 0.87103E-02 -0.15702E-02 5519 0.270E-01 0.225E-01 RMM: 4 -0.325599023166E+03 0.20199E-03 -0.13136E-03 4984 0.781E-02 0.203E-01 RMM: 5 -0.325598774155E+03 0.24901E-03 -0.22167E-04 3968 0.386E-02 0.107E-01 RMM: 6 -0.325598709535E+03 0.64620E-04 -0.68325E-05 3414 0.239E-02 0.599E-02 RMM: 7 -0.325598728306E+03 -0.18771E-04 -0.72569E-05 3590 0.221E-02 7165 T= 6818. E= 0.67570296E+03 F= 0.63067026E+03 E0= 0.65996414E+03 EK= 0.55518E+02 SP= -.10E+02 SK= 0.76E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324734935288E+03 0.86377E+00 -0.51358E-01 8632 0.235E+01 0.235E-01 RMM: 2 -0.324776236867E+03 -0.41302E-01 -0.35513E-01 6680 0.114E+00 0.104E+00 RMM: 3 -0.324766859722E+03 0.93771E-02 -0.13538E-02 5508 0.259E-01 0.216E-01 RMM: 4 -0.324766582096E+03 0.27763E-03 -0.11293E-03 4935 0.688E-02 0.145E-01 RMM: 5 -0.324766473602E+03 0.10849E-03 -0.14549E-04 3954 0.310E-02 0.100E-01 RMM: 6 -0.324766437741E+03 0.35862E-04 -0.41928E-05 3050 0.191E-02 0.745E-02 RMM: 7 -0.324766485269E+03 -0.47528E-04 -0.98313E-05 3853 0.240E-02 0.118E-01 RMM: 8 -0.324766402410E+03 0.82859E-04 -0.76878E-05 3655 0.223E-02 0.384E-02 RMM: 9 -0.324766398294E+03 0.41157E-05 -0.17278E-05 2515 0.119E-02 7166 T= 6723. E= 0.67570546E+03 F= 0.63150259E+03 E0= 0.66077767E+03 EK= 0.54746E+02 SP= -.11E+02 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323862848811E+03 0.90355E+00 -0.61037E-01 8648 0.233E+01 0.226E-01 RMM: 2 -0.323904598692E+03 -0.41750E-01 -0.40012E-01 6515 0.122E+00 0.664E-01 RMM: 3 -0.323899073777E+03 0.55249E-02 -0.16355E-02 5724 0.254E-01 0.187E-01 RMM: 4 -0.323898918303E+03 0.15547E-03 -0.11977E-03 4960 0.754E-02 0.218E-01 RMM: 5 -0.323898615319E+03 0.30298E-03 -0.23760E-04 3953 0.405E-02 0.860E-02 RMM: 6 -0.323898579561E+03 0.35758E-04 -0.54412E-05 3216 0.214E-02 0.551E-02 RMM: 7 -0.323898597988E+03 -0.18428E-04 -0.41783E-05 2843 0.180E-02 7167 T= 6622. E= 0.67570686E+03 F= 0.63237039E+03 E0= 0.66161270E+03 EK= 0.53927E+02 SP= -.11E+02 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322992091999E+03 0.90649E+00 -0.64093E-01 8680 0.232E+01 0.228E-01 RMM: 2 -0.323033010603E+03 -0.40919E-01 -0.36651E-01 7015 0.113E+00 0.919E-01 RMM: 3 -0.323025412860E+03 0.75977E-02 -0.10879E-02 5453 0.239E-01 0.215E-01 RMM: 4 -0.323025190185E+03 0.22268E-03 -0.10522E-03 4921 0.644E-02 0.142E-01 RMM: 5 -0.323025074154E+03 0.11603E-03 -0.13462E-04 3941 0.291E-02 0.925E-02 RMM: 6 -0.323025052626E+03 0.21528E-04 -0.35625E-05 2900 0.179E-02 0.776E-02 RMM: 7 -0.323025083357E+03 -0.30731E-04 -0.10483E-04 3879 0.258E-02 0.103E-01 RMM: 8 -0.323025018965E+03 0.64392E-04 -0.68420E-05 3518 0.217E-02 0.349E-02 RMM: 9 -0.323025017801E+03 0.11636E-05 -0.14846E-05 2497 0.110E-02 7168 T= 6520. E= 0.67570740E+03 F= 0.63324397E+03 E0= 0.66244213E+03 EK= 0.53097E+02 SP= -.11E+02 SK= 0.35E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322130665599E+03 0.89435E+00 -0.66859E-01 8768 0.232E+01 0.228E-01 RMM: 2 -0.322172233881E+03 -0.41568E-01 -0.38512E-01 6713 0.119E+00 0.778E-01 RMM: 3 -0.322165962415E+03 0.62715E-02 -0.14057E-02 5591 0.246E-01 0.200E-01 RMM: 4 -0.322165942848E+03 0.19567E-04 -0.11844E-03 4936 0.778E-02 0.232E-01 RMM: 5 -0.322165588787E+03 0.35406E-03 -0.24599E-04 3925 0.403E-02 0.830E-02 RMM: 6 -0.322165556783E+03 0.32004E-04 -0.53127E-05 3193 0.213E-02 0.519E-02 RMM: 7 -0.322165574378E+03 -0.17595E-04 -0.34688E-05 2731 0.170E-02 7169 T= 6420. E= 0.67570775E+03 F= 0.63410341E+03 E0= 0.66324768E+03 EK= 0.52279E+02 SP= -.11E+02 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321307204136E+03 0.85835E+00 -0.61481E-01 8800 0.232E+01 0.211E-01 RMM: 2 -0.321344863710E+03 -0.37660E-01 -0.33999E-01 6931 0.110E+00 0.853E-01 RMM: 3 -0.321338290547E+03 0.65732E-02 -0.10915E-02 5538 0.224E-01 0.191E-01 RMM: 4 -0.321338080171E+03 0.21038E-03 -0.89865E-04 4920 0.616E-02 0.142E-01 RMM: 5 -0.321337965451E+03 0.11472E-03 -0.12691E-04 3894 0.287E-02 0.867E-02 RMM: 6 -0.321337956095E+03 0.93555E-05 -0.36107E-05 2949 0.179E-02 7170 T= 6323. E= 0.67570805E+03 F= 0.63493103E+03 E0= 0.66401607E+03 EK= 0.51495E+02 SP= -.11E+02 SK= 0.46E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320541868404E+03 0.79610E+00 -0.55450E-01 8784 0.232E+01 0.337E-01 RMM: 2 -0.320595428478E+03 -0.53560E-01 -0.35207E-01 5989 0.117E+00 0.172E+00 RMM: 3 -0.320572749897E+03 0.22679E-01 -0.21762E-02 5452 0.327E-01 0.365E-01 RMM: 4 -0.320571797352E+03 0.95254E-03 -0.22671E-03 5145 0.951E-02 0.135E-01 RMM: 5 -0.320571740421E+03 0.56931E-04 -0.28198E-04 4082 0.365E-02 0.118E-01 RMM: 6 -0.320571671751E+03 0.68670E-04 -0.59321E-05 3297 0.214E-02 0.773E-02 RMM: 7 -0.320571707956E+03 -0.36205E-04 -0.52093E-05 3244 0.204E-02 0.105E-01 RMM: 8 -0.320571662001E+03 0.45954E-04 -0.10093E-04 3888 0.219E-02 0.659E-02 RMM: 9 -0.320571637664E+03 0.24338E-04 -0.28437E-05 2764 0.154E-02 0.270E-02 RMM: 10 -0.320571647176E+03 -0.95127E-05 -0.13004E-05 2493 0.111E-02 7171 T= 6236. E= 0.67571023E+03 F= 0.63569734E+03 E0= 0.66471928E+03 EK= 0.50780E+02 SP= -.11E+02 SK= 0.63E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319894668480E+03 0.67697E+00 -0.45565E-01 8864 0.233E+01 0.373E-01 RMM: 2 -0.319946566597E+03 -0.51898E-01 -0.31484E-01 5797 0.110E+00 0.182E+00 RMM: 3 -0.319921562234E+03 0.25004E-01 -0.21581E-02 5426 0.324E-01 0.368E-01 RMM: 4 -0.319920725277E+03 0.83696E-03 -0.27098E-03 5222 0.110E-01 0.190E-01 RMM: 5 -0.319920654235E+03 0.71042E-04 -0.41436E-04 4017 0.455E-02 0.175E-01 RMM: 6 -0.319920466029E+03 0.18821E-03 -0.13402E-04 3875 0.321E-02 0.560E-02 RMM: 7 -0.319920489400E+03 -0.23372E-04 -0.42627E-05 3093 0.177E-02 0.830E-02 RMM: 8 -0.319920463092E+03 0.26308E-04 -0.48446E-05 3084 0.208E-02 0.446E-02 RMM: 9 -0.319920455584E+03 0.75076E-05 -0.18215E-05 2515 0.129E-02 7172 T= 6163. E= 0.67571516E+03 F= 0.63634853E+03 E0= 0.66530748E+03 EK= 0.50192E+02 SP= -.11E+02 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319442704575E+03 0.47776E+00 -0.36562E-01 8912 0.233E+01 0.222E-01 RMM: 2 -0.319475307766E+03 -0.32603E-01 -0.27287E-01 5733 0.106E+00 0.993E-01 RMM: 3 -0.319466848377E+03 0.84594E-02 -0.17786E-02 5843 0.255E-01 0.205E-01 RMM: 4 -0.319466376736E+03 0.47164E-03 -0.11683E-03 4789 0.731E-02 0.138E-01 RMM: 5 -0.319466272094E+03 0.10464E-03 -0.16927E-04 3968 0.308E-02 0.930E-02 RMM: 6 -0.319466231629E+03 0.40465E-04 -0.41039E-05 3058 0.188E-02 0.631E-02 RMM: 7 -0.319466252255E+03 -0.20626E-04 -0.58237E-05 3345 0.208E-02 0.934E-02 RMM: 8 -0.319466195527E+03 0.56728E-04 -0.54209E-05 3221 0.198E-02 0.384E-02 RMM: 9 -0.319466191880E+03 0.36468E-05 -0.18559E-05 2520 0.122E-02 7173 T= 6117. E= 0.67572119E+03 F= 0.63680280E+03 E0= 0.66570108E+03 EK= 0.49814E+02 SP= -.11E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319290020538E+03 0.17617E+00 -0.28415E-01 8920 0.234E+01 0.263E-01 RMM: 2 -0.319322960082E+03 -0.32940E-01 -0.24038E-01 5426 0.101E+00 0.125E+00 RMM: 3 -0.319310625397E+03 0.12335E-01 -0.17917E-02 5663 0.271E-01 0.261E-01 RMM: 4 -0.319310048965E+03 0.57643E-03 -0.14964E-03 4873 0.809E-02 0.127E-01 RMM: 5 -0.319309980765E+03 0.68200E-04 -0.20632E-04 4021 0.331E-02 0.105E-01 RMM: 6 -0.319309918051E+03 0.62714E-04 -0.46691E-05 3142 0.198E-02 0.590E-02 RMM: 7 -0.319309929508E+03 -0.11457E-04 -0.34307E-05 2814 0.172E-02 7174 T= 6109. E= 0.67572667E+03 F= 0.63695906E+03 E0= 0.66580096E+03 EK= 0.49746E+02 SP= -.11E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319532883854E+03 -0.22297E+00 -0.21786E-01 9008 0.235E+01 0.242E-01 RMM: 2 -0.319561049245E+03 -0.28165E-01 -0.19247E-01 5563 0.904E-01 0.123E+00 RMM: 3 -0.319549351807E+03 0.11697E-01 -0.13552E-02 5518 0.247E-01 0.250E-01 RMM: 4 -0.319548902110E+03 0.44970E-03 -0.12571E-03 4870 0.707E-02 0.112E-01 RMM: 5 -0.319548848027E+03 0.54083E-04 -0.14798E-04 4185 0.281E-02 0.969E-02 RMM: 6 -0.319548811794E+03 0.36234E-04 -0.28987E-05 2692 0.160E-02 0.753E-02 RMM: 7 -0.319548840802E+03 -0.29008E-04 -0.63750E-05 3408 0.211E-02 0.109E-01 RMM: 8 -0.319548769836E+03 0.70966E-04 -0.10819E-04 3897 0.261E-02 0.516E-02 RMM: 9 -0.319548756756E+03 0.13080E-04 -0.24301E-05 2641 0.140E-02 7175 T= 6151. E= 0.67573042E+03 F= 0.63672023E+03 E0= 0.66551037E+03 EK= 0.50087E+02 SP= -.11E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320230358457E+03 -0.68159E+00 -0.17693E-01 8832 0.237E+01 0.243E-01 RMM: 2 -0.320255780921E+03 -0.25422E-01 -0.18779E-01 5124 0.935E-01 0.111E+00 RMM: 3 -0.320246350767E+03 0.94302E-02 -0.16368E-02 5687 0.258E-01 0.236E-01 RMM: 4 -0.320245900108E+03 0.45066E-03 -0.12966E-03 4813 0.783E-02 0.143E-01 RMM: 5 -0.320245816966E+03 0.83142E-04 -0.19924E-04 3896 0.350E-02 0.113E-01 RMM: 6 -0.320245739967E+03 0.76999E-04 -0.56821E-05 3294 0.218E-02 0.515E-02 RMM: 7 -0.320245745100E+03 -0.51324E-05 -0.24866E-05 2592 0.150E-02 7176 T= 6250. E= 0.67572907E+03 F= 0.63602324E+03 E0= 0.66476805E+03 EK= 0.50894E+02 SP= -.11E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321378782604E+03 -0.11330E+01 -0.14147E-01 8480 0.239E+01 0.213E-01 RMM: 2 -0.321400741718E+03 -0.21959E-01 -0.15705E-01 5135 0.870E-01 0.107E+00 RMM: 3 -0.321392229044E+03 0.85127E-02 -0.14734E-02 5736 0.243E-01 0.205E-01 RMM: 4 -0.321391820944E+03 0.40810E-03 -0.99258E-04 5037 0.646E-02 0.981E-02 RMM: 5 -0.321391775853E+03 0.45091E-04 -0.10491E-04 4003 0.254E-02 0.861E-02 RMM: 6 -0.321391757482E+03 0.18371E-04 -0.20969E-05 2557 0.137E-02 7177 T= 6405. E= 0.67572241E+03 F= 0.63487723E+03 E0= 0.66358186E+03 EK= 0.52157E+02 SP= -.11E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322884358640E+03 -0.14926E+01 -0.13776E-01 8416 0.243E+01 0.268E-01 RMM: 2 -0.322908436404E+03 -0.24078E-01 -0.14298E-01 5019 0.827E-01 0.130E+00 RMM: 3 -0.322895948478E+03 0.12488E-01 -0.14764E-02 5433 0.271E-01 0.244E-01 RMM: 4 -0.322895579095E+03 0.36938E-03 -0.15307E-03 5319 0.711E-02 0.114E-01 RMM: 5 -0.322895496401E+03 0.82694E-04 -0.11802E-04 3763 0.296E-02 0.931E-02 RMM: 6 -0.322895464857E+03 0.31544E-04 -0.30317E-05 2680 0.164E-02 0.778E-02 RMM: 7 -0.322895503998E+03 -0.39141E-04 -0.86256E-05 3787 0.249E-02 0.116E-01 RMM: 8 -0.322895417651E+03 0.86347E-04 -0.11810E-04 3898 0.234E-02 0.526E-02 RMM: 9 -0.322895403614E+03 0.14037E-04 -0.25416E-05 2690 0.147E-02 7178 T= 6604. E= 0.67571118E+03 F= 0.63337359E+03 E0= 0.66204354E+03 EK= 0.53780E+02 SP= -.11E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324589596628E+03 -0.16942E+01 -0.15114E-01 8568 0.247E+01 0.366E-01 RMM: 2 -0.324624108604E+03 -0.34512E-01 -0.16524E-01 4923 0.934E-01 0.175E+00 RMM: 3 -0.324602727406E+03 0.21381E-01 -0.19893E-02 5471 0.312E-01 0.345E-01 RMM: 4 -0.324601965520E+03 0.76189E-03 -0.23018E-03 5106 0.104E-01 0.186E-01 RMM: 5 -0.324601942856E+03 0.22664E-04 -0.39142E-04 3983 0.477E-02 0.188E-01 RMM: 6 -0.324601713158E+03 0.22970E-03 -0.13846E-04 3877 0.333E-02 0.533E-02 RMM: 7 -0.324601735996E+03 -0.22838E-04 -0.48421E-05 3195 0.190E-02 0.827E-02 RMM: 8 -0.324601697879E+03 0.38117E-04 -0.41454E-05 2907 0.199E-02 0.356E-02 RMM: 9 -0.324601697580E+03 0.29940E-06 -0.16384E-05 2519 0.119E-02 7179 T= 6828. E= 0.67569856E+03 F= 0.63166729E+03 E0= 0.66030624E+03 EK= 0.55604E+02 SP= -.12E+02 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326319310349E+03 -0.17176E+01 -0.16973E-01 8656 0.251E+01 0.260E-01 RMM: 2 -0.326344790116E+03 -0.25480E-01 -0.19008E-01 5052 0.961E-01 0.112E+00 RMM: 3 -0.326335305982E+03 0.94841E-02 -0.19130E-02 5799 0.275E-01 0.231E-01 RMM: 4 -0.326334807022E+03 0.49896E-03 -0.12910E-03 4873 0.765E-02 0.135E-01 RMM: 5 -0.326334676537E+03 0.13048E-03 -0.17587E-04 3919 0.334E-02 0.840E-02 RMM: 6 -0.326334645018E+03 0.31519E-04 -0.34143E-05 2805 0.174E-02 0.615E-02 RMM: 7 -0.326334639113E+03 0.59051E-05 -0.36486E-05 2707 0.180E-02 7180 T= 7054. E= 0.67568750E+03 F= 0.62993435E+03 E0= 0.65854327E+03 EK= 0.57447E+02 SP= -.12E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327920279585E+03 -0.15856E+01 -0.19450E-01 8816 0.254E+01 0.255E-01 RMM: 2 -0.327950528011E+03 -0.30248E-01 -0.22525E-01 5086 0.101E+00 0.120E+00 RMM: 3 -0.327939418778E+03 0.11109E-01 -0.21046E-02 5895 0.282E-01 0.264E-01 RMM: 4 -0.327938724301E+03 0.69448E-03 -0.13067E-03 4863 0.787E-02 0.127E-01 RMM: 5 -0.327938630840E+03 0.93461E-04 -0.17670E-04 4221 0.316E-02 0.985E-02 RMM: 6 -0.327938596600E+03 0.34239E-04 -0.32002E-05 2664 0.171E-02 0.790E-02 RMM: 7 -0.327938599215E+03 -0.26146E-05 -0.96632E-05 3839 0.248E-02 7181 T= 7263. E= 0.67567964E+03 F= 0.62833039E+03 E0= 0.65691004E+03 EK= 0.59145E+02 SP= -.12E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329281300982E+03 -0.13427E+01 -0.22108E-01 8760 0.256E+01 0.275E-01 RMM: 2 -0.329314432130E+03 -0.33131E-01 -0.26526E-01 5033 0.109E+00 0.114E+00 RMM: 3 -0.329303598551E+03 0.10834E-01 -0.24440E-02 5946 0.300E-01 0.230E-01 RMM: 4 -0.329303074326E+03 0.52423E-03 -0.15020E-03 5000 0.856E-02 0.180E-01 RMM: 5 -0.329302883650E+03 0.19068E-03 -0.23322E-04 3894 0.374E-02 0.108E-01 RMM: 6 -0.329302823594E+03 0.60056E-04 -0.65466E-05 3392 0.231E-02 0.648E-02 RMM: 7 -0.329302831968E+03 -0.83737E-05 -0.41433E-05 2930 0.182E-02 7182 T= 7439. E= 0.67567469E+03 F= 0.62696616E+03 E0= 0.65551723E+03 EK= 0.60575E+02 SP= -.12E+02 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330333675268E+03 -0.10309E+01 -0.24958E-01 8888 0.257E+01 0.255E-01 RMM: 2 -0.330370970546E+03 -0.37295E-01 -0.30806E-01 5054 0.115E+00 0.111E+00 RMM: 3 -0.330360261668E+03 0.10709E-01 -0.27687E-02 6065 0.309E-01 0.251E-01 RMM: 4 -0.330359477160E+03 0.78451E-03 -0.14891E-03 4955 0.855E-02 0.148E-01 RMM: 5 -0.330359347449E+03 0.12971E-03 -0.21187E-04 3958 0.353E-02 0.999E-02 RMM: 6 -0.330359307326E+03 0.40122E-04 -0.51575E-05 3189 0.204E-02 0.757E-02 RMM: 7 -0.330359319040E+03 -0.11713E-04 -0.76574E-05 3618 0.226E-02 7183 T= 7572. E= 0.67567088E+03 F= 0.62590967E+03 E0= 0.65442976E+03 EK= 0.61660E+02 SP= -.12E+02 SK= 0.96E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.331035757825E+03 -0.67645E+00 -0.28870E-01 8776 0.257E+01 0.267E-01 RMM: 2 -0.331077162725E+03 -0.41405E-01 -0.35305E-01 5165 0.123E+00 0.108E+00 RMM: 3 -0.331065927391E+03 0.11235E-01 -0.28968E-02 5892 0.325E-01 0.237E-01 RMM: 4 -0.331065272971E+03 0.65442E-03 -0.17465E-03 5190 0.898E-02 0.156E-01 RMM: 5 -0.331065147196E+03 0.12578E-03 -0.23844E-04 4067 0.350E-02 0.117E-01 RMM: 6 -0.331065071110E+03 0.76086E-04 -0.66418E-05 3388 0.229E-02 0.626E-02 RMM: 7 -0.331065085714E+03 -0.14604E-04 -0.47600E-05 3073 0.189E-02 7184 T= 7656. E= 0.67566806E+03 F= 0.62520390E+03 E0= 0.65369088E+03 EK= 0.62347E+02 SP= -.12E+02 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331363420775E+03 -0.29835E+00 -0.32745E-01 9016 0.256E+01 0.264E-01 RMM: 2 -0.331405734222E+03 -0.42313E-01 -0.35896E-01 5288 0.119E+00 0.109E+00 RMM: 3 -0.331393684831E+03 0.12049E-01 -0.26957E-02 5892 0.316E-01 0.231E-01 RMM: 4 -0.331393087012E+03 0.59782E-03 -0.16486E-03 5079 0.867E-02 0.167E-01 RMM: 5 -0.331392927731E+03 0.15928E-03 -0.23044E-04 3953 0.372E-02 0.103E-01 RMM: 6 -0.331392875044E+03 0.52687E-04 -0.63094E-05 3353 0.223E-02 0.683E-02 RMM: 7 -0.331392898779E+03 -0.23735E-04 -0.72726E-05 3605 0.221E-02 0.996E-02 RMM: 8 -0.331392838286E+03 0.60493E-04 -0.78229E-05 3803 0.219E-02 0.403E-02 RMM: 9 -0.331392833314E+03 0.49721E-05 -0.20149E-05 2570 0.128E-02 7185 T= 7688. E= 0.67566642E+03 F= 0.62487616E+03 E0= 0.65332582E+03 EK= 0.62604E+02 SP= -.12E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331297577440E+03 0.95261E-01 -0.37835E-01 8968 0.255E+01 0.235E-01 RMM: 2 -0.331336668940E+03 -0.39091E-01 -0.36248E-01 6091 0.117E+00 0.785E-01 RMM: 3 -0.331328829428E+03 0.78395E-02 -0.19388E-02 5660 0.276E-01 0.189E-01 RMM: 4 -0.331328695712E+03 0.13372E-03 -0.14053E-03 5015 0.814E-02 0.224E-01 RMM: 5 -0.331328349844E+03 0.34587E-03 -0.24416E-04 3935 0.399E-02 0.875E-02 RMM: 6 -0.331328314335E+03 0.35509E-04 -0.62614E-05 3329 0.225E-02 0.598E-02 RMM: 7 -0.331328331912E+03 -0.17577E-04 -0.51984E-05 3125 0.196E-02 7186 T= 7665. E= 0.67566596E+03 F= 0.62494066E+03 E0= 0.65334853E+03 EK= 0.62417E+02 SP= -.12E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330841602453E+03 0.48671E+00 -0.42591E-01 8896 0.253E+01 0.239E-01 RMM: 2 -0.330882581979E+03 -0.40980E-01 -0.37843E-01 6032 0.120E+00 0.820E-01 RMM: 3 -0.330874603496E+03 0.79785E-02 -0.21285E-02 5850 0.284E-01 0.184E-01 RMM: 4 -0.330874255516E+03 0.34798E-03 -0.12027E-03 4963 0.739E-02 0.178E-01 RMM: 5 -0.330874067147E+03 0.18837E-03 -0.18356E-04 3956 0.348E-02 0.911E-02 RMM: 6 -0.330874052196E+03 0.14951E-04 -0.56714E-05 3257 0.213E-02 7187 T= 7588. E= 0.67566678E+03 F= 0.62539494E+03 E0= 0.65375822E+03 EK= 0.61791E+02 SP= -.12E+02 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330020039760E+03 0.85403E+00 -0.46403E-01 8752 0.251E+01 0.356E-01 RMM: 2 -0.330083328665E+03 -0.63289E-01 -0.39054E-01 6087 0.121E+00 0.193E+00 RMM: 3 -0.330053516846E+03 0.29812E-01 -0.23424E-02 5405 0.351E-01 0.295E-01 RMM: 4 -0.330052989455E+03 0.52739E-03 -0.24171E-03 5415 0.976E-02 0.172E-01 RMM: 5 -0.330052856136E+03 0.13332E-03 -0.27503E-04 4211 0.353E-02 0.119E-01 RMM: 6 -0.330052792102E+03 0.64034E-04 -0.59651E-05 3325 0.217E-02 0.784E-02 RMM: 7 -0.330052862917E+03 -0.70815E-04 -0.11172E-04 3875 0.274E-02 0.123E-01 RMM: 8 -0.330052780336E+03 0.82581E-04 -0.10632E-04 3878 0.244E-02 0.389E-02 RMM: 9 -0.330052776581E+03 0.37548E-05 -0.18009E-05 2589 0.119E-02 7188 T= 7460. E= 0.67566936E+03 F= 0.62621621E+03 E0= 0.65453546E+03 EK= 0.60753E+02 SP= -.11E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328881033499E+03 0.11717E+01 -0.50509E-01 8744 0.248E+01 0.402E-01 RMM: 2 -0.328951942366E+03 -0.70909E-01 -0.40243E-01 5959 0.123E+00 0.216E+00 RMM: 3 -0.328915199859E+03 0.36743E-01 -0.25658E-02 5412 0.369E-01 0.335E-01 RMM: 4 -0.328914632760E+03 0.56710E-03 -0.31117E-03 5437 0.117E-01 0.222E-01 RMM: 5 -0.328914469081E+03 0.16368E-03 -0.41760E-04 4056 0.457E-02 0.176E-01 RMM: 6 -0.328914273738E+03 0.19534E-03 -0.12527E-04 3852 0.305E-02 0.551E-02 RMM: 7 -0.328914327376E+03 -0.53638E-04 -0.83420E-05 3628 0.227E-02 0.102E-01 RMM: 8 -0.328914270367E+03 0.57009E-04 -0.70926E-05 3670 0.237E-02 0.266E-02 RMM: 9 -0.328914273017E+03 -0.26506E-05 -0.13639E-05 2497 0.106E-02 7189 T= 7290. E= 0.67567488E+03 F= 0.62735472E+03 E0= 0.65563358E+03 EK= 0.59363E+02 SP= -.11E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327511622566E+03 0.14026E+01 -0.53506E-01 8752 0.245E+01 0.275E-01 RMM: 2 -0.327559452296E+03 -0.47830E-01 -0.38779E-01 6283 0.122E+00 0.123E+00 RMM: 3 -0.327546309557E+03 0.13143E-01 -0.19667E-02 5569 0.298E-01 0.226E-01 RMM: 4 -0.327545980910E+03 0.32865E-03 -0.15837E-03 5120 0.847E-02 0.175E-01 RMM: 5 -0.327545798698E+03 0.18221E-03 -0.22856E-04 4031 0.357E-02 0.955E-02 RMM: 6 -0.327545759710E+03 0.38989E-04 -0.51160E-05 3197 0.205E-02 0.669E-02 RMM: 7 -0.327545802980E+03 -0.43270E-04 -0.80449E-05 3688 0.231E-02 0.102E-01 RMM: 8 -0.327545740546E+03 0.62434E-04 -0.63808E-05 3463 0.209E-02 0.309E-02 RMM: 9 -0.327545742558E+03 -0.20127E-05 -0.17508E-05 2514 0.119E-02 7190 T= 7088. E= 0.67568289E+03 F= 0.62872325E+03 E0= 0.65696828E+03 EK= 0.57719E+02 SP= -.11E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326041865745E+03 0.15039E+01 -0.53903E-01 8848 0.242E+01 0.246E-01 RMM: 2 -0.326083735845E+03 -0.41870E-01 -0.38079E-01 6246 0.123E+00 0.877E-01 RMM: 3 -0.326076216820E+03 0.75190E-02 -0.19015E-02 5778 0.276E-01 0.207E-01 RMM: 4 -0.326075909212E+03 0.30761E-03 -0.12717E-03 4978 0.790E-02 0.187E-01 RMM: 5 -0.326075684631E+03 0.22458E-03 -0.21956E-04 3999 0.365E-02 0.937E-02 RMM: 6 -0.326075654455E+03 0.30176E-04 -0.64206E-05 3368 0.228E-02 0.686E-02 RMM: 7 -0.326075692890E+03 -0.38435E-04 -0.77143E-05 3717 0.224E-02 0.101E-01 RMM: 8 -0.326075629159E+03 0.63732E-04 -0.47710E-05 3120 0.196E-02 0.265E-02 RMM: 9 -0.326075636073E+03 -0.69140E-05 -0.18822E-05 2508 0.125E-02 7191 T= 6872. E= 0.67569347E+03 F= 0.63019335E+03 E0= 0.65841393E+03 EK= 0.55961E+02 SP= -.11E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324639644840E+03 0.14360E+01 -0.53327E-01 8936 0.239E+01 0.247E-01 RMM: 2 -0.324683110129E+03 -0.43465E-01 -0.38759E-01 5971 0.128E+00 0.939E-01 RMM: 3 -0.324674697219E+03 0.84129E-02 -0.22832E-02 5914 0.290E-01 0.198E-01 RMM: 4 -0.324674270251E+03 0.42697E-03 -0.14325E-03 5074 0.847E-02 0.181E-01 RMM: 5 -0.324674074590E+03 0.19566E-03 -0.24201E-04 3953 0.379E-02 0.962E-02 RMM: 6 -0.324674041197E+03 0.33394E-04 -0.55949E-05 3267 0.211E-02 0.725E-02 RMM: 7 -0.324674078949E+03 -0.37753E-04 -0.91312E-05 3835 0.243E-02 0.103E-01 RMM: 8 -0.324674014894E+03 0.64055E-04 -0.50820E-05 3201 0.200E-02 0.277E-02 RMM: 9 -0.324674023543E+03 -0.86492E-05 -0.17501E-05 2522 0.119E-02 7192 T= 6664. E= 0.67570660E+03 F= 0.63159497E+03 E0= 0.65980049E+03 EK= 0.54267E+02 SP= -.10E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323509986619E+03 0.11640E+01 -0.47584E-01 8912 0.236E+01 0.246E-01 RMM: 2 -0.323548899829E+03 -0.38913E-01 -0.34960E-01 5975 0.122E+00 0.902E-01 RMM: 3 -0.323541463233E+03 0.74366E-02 -0.19259E-02 5733 0.279E-01 0.208E-01 RMM: 4 -0.323541130324E+03 0.33291E-03 -0.13215E-03 4949 0.779E-02 0.172E-01 RMM: 5 -0.323540942065E+03 0.18826E-03 -0.20787E-04 3951 0.350E-02 0.964E-02 RMM: 6 -0.323540911003E+03 0.31062E-04 -0.55695E-05 3231 0.212E-02 0.746E-02 RMM: 7 -0.323540943173E+03 -0.32170E-04 -0.85800E-05 3780 0.230E-02 0.104E-01 RMM: 8 -0.323540876409E+03 0.66764E-04 -0.52449E-05 3186 0.201E-02 0.319E-02 RMM: 9 -0.323540881533E+03 -0.51243E-05 -0.20991E-05 2534 0.132E-02 7193 T= 6489. E= 0.67571872E+03 F= 0.63272811E+03 E0= 0.66092905E+03 EK= 0.52843E+02 SP= -.10E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322833600723E+03 0.70728E+00 -0.38265E-01 8888 0.235E+01 0.243E-01 RMM: 2 -0.322869857345E+03 -0.36257E-01 -0.30089E-01 6100 0.113E+00 0.105E+00 RMM: 3 -0.322860653093E+03 0.92043E-02 -0.15696E-02 5642 0.261E-01 0.221E-01 RMM: 4 -0.322860310626E+03 0.34247E-03 -0.12876E-03 4923 0.773E-02 0.153E-01 RMM: 5 -0.322860174068E+03 0.13656E-03 -0.18870E-04 3930 0.331E-02 0.955E-02 RMM: 6 -0.322860138736E+03 0.35332E-04 -0.43040E-05 3076 0.190E-02 0.722E-02 RMM: 7 -0.322860164113E+03 -0.25377E-04 -0.85736E-05 3734 0.236E-02 0.990E-02 RMM: 8 -0.322860103329E+03 0.60784E-04 -0.51534E-05 3193 0.199E-02 0.304E-02 RMM: 9 -0.322860108331E+03 -0.50021E-05 -0.17391E-05 2515 0.118E-02 7194 T= 6370. E= 0.67572585E+03 F= 0.63340888E+03 E0= 0.66161376E+03 EK= 0.51874E+02 SP= -.97E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322718320691E+03 0.14178E+00 -0.29289E-01 8920 0.234E+01 0.225E-01 RMM: 2 -0.322748021607E+03 -0.29701E-01 -0.25190E-01 5993 0.103E+00 0.941E-01 RMM: 3 -0.322740524375E+03 0.74972E-02 -0.14102E-02 5684 0.244E-01 0.180E-01 RMM: 4 -0.322740267359E+03 0.25702E-03 -0.10491E-03 4819 0.694E-02 0.141E-01 RMM: 5 -0.322740134366E+03 0.13299E-03 -0.15726E-04 3966 0.297E-02 0.846E-02 RMM: 6 -0.322740108411E+03 0.25955E-04 -0.37946E-05 2999 0.182E-02 0.633E-02 RMM: 7 -0.322740121796E+03 -0.13385E-04 -0.46705E-05 3015 0.185E-02 7195 T= 6320. E= 0.67572558E+03 F= 0.63352887E+03 E0= 0.66174535E+03 EK= 0.51466E+02 SP= -.94E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323164962003E+03 -0.42485E+00 -0.23558E-01 8952 0.236E+01 0.191E-01 RMM: 2 -0.323188644665E+03 -0.23683E-01 -0.21322E-01 5663 0.954E-01 0.742E-01 RMM: 3 -0.323183371686E+03 0.52730E-02 -0.14042E-02 6042 0.227E-01 0.187E-01 RMM: 4 -0.323182998842E+03 0.37284E-03 -0.77910E-04 4805 0.607E-02 0.116E-01 RMM: 5 -0.323182910314E+03 0.88528E-04 -0.11044E-04 3843 0.265E-02 0.753E-02 RMM: 6 -0.323182912741E+03 -0.24273E-05 -0.44175E-05 3091 0.187E-02 7196 T= 6339. E= 0.67571945E+03 F= 0.63308608E+03 E0= 0.66132012E+03 EK= 0.51623E+02 SP= -.92E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324088412533E+03 -0.90550E+00 -0.19537E-01 9040 0.238E+01 0.310E-01 RMM: 2 -0.324124068027E+03 -0.35655E-01 -0.19871E-01 5246 0.974E-01 0.164E+00 RMM: 3 -0.324104723133E+03 0.19345E-01 -0.19216E-02 5564 0.296E-01 0.265E-01 RMM: 4 -0.324104152399E+03 0.57073E-03 -0.17278E-03 4955 0.835E-02 0.116E-01 RMM: 5 -0.324104092875E+03 0.59524E-04 -0.21406E-04 4099 0.335E-02 0.947E-02 RMM: 6 -0.324104050077E+03 0.42798E-04 -0.46921E-05 3120 0.198E-02 0.633E-02 RMM: 7 -0.324104071629E+03 -0.21551E-04 -0.41630E-05 3009 0.188E-02 0.872E-02 RMM: 8 -0.324104029568E+03 0.42060E-04 -0.48968E-05 2999 0.191E-02 0.438E-02 RMM: 9 -0.324104025582E+03 0.39864E-05 -0.26563E-05 2599 0.146E-02 7197 T= 6417. E= 0.67571065E+03 F= 0.63216496E+03 E0= 0.66041865E+03 EK= 0.52260E+02 SP= -.89E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325365602691E+03 -0.12616E+01 -0.16952E-01 8872 0.241E+01 0.305E-01 RMM: 2 -0.325396374546E+03 -0.30772E-01 -0.19208E-01 5151 0.971E-01 0.144E+00 RMM: 3 -0.325381504037E+03 0.14871E-01 -0.19379E-02 5625 0.293E-01 0.301E-01 RMM: 4 -0.325380849178E+03 0.65486E-03 -0.18631E-03 4919 0.918E-02 0.151E-01 RMM: 5 -0.325380717380E+03 0.13180E-03 -0.25794E-04 3920 0.377E-02 0.106E-01 RMM: 6 -0.325380655354E+03 0.62026E-04 -0.59291E-05 3324 0.220E-02 0.558E-02 RMM: 7 -0.325380662191E+03 -0.68375E-05 -0.30043E-05 2631 0.158E-02 7198 T= 6539. E= 0.67570200E+03 F= 0.63088833E+03 E0= 0.65916168E+03 EK= 0.53251E+02 SP= -.86E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326875806534E+03 -0.14952E+01 -0.14593E-01 8680 0.244E+01 0.252E-01 RMM: 2 -0.326901471060E+03 -0.25665E-01 -0.17037E-01 5295 0.906E-01 0.125E+00 RMM: 3 -0.326890043027E+03 0.11428E-01 -0.15784E-02 5740 0.257E-01 0.245E-01 RMM: 4 -0.326889520419E+03 0.52261E-03 -0.11534E-03 4906 0.699E-02 0.116E-01 RMM: 5 -0.326889454227E+03 0.66192E-04 -0.13791E-04 4270 0.284E-02 0.978E-02 RMM: 6 -0.326889432620E+03 0.21607E-04 -0.26432E-05 2569 0.152E-02 0.894E-02 RMM: 7 -0.326889413167E+03 0.19453E-04 -0.14165E-04 3909 0.266E-02 7199 T= 6688. E= 0.67569378E+03 F= 0.62937958E+03 E0= 0.65767061E+03 EK= 0.54467E+02 SP= -.83E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328499547006E+03 -0.16101E+01 -0.13556E-01 8504 0.247E+01 0.235E-01 RMM: 2 -0.328520717160E+03 -0.21170E-01 -0.15278E-01 5100 0.858E-01 0.106E+00 RMM: 3 -0.328512208063E+03 0.85091E-02 -0.14775E-02 5705 0.246E-01 0.196E-01 RMM: 4 -0.328511928647E+03 0.27942E-03 -0.11215E-03 4780 0.728E-02 0.157E-01 RMM: 5 -0.328511765807E+03 0.16284E-03 -0.17485E-04 3893 0.346E-02 0.805E-02 RMM: 6 -0.328511733174E+03 0.32633E-04 -0.43162E-05 3074 0.192E-02 0.550E-02 RMM: 7 -0.328511727346E+03 0.58279E-05 -0.29928E-05 2635 0.161E-02 7200 T= 6850. E= 0.67568439E+03 F= 0.62775726E+03 E0= 0.65606361E+03 EK= 0.55782E+02 SP= -.80E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330111334267E+03 -0.15996E+01 -0.13554E-01 8032 0.250E+01 0.196E-01 RMM: 2 -0.330130047541E+03 -0.18713E-01 -0.14793E-01 4996 0.863E-01 0.898E-01 RMM: 3 -0.330123975284E+03 0.60723E-02 -0.15293E-02 5917 0.236E-01 0.192E-01 RMM: 4 -0.330123562732E+03 0.41255E-03 -0.81276E-04 4841 0.625E-02 0.121E-01 RMM: 5 -0.330123451909E+03 0.11082E-03 -0.12149E-04 3842 0.305E-02 0.814E-02 RMM: 6 -0.330123431299E+03 0.20610E-04 -0.35136E-05 2824 0.169E-02 0.801E-02 RMM: 7 -0.330123383174E+03 0.48125E-04 -0.11006E-04 3903 0.252E-02 0.743E-02 RMM: 8 -0.330123345443E+03 0.37731E-04 -0.69993E-05 3538 0.207E-02 0.391E-02 RMM: 9 -0.330123354383E+03 -0.89402E-05 -0.33146E-05 2658 0.155E-02 7201 T= 7007. E= 0.67567446E+03 F= 0.62614563E+03 E0= 0.65446272E+03 EK= 0.57063E+02 SP= -.77E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331585128338E+03 -0.14618E+01 -0.13738E-01 7704 0.253E+01 0.181E-01 RMM: 2 -0.331600640130E+03 -0.15512E-01 -0.15355E-01 4804 0.894E-01 0.490E-01 RMM: 3 -0.331598420403E+03 0.22197E-02 -0.16162E-02 6211 0.228E-01 0.148E-01 RMM: 4 -0.331598193884E+03 0.22652E-03 -0.75193E-04 4713 0.681E-02 0.191E-01 RMM: 5 -0.331597946191E+03 0.24769E-03 -0.17407E-04 3893 0.376E-02 0.641E-02 RMM: 6 -0.331597924546E+03 0.21645E-04 -0.35699E-05 2884 0.175E-02 0.455E-02 RMM: 7 -0.331597909140E+03 0.15407E-04 -0.26963E-05 2575 0.159E-02 7202 T= 7144. E= 0.67566489E+03 F= 0.62467108E+03 E0= 0.65299310E+03 EK= 0.58181E+02 SP= -.74E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332808682241E+03 -0.12108E+01 -0.13663E-01 7864 0.255E+01 0.162E-01 RMM: 2 -0.332822885065E+03 -0.14203E-01 -0.12075E-01 4957 0.800E-01 0.690E-01 RMM: 3 -0.332819161746E+03 0.37233E-02 -0.12854E-02 6080 0.208E-01 0.165E-01 RMM: 4 -0.332818783738E+03 0.37801E-03 -0.53744E-04 4554 0.559E-02 0.955E-02 RMM: 5 -0.332818710109E+03 0.73629E-04 -0.80258E-05 3535 0.268E-02 0.714E-02 RMM: 6 -0.332818706540E+03 0.35696E-05 -0.35740E-05 2712 0.170E-02 7203 T= 7247. E= 0.67565743E+03 F= 0.62345028E+03 E0= 0.65177283E+03 EK= 0.59013E+02 SP= -.71E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333689484342E+03 -0.87077E+00 -0.13571E-01 7608 0.257E+01 0.251E-01 RMM: 2 -0.333711844019E+03 -0.22360E-01 -0.11808E-01 5003 0.779E-01 0.133E+00 RMM: 3 -0.333699059163E+03 0.12785E-01 -0.13419E-02 5448 0.256E-01 0.224E-01 RMM: 4 -0.333698736935E+03 0.32223E-03 -0.11866E-03 4885 0.677E-02 0.105E-01 RMM: 5 -0.333698655731E+03 0.81204E-04 -0.12683E-04 3881 0.305E-02 0.713E-02 RMM: 6 -0.333698632270E+03 0.23461E-04 -0.26305E-05 2561 0.151E-02 0.515E-02 RMM: 7 -0.333698637604E+03 -0.53345E-05 -0.32016E-05 2659 0.169E-02 7204 T= 7303. E= 0.67565341E+03 F= 0.62257035E+03 E0= 0.65089248E+03 EK= 0.59472E+02 SP= -.67E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334188622089E+03 -0.48999E+00 -0.13279E-01 7864 0.257E+01 0.280E-01 RMM: 2 -0.334209884765E+03 -0.21263E-01 -0.10588E-01 5085 0.769E-01 0.137E+00 RMM: 3 -0.334196876005E+03 0.13009E-01 -0.12382E-02 5470 0.253E-01 0.295E-01 RMM: 4 -0.334196280766E+03 0.59524E-03 -0.13870E-03 4738 0.807E-02 0.120E-01 RMM: 5 -0.334196218435E+03 0.62331E-04 -0.19514E-04 3880 0.366E-02 0.103E-01 RMM: 6 -0.334196149823E+03 0.68611E-04 -0.48249E-05 3176 0.209E-02 0.453E-02 RMM: 7 -0.334196151679E+03 -0.18558E-05 -0.22031E-05 2542 0.139E-02 7205 T= 7308. E= 0.67565244E+03 F= 0.62207284E+03 E0= 0.65039451E+03 EK= 0.59515E+02 SP= -.63E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334304091597E+03 -0.10794E+00 -0.12998E-01 7744 0.256E+01 0.198E-01 RMM: 2 -0.334319403876E+03 -0.15312E-01 -0.10720E-01 5101 0.741E-01 0.921E-01 RMM: 3 -0.334312925417E+03 0.64785E-02 -0.10980E-02 5644 0.213E-01 0.154E-01 RMM: 4 -0.334312724951E+03 0.20047E-03 -0.71234E-04 4847 0.552E-02 0.105E-01 RMM: 5 -0.334312650402E+03 0.74549E-04 -0.85980E-05 3704 0.250E-02 0.693E-02 RMM: 6 -0.334312628973E+03 0.21429E-04 -0.25090E-05 2575 0.152E-02 0.532E-02 RMM: 7 -0.334312637752E+03 -0.87789E-05 -0.45148E-05 2892 0.175E-02 7206 T= 7263. E= 0.67565389E+03 F= 0.62195635E+03 E0= 0.65028131E+03 EK= 0.59146E+02 SP= -.59E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334077470547E+03 0.23516E+00 -0.12287E-01 7672 0.254E+01 0.184E-01 RMM: 2 -0.334089143534E+03 -0.11673E-01 -0.93452E-02 5049 0.710E-01 0.741E-01 RMM: 3 -0.334085069800E+03 0.40737E-02 -0.94914E-03 5852 0.193E-01 0.158E-01 RMM: 4 -0.334084877576E+03 0.19222E-03 -0.62032E-04 4656 0.577E-02 0.132E-01 RMM: 5 -0.334084768044E+03 0.10953E-03 -0.10901E-04 3735 0.285E-02 0.689E-02 RMM: 6 -0.334084740205E+03 0.27839E-04 -0.26823E-05 2718 0.163E-02 0.326E-02 RMM: 7 -0.334084740795E+03 -0.59007E-06 -0.14947E-05 2497 0.117E-02 7207 T= 7172. E= 0.67565722E+03 F= 0.62218425E+03 E0= 0.65051581E+03 EK= 0.58407E+02 SP= -.54E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333565073117E+03 0.51967E+00 -0.12341E-01 7520 0.252E+01 0.150E-01 RMM: 2 -0.333575906650E+03 -0.10834E-01 -0.97584E-02 5135 0.705E-01 0.574E-01 RMM: 3 -0.333573131490E+03 0.27752E-02 -0.91751E-03 6066 0.176E-01 0.105E-01 RMM: 4 -0.333572954506E+03 0.17698E-03 -0.40496E-04 4346 0.469E-02 0.111E-01 RMM: 5 -0.333572871327E+03 0.83179E-04 -0.65870E-05 3373 0.251E-02 0.563E-02 RMM: 6 -0.333572858933E+03 0.12394E-04 -0.22166E-05 2530 0.137E-02 7208 T= 7044. E= 0.67566242E+03 F= 0.62269613E+03 E0= 0.65103941E+03 EK= 0.57366E+02 SP= -.49E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332846687179E+03 0.72618E+00 -0.11642E-01 7336 0.248E+01 0.225E-01 RMM: 2 -0.332862167711E+03 -0.15481E-01 -0.87659E-02 5130 0.692E-01 0.110E+00 RMM: 3 -0.332853589988E+03 0.85777E-02 -0.93702E-03 5566 0.211E-01 0.218E-01 RMM: 4 -0.332853239494E+03 0.35049E-03 -0.82452E-04 4677 0.612E-02 0.830E-02 RMM: 5 -0.332853213342E+03 0.26152E-04 -0.10659E-04 3784 0.258E-02 0.787E-02 RMM: 6 -0.332853178475E+03 0.34868E-04 -0.25616E-05 2660 0.157E-02 0.404E-02 RMM: 7 -0.332853184361E+03 -0.58861E-05 -0.19088E-05 2521 0.134E-02 7209 T= 6890. E= 0.67566877E+03 F= 0.62341580E+03 E0= 0.65177492E+03 EK= 0.56106E+02 SP= -.44E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332010193287E+03 0.84299E+00 -0.11460E-01 7392 0.245E+01 0.209E-01 RMM: 2 -0.332023284212E+03 -0.13091E-01 -0.88799E-02 5121 0.694E-01 0.917E-01 RMM: 3 -0.332017273412E+03 0.60108E-02 -0.93657E-03 5726 0.202E-01 0.184E-01 RMM: 4 -0.332017041264E+03 0.23215E-03 -0.76845E-04 4637 0.620E-02 0.125E-01 RMM: 5 -0.332016946326E+03 0.94938E-04 -0.11482E-04 3751 0.281E-02 0.783E-02 RMM: 6 -0.332016908879E+03 0.37447E-04 -0.26685E-05 2645 0.163E-02 0.378E-02 RMM: 7 -0.332016910637E+03 -0.17579E-05 -0.20014E-05 2527 0.130E-02 7210 T= 6720. E= 0.67567604E+03 F= 0.62425208E+03 E0= 0.65263014E+03 EK= 0.54727E+02 SP= -.39E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331161302731E+03 0.85561E+00 -0.11216E-01 7224 0.241E+01 0.217E-01 RMM: 2 -0.331176586883E+03 -0.15284E-01 -0.89854E-02 5126 0.704E-01 0.106E+00 RMM: 3 -0.331168610987E+03 0.79759E-02 -0.99340E-03 5649 0.210E-01 0.215E-01 RMM: 4 -0.331168245418E+03 0.36557E-03 -0.78374E-04 4680 0.605E-02 0.884E-02 RMM: 5 -0.331168203263E+03 0.42155E-04 -0.97727E-05 3734 0.253E-02 0.766E-02 RMM: 6 -0.331168173752E+03 0.29511E-04 -0.24825E-05 2614 0.155E-02 0.474E-02 RMM: 7 -0.331168178349E+03 -0.45971E-05 -0.24007E-05 2594 0.144E-02 7211 T= 6550. E= 0.67568411E+03 F= 0.62510081E+03 E0= 0.65349853E+03 EK= 0.53342E+02 SP= -.33E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330409484555E+03 0.75869E+00 -0.10853E-01 7472 0.237E+01 0.190E-01 RMM: 2 -0.330422244376E+03 -0.12760E-01 -0.93034E-02 4988 0.711E-01 0.831E-01 RMM: 3 -0.330417243082E+03 0.50013E-02 -0.10305E-02 5800 0.204E-01 0.172E-01 RMM: 4 -0.330416975949E+03 0.26713E-03 -0.64619E-04 4711 0.565E-02 0.101E-01 RMM: 5 -0.330416912467E+03 0.63481E-04 -0.88057E-05 3625 0.258E-02 0.642E-02 RMM: 6 -0.330416891890E+03 0.20577E-04 -0.23008E-05 2569 0.147E-02 0.410E-02 RMM: 7 -0.330416893838E+03 -0.19482E-05 -0.22789E-05 2576 0.140E-02 7212 T= 6393. E= 0.67569111E+03 F= 0.62585210E+03 E0= 0.65426918E+03 EK= 0.52065E+02 SP= -.28E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329848596343E+03 0.56830E+00 -0.10858E-01 7544 0.234E+01 0.167E-01 RMM: 2 -0.329861091523E+03 -0.12495E-01 -0.10027E-01 4888 0.741E-01 0.721E-01 RMM: 3 -0.329857304329E+03 0.37872E-02 -0.11523E-02 5850 0.207E-01 0.156E-01 RMM: 4 -0.329857023541E+03 0.28079E-03 -0.57068E-04 4715 0.541E-02 0.920E-02 RMM: 5 -0.329856971523E+03 0.52018E-04 -0.78336E-05 3534 0.258E-02 0.660E-02 RMM: 6 -0.329856951857E+03 0.19666E-04 -0.24731E-05 2565 0.154E-02 7213 T= 6262. E= 0.67569559E+03 F= 0.62641204E+03 E0= 0.65484557E+03 EK= 0.50992E+02 SP= -.23E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329533026812E+03 0.32394E+00 -0.10867E-01 7568 0.232E+01 0.229E-01 RMM: 2 -0.329551024941E+03 -0.17998E-01 -0.91625E-02 4925 0.710E-01 0.121E+00 RMM: 3 -0.329540506480E+03 0.10518E-01 -0.10803E-02 5447 0.232E-01 0.226E-01 RMM: 4 -0.329540127474E+03 0.37901E-03 -0.91055E-04 4724 0.632E-02 0.754E-02 RMM: 5 -0.329540097711E+03 0.29763E-04 -0.10054E-04 3908 0.264E-02 0.682E-02 RMM: 6 -0.329540078858E+03 0.18854E-04 -0.22755E-05 2561 0.141E-02 7214 T= 6162. E= 0.67569632E+03 F= 0.62672891E+03 E0= 0.65517464E+03 EK= 0.50177E+02 SP= -.17E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329453947740E+03 0.86150E-01 -0.10905E-01 7472 0.231E+01 0.320E-01 RMM: 2 -0.329485939588E+03 -0.31992E-01 -0.10046E-01 4930 0.753E-01 0.185E+00 RMM: 3 -0.329461802033E+03 0.24138E-01 -0.14836E-02 5380 0.292E-01 0.329E-01 RMM: 4 -0.329461016210E+03 0.78582E-03 -0.17085E-03 4852 0.858E-02 0.897E-02 RMM: 5 -0.329461001659E+03 0.14551E-04 -0.18662E-04 4012 0.318E-02 7215 T= 6093. E= 0.67569365E+03 F= 0.62680799E+03 E0= 0.65526067E+03 EK= 0.49615E+02 SP= -.12E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329552643875E+03 -0.91628E-01 -0.11137E-01 8000 0.230E+01 0.260E-01 RMM: 2 -0.329578423272E+03 -0.25779E-01 -0.10980E-01 5011 0.746E-01 0.151E+00 RMM: 3 -0.329561742794E+03 0.16680E-01 -0.13347E-02 5391 0.262E-01 0.269E-01 RMM: 4 -0.329561237099E+03 0.50569E-03 -0.13774E-03 4834 0.747E-02 0.992E-02 RMM: 5 -0.329561190925E+03 0.46174E-04 -0.14015E-04 4054 0.294E-02 0.869E-02 RMM: 6 -0.329561157898E+03 0.33027E-04 -0.27533E-05 2579 0.156E-02 0.652E-02 RMM: 7 -0.329561195549E+03 -0.37651E-04 -0.69166E-05 3480 0.218E-02 0.108E-01 RMM: 8 -0.329561124959E+03 0.70590E-04 -0.12491E-04 3889 0.269E-02 0.418E-02 RMM: 9 -0.329561116513E+03 0.84460E-05 -0.17809E-05 2552 0.120E-02 7216 T= 6048. E= 0.67568852E+03 F= 0.62670787E+03 E0= 0.65516248E+03 EK= 0.49249E+02 SP= -.74E+00 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329739526741E+03 -0.17840E+00 -0.11916E-01 7776 0.230E+01 0.250E-01 RMM: 2 -0.329756642559E+03 -0.17116E-01 -0.13240E-01 4787 0.825E-01 0.922E-01 RMM: 3 -0.329750460037E+03 0.61825E-02 -0.15320E-02 5877 0.238E-01 0.167E-01 RMM: 4 -0.329750487956E+03 -0.27920E-04 -0.11160E-03 4753 0.778E-02 0.256E-01 RMM: 5 -0.329750068873E+03 0.41908E-03 -0.25320E-04 3911 0.419E-02 0.867E-02 RMM: 6 -0.329750024616E+03 0.44257E-04 -0.56586E-05 3286 0.222E-02 0.354E-02 RMM: 7 -0.329750043296E+03 -0.18680E-04 -0.25288E-05 2600 0.151E-02 7217 T= 6016. E= 0.67568322E+03 F= 0.62651895E+03 E0= 0.65496886E+03 EK= 0.48991E+02 SP= -.27E+00 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329924454522E+03 -0.17443E+00 -0.12217E-01 8192 0.230E+01 0.181E-01 RMM: 2 -0.329942023381E+03 -0.17569E-01 -0.14187E-01 5006 0.829E-01 0.833E-01 RMM: 3 -0.329936790319E+03 0.52331E-02 -0.14948E-02 6063 0.225E-01 0.175E-01 RMM: 4 -0.329936369880E+03 0.42044E-03 -0.70039E-04 4759 0.605E-02 0.982E-02 RMM: 5 -0.329936305640E+03 0.64240E-04 -0.94302E-05 3733 0.258E-02 0.679E-02 RMM: 6 -0.329936291678E+03 0.13962E-04 -0.22153E-05 2545 0.139E-02 7218 T= 5987. E= 0.67567943E+03 F= 0.62633270E+03 E0= 0.65477163E+03 EK= 0.48751E+02 SP= 0.19E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330036357571E+03 -0.10005E+00 -0.13291E-01 8072 0.230E+01 0.245E-01 RMM: 2 -0.330062435896E+03 -0.26078E-01 -0.16565E-01 4871 0.902E-01 0.128E+00 RMM: 3 -0.330050632278E+03 0.11804E-01 -0.18515E-02 5631 0.274E-01 0.235E-01 RMM: 4 -0.330050104526E+03 0.52775E-03 -0.13095E-03 5133 0.721E-02 0.104E-01 RMM: 5 -0.330050042955E+03 0.61570E-04 -0.14131E-04 3929 0.309E-02 0.848E-02 RMM: 6 -0.330050017425E+03 0.25530E-04 -0.31127E-05 2665 0.163E-02 0.761E-02 RMM: 7 -0.330050051456E+03 -0.34031E-04 -0.82787E-05 3740 0.244E-02 0.111E-01 RMM: 8 -0.330049966269E+03 0.85187E-04 -0.12127E-04 3900 0.228E-02 0.403E-02 RMM: 9 -0.330049961771E+03 0.44982E-05 -0.22075E-05 2601 0.135E-02 7219 T= 5951. E= 0.67567760E+03 F= 0.62621903E+03 E0= 0.65464436E+03 EK= 0.48460E+02 SP= 0.63E+00 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330044413169E+03 0.55531E-02 -0.12337E-01 8352 0.230E+01 0.283E-01 RMM: 2 -0.330068004689E+03 -0.23592E-01 -0.14278E-01 5064 0.824E-01 0.128E+00 RMM: 3 -0.330055692280E+03 0.12312E-01 -0.14972E-02 5649 0.252E-01 0.201E-01 RMM: 4 -0.330055592897E+03 0.99382E-04 -0.15239E-03 4820 0.878E-02 0.228E-01 RMM: 5 -0.330055299096E+03 0.29380E-03 -0.28783E-04 3904 0.432E-02 0.114E-01 RMM: 6 -0.330055214239E+03 0.84857E-04 -0.67117E-05 3453 0.236E-02 0.387E-02 RMM: 7 -0.330055230182E+03 -0.15943E-04 -0.33384E-05 2798 0.166E-02 7220 T= 5905. E= 0.67567772E+03 F= 0.62621376E+03 E0= 0.65462282E+03 EK= 0.48085E+02 SP= 0.10E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329939237699E+03 0.11598E+00 -0.12373E-01 8688 0.229E+01 0.188E-01 RMM: 2 -0.329957370236E+03 -0.18133E-01 -0.12734E-01 5436 0.733E-01 0.998E-01 RMM: 3 -0.329949396802E+03 0.79734E-02 -0.10038E-02 5816 0.199E-01 0.180E-01 RMM: 4 -0.329949104920E+03 0.29188E-03 -0.71405E-04 4771 0.557E-02 0.867E-02 RMM: 5 -0.329949058567E+03 0.46353E-04 -0.83890E-05 3680 0.233E-02 0.712E-02 RMM: 6 -0.329949037358E+03 0.21209E-04 -0.22850E-05 2565 0.145E-02 0.576E-02 RMM: 7 -0.329949044867E+03 -0.75084E-05 -0.57805E-05 3309 0.203E-02 7221 T= 5848. E= 0.67567867E+03 F= 0.62631994E+03 E0= 0.65471498E+03 EK= 0.47624E+02 SP= 0.14E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329741600059E+03 0.20744E+00 -0.12523E-01 8664 0.227E+01 0.169E-01 RMM: 2 -0.329756258421E+03 -0.14658E-01 -0.12245E-01 5294 0.724E-01 0.730E-01 RMM: 3 -0.329751466952E+03 0.47915E-02 -0.99602E-03 6140 0.188E-01 0.136E-01 RMM: 4 -0.329751271359E+03 0.19559E-03 -0.57591E-04 4603 0.547E-02 0.121E-01 RMM: 5 -0.329751173603E+03 0.97757E-04 -0.89452E-05 3571 0.248E-02 0.651E-02 RMM: 6 -0.329751151502E+03 0.22101E-04 -0.20120E-05 2552 0.139E-02 0.377E-02 RMM: 7 -0.329751149531E+03 0.19712E-05 -0.19744E-05 2525 0.129E-02 7222 T= 5783. E= 0.67568026E+03 F= 0.62651784E+03 E0= 0.65490562E+03 EK= 0.47097E+02 SP= 0.18E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329481901034E+03 0.26925E+00 -0.12601E-01 8768 0.226E+01 0.164E-01 RMM: 2 -0.329496719574E+03 -0.14819E-01 -0.12448E-01 5287 0.734E-01 0.721E-01 RMM: 3 -0.329492082149E+03 0.46374E-02 -0.10161E-02 6177 0.189E-01 0.170E-01 RMM: 4 -0.329491762045E+03 0.32010E-03 -0.53352E-04 4535 0.522E-02 0.865E-02 RMM: 5 -0.329491709438E+03 0.52607E-04 -0.73783E-05 3457 0.229E-02 0.687E-02 RMM: 6 -0.329491688446E+03 0.20992E-04 -0.24132E-05 2575 0.152E-02 0.494E-02 RMM: 7 -0.329491688492E+03 -0.45897E-07 -0.36810E-05 2698 0.164E-02 7223 T= 5715. E= 0.67568115E+03 F= 0.62677730E+03 E0= 0.65516715E+03 EK= 0.46536E+02 SP= 0.22E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329186279845E+03 0.30541E+00 -0.12052E-01 8432 0.225E+01 0.159E-01 RMM: 2 -0.329200181948E+03 -0.13902E-01 -0.12354E-01 5067 0.755E-01 0.625E-01 RMM: 3 -0.329196658314E+03 0.35236E-02 -0.11624E-02 6206 0.200E-01 0.135E-01 RMM: 4 -0.329196411860E+03 0.24645E-03 -0.52853E-04 4587 0.523E-02 0.107E-01 RMM: 5 -0.329196331544E+03 0.80315E-04 -0.73803E-05 3438 0.241E-02 0.569E-02 RMM: 6 -0.329196319551E+03 0.11993E-04 -0.21387E-05 2539 0.140E-02 7224 T= 5645. E= 0.67568180E+03 F= 0.62707267E+03 E0= 0.65547655E+03 EK= 0.45968E+02 SP= 0.25E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328870798421E+03 0.32553E+00 -0.11826E-01 8008 0.224E+01 0.211E-01 RMM: 2 -0.328892330695E+03 -0.21532E-01 -0.14076E-01 4882 0.831E-01 0.111E+00 RMM: 3 -0.328883041909E+03 0.92888E-02 -0.15566E-02 5726 0.245E-01 0.221E-01 RMM: 4 -0.328882535702E+03 0.50621E-03 -0.97457E-04 4900 0.658E-02 0.855E-02 RMM: 5 -0.328882491383E+03 0.44319E-04 -0.11203E-04 4002 0.265E-02 0.718E-02 RMM: 6 -0.328882469811E+03 0.21572E-04 -0.22723E-05 2558 0.138E-02 0.632E-02 RMM: 7 -0.328882479213E+03 -0.94016E-05 -0.43092E-05 3034 0.184E-02 7225 T= 5577. E= 0.67568236E+03 F= 0.62738651E+03 E0= 0.65581675E+03 EK= 0.45414E+02 SP= 0.27E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328552673656E+03 0.32980E+00 -0.11026E-01 7848 0.224E+01 0.230E-01 RMM: 2 -0.328573982251E+03 -0.21309E-01 -0.12696E-01 4820 0.816E-01 0.121E+00 RMM: 3 -0.328563400978E+03 0.10581E-01 -0.14491E-02 5610 0.246E-01 0.222E-01 RMM: 4 -0.328563004019E+03 0.39696E-03 -0.12040E-03 4805 0.754E-02 0.115E-01 RMM: 5 -0.328562994195E+03 0.98238E-05 -0.18146E-04 3893 0.337E-02 7226 T= 5512. E= 0.67568403E+03 F= 0.62770600E+03 E0= 0.65617438E+03 EK= 0.44888E+02 SP= 0.30E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328243417184E+03 0.31959E+00 -0.11334E-01 7888 0.223E+01 0.184E-01 RMM: 2 -0.328262756009E+03 -0.19339E-01 -0.13729E-01 4939 0.831E-01 0.994E-01 RMM: 3 -0.328255451208E+03 0.73048E-02 -0.14936E-02 5771 0.234E-01 0.188E-01 RMM: 4 -0.328255044147E+03 0.40706E-03 -0.80527E-04 5040 0.600E-02 0.940E-02 RMM: 5 -0.328254988115E+03 0.56031E-04 -0.92240E-05 3806 0.261E-02 0.778E-02 RMM: 6 -0.328254968779E+03 0.19337E-04 -0.25942E-05 2572 0.150E-02 7227 T= 5453. E= 0.67568703E+03 F= 0.62801402E+03 E0= 0.65652816E+03 EK= 0.44409E+02 SP= 0.32E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327981013837E+03 0.27397E+00 -0.10192E-01 7808 0.223E+01 0.293E-01 RMM: 2 -0.328012173008E+03 -0.31159E-01 -0.97096E-02 4806 0.733E-01 0.183E+00 RMM: 3 -0.327988628864E+03 0.23544E-01 -0.14107E-02 5371 0.281E-01 0.246E-01 RMM: 4 -0.327988213460E+03 0.41540E-03 -0.15173E-03 4999 0.735E-02 0.973E-02 RMM: 5 -0.327988168334E+03 0.45126E-04 -0.14649E-04 3845 0.317E-02 0.920E-02 RMM: 6 -0.327988122885E+03 0.45449E-04 -0.38365E-05 2920 0.183E-02 0.606E-02 RMM: 7 -0.327988138573E+03 -0.15688E-04 -0.44354E-05 3113 0.200E-02 7228 T= 5404. E= 0.67568959E+03 F= 0.62828085E+03 E0= 0.65684563E+03 EK= 0.44006E+02 SP= 0.34E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327794614988E+03 0.19351E+00 -0.10146E-01 7792 0.222E+01 0.474E-01 RMM: 2 -0.327846845926E+03 -0.52231E-01 -0.10964E-01 4892 0.835E-01 0.256E+00 RMM: 3 -0.327801959564E+03 0.44886E-01 -0.23190E-02 5374 0.383E-01 0.476E-01 RMM: 4 -0.327800289213E+03 0.16704E-02 -0.30615E-03 5322 0.117E-01 0.155E-01 RMM: 5 -0.327800417906E+03 -0.12869E-03 -0.51595E-04 4156 0.517E-02 0.205E-01 RMM: 6 -0.327800147455E+03 0.27045E-03 -0.14960E-04 3876 0.342E-02 0.758E-02 RMM: 7 -0.327800109124E+03 0.38331E-04 -0.29757E-05 2863 0.162E-02 0.248E-02 RMM: 8 -0.327800120153E+03 -0.11029E-04 -0.16266E-05 2506 0.122E-02 7229 T= 5369. E= 0.67569215E+03 F= 0.62846887E+03 E0= 0.65708519E+03 EK= 0.43718E+02 SP= 0.35E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327720541397E+03 0.79568E-01 -0.10075E-01 7600 0.221E+01 0.216E-01 RMM: 2 -0.327738138781E+03 -0.17597E-01 -0.82767E-02 4884 0.679E-01 0.123E+00 RMM: 3 -0.327727371312E+03 0.10767E-01 -0.10313E-02 5396 0.230E-01 0.202E-01 RMM: 4 -0.327727098474E+03 0.27284E-03 -0.94845E-04 4726 0.621E-02 0.974E-02 RMM: 5 -0.327727048588E+03 0.49886E-04 -0.11743E-04 3853 0.291E-02 0.761E-02 RMM: 6 -0.327727009563E+03 0.39025E-04 -0.28290E-05 2623 0.160E-02 0.405E-02 RMM: 7 -0.327727009002E+03 0.56089E-06 -0.17826E-05 2505 0.132E-02 7230 T= 5352. E= 0.67569366E+03 F= 0.62854198E+03 E0= 0.65720659E+03 EK= 0.43580E+02 SP= 0.36E+01 SK= 0.69E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327784639682E+03 -0.57630E-01 -0.98954E-02 7776 0.220E+01 0.159E-01 RMM: 2 -0.327794392154E+03 -0.97525E-02 -0.66702E-02 4953 0.617E-01 0.775E-01 RMM: 3 -0.327790183210E+03 0.42089E-02 -0.73590E-03 5592 0.176E-01 0.156E-01 RMM: 4 -0.327789979960E+03 0.20325E-03 -0.49778E-04 4586 0.493E-02 0.727E-02 RMM: 5 -0.327789966659E+03 0.13301E-04 -0.75131E-05 3499 0.244E-02 7231 T= 5356. E= 0.67569445E+03 F= 0.62847902E+03 E0= 0.65718414E+03 EK= 0.43614E+02 SP= 0.36E+01 SK= 0.44E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327980078938E+03 -0.19010E+00 -0.10558E-01 7768 0.219E+01 0.150E-01 RMM: 2 -0.327991326579E+03 -0.11248E-01 -0.95676E-02 4814 0.729E-01 0.636E-01 RMM: 3 -0.327988430588E+03 0.28960E-02 -0.11238E-02 6004 0.194E-01 0.126E-01 RMM: 4 -0.327988176868E+03 0.25372E-03 -0.48625E-04 4859 0.499E-02 0.909E-02 RMM: 5 -0.327988118438E+03 0.58431E-04 -0.60119E-05 3236 0.236E-02 0.602E-02 RMM: 6 -0.327988111314E+03 0.71241E-05 -0.25163E-05 2538 0.150E-02 7232 T= 5381. E= 0.67569437E+03 F= 0.62828088E+03 E0= 0.65701740E+03 EK= 0.43818E+02 SP= 0.36E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328297111991E+03 -0.30899E+00 -0.10743E-01 7664 0.219E+01 0.240E-01 RMM: 2 -0.328318837322E+03 -0.21725E-01 -0.10326E-01 4869 0.738E-01 0.136E+00 RMM: 3 -0.328305560596E+03 0.13277E-01 -0.12576E-02 5448 0.245E-01 0.239E-01 RMM: 4 -0.328305145510E+03 0.41509E-03 -0.11772E-03 4805 0.696E-02 0.833E-02 RMM: 5 -0.328305133218E+03 0.12291E-04 -0.13953E-04 3930 0.285E-02 7233 T= 5425. E= 0.67569395E+03 F= 0.62796386E+03 E0= 0.65672011E+03 EK= 0.44176E+02 SP= 0.35E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328712572861E+03 -0.40743E+00 -0.11164E-01 8152 0.219E+01 0.283E-01 RMM: 2 -0.328740755945E+03 -0.28183E-01 -0.10600E-01 5092 0.718E-01 0.167E+00 RMM: 3 -0.328721147460E+03 0.19608E-01 -0.12791E-02 5397 0.257E-01 0.315E-01 RMM: 4 -0.328720439461E+03 0.70800E-03 -0.15439E-03 4743 0.819E-02 0.114E-01 RMM: 5 -0.328720382636E+03 0.56824E-04 -0.17917E-04 4121 0.305E-02 0.964E-02 RMM: 6 -0.328720333786E+03 0.48850E-04 -0.31306E-05 2710 0.172E-02 0.682E-02 RMM: 7 -0.328720363363E+03 -0.29577E-04 -0.62986E-05 3387 0.208E-02 0.108E-01 RMM: 8 -0.328720292485E+03 0.70879E-04 -0.16114E-04 3887 0.296E-02 0.457E-02 RMM: 9 -0.328720283393E+03 0.90913E-05 -0.26370E-05 2629 0.140E-02 7234 T= 5485. E= 0.67569378E+03 F= 0.62754871E+03 E0= 0.65631417E+03 EK= 0.44667E+02 SP= 0.35E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329208517075E+03 -0.48822E+00 -0.11425E-01 7984 0.219E+01 0.232E-01 RMM: 2 -0.329225154616E+03 -0.16638E-01 -0.12279E-01 4901 0.753E-01 0.937E-01 RMM: 3 -0.329218338103E+03 0.68165E-02 -0.12243E-02 5781 0.217E-01 0.185E-01 RMM: 4 -0.329218325755E+03 0.12349E-04 -0.10909E-03 4712 0.756E-02 0.228E-01 RMM: 5 -0.329218003858E+03 0.32190E-03 -0.21741E-04 3890 0.371E-02 0.910E-02 RMM: 6 -0.329217952776E+03 0.51082E-04 -0.48589E-05 3193 0.210E-02 0.320E-02 RMM: 7 -0.329217958076E+03 -0.53000E-05 -0.19409E-05 2534 0.132E-02 7235 T= 5560. E= 0.67569313E+03 F= 0.62705103E+03 E0= 0.65581470E+03 EK= 0.45275E+02 SP= 0.33E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329779478318E+03 -0.56153E+00 -0.11968E-01 8616 0.219E+01 0.147E-01 RMM: 2 -0.329794507815E+03 -0.15029E-01 -0.12393E-01 5262 0.718E-01 0.726E-01 RMM: 3 -0.329789774052E+03 0.47338E-02 -0.10901E-02 6009 0.199E-01 0.159E-01 RMM: 4 -0.329789513042E+03 0.26101E-03 -0.59704E-04 4531 0.519E-02 0.842E-02 RMM: 5 -0.329789460789E+03 0.52253E-04 -0.69276E-05 3379 0.220E-02 0.631E-02 RMM: 6 -0.329789451533E+03 0.92561E-05 -0.20780E-05 2541 0.137E-02 7236 T= 5647. E= 0.67569209E+03 F= 0.62647954E+03 E0= 0.65523247E+03 EK= 0.45988E+02 SP= 0.32E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330415027279E+03 -0.62557E+00 -0.13301E-01 8432 0.220E+01 0.280E-01 RMM: 2 -0.330444272032E+03 -0.29245E-01 -0.15296E-01 4988 0.836E-01 0.152E+00 RMM: 3 -0.330427533728E+03 0.16738E-01 -0.17467E-02 5474 0.285E-01 0.286E-01 RMM: 4 -0.330426907481E+03 0.62625E-03 -0.16193E-03 5066 0.784E-02 0.976E-02 RMM: 5 -0.330426858265E+03 0.49216E-04 -0.16496E-04 3922 0.304E-02 0.851E-02 RMM: 6 -0.330426823245E+03 0.35020E-04 -0.27376E-05 2615 0.153E-02 0.661E-02 RMM: 7 -0.330426841671E+03 -0.18426E-04 -0.43413E-05 3123 0.191E-02 7237 T= 5747. E= 0.67569029E+03 F= 0.62584215E+03 E0= 0.65457850E+03 EK= 0.46798E+02 SP= 0.30E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331105161705E+03 -0.67834E+00 -0.13760E-01 8792 0.221E+01 0.292E-01 RMM: 2 -0.331135481329E+03 -0.30320E-01 -0.15425E-01 5185 0.796E-01 0.157E+00 RMM: 3 -0.331117333363E+03 0.18148E-01 -0.16132E-02 5429 0.279E-01 0.279E-01 RMM: 4 -0.331116904912E+03 0.42845E-03 -0.17835E-03 4840 0.877E-02 0.161E-01 RMM: 5 -0.331116862793E+03 0.42119E-04 -0.27907E-04 3897 0.414E-02 0.149E-01 RMM: 6 -0.331116708664E+03 0.15413E-03 -0.92195E-05 3619 0.280E-02 0.369E-02 RMM: 7 -0.331116710055E+03 -0.13907E-05 -0.21996E-05 2579 0.139E-02 7238 T= 5856. E= 0.67568809E+03 F= 0.62515228E+03 E0= 0.65386763E+03 EK= 0.47689E+02 SP= 0.27E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331818444233E+03 -0.70174E+00 -0.16247E-01 8784 0.222E+01 0.246E-01 RMM: 2 -0.331848731416E+03 -0.30287E-01 -0.19637E-01 5043 0.919E-01 0.135E+00 RMM: 3 -0.331835224719E+03 0.13507E-01 -0.19782E-02 5691 0.279E-01 0.249E-01 RMM: 4 -0.331834650932E+03 0.57379E-03 -0.14404E-03 4906 0.783E-02 0.102E-01 RMM: 5 -0.331834602021E+03 0.48911E-04 -0.18966E-04 3995 0.320E-02 0.894E-02 RMM: 6 -0.331834553388E+03 0.48633E-04 -0.36250E-05 2908 0.178E-02 0.559E-02 RMM: 7 -0.331834561599E+03 -0.82108E-05 -0.34248E-05 2735 0.173E-02 7239 T= 5972. E= 0.67568482E+03 F= 0.62443443E+03 E0= 0.65312633E+03 EK= 0.48633E+02 SP= 0.25E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332529738005E+03 -0.69518E+00 -0.17151E-01 9096 0.224E+01 0.204E-01 RMM: 2 -0.332554328169E+03 -0.24590E-01 -0.19943E-01 5256 0.892E-01 0.934E-01 RMM: 3 -0.332546504759E+03 0.78234E-02 -0.16528E-02 5960 0.243E-01 0.195E-01 RMM: 4 -0.332546109159E+03 0.39560E-03 -0.10307E-03 4833 0.676E-02 0.109E-01 RMM: 5 -0.332546044769E+03 0.64390E-04 -0.13850E-04 3879 0.282E-02 0.818E-02 RMM: 6 -0.332546007806E+03 0.36963E-04 -0.30525E-05 2790 0.167E-02 0.444E-02 RMM: 7 -0.332546013737E+03 -0.59311E-05 -0.23803E-05 2579 0.148E-02 7240 T= 6090. E= 0.67568085E+03 F= 0.62372298E+03 E0= 0.65239110E+03 EK= 0.49593E+02 SP= 0.22E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333192081809E+03 -0.64607E+00 -0.20287E-01 8896 0.226E+01 0.200E-01 RMM: 2 -0.333219526616E+03 -0.27445E-01 -0.24054E-01 5211 0.101E+00 0.822E-01 RMM: 3 -0.333213072264E+03 0.64544E-02 -0.19877E-02 6070 0.258E-01 0.175E-01 RMM: 4 -0.333212658592E+03 0.41367E-03 -0.10841E-03 4843 0.729E-02 0.143E-01 RMM: 5 -0.333212542701E+03 0.11589E-03 -0.17101E-04 3886 0.327E-02 0.838E-02 RMM: 6 -0.333212503411E+03 0.39290E-04 -0.37379E-05 2994 0.182E-02 0.448E-02 RMM: 7 -0.333212507419E+03 -0.40079E-05 -0.24669E-05 2595 0.148E-02 7241 T= 6205. E= 0.67567692E+03 F= 0.62305648E+03 E0= 0.65170127E+03 EK= 0.50528E+02 SP= 0.19E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333773096348E+03 -0.56059E+00 -0.20362E-01 8952 0.228E+01 0.203E-01 RMM: 2 -0.333800334546E+03 -0.27238E-01 -0.23224E-01 5510 0.955E-01 0.879E-01 RMM: 3 -0.333792936316E+03 0.73982E-02 -0.16565E-02 5915 0.241E-01 0.192E-01 RMM: 4 -0.333792557075E+03 0.37924E-03 -0.10154E-03 4894 0.675E-02 0.118E-01 RMM: 5 -0.333792475646E+03 0.81428E-04 -0.14651E-04 3856 0.293E-02 0.815E-02 RMM: 6 -0.333792443464E+03 0.32182E-04 -0.35764E-05 2956 0.179E-02 0.520E-02 RMM: 7 -0.333792456233E+03 -0.12769E-04 -0.37458E-05 2778 0.173E-02 7242 T= 6311. E= 0.67567313E+03 F= 0.62247653E+03 E0= 0.65109818E+03 EK= 0.51392E+02 SP= 0.16E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334228595645E+03 -0.43615E+00 -0.21697E-01 8952 0.229E+01 0.198E-01 RMM: 2 -0.334254278881E+03 -0.25683E-01 -0.23000E-01 5591 0.947E-01 0.752E-01 RMM: 3 -0.334248249224E+03 0.60297E-02 -0.15618E-02 6002 0.233E-01 0.157E-01 RMM: 4 -0.334248022119E+03 0.22710E-03 -0.97444E-04 4832 0.660E-02 0.153E-01 RMM: 5 -0.334247881011E+03 0.14111E-03 -0.16401E-04 3882 0.315E-02 0.767E-02 RMM: 6 -0.334247851062E+03 0.29949E-04 -0.36205E-05 2983 0.179E-02 0.446E-02 RMM: 7 -0.334247858373E+03 -0.73115E-05 -0.27831E-05 2607 0.156E-02 7243 T= 6403. E= 0.67567007E+03 F= 0.62202113E+03 E0= 0.65061993E+03 EK= 0.52144E+02 SP= 0.13E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334531172599E+03 -0.28332E+00 -0.22140E-01 9032 0.231E+01 0.192E-01 RMM: 2 -0.334557930841E+03 -0.26758E-01 -0.23409E-01 5615 0.946E-01 0.812E-01 RMM: 3 -0.334551028952E+03 0.69019E-02 -0.14523E-02 5914 0.230E-01 0.179E-01 RMM: 4 -0.334550685925E+03 0.34303E-03 -0.93367E-04 4846 0.662E-02 0.124E-01 RMM: 5 -0.334550594987E+03 0.90937E-04 -0.13972E-04 3873 0.298E-02 0.777E-02 RMM: 6 -0.334550567197E+03 0.27790E-04 -0.35165E-05 2963 0.177E-02 0.507E-02 RMM: 7 -0.334550579971E+03 -0.12774E-04 -0.34493E-05 2671 0.166E-02 7244 T= 6478. E= 0.67566687E+03 F= 0.62171841E+03 E0= 0.65029266E+03 EK= 0.52751E+02 SP= 0.10E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334659216947E+03 -0.10865E+00 -0.21865E-01 9016 0.233E+01 0.192E-01 RMM: 2 -0.334684910933E+03 -0.25694E-01 -0.22703E-01 5754 0.933E-01 0.771E-01 RMM: 3 -0.334678428281E+03 0.64827E-02 -0.13428E-02 5862 0.226E-01 0.168E-01 RMM: 4 -0.334678168008E+03 0.26027E-03 -0.86917E-04 4865 0.634E-02 0.132E-01 RMM: 5 -0.334678062293E+03 0.10571E-03 -0.12762E-04 3839 0.291E-02 0.729E-02 RMM: 6 -0.334678037820E+03 0.24473E-04 -0.32331E-05 2918 0.171E-02 0.461E-02 RMM: 7 -0.334678048883E+03 -0.11063E-04 -0.31851E-05 2634 0.163E-02 7245 T= 6531. E= 0.67566436E+03 F= 0.62159094E+03 E0= 0.65013844E+03 EK= 0.53187E+02 SP= 0.69E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334596185318E+03 0.81853E-01 -0.21862E-01 9088 0.234E+01 0.180E-01 RMM: 2 -0.334621712931E+03 -0.25528E-01 -0.22901E-01 5612 0.974E-01 0.731E-01 RMM: 3 -0.334616225238E+03 0.54877E-02 -0.14669E-02 5904 0.232E-01 0.161E-01 RMM: 4 -0.334615922171E+03 0.30307E-03 -0.84406E-04 4805 0.654E-02 0.133E-01 RMM: 5 -0.334615812756E+03 0.10941E-03 -0.13648E-04 3885 0.310E-02 0.699E-02 RMM: 6 -0.334615791926E+03 0.20831E-04 -0.33134E-05 2895 0.173E-02 0.496E-02 RMM: 7 -0.334615798847E+03 -0.69212E-05 -0.37177E-05 2669 0.173E-02 7246 T= 6562. E= 0.67566210E+03 F= 0.62165319E+03 E0= 0.65017106E+03 EK= 0.53435E+02 SP= 0.38E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334338373189E+03 0.27742E+00 -0.19238E-01 9024 0.235E+01 0.173E-01 RMM: 2 -0.334361634382E+03 -0.23261E-01 -0.21061E-01 5703 0.914E-01 0.685E-01 RMM: 3 -0.334356223452E+03 0.54109E-02 -0.13254E-02 5783 0.226E-01 0.156E-01 RMM: 4 -0.334355979462E+03 0.24399E-03 -0.82464E-04 4875 0.612E-02 0.127E-01 RMM: 5 -0.334355868556E+03 0.11091E-03 -0.11085E-04 3750 0.281E-02 0.670E-02 RMM: 6 -0.334355851880E+03 0.16676E-04 -0.29501E-05 2766 0.164E-02 7247 T= 6568. E= 0.67566116E+03 F= 0.62191314E+03 E0= 0.65039927E+03 EK= 0.53485E+02 SP= 0.75E-01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333889262501E+03 0.46661E+00 -0.18124E-01 8800 0.237E+01 0.214E-01 RMM: 2 -0.333918754663E+03 -0.29492E-01 -0.20814E-01 5559 0.929E-01 0.119E+00 RMM: 3 -0.333906774330E+03 0.11980E-01 -0.15544E-02 5554 0.260E-01 0.201E-01 RMM: 4 -0.333906404111E+03 0.37022E-03 -0.11416E-03 4978 0.691E-02 0.104E-01 RMM: 5 -0.333906334437E+03 0.69674E-04 -0.12316E-04 4157 0.277E-02 0.768E-02 RMM: 6 -0.333906314849E+03 0.19588E-04 -0.28859E-05 2671 0.162E-02 7248 T= 6551. E= 0.67566197E+03 F= 0.62236267E+03 E0= 0.65081593E+03 EK= 0.53344E+02 SP= -.23E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333287406994E+03 0.61893E+00 -0.17443E-01 8616 0.238E+01 0.379E-01 RMM: 2 -0.333341373942E+03 -0.53967E-01 -0.21078E-01 5048 0.991E-01 0.227E+00 RMM: 3 -0.333304149388E+03 0.37225E-01 -0.24356E-02 5397 0.360E-01 0.366E-01 RMM: 4 -0.333303145301E+03 0.10041E-02 -0.27121E-03 5399 0.102E-01 0.109E-01 RMM: 5 -0.333303078384E+03 0.66917E-04 -0.26537E-04 4617 0.306E-02 0.102E-01 RMM: 6 -0.333303022053E+03 0.56331E-04 -0.34735E-05 2916 0.179E-02 0.696E-02 RMM: 7 -0.333303063970E+03 -0.41917E-04 -0.62930E-05 3408 0.203E-02 0.116E-01 RMM: 8 -0.333302970650E+03 0.93321E-04 -0.13273E-04 3888 0.249E-02 0.406E-02 RMM: 9 -0.333302966929E+03 0.37204E-05 -0.23979E-05 2637 0.132E-02 7249 T= 6514. E= 0.67566593E+03 F= 0.62296602E+03 E0= 0.65138649E+03 EK= 0.53049E+02 SP= -.53E+00 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332609006573E+03 0.69396E+00 -0.17150E-01 8472 0.238E+01 0.336E-01 RMM: 2 -0.332650432096E+03 -0.41426E-01 -0.20865E-01 5238 0.960E-01 0.181E+00 RMM: 3 -0.332625840076E+03 0.24592E-01 -0.20154E-02 5393 0.322E-01 0.317E-01 RMM: 4 -0.332625306947E+03 0.53313E-03 -0.25280E-03 5294 0.107E-01 0.195E-01 RMM: 5 -0.332625192484E+03 0.11446E-03 -0.33362E-04 3950 0.426E-02 0.155E-01 RMM: 6 -0.332625032394E+03 0.16009E-03 -0.89688E-05 3612 0.269E-02 0.447E-02 RMM: 7 -0.332625038485E+03 -0.60911E-05 -0.26161E-05 2670 0.146E-02 7250 T= 6469. E= 0.67567402E+03 F= 0.62364395E+03 E0= 0.65203379E+03 EK= 0.52681E+02 SP= -.84E+00 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331987481524E+03 0.63755E+00 -0.16804E-01 8528 0.238E+01 0.242E-01 RMM: 2 -0.332017719483E+03 -0.30238E-01 -0.19280E-01 5253 0.954E-01 0.133E+00 RMM: 3 -0.332003811430E+03 0.13908E-01 -0.17685E-02 5549 0.276E-01 0.259E-01 RMM: 4 -0.332003266607E+03 0.54482E-03 -0.13402E-03 5075 0.748E-02 0.981E-02 RMM: 5 -0.332003209013E+03 0.57593E-04 -0.13419E-04 4294 0.281E-02 0.857E-02 RMM: 6 -0.332003185495E+03 0.23519E-04 -0.27311E-05 2617 0.157E-02 0.766E-02 RMM: 7 -0.332003207942E+03 -0.22447E-04 -0.91409E-05 3773 0.237E-02 0.113E-01 RMM: 8 -0.332003120095E+03 0.87847E-04 -0.10464E-04 3882 0.238E-02 0.338E-02 RMM: 9 -0.332003116184E+03 0.39105E-05 -0.17875E-05 2558 0.119E-02 7251 T= 6431. E= 0.67568505E+03 F= 0.62426587E+03 E0= 0.65262800E+03 EK= 0.52371E+02 SP= -.11E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331588208008E+03 0.41491E+00 -0.14740E-01 8208 0.237E+01 0.245E-01 RMM: 2 -0.331612547022E+03 -0.24339E-01 -0.17221E-01 5005 0.938E-01 0.112E+00 RMM: 3 -0.331602946103E+03 0.96009E-02 -0.17916E-02 5758 0.265E-01 0.211E-01 RMM: 4 -0.331602554153E+03 0.39195E-03 -0.12503E-03 4881 0.792E-02 0.153E-01 RMM: 5 -0.331602420436E+03 0.13372E-03 -0.17863E-04 3916 0.332E-02 0.974E-02 RMM: 6 -0.331602360535E+03 0.59901E-04 -0.39332E-05 3012 0.191E-02 0.453E-02 RMM: 7 -0.331602358583E+03 0.19519E-05 -0.21988E-05 2544 0.142E-02 7252 T= 6420. E= 0.67569447E+03 F= 0.62466663E+03 E0= 0.65300526E+03 EK= 0.52283E+02 SP= -.14E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331554257802E+03 0.48103E-01 -0.13311E-01 8112 0.238E+01 0.200E-01 RMM: 2 -0.331570804170E+03 -0.16546E-01 -0.12181E-01 5039 0.811E-01 0.905E-01 RMM: 3 -0.331564689198E+03 0.61150E-02 -0.12656E-02 5719 0.230E-01 0.206E-01 RMM: 4 -0.331564324839E+03 0.36436E-03 -0.77455E-04 4914 0.592E-02 0.818E-02 RMM: 5 -0.331564292470E+03 0.32369E-04 -0.86680E-05 3774 0.248E-02 0.699E-02 RMM: 6 -0.331564279054E+03 0.13417E-04 -0.22283E-05 2550 0.141E-02 7253 T= 6454. E= 0.67569842E+03 F= 0.62470471E+03 E0= 0.65302375E+03 EK= 0.52555E+02 SP= -.18E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331931798925E+03 -0.36751E+00 -0.13047E-01 7792 0.239E+01 0.283E-01 RMM: 2 -0.331958448362E+03 -0.26649E-01 -0.12957E-01 4829 0.853E-01 0.149E+00 RMM: 3 -0.331942669176E+03 0.15779E-01 -0.16559E-02 5418 0.292E-01 0.273E-01 RMM: 4 -0.331942147012E+03 0.52216E-03 -0.14987E-03 4861 0.779E-02 0.905E-02 RMM: 5 -0.331942118218E+03 0.28794E-04 -0.16803E-04 4076 0.317E-02 0.859E-02 RMM: 6 -0.331942079223E+03 0.38995E-04 -0.32451E-05 2778 0.170E-02 0.514E-02 RMM: 7 -0.331942090896E+03 -0.11673E-04 -0.28436E-05 2630 0.163E-02 7254 T= 6538. E= 0.67569437E+03 F= 0.62432690E+03 E0= 0.65263194E+03 EK= 0.53239E+02 SP= -.21E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332660787226E+03 -0.71871E+00 -0.12946E-01 8248 0.241E+01 0.319E-01 RMM: 2 -0.332689651752E+03 -0.28865E-01 -0.12303E-01 5086 0.820E-01 0.164E+00 RMM: 3 -0.332670605358E+03 0.19046E-01 -0.15585E-02 5388 0.292E-01 0.344E-01 RMM: 4 -0.332669800366E+03 0.80499E-03 -0.18268E-03 4904 0.888E-02 0.112E-01 RMM: 5 -0.332669812050E+03 -0.11684E-04 -0.25393E-04 3918 0.391E-02 0.129E-01 RMM: 6 -0.332669706116E+03 0.10593E-03 -0.67760E-05 3431 0.240E-02 0.479E-02 RMM: 7 -0.332669714897E+03 -0.87808E-05 -0.25772E-05 2623 0.154E-02 7255 T= 6664. E= 0.67568422E+03 F= 0.62359927E+03 E0= 0.65189494E+03 EK= 0.54271E+02 SP= -.24E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333577228746E+03 -0.90752E+00 -0.15644E-01 8632 0.244E+01 0.271E-01 RMM: 2 -0.333606906011E+03 -0.29677E-01 -0.17812E-01 5093 0.953E-01 0.143E+00 RMM: 3 -0.333592093447E+03 0.14813E-01 -0.17936E-02 5521 0.290E-01 0.256E-01 RMM: 4 -0.333591597244E+03 0.49620E-03 -0.15498E-03 4981 0.797E-02 0.117E-01 RMM: 5 -0.333591520106E+03 0.77137E-04 -0.17993E-04 4056 0.334E-02 0.912E-02 RMM: 6 -0.333591484844E+03 0.35263E-04 -0.34302E-05 2790 0.175E-02 0.661E-02 RMM: 7 -0.333591488094E+03 -0.32501E-05 -0.28738E-05 2633 0.162E-02 7256 T= 6815. E= 0.67567188E+03 F= 0.62267750E+03 E0= 0.65096834E+03 EK= 0.55495E+02 SP= -.27E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334512060711E+03 -0.92058E+00 -0.17889E-01 8912 0.247E+01 0.263E-01 RMM: 2 -0.334539275989E+03 -0.27215E-01 -0.19229E-01 5413 0.950E-01 0.121E+00 RMM: 3 -0.334528303434E+03 0.10973E-01 -0.16359E-02 5595 0.269E-01 0.256E-01 RMM: 4 -0.334527807844E+03 0.49559E-03 -0.13787E-03 4881 0.761E-02 0.129E-01 RMM: 5 -0.334527720384E+03 0.87459E-04 -0.16794E-04 3982 0.324E-02 0.940E-02 RMM: 6 -0.334527688027E+03 0.32357E-04 -0.31817E-05 2767 0.169E-02 0.738E-02 RMM: 7 -0.334527690589E+03 -0.25617E-05 -0.35988E-05 2745 0.177E-02 7257 T= 6966. E= 0.67566209E+03 F= 0.62174130E+03 E0= 0.65002948E+03 EK= 0.56730E+02 SP= -.30E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335317297458E+03 -0.78961E+00 -0.20700E-01 9080 0.249E+01 0.239E-01 RMM: 2 -0.335346043962E+03 -0.28747E-01 -0.22608E-01 5353 0.992E-01 0.110E+00 RMM: 3 -0.335336386074E+03 0.96579E-02 -0.17724E-02 5760 0.266E-01 0.224E-01 RMM: 4 -0.335335960718E+03 0.42536E-03 -0.12449E-03 4865 0.746E-02 0.146E-01 RMM: 5 -0.335335834834E+03 0.12588E-03 -0.16706E-04 3964 0.321E-02 0.973E-02 RMM: 6 -0.335335806755E+03 0.28079E-04 -0.36059E-05 2900 0.179E-02 0.829E-02 RMM: 7 -0.335335803765E+03 0.29904E-05 -0.65057E-05 3370 0.217E-02 7258 T= 7101. E= 0.67565660E+03 F= 0.62093319E+03 E0= 0.64921924E+03 EK= 0.57828E+02 SP= -.32E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335915343907E+03 -0.57954E+00 -0.24023E-01 9040 0.250E+01 0.216E-01 RMM: 2 -0.335944551791E+03 -0.29208E-01 -0.25312E-01 5559 0.101E+00 0.900E-01 RMM: 3 -0.335936531914E+03 0.80199E-02 -0.16596E-02 5701 0.257E-01 0.203E-01 RMM: 4 -0.335936198371E+03 0.33354E-03 -0.11601E-03 4958 0.707E-02 0.149E-01 RMM: 5 -0.335936062626E+03 0.13574E-03 -0.15382E-04 3910 0.313E-02 0.918E-02 RMM: 6 -0.335936039217E+03 0.23409E-04 -0.36664E-05 2973 0.179E-02 0.781E-02 RMM: 7 -0.335936038652E+03 0.56524E-06 -0.82923E-05 3701 0.233E-02 7259 T= 7209. E= 0.67565455E+03 F= 0.62033295E+03 E0= 0.64861447E+03 EK= 0.58702E+02 SP= -.35E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336285822067E+03 -0.34978E+00 -0.26829E-01 9056 0.249E+01 0.225E-01 RMM: 2 -0.336318682156E+03 -0.32860E-01 -0.27634E-01 5582 0.103E+00 0.100E+00 RMM: 3 -0.336308710088E+03 0.99721E-02 -0.16608E-02 5763 0.262E-01 0.206E-01 RMM: 4 -0.336308367753E+03 0.34234E-03 -0.12155E-03 4905 0.739E-02 0.146E-01 RMM: 5 -0.336308244325E+03 0.12343E-03 -0.16332E-04 3914 0.324E-02 0.918E-02 RMM: 6 -0.336308211786E+03 0.32540E-04 -0.40149E-05 3019 0.188E-02 0.704E-02 RMM: 7 -0.336308223311E+03 -0.11526E-04 -0.62575E-05 3372 0.210E-02 7260 T= 7285. E= 0.67565505E+03 F= 0.61996077E+03 E0= 0.64823336E+03 EK= 0.59324E+02 SP= -.37E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336452814833E+03 -0.14460E+00 -0.30901E-01 8848 0.248E+01 0.200E-01 RMM: 2 -0.336484761335E+03 -0.31947E-01 -0.29131E-01 6214 0.104E+00 0.773E-01 RMM: 3 -0.336477749991E+03 0.70113E-02 -0.13512E-02 5621 0.244E-01 0.187E-01 RMM: 4 -0.336477522098E+03 0.22789E-03 -0.10142E-03 4949 0.659E-02 0.140E-01 RMM: 5 -0.336477390863E+03 0.13124E-03 -0.13283E-04 3914 0.300E-02 0.829E-02 RMM: 6 -0.336477369727E+03 0.21136E-04 -0.35767E-05 2949 0.179E-02 0.677E-02 RMM: 7 -0.336477385008E+03 -0.15282E-04 -0.80024E-05 3692 0.226E-02 7261 T= 7333. E= 0.67565724E+03 F= 0.61979160E+03 E0= 0.64805214E+03 EK= 0.59712E+02 SP= -.39E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336465848032E+03 0.11522E-01 -0.36168E-01 8776 0.247E+01 0.222E-01 RMM: 2 -0.336501046589E+03 -0.35199E-01 -0.31564E-01 6186 0.108E+00 0.853E-01 RMM: 3 -0.336493195615E+03 0.78510E-02 -0.14695E-02 5670 0.257E-01 0.190E-01 RMM: 4 -0.336492950688E+03 0.24493E-03 -0.11069E-03 4938 0.707E-02 0.153E-01 RMM: 5 -0.336492821643E+03 0.12905E-03 -0.16204E-04 3907 0.341E-02 0.938E-02 RMM: 6 -0.336492781403E+03 0.40240E-04 -0.47818E-05 3118 0.204E-02 0.634E-02 RMM: 7 -0.336492809260E+03 -0.27857E-04 -0.70247E-05 3598 0.220E-02 0.931E-02 RMM: 8 -0.336492755854E+03 0.53406E-04 -0.53732E-05 3093 0.188E-02 0.322E-02 RMM: 9 -0.336492753869E+03 0.19851E-05 -0.17491E-05 2486 0.120E-02 7262 T= 7357. E= 0.67565992E+03 F= 0.61977624E+03 E0= 0.64802100E+03 EK= 0.59913E+02 SP= -.41E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336376984430E+03 0.11577E+00 -0.41422E-01 8680 0.245E+01 0.215E-01 RMM: 2 -0.336411759515E+03 -0.34775E-01 -0.32399E-01 6609 0.110E+00 0.710E-01 RMM: 3 -0.336405989042E+03 0.57705E-02 -0.12551E-02 5537 0.242E-01 0.152E-01 RMM: 4 -0.336406053722E+03 -0.64680E-04 -0.95829E-04 4917 0.681E-02 0.217E-01 RMM: 5 -0.336405720043E+03 0.33368E-03 -0.18787E-04 3909 0.372E-02 0.622E-02 RMM: 6 -0.336405715312E+03 0.47317E-05 -0.47093E-05 3073 0.199E-02 7263 T= 7365. E= 0.67566212E+03 F= 0.61986327E+03 E0= 0.64809090E+03 EK= 0.59973E+02 SP= -.42E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336226944163E+03 0.17878E+00 -0.44121E-01 8584 0.244E+01 0.281E-01 RMM: 2 -0.336273832435E+03 -0.46888E-01 -0.33630E-01 6397 0.111E+00 0.146E+00 RMM: 3 -0.336256319523E+03 0.17513E-01 -0.16192E-02 5433 0.291E-01 0.250E-01 RMM: 4 -0.336255925779E+03 0.39374E-03 -0.14959E-03 5051 0.792E-02 0.128E-01 RMM: 5 -0.336255859075E+03 0.66704E-04 -0.18097E-04 4274 0.312E-02 0.110E-01 RMM: 6 -0.336255809903E+03 0.49172E-04 -0.51708E-05 3168 0.210E-02 0.766E-02 RMM: 7 -0.336255882114E+03 -0.72210E-04 -0.99961E-05 3846 0.259E-02 0.127E-01 RMM: 8 -0.336255785847E+03 0.96266E-04 -0.10268E-04 3876 0.246E-02 0.424E-02 RMM: 9 -0.336255778649E+03 0.71983E-05 -0.17827E-05 2551 0.119E-02 7264 T= 7360. E= 0.67566248E+03 F= 0.62001321E+03 E0= 0.64822389E+03 EK= 0.59932E+02 SP= -.43E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336030223425E+03 0.22556E+00 -0.45680E-01 8536 0.244E+01 0.296E-01 RMM: 2 -0.336072707512E+03 -0.42484E-01 -0.33523E-01 6154 0.110E+00 0.125E+00 RMM: 3 -0.336059215256E+03 0.13492E-01 -0.15076E-02 5491 0.279E-01 0.248E-01 RMM: 4 -0.336058993112E+03 0.22214E-03 -0.17574E-03 5182 0.939E-02 0.212E-01 RMM: 5 -0.336058793410E+03 0.19970E-03 -0.30680E-04 3920 0.445E-02 0.136E-01 RMM: 6 -0.336058667010E+03 0.12640E-03 -0.77430E-05 3560 0.253E-02 0.389E-02 RMM: 7 -0.336058686464E+03 -0.19454E-04 -0.38434E-05 2958 0.177E-02 7265 T= 7344. E= 0.67566086E+03 F= 0.62021030E+03 E0= 0.64840570E+03 EK= 0.59804E+02 SP= -.44E+01 SK= 0.43E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335774522293E+03 0.28414E+00 -0.46938E-01 8808 0.244E+01 0.243E-01 RMM: 2 -0.335815172279E+03 -0.40650E-01 -0.33614E-01 6109 0.113E+00 0.110E+00 RMM: 3 -0.335804144706E+03 0.11028E-01 -0.16350E-02 5585 0.272E-01 0.201E-01 RMM: 4 -0.335803872205E+03 0.27250E-03 -0.12285E-03 4934 0.744E-02 0.143E-01 RMM: 5 -0.335803764655E+03 0.10755E-03 -0.17187E-04 4052 0.324E-02 0.956E-02 RMM: 6 -0.335803727348E+03 0.37307E-04 -0.46612E-05 3087 0.199E-02 0.651E-02 RMM: 7 -0.335803764332E+03 -0.36983E-04 -0.88393E-05 3781 0.244E-02 0.982E-02 RMM: 8 -0.335803706093E+03 0.58238E-04 -0.52177E-05 3254 0.204E-02 0.274E-02 RMM: 9 -0.335803710383E+03 -0.42892E-05 -0.14543E-05 2499 0.110E-02 7266 T= 7316. E= 0.67565745E+03 F= 0.62046528E+03 E0= 0.64864775E+03 EK= 0.59580E+02 SP= -.44E+01 SK= 0.43E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335432578794E+03 0.37113E+00 -0.46036E-01 8880 0.245E+01 0.207E-01 RMM: 2 -0.335467135134E+03 -0.34556E-01 -0.32627E-01 6243 0.112E+00 0.672E-01 RMM: 3 -0.335461749823E+03 0.53853E-02 -0.15847E-02 5709 0.252E-01 0.155E-01 RMM: 4 -0.335461636312E+03 0.11351E-03 -0.10316E-03 4905 0.719E-02 0.193E-01 RMM: 5 -0.335461401749E+03 0.23456E-03 -0.20084E-04 3933 0.384E-02 0.732E-02 RMM: 6 -0.335461377917E+03 0.23832E-04 -0.43437E-05 3033 0.195E-02 0.507E-02 RMM: 7 -0.335461392060E+03 -0.14143E-04 -0.34111E-05 2639 0.179E-02 7267 T= 7274. E= 0.67565399E+03 F= 0.62080760E+03 E0= 0.64897865E+03 EK= 0.59233E+02 SP= -.44E+01 SK= 0.50E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334974388126E+03 0.48699E+00 -0.43784E-01 8952 0.246E+01 0.196E-01 RMM: 2 -0.335008615736E+03 -0.34228E-01 -0.32323E-01 5885 0.115E+00 0.687E-01 RMM: 3 -0.335003390830E+03 0.52249E-02 -0.19028E-02 6201 0.259E-01 0.167E-01 RMM: 4 -0.335003002141E+03 0.38869E-03 -0.89927E-04 4912 0.674E-02 0.140E-01 RMM: 5 -0.335002885236E+03 0.11690E-03 -0.13711E-04 3925 0.310E-02 0.789E-02 RMM: 6 -0.335002897525E+03 -0.12289E-04 -0.51950E-05 3180 0.207E-02 7268 T= 7213. E= 0.67565194E+03 F= 0.62126609E+03 E0= 0.64942806E+03 EK= 0.58739E+02 SP= -.44E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334398254569E+03 0.60463E+00 -0.41531E-01 8928 0.246E+01 0.311E-01 RMM: 2 -0.334449177314E+03 -0.50923E-01 -0.33688E-01 5373 0.121E+00 0.166E+00 RMM: 3 -0.334427522998E+03 0.21654E-01 -0.26525E-02 5553 0.345E-01 0.290E-01 RMM: 4 -0.334426846778E+03 0.67622E-03 -0.21987E-03 5362 0.941E-02 0.129E-01 RMM: 5 -0.334426785732E+03 0.61046E-04 -0.25660E-04 4937 0.325E-02 0.104E-01 RMM: 6 -0.334426744544E+03 0.41188E-04 -0.43316E-05 3069 0.194E-02 0.769E-02 RMM: 7 -0.334426804139E+03 -0.59595E-04 -0.83697E-05 3686 0.243E-02 0.117E-01 RMM: 8 -0.334426734318E+03 0.69821E-04 -0.89331E-05 3791 0.231E-02 0.443E-02 RMM: 9 -0.334426726847E+03 0.74712E-05 -0.19497E-05 2575 0.127E-02 7269 T= 7135. E= 0.67565428E+03 F= 0.62184226E+03 E0= 0.64999683E+03 EK= 0.58101E+02 SP= -.43E+01 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333767458530E+03 0.65928E+00 -0.36098E-01 8896 0.246E+01 0.404E-01 RMM: 2 -0.333825040411E+03 -0.57582E-01 -0.31139E-01 5192 0.119E+00 0.207E+00 RMM: 3 -0.333793394218E+03 0.31646E-01 -0.29342E-02 5472 0.372E-01 0.388E-01 RMM: 4 -0.333792275934E+03 0.11183E-02 -0.31411E-03 5356 0.117E-01 0.151E-01 RMM: 5 -0.333792249064E+03 0.26869E-04 -0.41552E-04 4304 0.399E-02 0.150E-01 RMM: 6 -0.333792113891E+03 0.13517E-03 -0.90316E-05 3625 0.260E-02 0.645E-02 RMM: 7 -0.333792145790E+03 -0.31899E-04 -0.52196E-05 3229 0.196E-02 0.920E-02 RMM: 8 -0.333792115094E+03 0.30696E-04 -0.75847E-05 3675 0.222E-02 0.513E-02 RMM: 9 -0.333792101762E+03 0.13332E-04 -0.18847E-05 2555 0.126E-02 7270 T= 7047. E= 0.67566181E+03 F= 0.62247689E+03 E0= 0.65062557E+03 EK= 0.57385E+02 SP= -.42E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333199421625E+03 0.59269E+00 -0.29414E-01 8960 0.245E+01 0.314E-01 RMM: 2 -0.333239128818E+03 -0.39707E-01 -0.27002E-01 5379 0.110E+00 0.147E+00 RMM: 3 -0.333222421575E+03 0.16707E-01 -0.22679E-02 5589 0.311E-01 0.289E-01 RMM: 4 -0.333221728461E+03 0.69311E-03 -0.19657E-03 5082 0.897E-02 0.136E-01 RMM: 5 -0.333221644965E+03 0.83495E-04 -0.24443E-04 4256 0.337E-02 0.112E-01 RMM: 6 -0.333221579072E+03 0.65893E-04 -0.43628E-05 3064 0.194E-02 0.694E-02 RMM: 7 -0.333221593624E+03 -0.14551E-04 -0.46439E-05 3146 0.194E-02 7271 T= 6964. E= 0.67567009E+03 F= 0.62304740E+03 E0= 0.65119260E+03 EK= 0.56711E+02 SP= -.41E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332825552058E+03 0.39603E+00 -0.22787E-01 8976 0.244E+01 0.270E-01 RMM: 2 -0.332858511611E+03 -0.32960E-01 -0.24058E-01 5265 0.105E+00 0.125E+00 RMM: 3 -0.332846268225E+03 0.12243E-01 -0.21307E-02 5695 0.292E-01 0.265E-01 RMM: 4 -0.332845625817E+03 0.64241E-03 -0.15613E-03 5080 0.804E-02 0.111E-01 RMM: 5 -0.332845566123E+03 0.59694E-04 -0.18575E-04 4822 0.302E-02 0.905E-02 RMM: 6 -0.332845540778E+03 0.25345E-04 -0.29173E-05 2651 0.162E-02 0.760E-02 RMM: 7 -0.332845575024E+03 -0.34246E-04 -0.81039E-05 3621 0.229E-02 0.110E-01 RMM: 8 -0.332845500706E+03 0.74318E-04 -0.95508E-05 3879 0.246E-02 0.360E-02 RMM: 9 -0.332845497922E+03 0.27834E-05 -0.17089E-05 2548 0.119E-02 7272 T= 6903. E= 0.67567372E+03 F= 0.62342349E+03 E0= 0.65156626E+03 EK= 0.56210E+02 SP= -.40E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332708046166E+03 0.13745E+00 -0.18804E-01 8288 0.245E+01 0.261E-01 RMM: 2 -0.332736366433E+03 -0.28320E-01 -0.22046E-01 5004 0.102E+00 0.111E+00 RMM: 3 -0.332726694030E+03 0.96724E-02 -0.21248E-02 5880 0.284E-01 0.187E-01 RMM: 4 -0.332726338939E+03 0.35509E-03 -0.13492E-03 4950 0.782E-02 0.168E-01 RMM: 5 -0.332726172013E+03 0.16693E-03 -0.19786E-04 3937 0.336E-02 0.978E-02 RMM: 6 -0.332726114926E+03 0.57088E-04 -0.49675E-05 3157 0.205E-02 0.472E-02 RMM: 7 -0.332726121256E+03 -0.63305E-05 -0.30768E-05 2635 0.164E-02 7273 T= 6870. E= 0.67567034E+03 F= 0.62354287E+03 E0= 0.65168580E+03 EK= 0.55943E+02 SP= -.39E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332811793413E+03 -0.85678E-01 -0.15211E-01 8456 0.247E+01 0.201E-01 RMM: 2 -0.332830598551E+03 -0.18805E-01 -0.15626E-01 5208 0.858E-01 0.816E-01 RMM: 3 -0.332824953571E+03 0.56450E-02 -0.13805E-02 6007 0.227E-01 0.187E-01 RMM: 4 -0.332824588410E+03 0.36516E-03 -0.79082E-04 4924 0.597E-02 0.100E-01 RMM: 5 -0.332824526735E+03 0.61675E-04 -0.10126E-04 3937 0.258E-02 0.720E-02 RMM: 6 -0.332824514461E+03 0.12274E-04 -0.26378E-05 2579 0.155E-02 7274 T= 6861. E= 0.67566260E+03 F= 0.62344447E+03 E0= 0.65158999E+03 EK= 0.55875E+02 SP= -.37E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333025492432E+03 -0.20097E+00 -0.15345E-01 8400 0.249E+01 0.284E-01 RMM: 2 -0.333055970519E+03 -0.30478E-01 -0.17268E-01 5073 0.929E-01 0.151E+00 RMM: 3 -0.333039703377E+03 0.16267E-01 -0.18314E-02 5579 0.287E-01 0.277E-01 RMM: 4 -0.333039108354E+03 0.59502E-03 -0.15411E-03 4975 0.790E-02 0.111E-01 RMM: 5 -0.333039043389E+03 0.64965E-04 -0.17687E-04 4247 0.313E-02 0.933E-02 RMM: 6 -0.333039017249E+03 0.26140E-04 -0.33975E-05 2733 0.172E-02 0.816E-02 RMM: 7 -0.333039043109E+03 -0.25861E-04 -0.94827E-05 3835 0.250E-02 0.110E-01 RMM: 8 -0.333038963654E+03 0.79455E-04 -0.11396E-04 3889 0.243E-02 0.424E-02 RMM: 9 -0.333038963309E+03 0.34508E-06 -0.30095E-05 2728 0.156E-02 7275 T= 6866. E= 0.67565639E+03 F= 0.62323003E+03 E0= 0.65138257E+03 EK= 0.55910E+02 SP= -.35E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333270094625E+03 -0.23113E+00 -0.15593E-01 8736 0.251E+01 0.360E-01 RMM: 2 -0.333307448141E+03 -0.37354E-01 -0.16953E-01 5152 0.924E-01 0.183E+00 RMM: 3 -0.333283578112E+03 0.23870E-01 -0.19768E-02 5479 0.309E-01 0.320E-01 RMM: 4 -0.333282943901E+03 0.63421E-03 -0.23186E-03 4977 0.102E-01 0.177E-01 RMM: 5 -0.333282820140E+03 0.12376E-03 -0.32387E-04 3927 0.420E-02 0.143E-01 RMM: 6 -0.333282694523E+03 0.12562E-03 -0.85095E-05 3622 0.263E-02 0.546E-02 RMM: 7 -0.333282712232E+03 -0.17709E-04 -0.41448E-05 3038 0.184E-02 7276 T= 6872. E= 0.67565491E+03 F= 0.62298628E+03 E0= 0.65114911E+03 EK= 0.55964E+02 SP= -.34E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333517947454E+03 -0.23525E+00 -0.15666E-01 8808 0.251E+01 0.274E-01 RMM: 2 -0.333546644066E+03 -0.28697E-01 -0.16194E-01 5267 0.879E-01 0.144E+00 RMM: 3 -0.333531530082E+03 0.15114E-01 -0.16085E-02 5510 0.267E-01 0.275E-01 RMM: 4 -0.333530959240E+03 0.57084E-03 -0.14197E-03 4984 0.749E-02 0.110E-01 RMM: 5 -0.333530907976E+03 0.51265E-04 -0.14741E-04 4311 0.284E-02 0.976E-02 RMM: 6 -0.333530885556E+03 0.22420E-04 -0.25093E-05 2581 0.146E-02 0.912E-02 RMM: 7 -0.333530917643E+03 -0.32088E-04 -0.16466E-04 3912 0.304E-02 0.129E-01 RMM: 8 -0.333530815074E+03 0.10257E-03 -0.12916E-04 3888 0.281E-02 0.404E-02 RMM: 9 -0.333530810929E+03 0.41450E-05 -0.21547E-05 2591 0.131E-02 7277 T= 6878. E= 0.67565701E+03 F= 0.62273818E+03 E0= 0.65091865E+03 EK= 0.56010E+02 SP= -.32E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333792766698E+03 -0.26195E+00 -0.16507E-01 8520 0.250E+01 0.236E-01 RMM: 2 -0.333815027546E+03 -0.22261E-01 -0.17780E-01 5045 0.910E-01 0.947E-01 RMM: 3 -0.333807794787E+03 0.72328E-02 -0.17419E-02 5862 0.252E-01 0.185E-01 RMM: 4 -0.333807482376E+03 0.31241E-03 -0.10789E-03 4800 0.734E-02 0.168E-01 RMM: 5 -0.333807304110E+03 0.17827E-03 -0.17483E-04 3885 0.328E-02 0.929E-02 RMM: 6 -0.333807254472E+03 0.49639E-04 -0.44999E-05 3120 0.198E-02 0.501E-02 RMM: 7 -0.333807260701E+03 -0.62297E-05 -0.34115E-05 2678 0.170E-02 7278 T= 6885. E= 0.67565890E+03 F= 0.62246173E+03 E0= 0.65066666E+03 EK= 0.56070E+02 SP= -.30E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334124230113E+03 -0.31698E+00 -0.16360E-01 8696 0.248E+01 0.174E-01 RMM: 2 -0.334143103522E+03 -0.18873E-01 -0.16524E-01 5106 0.862E-01 0.713E-01 RMM: 3 -0.334138339763E+03 0.47638E-02 -0.14667E-02 6095 0.228E-01 0.170E-01 RMM: 4 -0.334137965840E+03 0.37392E-03 -0.67271E-04 4762 0.577E-02 0.102E-01 RMM: 5 -0.334137905337E+03 0.60503E-04 -0.84164E-05 3684 0.256E-02 0.735E-02 RMM: 6 -0.334137903322E+03 0.20149E-05 -0.31926E-05 2663 0.167E-02 7279 T= 6897. E= 0.67565777E+03 F= 0.62213109E+03 E0= 0.65036782E+03 EK= 0.56164E+02 SP= -.27E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334493688150E+03 -0.35578E+00 -0.16754E-01 8584 0.248E+01 0.303E-01 RMM: 2 -0.334528153828E+03 -0.34466E-01 -0.17722E-01 4984 0.901E-01 0.165E+00 RMM: 3 -0.334508149407E+03 0.20004E-01 -0.18495E-02 5450 0.301E-01 0.310E-01 RMM: 4 -0.334507444927E+03 0.70448E-03 -0.18169E-03 4990 0.857E-02 0.101E-01 RMM: 5 -0.334507407032E+03 0.37896E-04 -0.20222E-04 4059 0.330E-02 0.944E-02 RMM: 6 -0.334507357567E+03 0.49465E-04 -0.36330E-05 2905 0.176E-02 0.606E-02 RMM: 7 -0.334507373812E+03 -0.16245E-04 -0.42628E-05 3076 0.189E-02 7280 T= 6911. E= 0.67565293E+03 F= 0.62176162E+03 E0= 0.65003606E+03 EK= 0.56277E+02 SP= -.25E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334827921873E+03 -0.32056E+00 -0.17665E-01 8752 0.248E+01 0.336E-01 RMM: 2 -0.334869489297E+03 -0.41567E-01 -0.19199E-01 4894 0.941E-01 0.190E+00 RMM: 3 -0.334843530668E+03 0.25959E-01 -0.21281E-02 5423 0.325E-01 0.315E-01 RMM: 4 -0.334842824528E+03 0.70614E-03 -0.22221E-03 5127 0.957E-02 0.131E-01 RMM: 5 -0.334842789631E+03 0.34898E-04 -0.27526E-04 3935 0.383E-02 0.125E-01 RMM: 6 -0.334842685169E+03 0.10446E-03 -0.69959E-05 3456 0.237E-02 0.496E-02 RMM: 7 -0.334842696702E+03 -0.11533E-04 -0.32224E-05 2788 0.165E-02 7281 T= 6918. E= 0.67564567E+03 F= 0.62142629E+03 E0= 0.64974179E+03 EK= 0.56337E+02 SP= -.23E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335015750589E+03 -0.17307E+00 -0.19143E-01 8880 0.248E+01 0.270E-01 RMM: 2 -0.335049146457E+03 -0.33396E-01 -0.20811E-01 5028 0.964E-01 0.145E+00 RMM: 3 -0.335033316425E+03 0.15830E-01 -0.20282E-02 5554 0.291E-01 0.263E-01 RMM: 4 -0.335032691325E+03 0.62510E-03 -0.16090E-03 4963 0.826E-02 0.110E-01 RMM: 5 -0.335032638823E+03 0.52502E-04 -0.20054E-04 4031 0.341E-02 0.954E-02 RMM: 6 -0.335032589617E+03 0.49206E-04 -0.43406E-05 3043 0.193E-02 0.606E-02 RMM: 7 -0.335032604534E+03 -0.14917E-04 -0.36982E-05 2814 0.177E-02 7282 T= 6905. E= 0.67563812E+03 F= 0.62123638E+03 E0= 0.64959327E+03 EK= 0.56234E+02 SP= -.20E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334945775300E+03 0.86814E-01 -0.20762E-01 8824 0.248E+01 0.232E-01 RMM: 2 -0.334972943410E+03 -0.27168E-01 -0.21841E-01 5202 0.962E-01 0.991E-01 RMM: 3 -0.334964361079E+03 0.85823E-02 -0.18997E-02 5695 0.269E-01 0.244E-01 RMM: 4 -0.334963794856E+03 0.56622E-03 -0.12688E-03 4980 0.745E-02 0.114E-01 RMM: 5 -0.334963719157E+03 0.75699E-04 -0.15855E-04 3997 0.318E-02 0.840E-02 RMM: 6 -0.334963687357E+03 0.31800E-04 -0.31808E-05 2737 0.167E-02 0.608E-02 RMM: 7 -0.334963693607E+03 -0.62504E-05 -0.46051E-05 3059 0.189E-02 7283 T= 6859. E= 0.67563287E+03 F= 0.62130530E+03 E0= 0.64969933E+03 EK= 0.55859E+02 SP= -.17E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334535505130E+03 0.42818E+00 -0.22356E-01 8840 0.248E+01 0.213E-01 RMM: 2 -0.334564189114E+03 -0.28684E-01 -0.23293E-01 5149 0.101E+00 0.997E-01 RMM: 3 -0.334555628122E+03 0.85610E-02 -0.20520E-02 5793 0.271E-01 0.212E-01 RMM: 4 -0.334555105148E+03 0.52297E-03 -0.12131E-03 4904 0.755E-02 0.130E-01 RMM: 5 -0.334555004033E+03 0.10112E-03 -0.16922E-04 3913 0.335E-02 0.866E-02 RMM: 6 -0.334554973350E+03 0.30683E-04 -0.41352E-05 3033 0.186E-02 0.663E-02 RMM: 7 -0.334554982760E+03 -0.94102E-05 -0.54902E-05 3216 0.205E-02 7284 T= 6771. E= 0.67563115E+03 F= 0.62171401E+03 E0= 0.65013868E+03 EK= 0.55136E+02 SP= -.14E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333757015606E+03 0.79796E+00 -0.21381E-01 9112 0.246E+01 0.208E-01 RMM: 2 -0.333780677581E+03 -0.23662E-01 -0.20004E-01 5359 0.901E-01 0.853E-01 RMM: 3 -0.333773848958E+03 0.68286E-02 -0.14893E-02 5698 0.246E-01 0.186E-01 RMM: 4 -0.333773560940E+03 0.28802E-03 -0.10312E-03 5171 0.645E-02 0.124E-01 RMM: 5 -0.333773465091E+03 0.95848E-04 -0.12338E-04 3811 0.297E-02 0.811E-02 RMM: 6 -0.333773438931E+03 0.26160E-04 -0.35413E-05 2894 0.175E-02 0.640E-02 RMM: 7 -0.333773447026E+03 -0.80943E-05 -0.84180E-05 3719 0.230E-02 7285 T= 6636. E= 0.67563221E+03 F= 0.62249554E+03 E0= 0.65094122E+03 EK= 0.54038E+02 SP= -.11E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332617730528E+03 0.11557E+01 -0.21244E-01 8984 0.243E+01 0.198E-01 RMM: 2 -0.332640991173E+03 -0.23261E-01 -0.19330E-01 5670 0.869E-01 0.879E-01 RMM: 3 -0.332633919315E+03 0.70719E-02 -0.12372E-02 5759 0.220E-01 0.181E-01 RMM: 4 -0.332633643282E+03 0.27603E-03 -0.89677E-04 4839 0.643E-02 0.128E-01 RMM: 5 -0.332633546426E+03 0.96856E-04 -0.13373E-04 3845 0.296E-02 0.808E-02 RMM: 6 -0.332633515426E+03 0.31000E-04 -0.36416E-05 2993 0.180E-02 0.533E-02 RMM: 7 -0.332633532353E+03 -0.16927E-04 -0.39748E-05 2823 0.178E-02 7286 T= 6457. E= 0.67563542E+03 F= 0.62363546E+03 E0= 0.65209160E+03 EK= 0.52586E+02 SP= -.78E+00 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331176269963E+03 0.14572E+01 -0.20638E-01 9016 0.240E+01 0.197E-01 RMM: 2 -0.331197157103E+03 -0.20887E-01 -0.17687E-01 5618 0.829E-01 0.802E-01 RMM: 3 -0.331190892335E+03 0.62648E-02 -0.11197E-02 5799 0.213E-01 0.168E-01 RMM: 4 -0.331190663868E+03 0.22847E-03 -0.81722E-04 4945 0.581E-02 0.110E-01 RMM: 5 -0.331190583783E+03 0.80085E-04 -0.10316E-04 3749 0.251E-02 0.769E-02 RMM: 6 -0.331190556841E+03 0.26942E-04 -0.31062E-05 2780 0.169E-02 0.536E-02 RMM: 7 -0.331190577084E+03 -0.20244E-04 -0.51651E-05 3182 0.187E-02 0.866E-02 RMM: 8 -0.331190532174E+03 0.44911E-04 -0.59111E-05 3318 0.195E-02 0.319E-02 RMM: 9 -0.331190528861E+03 0.33125E-05 -0.14604E-05 2483 0.108E-02 7287 T= 6244. E= 0.67564114E+03 F= 0.62507846E+03 E0= 0.65353609E+03 EK= 0.50844E+02 SP= -.47E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329520646640E+03 0.16699E+01 -0.19465E-01 9024 0.235E+01 0.189E-01 RMM: 2 -0.329541114172E+03 -0.20468E-01 -0.16948E-01 5857 0.799E-01 0.821E-01 RMM: 3 -0.329534489398E+03 0.66248E-02 -0.91866E-03 5594 0.199E-01 0.150E-01 RMM: 4 -0.329534409517E+03 0.79881E-04 -0.81928E-04 4813 0.609E-02 0.157E-01 RMM: 5 -0.329534235018E+03 0.17450E-03 -0.13333E-04 3850 0.289E-02 0.697E-02 RMM: 6 -0.329534210868E+03 0.24150E-04 -0.30209E-05 2812 0.165E-02 0.487E-02 RMM: 7 -0.329534215679E+03 -0.48109E-05 -0.43057E-05 2869 0.178E-02 7288 T= 6006. E= 0.67564870E+03 F= 0.62673477E+03 E0= 0.65518581E+03 EK= 0.48910E+02 SP= -.17E+00 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327771843495E+03 0.17624E+01 -0.18002E-01 9024 0.230E+01 0.180E-01 RMM: 2 -0.327790191338E+03 -0.18348E-01 -0.15849E-01 5740 0.787E-01 0.734E-01 RMM: 3 -0.327784730328E+03 0.54610E-02 -0.90508E-03 5821 0.190E-01 0.151E-01 RMM: 4 -0.327784558325E+03 0.17200E-03 -0.68783E-04 4758 0.547E-02 0.122E-01 RMM: 5 -0.327784452942E+03 0.10538E-03 -0.96365E-05 3677 0.253E-02 0.703E-02 RMM: 6 -0.327784445386E+03 0.75564E-05 -0.28035E-05 2634 0.157E-02 7289 T= 5761. E= 0.67565753E+03 F= 0.62848454E+03 E0= 0.65692431E+03 EK= 0.46913E+02 SP= 0.11E+00 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326075601921E+03 0.17089E+01 -0.16683E-01 9040 0.225E+01 0.278E-01 RMM: 2 -0.326104346204E+03 -0.28744E-01 -0.16125E-01 5463 0.833E-01 0.147E+00 RMM: 3 -0.326088614767E+03 0.15731E-01 -0.14103E-02 5467 0.258E-01 0.245E-01 RMM: 4 -0.326088211643E+03 0.40312E-03 -0.14046E-03 5018 0.720E-02 0.121E-01 RMM: 5 -0.326088122400E+03 0.89243E-04 -0.14357E-04 3889 0.312E-02 0.911E-02 RMM: 6 -0.326088087214E+03 0.35186E-04 -0.38260E-05 2962 0.182E-02 0.703E-02 RMM: 7 -0.326088119724E+03 -0.32510E-04 -0.78299E-05 3627 0.230E-02 0.106E-01 RMM: 8 -0.326088051378E+03 0.68346E-04 -0.97806E-05 3877 0.237E-02 0.363E-02 RMM: 9 -0.326088052721E+03 -0.13426E-05 -0.22405E-05 2602 0.135E-02 7290 T= 5527. E= 0.67566919E+03 F= 0.63018094E+03 E0= 0.65860595E+03 EK= 0.45007E+02 SP= 0.37E+00 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324611241726E+03 0.14768E+01 -0.15127E-01 8984 0.220E+01 0.330E-01 RMM: 2 -0.324643339823E+03 -0.32098E-01 -0.15440E-01 5372 0.849E-01 0.167E+00 RMM: 3 -0.324623635854E+03 0.19704E-01 -0.15488E-02 5409 0.281E-01 0.346E-01 RMM: 4 -0.324622873120E+03 0.76273E-03 -0.20614E-03 4890 0.977E-02 0.159E-01 RMM: 5 -0.324622792261E+03 0.80860E-04 -0.29402E-04 3909 0.425E-02 0.135E-01 RMM: 6 -0.324622672580E+03 0.11968E-03 -0.78756E-05 3580 0.255E-02 0.490E-02 RMM: 7 -0.324622679549E+03 -0.69689E-05 -0.30515E-05 2685 0.163E-02 7291 T= 5326. E= 0.67568213E+03 F= 0.63164631E+03 E0= 0.66005946E+03 EK= 0.43373E+02 SP= 0.59E+00 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323567359529E+03 0.10553E+01 -0.12667E-01 9040 0.216E+01 0.234E-01 RMM: 2 -0.323587574013E+03 -0.20214E-01 -0.12288E-01 5569 0.742E-01 0.116E+00 RMM: 3 -0.323577453734E+03 0.10120E-01 -0.98418E-03 5458 0.216E-01 0.259E-01 RMM: 4 -0.323577021249E+03 0.43248E-03 -0.10313E-03 4866 0.637E-02 0.100E-01 RMM: 5 -0.323576973414E+03 0.47835E-04 -0.10789E-04 3863 0.260E-02 0.868E-02 RMM: 6 -0.323576953729E+03 0.19684E-04 -0.25794E-05 2596 0.152E-02 7292 T= 5182. E= 0.67569301E+03 F= 0.63269204E+03 E0= 0.66109721E+03 EK= 0.42198E+02 SP= 0.76E+00 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323096109092E+03 0.48086E+00 -0.10966E-01 8768 0.212E+01 0.356E-01 RMM: 2 -0.323135200498E+03 -0.39091E-01 -0.11467E-01 5244 0.760E-01 0.208E+00 RMM: 3 -0.323104507155E+03 0.30693E-01 -0.16527E-02 5363 0.312E-01 0.310E-01 RMM: 4 -0.323103864608E+03 0.64255E-03 -0.19105E-03 5048 0.805E-02 0.104E-01 RMM: 5 -0.323103806030E+03 0.58578E-04 -0.16198E-04 3923 0.326E-02 0.100E-01 RMM: 6 -0.323103761801E+03 0.44229E-04 -0.40400E-05 3014 0.189E-02 0.675E-02 RMM: 7 -0.323103792627E+03 -0.30825E-04 -0.55063E-05 3333 0.209E-02 0.968E-02 RMM: 8 -0.323103749204E+03 0.43422E-04 -0.10011E-04 3892 0.228E-02 0.529E-02 RMM: 9 -0.323103735836E+03 0.13368E-04 -0.23789E-05 2642 0.143E-02 7293 T= 5112. E= 0.67569766E+03 F= 0.63316525E+03 E0= 0.66156601E+03 EK= 0.41633E+02 SP= 0.88E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323255990305E+03 -0.15224E+00 -0.98681E-02 8288 0.210E+01 0.381E-01 RMM: 2 -0.323291104180E+03 -0.35114E-01 -0.10443E-01 5097 0.728E-01 0.198E+00 RMM: 3 -0.323263665229E+03 0.27439E-01 -0.16305E-02 5357 0.308E-01 0.365E-01 RMM: 4 -0.323262814787E+03 0.85044E-03 -0.21265E-03 4857 0.961E-02 0.147E-01 RMM: 5 -0.323262826277E+03 -0.11491E-04 -0.30770E-04 3928 0.422E-02 0.163E-01 RMM: 6 -0.323262648084E+03 0.17819E-03 -0.96066E-05 3689 0.283E-02 0.460E-02 RMM: 7 -0.323262651104E+03 -0.30199E-05 -0.28249E-05 2659 0.156E-02 7294 T= 5125. E= 0.67569385E+03 F= 0.63300634E+03 E0= 0.66140805E+03 EK= 0.41733E+02 SP= 0.95E+00 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323983035019E+03 -0.72039E+00 -0.10402E-01 8496 0.210E+01 0.213E-01 RMM: 2 -0.324002339534E+03 -0.19305E-01 -0.10690E-01 5213 0.686E-01 0.118E+00 RMM: 3 -0.323991663755E+03 0.10676E-01 -0.10006E-02 5440 0.216E-01 0.197E-01 RMM: 4 -0.323991397745E+03 0.26601E-03 -0.99665E-04 5002 0.608E-02 0.897E-02 RMM: 5 -0.323991355575E+03 0.42170E-04 -0.99053E-05 3765 0.249E-02 0.743E-02 RMM: 6 -0.323991328128E+03 0.27447E-04 -0.22066E-05 2566 0.140E-02 0.511E-02 RMM: 7 -0.323991340977E+03 -0.12849E-04 -0.33496E-05 2807 0.170E-02 7295 T= 5211. E= 0.67568357E+03 F= 0.63227765E+03 E0= 0.66068441E+03 EK= 0.42439E+02 SP= 0.97E+00 SK= 0.14E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325122247368E+03 -0.11309E+01 -0.12377E-01 8896 0.212E+01 0.247E-01 RMM: 2 -0.325145110882E+03 -0.22864E-01 -0.13957E-01 5127 0.800E-01 0.125E+00 RMM: 3 -0.325133612520E+03 0.11498E-01 -0.14049E-02 5580 0.247E-01 0.213E-01 RMM: 4 -0.325133260110E+03 0.35241E-03 -0.12182E-03 4852 0.706E-02 0.113E-01 RMM: 5 -0.325133184940E+03 0.75170E-04 -0.14782E-04 3987 0.295E-02 0.811E-02 RMM: 6 -0.325133152627E+03 0.32312E-04 -0.28644E-05 2696 0.161E-02 0.525E-02 RMM: 7 -0.325133154926E+03 -0.22990E-05 -0.22824E-05 2580 0.146E-02 7296 T= 5353. E= 0.67567125E+03 F= 0.63113583E+03 E0= 0.65955018E+03 EK= 0.43596E+02 SP= 0.93E+00 SK= 0.61E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326487168260E+03 -0.13540E+01 -0.15861E-01 8928 0.215E+01 0.212E-01 RMM: 2 -0.326510172436E+03 -0.23004E-01 -0.18394E-01 5270 0.902E-01 0.933E-01 RMM: 3 -0.326502974273E+03 0.71982E-02 -0.16426E-02 5742 0.246E-01 0.212E-01 RMM: 4 -0.326502526948E+03 0.44733E-03 -0.10585E-03 5046 0.665E-02 0.122E-01 RMM: 5 -0.326502440443E+03 0.86505E-04 -0.12929E-04 4014 0.287E-02 0.856E-02 RMM: 6 -0.326502424513E+03 0.15930E-04 -0.24148E-05 2561 0.143E-02 7297 T= 5528. E= 0.67566059E+03 F= 0.62976656E+03 E0= 0.65818906E+03 EK= 0.45019E+02 SP= 0.86E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327927300125E+03 -0.14249E+01 -0.18402E-01 9048 0.218E+01 0.308E-01 RMM: 2 -0.327964132628E+03 -0.36833E-01 -0.19836E-01 5343 0.928E-01 0.167E+00 RMM: 3 -0.327943626499E+03 0.20506E-01 -0.18769E-02 5488 0.294E-01 0.316E-01 RMM: 4 -0.327942938478E+03 0.68802E-03 -0.18716E-03 5183 0.815E-02 0.133E-01 RMM: 5 -0.327942859173E+03 0.79305E-04 -0.17443E-04 4322 0.307E-02 0.114E-01 RMM: 6 -0.327942841028E+03 0.18145E-04 -0.30203E-05 2612 0.161E-02 7298 T= 5716. E= 0.67565287E+03 F= 0.62832615E+03 E0= 0.65675580E+03 EK= 0.46550E+02 SP= 0.74E+00 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329332543969E+03 -0.13897E+01 -0.20987E-01 9088 0.222E+01 0.500E-01 RMM: 2 -0.329404488311E+03 -0.71944E-01 -0.21359E-01 5302 0.966E-01 0.282E+00 RMM: 3 -0.329349027891E+03 0.55460E-01 -0.31447E-02 5378 0.420E-01 0.512E-01 RMM: 4 -0.329347139163E+03 0.18887E-02 -0.39903E-03 5389 0.127E-01 0.146E-01 RMM: 5 -0.329347064475E+03 0.74688E-04 -0.45259E-04 4583 0.384E-02 0.130E-01 RMM: 6 -0.329346989757E+03 0.74718E-04 -0.51958E-05 3198 0.206E-02 0.909E-02 RMM: 7 -0.329347056780E+03 -0.67024E-04 -0.94397E-05 3785 0.249E-02 0.132E-01 RMM: 8 -0.329346958284E+03 0.98496E-04 -0.14274E-04 3901 0.257E-02 0.441E-02 RMM: 9 -0.329346972875E+03 -0.14591E-04 -0.39767E-05 3019 0.174E-02 7299 T= 5904. E= 0.67564786E+03 F= 0.62692202E+03 E0= 0.65535706E+03 EK= 0.48078E+02 SP= 0.60E+00 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330632235146E+03 -0.12853E+01 -0.25153E-01 9056 0.225E+01 0.447E-01 RMM: 2 -0.330685871880E+03 -0.53637E-01 -0.24546E-01 5131 0.101E+00 0.216E+00 RMM: 3 -0.330651589790E+03 0.34282E-01 -0.27233E-02 5420 0.370E-01 0.418E-01 RMM: 4 -0.330650584670E+03 0.10051E-02 -0.37497E-03 5341 0.131E-01 0.234E-01 RMM: 5 -0.330650497676E+03 0.86994E-04 -0.59054E-04 4440 0.580E-02 0.209E-01 RMM: 6 -0.330650228522E+03 0.26915E-03 -0.17984E-04 3879 0.345E-02 0.627E-02 RMM: 7 -0.330650307736E+03 -0.79214E-04 -0.88956E-05 3666 0.241E-02 0.117E-01 RMM: 8 -0.330650239795E+03 0.67941E-04 -0.54699E-05 3337 0.222E-02 0.427E-02 RMM: 9 -0.330650238230E+03 0.15649E-05 -0.16681E-05 2540 0.119E-02 7300 T= 6082. E= 0.67564407E+03 F= 0.62561875E+03 E0= 0.65405255E+03 EK= 0.49532E+02 SP= 0.43E+00 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331793114634E+03 -0.11429E+01 -0.29676E-01 9024 0.227E+01 0.242E-01 RMM: 2 -0.331825784369E+03 -0.32670E-01 -0.24642E-01 5511 0.966E-01 0.117E+00 RMM: 3 -0.331813912607E+03 0.11872E-01 -0.17753E-02 5650 0.263E-01 0.232E-01 RMM: 4 -0.331813397483E+03 0.51512E-03 -0.13487E-03 4967 0.739E-02 0.113E-01 RMM: 5 -0.331813320548E+03 0.76935E-04 -0.17416E-04 4332 0.298E-02 0.830E-02 RMM: 6 -0.331813289659E+03 0.30890E-04 -0.27826E-05 2639 0.156E-02 0.633E-02 RMM: 7 -0.331813296652E+03 -0.69931E-05 -0.51955E-05 3207 0.199E-02 7301 T= 6246. E= 0.67564106E+03 F= 0.62445569E+03 E0= 0.65288336E+03 EK= 0.50865E+02 SP= 0.25E+00 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332789099448E+03 -0.97581E+00 -0.33048E-01 9000 0.229E+01 0.205E-01 RMM: 2 -0.332819835981E+03 -0.30737E-01 -0.25543E-01 5874 0.960E-01 0.962E-01 RMM: 3 -0.332811271702E+03 0.85643E-02 -0.16143E-02 5774 0.236E-01 0.189E-01 RMM: 4 -0.332810846633E+03 0.42507E-03 -0.10381E-03 4921 0.656E-02 0.108E-01 RMM: 5 -0.332810786105E+03 0.60528E-04 -0.13468E-04 4159 0.270E-02 0.794E-02 RMM: 6 -0.332810766821E+03 0.19284E-04 -0.27525E-05 2702 0.157E-02 7302 T= 6391. E= 0.67563870E+03 F= 0.62345822E+03 E0= 0.65187874E+03 EK= 0.52048E+02 SP= 0.56E-01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333600568995E+03 -0.78978E+00 -0.40039E-01 8896 0.232E+01 0.300E-01 RMM: 2 -0.333648054796E+03 -0.47486E-01 -0.30751E-01 5452 0.111E+00 0.164E+00 RMM: 3 -0.333626901888E+03 0.21153E-01 -0.22694E-02 5530 0.317E-01 0.302E-01 RMM: 4 -0.333626193945E+03 0.70794E-03 -0.21523E-03 5250 0.888E-02 0.118E-01 RMM: 5 -0.333626138592E+03 0.55352E-04 -0.24068E-04 4245 0.332E-02 0.101E-01 RMM: 6 -0.333626097000E+03 0.41592E-04 -0.41802E-05 3025 0.185E-02 0.759E-02 RMM: 7 -0.333626143348E+03 -0.46348E-04 -0.68685E-05 3537 0.224E-02 0.111E-01 RMM: 8 -0.333626077876E+03 0.65472E-04 -0.99239E-05 3883 0.231E-02 0.481E-02 RMM: 9 -0.333626071317E+03 0.65588E-05 -0.23088E-05 2627 0.136E-02 7303 T= 6515. E= 0.67563665E+03 F= 0.62264292E+03 E0= 0.65105795E+03 EK= 0.53056E+02 SP= -.14E+00 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334227092976E+03 -0.60102E+00 -0.39209E-01 8824 0.235E+01 0.337E-01 RMM: 2 -0.334270218769E+03 -0.43126E-01 -0.27090E-01 5709 0.100E+00 0.163E+00 RMM: 3 -0.334249868327E+03 0.20350E-01 -0.17875E-02 5487 0.287E-01 0.274E-01 RMM: 4 -0.334249544874E+03 0.32345E-03 -0.20932E-03 4994 0.970E-02 0.214E-01 RMM: 5 -0.334249403933E+03 0.14094E-03 -0.35823E-04 3930 0.450E-02 0.164E-01 RMM: 6 -0.334249232208E+03 0.17173E-03 -0.12228E-04 3840 0.309E-02 0.466E-02 RMM: 7 -0.334249264362E+03 -0.32154E-04 -0.44043E-05 3129 0.182E-02 0.816E-02 RMM: 8 -0.334249231791E+03 0.32571E-04 -0.32241E-05 2713 0.183E-02 0.325E-02 RMM: 9 -0.334249229803E+03 0.19875E-05 -0.12125E-05 2489 0.103E-02 7304 T= 6616. E= 0.67563538E+03 F= 0.62201976E+03 E0= 0.65043344E+03 EK= 0.53876E+02 SP= -.34E+00 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334655944767E+03 -0.40671E+00 -0.40686E-01 8824 0.237E+01 0.246E-01 RMM: 2 -0.334691029243E+03 -0.35084E-01 -0.26859E-01 5892 0.101E+00 0.119E+00 RMM: 3 -0.334679147834E+03 0.11881E-01 -0.14962E-02 5558 0.257E-01 0.212E-01 RMM: 4 -0.334678832383E+03 0.31545E-03 -0.13008E-03 4987 0.717E-02 0.121E-01 RMM: 5 -0.334678747227E+03 0.85156E-04 -0.16720E-04 4204 0.309E-02 0.835E-02 RMM: 6 -0.334678706198E+03 0.41030E-04 -0.32085E-05 2842 0.165E-02 0.476E-02 RMM: 7 -0.334678709601E+03 -0.34030E-05 -0.36785E-05 2781 0.180E-02 7305 T= 6693. E= 0.67563470E+03 F= 0.62159028E+03 E0= 0.65000965E+03 EK= 0.54501E+02 SP= -.53E+00 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334900633543E+03 -0.22193E+00 -0.39086E-01 8776 0.239E+01 0.169E-01 RMM: 2 -0.334927705411E+03 -0.27072E-01 -0.25107E-01 6260 0.970E-01 0.650E-01 RMM: 3 -0.334923096767E+03 0.46086E-02 -0.12920E-02 5742 0.213E-01 0.151E-01 RMM: 4 -0.334922832153E+03 0.26461E-03 -0.75965E-04 4850 0.571E-02 0.114E-01 RMM: 5 -0.334922748042E+03 0.84110E-04 -0.99753E-05 3697 0.272E-02 0.648E-02 RMM: 6 -0.334922743871E+03 0.41714E-05 -0.28485E-05 2655 0.156E-02 7306 T= 6746. E= 0.67563488E+03 F= 0.62134625E+03 E0= 0.64978054E+03 EK= 0.54936E+02 SP= -.71E+00 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334978645481E+03 -0.55897E-01 -0.37318E-01 8784 0.240E+01 0.268E-01 RMM: 2 -0.335015583009E+03 -0.36938E-01 -0.24967E-01 5652 0.100E+00 0.142E+00 RMM: 3 -0.335000311964E+03 0.15271E-01 -0.16468E-02 5504 0.279E-01 0.252E-01 RMM: 4 -0.334999852467E+03 0.45950E-03 -0.15214E-03 5051 0.770E-02 0.109E-01 RMM: 5 -0.334999806875E+03 0.45592E-04 -0.18475E-04 4150 0.321E-02 0.944E-02 RMM: 6 -0.334999759883E+03 0.46992E-04 -0.38689E-05 2980 0.180E-02 0.568E-02 RMM: 7 -0.334999788726E+03 -0.28843E-04 -0.48937E-05 3209 0.200E-02 0.886E-02 RMM: 8 -0.334999743178E+03 0.45549E-04 -0.52064E-05 3199 0.193E-02 0.376E-02 RMM: 9 -0.334999740159E+03 0.30191E-05 -0.17863E-05 2517 0.121E-02 7307 T= 6778. E= 0.67563547E+03 F= 0.62126925E+03 E0= 0.64972807E+03 EK= 0.55196E+02 SP= -.89E+00 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334915562837E+03 0.84180E-01 -0.32669E-01 8808 0.242E+01 0.297E-01 RMM: 2 -0.334953097763E+03 -0.37535E-01 -0.22349E-01 5553 0.946E-01 0.158E+00 RMM: 3 -0.334934164612E+03 0.18933E-01 -0.15042E-02 5451 0.274E-01 0.256E-01 RMM: 4 -0.334933821522E+03 0.34309E-03 -0.17101E-03 4887 0.866E-02 0.159E-01 RMM: 5 -0.334933750119E+03 0.71403E-04 -0.26282E-04 3953 0.375E-02 0.137E-01 RMM: 6 -0.334933628885E+03 0.12123E-03 -0.86242E-05 3588 0.264E-02 0.423E-02 RMM: 7 -0.334933644017E+03 -0.15131E-04 -0.30878E-05 2789 0.165E-02 7308 T= 6791. E= 0.67563679E+03 F= 0.62133535E+03 E0= 0.64982678E+03 EK= 0.55302E+02 SP= -.11E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334733747510E+03 0.19988E+00 -0.28475E-01 8888 0.242E+01 0.179E-01 RMM: 2 -0.334758474736E+03 -0.24727E-01 -0.20692E-01 5771 0.940E-01 0.854E-01 RMM: 3 -0.334751980306E+03 0.64944E-02 -0.12508E-02 5670 0.230E-01 0.158E-01 RMM: 4 -0.334751762057E+03 0.21825E-03 -0.84740E-04 5011 0.601E-02 0.105E-01 RMM: 5 -0.334751698823E+03 0.63234E-04 -0.10518E-04 3838 0.272E-02 0.750E-02 RMM: 6 -0.334751677226E+03 0.21596E-04 -0.30244E-05 2659 0.164E-02 0.581E-02 RMM: 7 -0.334751684754E+03 -0.75274E-05 -0.70791E-05 3595 0.216E-02 7309 T= 6789. E= 0.67563812E+03 F= 0.62151730E+03 E0= 0.65004816E+03 EK= 0.55282E+02 SP= -.12E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334465314378E+03 0.28636E+00 -0.23684E-01 8896 0.243E+01 0.195E-01 RMM: 2 -0.334487528833E+03 -0.22214E-01 -0.18029E-01 5506 0.882E-01 0.901E-01 RMM: 3 -0.334480709947E+03 0.68189E-02 -0.12193E-02 5878 0.223E-01 0.167E-01 RMM: 4 -0.334480451854E+03 0.25809E-03 -0.80638E-04 4798 0.619E-02 0.118E-01 RMM: 5 -0.334480369060E+03 0.82793E-04 -0.11923E-04 3812 0.277E-02 0.744E-02 RMM: 6 -0.334480341934E+03 0.27126E-04 -0.30929E-05 2838 0.166E-02 0.482E-02 RMM: 7 -0.334480351764E+03 -0.98296E-05 -0.31143E-05 2647 0.165E-02 7310 T= 6773. E= 0.67563896E+03 F= 0.62178864E+03 E0= 0.65036282E+03 EK= 0.55159E+02 SP= -.13E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334125327024E+03 0.35501E+00 -0.20696E-01 8896 0.242E+01 0.162E-01 RMM: 2 -0.334144843917E+03 -0.19517E-01 -0.17722E-01 5361 0.904E-01 0.651E-01 RMM: 3 -0.334140875057E+03 0.39689E-02 -0.13745E-02 6066 0.223E-01 0.139E-01 RMM: 4 -0.334140588366E+03 0.28669E-03 -0.66998E-04 4808 0.571E-02 0.111E-01 RMM: 5 -0.334140510156E+03 0.78210E-04 -0.95948E-05 3623 0.277E-02 0.650E-02 RMM: 6 -0.334140496364E+03 0.13792E-04 -0.28865E-05 2631 0.159E-02 7311 T= 6749. E= 0.67563970E+03 F= 0.62212849E+03 E0= 0.65074680E+03 EK= 0.54957E+02 SP= -.15E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333729158638E+03 0.41135E+00 -0.17202E-01 8576 0.242E+01 0.256E-01 RMM: 2 -0.333756904522E+03 -0.27746E-01 -0.16805E-01 5066 0.900E-01 0.136E+00 RMM: 3 -0.333743304540E+03 0.13600E-01 -0.16695E-02 5543 0.273E-01 0.240E-01 RMM: 4 -0.333742835550E+03 0.46899E-03 -0.14208E-03 5176 0.729E-02 0.906E-02 RMM: 5 -0.333742791110E+03 0.44439E-04 -0.14914E-04 3995 0.298E-02 0.852E-02 RMM: 6 -0.333742755533E+03 0.35578E-04 -0.31216E-05 2731 0.164E-02 0.600E-02 RMM: 7 -0.333742773153E+03 -0.17620E-04 -0.37477E-05 2963 0.181E-02 7312 T= 6715. E= 0.67563956E+03 F= 0.62252622E+03 E0= 0.65118622E+03 EK= 0.54686E+02 SP= -.16E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333277240304E+03 0.46552E+00 -0.14367E-01 8352 0.242E+01 0.271E-01 RMM: 2 -0.333303048225E+03 -0.25808E-01 -0.12973E-01 5038 0.811E-01 0.147E+00 RMM: 3 -0.333287828057E+03 0.15220E-01 -0.13797E-02 5445 0.259E-01 0.277E-01 RMM: 4 -0.333287302445E+03 0.52561E-03 -0.14700E-03 4785 0.807E-02 0.113E-01 RMM: 5 -0.333287300716E+03 0.17291E-05 -0.21436E-04 3919 0.360E-02 0.121E-01 RMM: 6 -0.333287203821E+03 0.96895E-04 -0.57364E-05 3295 0.220E-02 0.360E-02 RMM: 7 -0.333287206310E+03 -0.24889E-05 -0.19908E-05 2551 0.139E-02 7313 T= 6674. E= 0.67563911E+03 F= 0.62298178E+03 E0= 0.65167863E+03 EK= 0.54347E+02 SP= -.17E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332754639772E+03 0.53256E+00 -0.13493E-01 7936 0.241E+01 0.232E-01 RMM: 2 -0.332777407429E+03 -0.22768E-01 -0.13768E-01 4930 0.845E-01 0.125E+00 RMM: 3 -0.332766290096E+03 0.11117E-01 -0.15056E-02 5682 0.248E-01 0.221E-01 RMM: 4 -0.332765833407E+03 0.45669E-03 -0.10773E-03 4869 0.685E-02 0.905E-02 RMM: 5 -0.332765791094E+03 0.42313E-04 -0.14708E-04 3967 0.297E-02 0.793E-02 RMM: 6 -0.332765754303E+03 0.36791E-04 -0.30171E-05 2713 0.161E-02 0.489E-02 RMM: 7 -0.332765758105E+03 -0.38021E-05 -0.22188E-05 2549 0.144E-02 7314 T= 6623. E= 0.67563924E+03 F= 0.62350323E+03 E0= 0.65222994E+03 EK= 0.53936E+02 SP= -.18E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332163274708E+03 0.60248E+00 -0.11842E-01 7928 0.240E+01 0.195E-01 RMM: 2 -0.332177246702E+03 -0.13972E-01 -0.97250E-02 4908 0.729E-01 0.907E-01 RMM: 3 -0.332171374681E+03 0.58720E-02 -0.10700E-02 5684 0.213E-01 0.189E-01 RMM: 4 -0.332171085934E+03 0.28875E-03 -0.73702E-04 4820 0.578E-02 0.868E-02 RMM: 5 -0.332171048833E+03 0.37101E-04 -0.10352E-04 3718 0.271E-02 0.762E-02 RMM: 6 -0.332171016395E+03 0.32438E-04 -0.27060E-05 2634 0.157E-02 0.398E-02 RMM: 7 -0.332171017940E+03 -0.15454E-05 -0.17739E-05 2510 0.131E-02 7315 T= 6563. E= 0.67563915E+03 F= 0.62409797E+03 E0= 0.65284666E+03 EK= 0.53445E+02 SP= -.19E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331490664867E+03 0.68035E+00 -0.12302E-01 7632 0.239E+01 0.181E-01 RMM: 2 -0.331504420842E+03 -0.13756E-01 -0.11169E-01 4830 0.788E-01 0.772E-01 RMM: 3 -0.331500162940E+03 0.42579E-02 -0.12619E-02 5886 0.217E-01 0.151E-01 RMM: 4 -0.331499889427E+03 0.27351E-03 -0.68819E-04 4822 0.579E-02 0.105E-01 RMM: 5 -0.331499821244E+03 0.68183E-04 -0.10107E-04 3703 0.274E-02 0.734E-02 RMM: 6 -0.331499790926E+03 0.30318E-04 -0.27566E-05 2580 0.157E-02 0.419E-02 RMM: 7 -0.331499789168E+03 0.17575E-05 -0.21102E-05 2511 0.141E-02 7316 T= 6493. E= 0.67564004E+03 F= 0.62476920E+03 E0= 0.65353196E+03 EK= 0.52875E+02 SP= -.20E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330754705004E+03 0.74509E+00 -0.11366E-01 7656 0.239E+01 0.193E-01 RMM: 2 -0.330767868245E+03 -0.13163E-01 -0.88102E-02 4896 0.707E-01 0.915E-01 RMM: 3 -0.330762026655E+03 0.58416E-02 -0.10327E-02 5675 0.209E-01 0.176E-01 RMM: 4 -0.330761753167E+03 0.27349E-03 -0.69095E-04 4833 0.553E-02 0.808E-02 RMM: 5 -0.330761713905E+03 0.39262E-04 -0.90197E-05 3662 0.260E-02 0.704E-02 RMM: 6 -0.330761688302E+03 0.25604E-04 -0.24509E-05 2567 0.148E-02 0.453E-02 RMM: 7 -0.330761688422E+03 -0.11986E-06 -0.18981E-05 2513 0.133E-02 7317 T= 6415. E= 0.67564243E+03 F= 0.62550730E+03 E0= 0.65427704E+03 EK= 0.52239E+02 SP= -.21E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329976817975E+03 0.78487E+00 -0.11224E-01 7864 0.238E+01 0.204E-01 RMM: 2 -0.329990294464E+03 -0.13476E-01 -0.83542E-02 4924 0.682E-01 0.983E-01 RMM: 3 -0.329983590199E+03 0.67043E-02 -0.97345E-03 5593 0.210E-01 0.193E-01 RMM: 4 -0.329983308951E+03 0.28125E-03 -0.74612E-04 4774 0.564E-02 0.822E-02 RMM: 5 -0.329983277453E+03 0.31498E-04 -0.98738E-05 3698 0.266E-02 0.769E-02 RMM: 6 -0.329983240943E+03 0.36510E-04 -0.25597E-05 2609 0.153E-02 0.397E-02 RMM: 7 -0.329983239449E+03 0.14943E-05 -0.15153E-05 2487 0.122E-02 7318 T= 6332. E= 0.67564505E+03 F= 0.62628575E+03 E0= 0.65505615E+03 EK= 0.51565E+02 SP= -.22E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329194238099E+03 0.78900E+00 -0.11376E-01 7752 0.237E+01 0.202E-01 RMM: 2 -0.329208835857E+03 -0.14598E-01 -0.89871E-02 4855 0.708E-01 0.101E+00 RMM: 3 -0.329201710214E+03 0.71256E-02 -0.10749E-02 5579 0.219E-01 0.208E-01 RMM: 4 -0.329201367738E+03 0.34248E-03 -0.81619E-04 4848 0.583E-02 0.725E-02 RMM: 5 -0.329201341321E+03 0.26418E-04 -0.10009E-04 3715 0.275E-02 0.716E-02 RMM: 6 -0.329201310358E+03 0.30963E-04 -0.24830E-05 2571 0.147E-02 0.431E-02 RMM: 7 -0.329201309004E+03 0.13542E-05 -0.15912E-05 2495 0.125E-02 7319 T= 6250. E= 0.67564829E+03 F= 0.62706768E+03 E0= 0.65583439E+03 EK= 0.50892E+02 SP= -.23E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328455646799E+03 0.74566E+00 -0.10903E-01 7744 0.237E+01 0.232E-01 RMM: 2 -0.328471297066E+03 -0.15650E-01 -0.81407E-02 4911 0.678E-01 0.115E+00 RMM: 3 -0.328461984082E+03 0.93130E-02 -0.10285E-02 5447 0.230E-01 0.218E-01 RMM: 4 -0.328461657808E+03 0.32627E-03 -0.93870E-04 4804 0.606E-02 0.786E-02 RMM: 5 -0.328461635230E+03 0.22577E-04 -0.11154E-04 3785 0.286E-02 0.789E-02 RMM: 6 -0.328461593867E+03 0.41363E-04 -0.26336E-05 2637 0.154E-02 0.377E-02 RMM: 7 -0.328461592855E+03 0.10126E-05 -0.15891E-05 2491 0.128E-02 7320 T= 6173. E= 0.67565182E+03 F= 0.62780740E+03 E0= 0.65656705E+03 EK= 0.50271E+02 SP= -.25E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327805026774E+03 0.65657E+00 -0.10211E-01 7592 0.236E+01 0.216E-01 RMM: 2 -0.327820618016E+03 -0.15591E-01 -0.75735E-02 4933 0.648E-01 0.117E+00 RMM: 3 -0.327811201566E+03 0.94164E-02 -0.93496E-03 5470 0.214E-01 0.238E-01 RMM: 4 -0.327810783566E+03 0.41800E-03 -0.89108E-04 4680 0.633E-02 0.787E-02 RMM: 5 -0.327810765592E+03 0.17975E-04 -0.12231E-04 3849 0.285E-02 7321 T= 6109. E= 0.67565574E+03 F= 0.62845822E+03 E0= 0.65720902E+03 EK= 0.49748E+02 SP= -.26E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327279340855E+03 0.53144E+00 -0.10433E-01 7608 0.235E+01 0.146E-01 RMM: 2 -0.327291039199E+03 -0.11698E-01 -0.83501E-02 5020 0.657E-01 0.787E-01 RMM: 3 -0.327286512860E+03 0.45263E-02 -0.88100E-03 5642 0.185E-01 0.163E-01 RMM: 4 -0.327286283086E+03 0.22977E-03 -0.51777E-04 4774 0.471E-02 0.844E-02 RMM: 5 -0.327286233764E+03 0.49322E-04 -0.56756E-05 3170 0.220E-02 0.754E-02 RMM: 6 -0.327286213185E+03 0.20578E-04 -0.32006E-05 2660 0.169E-02 0.709E-02 RMM: 7 -0.327286251720E+03 -0.38534E-04 -0.14225E-04 3895 0.276E-02 0.125E-01 RMM: 8 -0.327286150507E+03 0.10121E-03 -0.11035E-04 3890 0.240E-02 0.321E-02 RMM: 9 -0.327286145722E+03 0.47845E-05 -0.14781E-05 2519 0.108E-02 7322 T= 6062. E= 0.67565839E+03 F= 0.62898284E+03 E0= 0.65772463E+03 EK= 0.49364E+02 SP= -.27E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326902905585E+03 0.38324E+00 -0.10534E-01 7472 0.235E+01 0.209E-01 RMM: 2 -0.326913033552E+03 -0.10128E-01 -0.80284E-02 4840 0.672E-01 0.739E-01 RMM: 3 -0.326909209117E+03 0.38244E-02 -0.90367E-03 5697 0.190E-01 0.167E-01 RMM: 4 -0.326909270575E+03 -0.61458E-04 -0.79586E-04 4646 0.664E-02 0.227E-01 RMM: 5 -0.326908970709E+03 0.29987E-03 -0.20150E-04 3886 0.379E-02 0.938E-02 RMM: 6 -0.326908915128E+03 0.55580E-04 -0.44636E-05 3135 0.205E-02 0.255E-02 RMM: 7 -0.326908925285E+03 -0.10156E-04 -0.18098E-05 2517 0.131E-02 7323 T= 6034. E= 0.67565913E+03 F= 0.62936006E+03 E0= 0.65809386E+03 EK= 0.49140E+02 SP= -.29E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326674372552E+03 0.23454E+00 -0.10510E-01 7584 0.234E+01 0.159E-01 RMM: 2 -0.326684216605E+03 -0.98441E-02 -0.68943E-02 5123 0.624E-01 0.766E-01 RMM: 3 -0.326680136524E+03 0.40801E-02 -0.71408E-03 5759 0.166E-01 0.157E-01 RMM: 4 -0.326679910195E+03 0.22633E-03 -0.44965E-04 4486 0.481E-02 0.751E-02 RMM: 5 -0.326679865893E+03 0.44301E-04 -0.60554E-05 3393 0.211E-02 0.536E-02 RMM: 6 -0.326679854201E+03 0.11693E-04 -0.20489E-05 2527 0.138E-02 7324 T= 6027. E= 0.67565879E+03 F= 0.62958914E+03 E0= 0.65831682E+03 EK= 0.49079E+02 SP= -.31E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326568238555E+03 0.11163E+00 -0.11005E-01 7496 0.233E+01 0.217E-01 RMM: 2 -0.326584710460E+03 -0.16472E-01 -0.91451E-02 4906 0.712E-01 0.113E+00 RMM: 3 -0.326575873972E+03 0.88365E-02 -0.10783E-02 5469 0.222E-01 0.202E-01 RMM: 4 -0.326575568930E+03 0.30504E-03 -0.88083E-04 4833 0.597E-02 0.798E-02 RMM: 5 -0.326575530205E+03 0.38725E-04 -0.10021E-04 3869 0.259E-02 0.693E-02 RMM: 6 -0.326575507291E+03 0.22914E-04 -0.23000E-05 2559 0.141E-02 0.517E-02 RMM: 7 -0.326575515708E+03 -0.84172E-05 -0.35796E-05 2886 0.174E-02 7325 T= 6037. E= 0.67565655E+03 F= 0.62969347E+03 E0= 0.65841763E+03 EK= 0.49158E+02 SP= -.33E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326544840476E+03 0.30667E-01 -0.10610E-01 7696 0.233E+01 0.255E-01 RMM: 2 -0.326561817697E+03 -0.16977E-01 -0.88873E-02 4963 0.716E-01 0.121E+00 RMM: 3 -0.326551906707E+03 0.99110E-02 -0.10719E-02 5478 0.229E-01 0.281E-01 RMM: 4 -0.326551377269E+03 0.52944E-03 -0.12571E-03 4681 0.787E-02 0.118E-01 RMM: 5 -0.326551379370E+03 -0.21008E-05 -0.20251E-04 3882 0.356E-02 0.127E-01 RMM: 6 -0.326551273327E+03 0.10604E-03 -0.59402E-05 3345 0.230E-02 0.341E-02 RMM: 7 -0.326551275220E+03 -0.18927E-05 -0.18763E-05 2535 0.131E-02 7326 T= 6058. E= 0.67565386E+03 F= 0.62971771E+03 E0= 0.65844165E+03 EK= 0.49334E+02 SP= -.35E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326547760928E+03 0.35124E-02 -0.10747E-01 7960 0.233E+01 0.263E-01 RMM: 2 -0.326568614839E+03 -0.20854E-01 -0.10109E-01 5137 0.735E-01 0.139E+00 RMM: 3 -0.326555651029E+03 0.12964E-01 -0.12239E-02 5514 0.244E-01 0.209E-01 RMM: 4 -0.326555334995E+03 0.31603E-03 -0.11397E-03 4901 0.651E-02 0.103E-01 RMM: 5 -0.326555267806E+03 0.67189E-04 -0.12411E-04 3867 0.293E-02 0.812E-02 RMM: 6 -0.326555228462E+03 0.39344E-04 -0.29830E-05 2763 0.163E-02 0.486E-02 RMM: 7 -0.326555228606E+03 -0.14339E-06 -0.22607E-05 2564 0.142E-02 7327 T= 6085. E= 0.67565132E+03 F= 0.62971376E+03 E0= 0.65844057E+03 EK= 0.49554E+02 SP= -.37E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326528459749E+03 0.26769E-01 -0.11087E-01 8224 0.232E+01 0.211E-01 RMM: 2 -0.326543835713E+03 -0.15376E-01 -0.10079E-01 5080 0.720E-01 0.100E+00 RMM: 3 -0.326536688515E+03 0.71472E-02 -0.11079E-02 5622 0.220E-01 0.185E-01 RMM: 4 -0.326536405415E+03 0.28310E-03 -0.87144E-04 4991 0.582E-02 0.892E-02 RMM: 5 -0.326536361320E+03 0.44095E-04 -0.96835E-05 3730 0.264E-02 0.704E-02 RMM: 6 -0.326536336145E+03 0.25174E-04 -0.22946E-05 2579 0.143E-02 0.476E-02 RMM: 7 -0.326536337424E+03 -0.12789E-05 -0.18242E-05 2523 0.133E-02 7328 T= 6111. E= 0.67564894E+03 F= 0.62973265E+03 E0= 0.65846485E+03 EK= 0.49768E+02 SP= -.40E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326438873878E+03 0.97462E-01 -0.11373E-01 8192 0.232E+01 0.228E-01 RMM: 2 -0.326457393289E+03 -0.18519E-01 -0.12250E-01 5002 0.793E-01 0.110E+00 RMM: 3 -0.326449009410E+03 0.83839E-02 -0.13988E-02 5759 0.235E-01 0.180E-01 RMM: 4 -0.326448694836E+03 0.31457E-03 -0.96839E-04 4872 0.648E-02 0.117E-01 RMM: 5 -0.326448620103E+03 0.74733E-04 -0.13037E-04 3839 0.292E-02 0.837E-02 RMM: 6 -0.326448578284E+03 0.41819E-04 -0.33209E-05 2869 0.174E-02 0.449E-02 RMM: 7 -0.326448578577E+03 -0.29338E-06 -0.21473E-05 2564 0.140E-02 7329 T= 6131. E= 0.67564693E+03 F= 0.62982041E+03 E0= 0.65855992E+03 EK= 0.49928E+02 SP= -.43E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326242811347E+03 0.20577E+00 -0.12212E-01 8472 0.232E+01 0.184E-01 RMM: 2 -0.326259628459E+03 -0.16817E-01 -0.13406E-01 5057 0.808E-01 0.840E-01 RMM: 3 -0.326254255695E+03 0.53728E-02 -0.14059E-02 5892 0.221E-01 0.164E-01 RMM: 4 -0.326253903018E+03 0.35268E-03 -0.76380E-04 5043 0.574E-02 0.910E-02 RMM: 5 -0.326253852258E+03 0.50760E-04 -0.92046E-05 3728 0.261E-02 0.687E-02 RMM: 6 -0.326253831734E+03 0.20524E-04 -0.23360E-05 2565 0.144E-02 0.518E-02 RMM: 7 -0.326253831587E+03 0.14750E-06 -0.29799E-05 2649 0.157E-02 7330 T= 6139. E= 0.67564525E+03 F= 0.63001516E+03 E0= 0.65876281E+03 EK= 0.49995E+02 SP= -.45E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325912434123E+03 0.34140E+00 -0.12955E-01 8344 0.232E+01 0.180E-01 RMM: 2 -0.325929438974E+03 -0.17005E-01 -0.13709E-01 4989 0.816E-01 0.827E-01 RMM: 3 -0.325924006775E+03 0.54322E-02 -0.13901E-02 6022 0.221E-01 0.151E-01 RMM: 4 -0.325923687221E+03 0.31955E-03 -0.69620E-04 4863 0.582E-02 0.995E-02 RMM: 5 -0.325923632403E+03 0.54818E-04 -0.97215E-05 3664 0.269E-02 0.708E-02 RMM: 6 -0.325923605904E+03 0.26500E-04 -0.26642E-05 2589 0.157E-02 0.425E-02 RMM: 7 -0.325923607615E+03 -0.17113E-05 -0.20559E-05 2558 0.136E-02 7331 T= 6133. E= 0.67564392E+03 F= 0.63034538E+03 E0= 0.65910127E+03 EK= 0.49940E+02 SP= -.48E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325431927548E+03 0.49168E+00 -0.13254E-01 8664 0.232E+01 0.162E-01 RMM: 2 -0.325446897603E+03 -0.14970E-01 -0.12693E-01 5159 0.760E-01 0.713E-01 RMM: 3 -0.325442486426E+03 0.44112E-02 -0.11629E-02 6089 0.203E-01 0.148E-01 RMM: 4 -0.325442198223E+03 0.28820E-03 -0.56301E-04 4723 0.519E-02 0.910E-02 RMM: 5 -0.325442143161E+03 0.55062E-04 -0.75984E-05 3527 0.244E-02 0.647E-02 RMM: 6 -0.325442124262E+03 0.18899E-04 -0.23528E-05 2560 0.147E-02 7332 T= 6109. E= 0.67564428E+03 F= 0.63082687E+03 E0= 0.65958976E+03 EK= 0.49748E+02 SP= -.51E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324810121659E+03 0.63202E+00 -0.13749E-01 8752 0.232E+01 0.211E-01 RMM: 2 -0.324830342440E+03 -0.20221E-01 -0.12672E-01 5274 0.749E-01 0.113E+00 RMM: 3 -0.324820368149E+03 0.99743E-02 -0.11830E-02 5558 0.225E-01 0.229E-01 RMM: 4 -0.324819920367E+03 0.44778E-03 -0.95904E-04 4909 0.631E-02 0.813E-02 RMM: 5 -0.324819880934E+03 0.39434E-04 -0.10567E-04 3859 0.253E-02 0.717E-02 RMM: 6 -0.324819858838E+03 0.22095E-04 -0.22561E-05 2567 0.139E-02 0.607E-02 RMM: 7 -0.324819870711E+03 -0.11873E-04 -0.40379E-05 2957 0.182E-02 7333 T= 6070. E= 0.67564612E+03 F= 0.63144912E+03 E0= 0.66021837E+03 EK= 0.49430E+02 SP= -.55E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324093122804E+03 0.72674E+00 -0.14096E-01 8824 0.232E+01 0.273E-01 RMM: 2 -0.324116801624E+03 -0.23679E-01 -0.12901E-01 5227 0.780E-01 0.136E+00 RMM: 3 -0.324103239597E+03 0.13562E-01 -0.13295E-02 5540 0.248E-01 0.268E-01 RMM: 4 -0.324102723899E+03 0.51570E-03 -0.13474E-03 4752 0.782E-02 0.122E-01 RMM: 5 -0.324102707811E+03 0.16088E-04 -0.20360E-04 3900 0.351E-02 0.123E-01 RMM: 6 -0.324102612128E+03 0.95683E-04 -0.57444E-05 3288 0.225E-02 0.420E-02 RMM: 7 -0.324102616445E+03 -0.43164E-05 -0.20459E-05 2543 0.138E-02 7334 T= 6021. E= 0.67565185E+03 F= 0.63216637E+03 E0= 0.66093972E+03 EK= 0.49033E+02 SP= -.58E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323370494482E+03 0.73212E+00 -0.15030E-01 8528 0.231E+01 0.282E-01 RMM: 2 -0.323398077884E+03 -0.27583E-01 -0.15715E-01 5232 0.876E-01 0.142E+00 RMM: 3 -0.323383318563E+03 0.14759E-01 -0.16728E-02 5571 0.272E-01 0.296E-01 RMM: 4 -0.323382613862E+03 0.70470E-03 -0.14702E-03 4916 0.788E-02 0.108E-01 RMM: 5 -0.323382548583E+03 0.65279E-04 -0.18061E-04 3938 0.328E-02 0.945E-02 RMM: 6 -0.323382498250E+03 0.50333E-04 -0.39386E-05 3007 0.185E-02 0.608E-02 RMM: 7 -0.323382500729E+03 -0.24782E-05 -0.32406E-05 2663 0.166E-02 7335 T= 5974. E= 0.67566021E+03 F= 0.63288649E+03 E0= 0.66166295E+03 EK= 0.48651E+02 SP= -.61E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322775583771E+03 0.60691E+00 -0.13980E-01 8688 0.229E+01 0.291E-01 RMM: 2 -0.322800754713E+03 -0.25171E-01 -0.13261E-01 5299 0.820E-01 0.142E+00 RMM: 3 -0.322786004248E+03 0.14750E-01 -0.14680E-02 5473 0.266E-01 0.256E-01 RMM: 4 -0.322785527215E+03 0.47703E-03 -0.13918E-03 4944 0.734E-02 0.108E-01 RMM: 5 -0.322785482032E+03 0.45184E-04 -0.16297E-04 3876 0.334E-02 0.101E-01 RMM: 6 -0.322785421616E+03 0.60416E-04 -0.41741E-05 3057 0.193E-02 0.528E-02 RMM: 7 -0.322785429693E+03 -0.80773E-05 -0.27113E-05 2610 0.158E-02 7336 T= 5944. E= 0.67566828E+03 F= 0.63348356E+03 E0= 0.66226091E+03 EK= 0.48407E+02 SP= -.65E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322421623643E+03 0.36380E+00 -0.12768E-01 8112 0.229E+01 0.276E-01 RMM: 2 -0.322444941890E+03 -0.23318E-01 -0.12793E-01 5115 0.828E-01 0.135E+00 RMM: 3 -0.322432164467E+03 0.12777E-01 -0.15262E-02 5513 0.263E-01 0.287E-01 RMM: 4 -0.322431538402E+03 0.62606E-03 -0.13927E-03 4821 0.770E-02 0.105E-01 RMM: 5 -0.322431498301E+03 0.40101E-04 -0.18544E-04 3916 0.336E-02 0.998E-02 RMM: 6 -0.322431437205E+03 0.61096E-04 -0.42226E-05 3064 0.194E-02 0.499E-02 RMM: 7 -0.322431438564E+03 -0.13592E-05 -0.21828E-05 2549 0.142E-02 7337 T= 5946. E= 0.67567323E+03 F= 0.63383755E+03 E0= 0.66261471E+03 EK= 0.48423E+02 SP= -.69E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322377268538E+03 0.54169E-01 -0.11764E-01 7816 0.230E+01 0.234E-01 RMM: 2 -0.322395142070E+03 -0.17874E-01 -0.10748E-01 5048 0.765E-01 0.113E+00 RMM: 3 -0.322385967965E+03 0.91741E-02 -0.12223E-02 5473 0.236E-01 0.209E-01 RMM: 4 -0.322385637933E+03 0.33003E-03 -0.10294E-03 4997 0.633E-02 0.818E-02 RMM: 5 -0.322385621557E+03 0.16376E-04 -0.12606E-04 3829 0.297E-02 7338 T= 5988. E= 0.67567326E+03 F= 0.63388337E+03 E0= 0.66265795E+03 EK= 0.48762E+02 SP= -.73E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322622086945E+03 -0.23645E+00 -0.11613E-01 8000 0.232E+01 0.144E-01 RMM: 2 -0.322634017332E+03 -0.11930E-01 -0.10082E-01 5052 0.723E-01 0.636E-01 RMM: 3 -0.322630866041E+03 0.31513E-02 -0.10198E-02 5808 0.189E-01 0.154E-01 RMM: 4 -0.322630598827E+03 0.26721E-03 -0.50226E-04 4503 0.498E-02 0.940E-02 RMM: 5 -0.322630543708E+03 0.55119E-04 -0.71835E-05 3484 0.244E-02 0.733E-02 RMM: 6 -0.322630530563E+03 0.13145E-04 -0.33667E-05 2708 0.172E-02 7339 T= 6067. E= 0.67566900E+03 F= 0.63363846E+03 E0= 0.66240827E+03 EK= 0.49410E+02 SP= -.78E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323078098776E+03 -0.44756E+00 -0.12253E-01 8648 0.235E+01 0.355E-01 RMM: 2 -0.323115685813E+03 -0.37587E-01 -0.10665E-01 5010 0.783E-01 0.207E+00 RMM: 3 -0.323086053243E+03 0.29633E-01 -0.16654E-02 5364 0.312E-01 0.340E-01 RMM: 4 -0.323085264716E+03 0.78853E-03 -0.20093E-03 4984 0.902E-02 0.112E-01 RMM: 5 -0.323085246021E+03 0.18695E-04 -0.24418E-04 3901 0.377E-02 0.118E-01 RMM: 6 -0.323085158657E+03 0.87364E-04 -0.59273E-05 3324 0.226E-02 0.512E-02 RMM: 7 -0.323085159899E+03 -0.12420E-05 -0.26249E-05 2593 0.156E-02 7340 T= 6175. E= 0.67566258E+03 F= 0.63318383E+03 E0= 0.66194688E+03 EK= 0.50287E+02 SP= -.82E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323636564911E+03 -0.55141E+00 -0.13897E-01 8912 0.238E+01 0.336E-01 RMM: 2 -0.323673903381E+03 -0.37338E-01 -0.12484E-01 5303 0.818E-01 0.199E+00 RMM: 3 -0.323646207694E+03 0.27696E-01 -0.15800E-02 5375 0.298E-01 0.334E-01 RMM: 4 -0.323645434418E+03 0.77328E-03 -0.19422E-03 4910 0.921E-02 0.128E-01 RMM: 5 -0.323645365986E+03 0.68432E-04 -0.23561E-04 3931 0.366E-02 0.121E-01 RMM: 6 -0.323645275681E+03 0.90305E-04 -0.57588E-05 3308 0.226E-02 0.602E-02 RMM: 7 -0.323645276908E+03 -0.12277E-05 -0.32588E-05 2695 0.164E-02 7341 T= 6298. E= 0.67565662E+03 F= 0.63262371E+03 E0= 0.66137634E+03 EK= 0.51291E+02 SP= -.87E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324208800251E+03 -0.56352E+00 -0.15581E-01 9016 0.241E+01 0.270E-01 RMM: 2 -0.324236032043E+03 -0.27232E-01 -0.12937E-01 5357 0.807E-01 0.155E+00 RMM: 3 -0.324219272749E+03 0.16759E-01 -0.13054E-02 5402 0.258E-01 0.273E-01 RMM: 4 -0.324218770272E+03 0.50248E-03 -0.14066E-03 4896 0.740E-02 0.107E-01 RMM: 5 -0.324218704366E+03 0.65906E-04 -0.14752E-04 3903 0.312E-02 0.918E-02 RMM: 6 -0.324218664679E+03 0.39687E-04 -0.30418E-05 2666 0.166E-02 0.686E-02 RMM: 7 -0.324218665238E+03 -0.55872E-06 -0.35518E-05 2818 0.178E-02 7342 T= 6425. E= 0.67565223E+03 F= 0.63205032E+03 E0= 0.66079083E+03 EK= 0.52326E+02 SP= -.92E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324728271101E+03 -0.50961E+00 -0.15936E-01 9096 0.243E+01 0.226E-01 RMM: 2 -0.324747391110E+03 -0.19120E-01 -0.13394E-01 5418 0.802E-01 0.106E+00 RMM: 3 -0.324739126349E+03 0.82648E-02 -0.11475E-02 5759 0.219E-01 0.216E-01 RMM: 4 -0.324738768660E+03 0.35769E-03 -0.95165E-04 4734 0.670E-02 0.124E-01 RMM: 5 -0.324738662006E+03 0.10665E-03 -0.14059E-04 3878 0.292E-02 0.910E-02 RMM: 6 -0.324738625799E+03 0.36207E-04 -0.30344E-05 2747 0.170E-02 0.619E-02 RMM: 7 -0.324738620650E+03 0.51488E-05 -0.33780E-05 2700 0.166E-02 7343 T= 6548. E= 0.67564930E+03 F= 0.63153037E+03 E0= 0.66025547E+03 EK= 0.53320E+02 SP= -.97E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325152458125E+03 -0.41383E+00 -0.17192E-01 8992 0.245E+01 0.206E-01 RMM: 2 -0.325171969360E+03 -0.19511E-01 -0.14494E-01 5355 0.815E-01 0.989E-01 RMM: 3 -0.325164368306E+03 0.76011E-02 -0.11889E-02 5927 0.215E-01 0.192E-01 RMM: 4 -0.325164035849E+03 0.33246E-03 -0.81028E-04 4744 0.621E-02 0.114E-01 RMM: 5 -0.325163948341E+03 0.87508E-04 -0.11767E-04 3786 0.273E-02 0.811E-02 RMM: 6 -0.325163922775E+03 0.25566E-04 -0.27840E-05 2665 0.159E-02 0.635E-02 RMM: 7 -0.325163922781E+03 -0.57335E-08 -0.46461E-05 2958 0.184E-02 7344 T= 6659. E= 0.67564741E+03 F= 0.63110507E+03 E0= 0.65981363E+03 EK= 0.54228E+02 SP= -.10E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325463689785E+03 -0.29977E+00 -0.18406E-01 9064 0.246E+01 0.210E-01 RMM: 2 -0.325482075566E+03 -0.18386E-01 -0.14595E-01 5376 0.819E-01 0.898E-01 RMM: 3 -0.325475576300E+03 0.64993E-02 -0.11544E-02 5989 0.216E-01 0.181E-01 RMM: 4 -0.325475301389E+03 0.27491E-03 -0.78480E-04 4834 0.595E-02 0.118E-01 RMM: 5 -0.325475212793E+03 0.88596E-04 -0.11439E-04 3763 0.270E-02 0.823E-02 RMM: 6 -0.325475180684E+03 0.32110E-04 -0.31258E-05 2830 0.169E-02 0.541E-02 RMM: 7 -0.325475185949E+03 -0.52651E-05 -0.36953E-05 2746 0.170E-02 7345 T= 6757. E= 0.67564690E+03 F= 0.63079380E+03 E0= 0.65948399E+03 EK= 0.55025E+02 SP= -.11E+02 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325662712686E+03 -0.18753E+00 -0.19497E-01 9064 0.247E+01 0.203E-01 RMM: 2 -0.325682272274E+03 -0.19560E-01 -0.15754E-01 5294 0.850E-01 0.888E-01 RMM: 3 -0.325676031183E+03 0.62411E-02 -0.12902E-02 5983 0.224E-01 0.188E-01 RMM: 4 -0.325675682661E+03 0.34852E-03 -0.79032E-04 4739 0.617E-02 0.113E-01 RMM: 5 -0.325675609329E+03 0.73332E-04 -0.12248E-04 3777 0.285E-02 0.806E-02 RMM: 6 -0.325675577463E+03 0.31866E-04 -0.33532E-05 2903 0.175E-02 0.529E-02 RMM: 7 -0.325675589069E+03 -0.11607E-04 -0.37233E-05 2709 0.173E-02 7346 T= 6841. E= 0.67564762E+03 F= 0.63059340E+03 E0= 0.65926574E+03 EK= 0.55708E+02 SP= -.11E+02 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325776677837E+03 -0.10110E+00 -0.20203E-01 8768 0.248E+01 0.218E-01 RMM: 2 -0.325797731792E+03 -0.21054E-01 -0.16106E-01 5386 0.870E-01 0.973E-01 RMM: 3 -0.325790251234E+03 0.74806E-02 -0.12627E-02 5743 0.234E-01 0.216E-01 RMM: 4 -0.325789878502E+03 0.37273E-03 -0.92218E-04 4922 0.633E-02 0.990E-02 RMM: 5 -0.325789831214E+03 0.47288E-04 -0.12543E-04 3813 0.294E-02 0.835E-02 RMM: 6 -0.325789795086E+03 0.36128E-04 -0.34855E-05 2948 0.175E-02 0.540E-02 RMM: 7 -0.325789808078E+03 -0.12992E-04 -0.38704E-05 2811 0.181E-02 7347 T= 6913. E= 0.67564904E+03 F= 0.63047918E+03 E0= 0.65913380E+03 EK= 0.56297E+02 SP= -.12E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325839793173E+03 -0.49998E-01 -0.20196E-01 8568 0.248E+01 0.222E-01 RMM: 2 -0.325861699078E+03 -0.21906E-01 -0.16013E-01 5415 0.880E-01 0.105E+00 RMM: 3 -0.325853245579E+03 0.84535E-02 -0.12637E-02 5686 0.239E-01 0.216E-01 RMM: 4 -0.325852876654E+03 0.36892E-03 -0.94100E-04 4852 0.652E-02 0.983E-02 RMM: 5 -0.325852836788E+03 0.39866E-04 -0.13131E-04 3844 0.301E-02 0.904E-02 RMM: 6 -0.325852793103E+03 0.43685E-04 -0.37144E-05 2983 0.182E-02 0.522E-02 RMM: 7 -0.325852804113E+03 -0.11010E-04 -0.27875E-05 2603 0.157E-02 7348 T= 6978. E= 0.67565023E+03 F= 0.63041619E+03 E0= 0.65905602E+03 EK= 0.56823E+02 SP= -.12E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325878065792E+03 -0.25273E-01 -0.18635E-01 8504 0.249E+01 0.212E-01 RMM: 2 -0.325898122491E+03 -0.20057E-01 -0.14697E-01 5453 0.831E-01 0.982E-01 RMM: 3 -0.325890291953E+03 0.78305E-02 -0.11626E-02 5556 0.232E-01 0.224E-01 RMM: 4 -0.325889937592E+03 0.35436E-03 -0.93943E-04 4945 0.626E-02 0.965E-02 RMM: 5 -0.325889891075E+03 0.46518E-04 -0.11715E-04 3768 0.295E-02 0.815E-02 RMM: 6 -0.325889854981E+03 0.36093E-04 -0.31895E-05 2848 0.169E-02 0.539E-02 RMM: 7 -0.325889864396E+03 -0.94148E-05 -0.57120E-05 3269 0.207E-02 7349 T= 7037. E= 0.67565006E+03 F= 0.63037912E+03 E0= 0.65900791E+03 EK= 0.57306E+02 SP= -.12E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325889501402E+03 0.35358E-03 -0.16670E-01 8448 0.250E+01 0.202E-01 RMM: 2 -0.325908225144E+03 -0.18724E-01 -0.13484E-01 5242 0.812E-01 0.996E-01 RMM: 3 -0.325900575631E+03 0.76495E-02 -0.11560E-02 5654 0.228E-01 0.193E-01 RMM: 4 -0.325900281020E+03 0.29461E-03 -0.86612E-04 4771 0.640E-02 0.971E-02 RMM: 5 -0.325900232155E+03 0.48865E-04 -0.12606E-04 3826 0.295E-02 0.832E-02 RMM: 6 -0.325900193354E+03 0.38801E-04 -0.34181E-05 2915 0.177E-02 0.455E-02 RMM: 7 -0.325900198066E+03 -0.47119E-05 -0.29722E-05 2610 0.158E-02 7350 T= 7091. E= 0.67564820E+03 F= 0.63036879E+03 E0= 0.65899161E+03 EK= 0.57742E+02 SP= -.13E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325845669208E+03 0.54524E-01 -0.14823E-01 8280 0.251E+01 0.171E-01 RMM: 2 -0.325860625366E+03 -0.14956E-01 -0.11664E-01 5317 0.746E-01 0.812E-01 RMM: 3 -0.325855176151E+03 0.54492E-02 -0.91273E-03 5738 0.199E-01 0.174E-01 RMM: 4 -0.325854948971E+03 0.22718E-03 -0.63082E-04 4747 0.549E-02 0.947E-02 RMM: 5 -0.325854885787E+03 0.63183E-04 -0.87868E-05 3604 0.256E-02 0.662E-02 RMM: 6 -0.325854867344E+03 0.18443E-04 -0.24821E-05 2584 0.151E-02 7351 T= 7135. E= 0.67564583E+03 F= 0.63041412E+03 E0= 0.65903636E+03 EK= 0.58100E+02 SP= -.13E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325703343572E+03 0.15154E+00 -0.13600E-01 8080 0.253E+01 0.254E-01 RMM: 2 -0.325725482054E+03 -0.22138E-01 -0.10831E-01 5205 0.762E-01 0.139E+00 RMM: 3 -0.325712048964E+03 0.13433E-01 -0.11463E-02 5478 0.238E-01 0.248E-01 RMM: 4 -0.325711580883E+03 0.46808E-03 -0.10692E-03 4718 0.688E-02 0.992E-02 RMM: 5 -0.325711525617E+03 0.55266E-04 -0.13183E-04 3880 0.296E-02 0.832E-02 RMM: 6 -0.325711493888E+03 0.31729E-04 -0.31211E-05 2681 0.169E-02 0.654E-02 RMM: 7 -0.325711513838E+03 -0.19950E-04 -0.54400E-05 3269 0.204E-02 7352 T= 7164. E= 0.67564426E+03 F= 0.63055748E+03 E0= 0.65918398E+03 EK= 0.58336E+02 SP= -.13E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325430449070E+03 0.28104E+00 -0.13464E-01 7536 0.254E+01 0.250E-01 RMM: 2 -0.325448818112E+03 -0.18369E-01 -0.10291E-01 5088 0.764E-01 0.122E+00 RMM: 3 -0.325438588950E+03 0.10229E-01 -0.11312E-02 5493 0.239E-01 0.253E-01 RMM: 4 -0.325438235279E+03 0.35367E-03 -0.12436E-03 4731 0.782E-02 0.137E-01 RMM: 5 -0.325438170479E+03 0.64800E-04 -0.19973E-04 3882 0.366E-02 0.115E-01 RMM: 6 -0.325438085477E+03 0.85002E-04 -0.54783E-05 3266 0.225E-02 0.374E-02 RMM: 7 -0.325438090876E+03 -0.53987E-05 -0.22202E-05 2540 0.147E-02 7353 T= 7173. E= 0.67564478E+03 F= 0.63083090E+03 E0= 0.65946526E+03 EK= 0.58417E+02 SP= -.14E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325019534043E+03 0.41855E+00 -0.13958E-01 7872 0.253E+01 0.229E-01 RMM: 2 -0.325038267244E+03 -0.18733E-01 -0.10835E-01 5157 0.769E-01 0.119E+00 RMM: 3 -0.325028340850E+03 0.99264E-02 -0.11371E-02 5637 0.226E-01 0.213E-01 RMM: 4 -0.325027989681E+03 0.35117E-03 -0.86879E-04 4752 0.631E-02 0.105E-01 RMM: 5 -0.325027917301E+03 0.72381E-04 -0.12107E-04 3803 0.296E-02 0.791E-02 RMM: 6 -0.325027885513E+03 0.31788E-04 -0.32284E-05 2792 0.171E-02 0.589E-02 RMM: 7 -0.325027882437E+03 0.30753E-05 -0.37125E-05 2683 0.180E-02 7354 T= 7163. E= 0.67564748E+03 F= 0.63124111E+03 E0= 0.65988344E+03 EK= 0.58335E+02 SP= -.14E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324494139293E+03 0.53375E+00 -0.13886E-01 7752 0.253E+01 0.184E-01 RMM: 2 -0.324507194148E+03 -0.13055E-01 -0.10548E-01 4996 0.766E-01 0.769E-01 RMM: 3 -0.324503018007E+03 0.41761E-02 -0.11754E-02 5858 0.211E-01 0.140E-01 RMM: 4 -0.324502801640E+03 0.21637E-03 -0.63077E-04 4914 0.543E-02 0.106E-01 RMM: 5 -0.324502728678E+03 0.72962E-04 -0.87760E-05 3621 0.265E-02 0.641E-02 RMM: 6 -0.324502708932E+03 0.19746E-04 -0.24694E-05 2573 0.152E-02 7355 T= 7136. E= 0.67565076E+03 F= 0.63176628E+03 E0= 0.66041655E+03 EK= 0.58110E+02 SP= -.14E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323886087766E+03 0.61664E+00 -0.13831E-01 7672 0.252E+01 0.225E-01 RMM: 2 -0.323905208476E+03 -0.19121E-01 -0.12721E-01 4869 0.836E-01 0.110E+00 RMM: 3 -0.323896798094E+03 0.84104E-02 -0.14779E-02 5683 0.248E-01 0.218E-01 RMM: 4 -0.323896362799E+03 0.43530E-03 -0.99604E-04 4853 0.667E-02 0.940E-02 RMM: 5 -0.323896313931E+03 0.48868E-04 -0.13089E-04 3885 0.296E-02 0.808E-02 RMM: 6 -0.323896279769E+03 0.34162E-04 -0.29689E-05 2618 0.163E-02 0.532E-02 RMM: 7 -0.323896281459E+03 -0.16900E-05 -0.26303E-05 2563 0.157E-02 7356 T= 7095. E= 0.67565445E+03 F= 0.63237271E+03 E0= 0.66102773E+03 EK= 0.57776E+02 SP= -.15E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323236744321E+03 0.65954E+00 -0.13467E-01 7880 0.250E+01 0.240E-01 RMM: 2 -0.323254631761E+03 -0.17887E-01 -0.10097E-01 4949 0.759E-01 0.119E+00 RMM: 3 -0.323244934620E+03 0.96971E-02 -0.11847E-02 5507 0.239E-01 0.245E-01 RMM: 4 -0.323244513871E+03 0.42075E-03 -0.10895E-03 4698 0.707E-02 0.999E-02 RMM: 5 -0.323244516433E+03 -0.25617E-05 -0.17006E-04 3868 0.338E-02 7357 T= 7045. E= 0.67565822E+03 F= 0.63302447E+03 E0= 0.66168204E+03 EK= 0.57370E+02 SP= -.15E+02 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322566233890E+03 0.67828E+00 -0.13865E-01 7792 0.249E+01 0.163E-01 RMM: 2 -0.322581971285E+03 -0.15737E-01 -0.12054E-01 5037 0.783E-01 0.829E-01 RMM: 3 -0.322576596005E+03 0.53753E-02 -0.12320E-02 5733 0.216E-01 0.169E-01 RMM: 4 -0.322576307176E+03 0.28883E-03 -0.66092E-04 5043 0.537E-02 0.914E-02 RMM: 5 -0.322576252785E+03 0.54390E-04 -0.74130E-05 3508 0.243E-02 0.774E-02 RMM: 6 -0.322576234957E+03 0.17828E-04 -0.26961E-05 2572 0.157E-02 7358 T= 6990. E= 0.67566140E+03 F= 0.63369275E+03 E0= 0.66234873E+03 EK= 0.56923E+02 SP= -.15E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321905173452E+03 0.67108E+00 -0.13708E-01 7752 0.248E+01 0.315E-01 RMM: 2 -0.321941634513E+03 -0.36461E-01 -0.10976E-01 4921 0.774E-01 0.200E+00 RMM: 3 -0.321913411546E+03 0.28223E-01 -0.15984E-02 5370 0.304E-01 0.248E-01 RMM: 4 -0.321912988790E+03 0.42276E-03 -0.17378E-03 5111 0.766E-02 0.906E-02 RMM: 5 -0.321912955282E+03 0.33508E-04 -0.14352E-04 3862 0.317E-02 0.921E-02 RMM: 6 -0.321912905922E+03 0.49360E-04 -0.31812E-05 2815 0.169E-02 0.466E-02 RMM: 7 -0.321912906274E+03 -0.35205E-06 -0.19721E-05 2520 0.144E-02 7359 T= 6933. E= 0.67566320E+03 F= 0.63435608E+03 E0= 0.66300980E+03 EK= 0.56458E+02 SP= -.15E+02 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321260666557E+03 0.65224E+00 -0.13757E-01 8128 0.247E+01 0.402E-01 RMM: 2 -0.321306576020E+03 -0.45909E-01 -0.13146E-01 4947 0.863E-01 0.228E+00 RMM: 3 -0.321270542837E+03 0.36033E-01 -0.21486E-02 5386 0.353E-01 0.401E-01 RMM: 4 -0.321269426808E+03 0.11160E-02 -0.25501E-03 5274 0.104E-01 0.129E-01 RMM: 5 -0.321269476532E+03 -0.49724E-04 -0.35155E-04 3911 0.432E-02 0.161E-01 RMM: 6 -0.321269301269E+03 0.17526E-03 -0.95867E-05 3684 0.278E-02 0.539E-02 RMM: 7 -0.321269286810E+03 0.14458E-04 -0.20897E-05 2562 0.132E-02 7360 T= 6876. E= 0.67566500E+03 F= 0.63499970E+03 E0= 0.66365102E+03 EK= 0.55993E+02 SP= -.15E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320645542683E+03 0.62376E+00 -0.13698E-01 8016 0.245E+01 0.240E-01 RMM: 2 -0.320668370104E+03 -0.22827E-01 -0.12308E-01 5065 0.784E-01 0.133E+00 RMM: 3 -0.320655519104E+03 0.12851E-01 -0.13473E-02 5448 0.256E-01 0.234E-01 RMM: 4 -0.320655126903E+03 0.39220E-03 -0.12357E-03 4868 0.701E-02 0.979E-02 RMM: 5 -0.320655080318E+03 0.46585E-04 -0.14382E-04 3910 0.307E-02 0.829E-02 RMM: 6 -0.320655037503E+03 0.42815E-04 -0.29809E-05 2721 0.162E-02 0.499E-02 RMM: 7 -0.320655040499E+03 -0.29967E-05 -0.22454E-05 2556 0.147E-02 7361 T= 6820. E= 0.67566648E+03 F= 0.63561395E+03 E0= 0.66426465E+03 EK= 0.55540E+02 SP= -.16E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320066415354E+03 0.58862E+00 -0.13821E-01 8376 0.244E+01 0.230E-01 RMM: 2 -0.320086947618E+03 -0.20532E-01 -0.12820E-01 5041 0.806E-01 0.117E+00 RMM: 3 -0.320077001941E+03 0.99457E-02 -0.13804E-02 5648 0.245E-01 0.207E-01 RMM: 4 -0.320076639417E+03 0.36252E-03 -0.10321E-03 4845 0.664E-02 0.955E-02 RMM: 5 -0.320076619983E+03 0.19434E-04 -0.14016E-04 3829 0.313E-02 7362 T= 6767. E= 0.67566839E+03 F= 0.63619237E+03 E0= 0.66484498E+03 EK= 0.55110E+02 SP= -.16E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319530819043E+03 0.54582E+00 -0.14594E-01 8328 0.244E+01 0.130E-01 RMM: 2 -0.319547036761E+03 -0.16218E-01 -0.14877E-01 5269 0.836E-01 0.564E-01 RMM: 3 -0.319543611891E+03 0.34249E-02 -0.12730E-02 5892 0.212E-01 0.144E-01 RMM: 4 -0.319543361769E+03 0.25012E-03 -0.62193E-04 4752 0.531E-02 0.103E-01 RMM: 5 -0.319543299161E+03 0.62608E-04 -0.62074E-05 3281 0.239E-02 0.801E-02 RMM: 6 -0.319543287484E+03 0.11678E-04 -0.28071E-05 2562 0.159E-02 7363 T= 6719. E= 0.67567037E+03 F= 0.63672570E+03 E0= 0.66538340E+03 EK= 0.54713E+02 SP= -.16E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319061351306E+03 0.48195E+00 -0.14286E-01 8608 0.243E+01 0.339E-01 RMM: 2 -0.319102152784E+03 -0.40801E-01 -0.13282E-01 5023 0.821E-01 0.207E+00 RMM: 3 -0.319071422388E+03 0.30730E-01 -0.17421E-02 5384 0.311E-01 0.288E-01 RMM: 4 -0.319070852243E+03 0.57014E-03 -0.19811E-03 5064 0.868E-02 0.107E-01 RMM: 5 -0.319070841718E+03 0.10525E-04 -0.21633E-04 3904 0.351E-02 0.114E-01 RMM: 6 -0.319070763369E+03 0.78349E-04 -0.49712E-05 3176 0.208E-02 0.463E-02 RMM: 7 -0.319070760488E+03 0.28808E-05 -0.17865E-05 2520 0.133E-02 7364 T= 6676. E= 0.67567220E+03 F= 0.63719823E+03 E0= 0.66586452E+03 EK= 0.54367E+02 SP= -.16E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318669923394E+03 0.40084E+00 -0.15176E-01 8704 0.243E+01 0.384E-01 RMM: 2 -0.318718351133E+03 -0.48428E-01 -0.15848E-01 5069 0.915E-01 0.228E+00 RMM: 3 -0.318682218986E+03 0.36132E-01 -0.21268E-02 5408 0.340E-01 0.376E-01 RMM: 4 -0.318681219963E+03 0.99902E-03 -0.25706E-03 5227 0.104E-01 0.134E-01 RMM: 5 -0.318681205842E+03 0.14121E-04 -0.32648E-04 3900 0.412E-02 0.142E-01 RMM: 6 -0.318681070848E+03 0.13499E-03 -0.81960E-05 3584 0.253E-02 0.505E-02 RMM: 7 -0.318681064605E+03 0.62427E-05 -0.21697E-05 2544 0.133E-02 7365 T= 6643. E= 0.67567488E+03 F= 0.63758792E+03 E0= 0.66626481E+03 EK= 0.54098E+02 SP= -.16E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318395948826E+03 0.28512E+00 -0.14988E-01 8784 0.242E+01 0.241E-01 RMM: 2 -0.318419142224E+03 -0.23193E-01 -0.14018E-01 5291 0.812E-01 0.125E+00 RMM: 3 -0.318407350029E+03 0.11792E-01 -0.13263E-02 5495 0.249E-01 0.239E-01 RMM: 4 -0.318406924383E+03 0.42565E-03 -0.11912E-03 5012 0.677E-02 0.868E-02 RMM: 5 -0.318406887141E+03 0.37243E-04 -0.12826E-04 3827 0.290E-02 0.796E-02 RMM: 6 -0.318406851848E+03 0.35293E-04 -0.26197E-05 2618 0.153E-02 0.479E-02 RMM: 7 -0.318406854520E+03 -0.26722E-05 -0.16800E-05 2516 0.129E-02 7366 T= 6623. E= 0.67567749E+03 F= 0.63786213E+03 E0= 0.66655199E+03 EK= 0.53938E+02 SP= -.16E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318274835736E+03 0.13202E+00 -0.14978E-01 8872 0.242E+01 0.231E-01 RMM: 2 -0.318297142382E+03 -0.22307E-01 -0.14798E-01 5149 0.850E-01 0.116E+00 RMM: 3 -0.318287122625E+03 0.10020E-01 -0.14171E-02 5736 0.244E-01 0.211E-01 RMM: 4 -0.318286739994E+03 0.38263E-03 -0.10668E-03 4846 0.688E-02 0.110E-01 RMM: 5 -0.318286688202E+03 0.51792E-04 -0.15188E-04 3862 0.313E-02 0.841E-02 RMM: 6 -0.318286643625E+03 0.44578E-04 -0.34681E-05 2945 0.176E-02 0.403E-02 RMM: 7 -0.318286644672E+03 -0.10466E-05 -0.17096E-05 2506 0.130E-02 7367 T= 6622. E= 0.67567975E+03 F= 0.63798234E+03 E0= 0.66668553E+03 EK= 0.53926E+02 SP= -.16E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318345601876E+03 -0.58958E-01 -0.15318E-01 8728 0.242E+01 0.195E-01 RMM: 2 -0.318364583038E+03 -0.18981E-01 -0.15588E-01 5169 0.880E-01 0.835E-01 RMM: 3 -0.318358963882E+03 0.56192E-02 -0.14886E-02 5931 0.235E-01 0.182E-01 RMM: 4 -0.318358571788E+03 0.39209E-03 -0.82708E-04 4969 0.614E-02 0.946E-02 RMM: 5 -0.318358523389E+03 0.48399E-04 -0.11046E-04 3787 0.272E-02 0.779E-02 RMM: 6 -0.318358491303E+03 0.32086E-04 -0.26595E-05 2591 0.157E-02 0.469E-02 RMM: 7 -0.318358494112E+03 -0.28092E-05 -0.23641E-05 2562 0.143E-02 7368 T= 6644. E= 0.67568140E+03 F= 0.63791050E+03 E0= 0.66662668E+03 EK= 0.54101E+02 SP= -.16E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318641878875E+03 -0.28339E+00 -0.14927E-01 8560 0.243E+01 0.201E-01 RMM: 2 -0.318663620071E+03 -0.21741E-01 -0.15548E-01 5136 0.878E-01 0.105E+00 RMM: 3 -0.318655240275E+03 0.83798E-02 -0.14910E-02 5780 0.238E-01 0.190E-01 RMM: 4 -0.318654849809E+03 0.39047E-03 -0.91924E-04 4881 0.653E-02 0.100E-01 RMM: 5 -0.318654806258E+03 0.43550E-04 -0.12848E-04 3846 0.295E-02 0.771E-02 RMM: 6 -0.318654773058E+03 0.33200E-04 -0.30831E-05 2836 0.166E-02 0.436E-02 RMM: 7 -0.318654779281E+03 -0.62224E-05 -0.19892E-05 2529 0.137E-02 7369 T= 6692. E= 0.67568230E+03 F= 0.63761421E+03 E0= 0.66634344E+03 EK= 0.54495E+02 SP= -.16E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319182476164E+03 -0.52770E+00 -0.14939E-01 8456 0.244E+01 0.183E-01 RMM: 2 -0.319200931163E+03 -0.18455E-01 -0.15816E-01 5133 0.889E-01 0.753E-01 RMM: 3 -0.319196163502E+03 0.47677E-02 -0.15455E-02 5928 0.233E-01 0.161E-01 RMM: 4 -0.319195812305E+03 0.35120E-03 -0.78708E-04 4969 0.606E-02 0.101E-01 RMM: 5 -0.319195755816E+03 0.56489E-04 -0.10679E-04 3770 0.266E-02 0.808E-02 RMM: 6 -0.319195721383E+03 0.34433E-04 -0.28639E-05 2623 0.165E-02 0.446E-02 RMM: 7 -0.319195722659E+03 -0.12762E-05 -0.23572E-05 2551 0.145E-02 7370 T= 6769. E= 0.67568153E+03 F= 0.63707327E+03 E0= 0.66581528E+03 EK= 0.55125E+02 SP= -.17E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319969321077E+03 -0.77360E+00 -0.14058E-01 8376 0.246E+01 0.184E-01 RMM: 2 -0.319988260470E+03 -0.18939E-01 -0.14180E-01 5055 0.856E-01 0.938E-01 RMM: 3 -0.319981675914E+03 0.65846E-02 -0.14406E-02 5882 0.227E-01 0.172E-01 RMM: 4 -0.319981305848E+03 0.37007E-03 -0.75711E-04 4784 0.620E-02 0.101E-01 RMM: 5 -0.319981254403E+03 0.51445E-04 -0.10854E-04 3752 0.280E-02 0.736E-02 RMM: 6 -0.319981227523E+03 0.26880E-04 -0.26525E-05 2610 0.156E-02 0.486E-02 RMM: 7 -0.319981231446E+03 -0.39227E-05 -0.21722E-05 2554 0.141E-02 7371 T= 6875. E= 0.67567857E+03 F= 0.63628776E+03 E0= 0.66504305E+03 EK= 0.55988E+02 SP= -.17E+02 SK= 0.97E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320973240052E+03 -0.99201E+00 -0.13624E-01 8208 0.249E+01 0.171E-01 RMM: 2 -0.320988294661E+03 -0.15055E-01 -0.12940E-01 5137 0.818E-01 0.705E-01 RMM: 3 -0.320984392362E+03 0.39023E-02 -0.12834E-02 5935 0.213E-01 0.156E-01 RMM: 4 -0.320984087514E+03 0.30485E-03 -0.65222E-04 4826 0.569E-02 0.108E-01 RMM: 5 -0.320984020040E+03 0.67474E-04 -0.10100E-04 3692 0.278E-02 0.721E-02 RMM: 6 -0.320983994491E+03 0.25549E-04 -0.27469E-05 2631 0.159E-02 0.479E-02 RMM: 7 -0.320983992166E+03 0.23252E-05 -0.25709E-05 2557 0.154E-02 7372 T= 7006. E= 0.67567311E+03 F= 0.63528500E+03 E0= 0.66405473E+03 EK= 0.57051E+02 SP= -.17E+02 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322132566382E+03 -0.11486E+01 -0.13327E-01 8064 0.252E+01 0.176E-01 RMM: 2 -0.322148862474E+03 -0.16296E-01 -0.13122E-01 5043 0.843E-01 0.817E-01 RMM: 3 -0.322144064616E+03 0.47979E-02 -0.13848E-02 5994 0.214E-01 0.159E-01 RMM: 4 -0.322143727999E+03 0.33662E-03 -0.69286E-04 4680 0.637E-02 0.119E-01 RMM: 5 -0.322143646766E+03 0.81233E-04 -0.11349E-04 3770 0.298E-02 0.739E-02 RMM: 6 -0.322143620811E+03 0.25954E-04 -0.27115E-05 2663 0.158E-02 0.473E-02 RMM: 7 -0.322143619122E+03 0.16889E-05 -0.21364E-05 2536 0.138E-02 7373 T= 7153. E= 0.67566589E+03 F= 0.63412537E+03 E0= 0.66291018E+03 EK= 0.58250E+02 SP= -.17E+02 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323361513540E+03 -0.12179E+01 -0.13220E-01 7720 0.255E+01 0.183E-01 RMM: 2 -0.323376175974E+03 -0.14662E-01 -0.11488E-01 5067 0.809E-01 0.831E-01 RMM: 3 -0.323371370804E+03 0.48052E-02 -0.11932E-02 5859 0.208E-01 0.164E-01 RMM: 4 -0.323371063470E+03 0.30733E-03 -0.65501E-04 4671 0.601E-02 0.118E-01 RMM: 5 -0.323370976555E+03 0.86915E-04 -0.11644E-04 3795 0.300E-02 0.681E-02 RMM: 6 -0.323370955082E+03 0.21473E-04 -0.28684E-05 2745 0.162E-02 0.507E-02 RMM: 7 -0.323370950343E+03 0.47387E-05 -0.27868E-05 2551 0.161E-02 7374 T= 7305. E= 0.67565707E+03 F= 0.63289804E+03 E0= 0.66169817E+03 EK= 0.59489E+02 SP= -.17E+02 SK= 0.12E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.324548139559E+03 -0.11772E+01 -0.13061E-01 7608 0.258E+01 0.198E-01 RMM: 2 -0.324561360969E+03 -0.13221E-01 -0.10300E-01 5175 0.784E-01 0.841E-01 RMM: 3 -0.324556691984E+03 0.46690E-02 -0.10256E-02 5839 0.196E-01 0.167E-01 RMM: 4 -0.324556438792E+03 0.25319E-03 -0.65091E-04 4647 0.610E-02 0.139E-01 RMM: 5 -0.324556319666E+03 0.11913E-03 -0.13081E-04 3837 0.316E-02 0.731E-02 RMM: 6 -0.324556292885E+03 0.26781E-04 -0.28142E-05 2731 0.162E-02 0.470E-02 RMM: 7 -0.324556288929E+03 0.39564E-05 -0.23655E-05 2529 0.146E-02 7375 T= 7448. E= 0.67564770E+03 F= 0.63171270E+03 E0= 0.66052586E+03 EK= 0.60650E+02 SP= -.17E+02 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325576889932E+03 -0.10206E+01 -0.13385E-01 7632 0.261E+01 0.205E-01 RMM: 2 -0.325591151512E+03 -0.14262E-01 -0.10776E-01 5167 0.806E-01 0.902E-01 RMM: 3 -0.325585859942E+03 0.52916E-02 -0.10757E-02 5799 0.201E-01 0.169E-01 RMM: 4 -0.325585598360E+03 0.26158E-03 -0.68088E-04 4637 0.622E-02 0.142E-01 RMM: 5 -0.325585464557E+03 0.13380E-03 -0.13987E-04 3864 0.330E-02 0.675E-02 RMM: 6 -0.325585442120E+03 0.22437E-04 -0.31581E-05 2850 0.169E-02 0.511E-02 RMM: 7 -0.325585432727E+03 0.93926E-05 -0.32365E-05 2542 0.175E-02 7376 T= 7566. E= 0.67563962E+03 F= 0.63068356E+03 E0= 0.65950613E+03 EK= 0.61614E+02 SP= -.17E+02 SK= 0.98E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326349671356E+03 -0.76423E+00 -0.13723E-01 7576 0.263E+01 0.217E-01 RMM: 2 -0.326364002635E+03 -0.14331E-01 -0.11156E-01 5162 0.832E-01 0.901E-01 RMM: 3 -0.326358886382E+03 0.51163E-02 -0.11533E-02 5817 0.209E-01 0.171E-01 RMM: 4 -0.326358622317E+03 0.26406E-03 -0.72867E-04 4658 0.639E-02 0.152E-01 RMM: 5 -0.326358473931E+03 0.14839E-03 -0.14520E-04 3880 0.335E-02 0.710E-02 RMM: 6 -0.326358449819E+03 0.24112E-04 -0.31374E-05 2817 0.170E-02 0.492E-02 RMM: 7 -0.326358438251E+03 0.11568E-04 -0.31991E-05 2548 0.170E-02 7377 T= 7647. E= 0.67563335E+03 F= 0.62991055E+03 E0= 0.65873757E+03 EK= 0.62275E+02 SP= -.17E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326795374212E+03 -0.43692E+00 -0.14007E-01 7544 0.264E+01 0.205E-01 RMM: 2 -0.326810389444E+03 -0.15015E-01 -0.11908E-01 5075 0.852E-01 0.881E-01 RMM: 3 -0.326805467165E+03 0.49223E-02 -0.12639E-02 5872 0.213E-01 0.170E-01 RMM: 4 -0.326805193671E+03 0.27349E-03 -0.71602E-04 4661 0.650E-02 0.148E-01 RMM: 5 -0.326805049700E+03 0.14397E-03 -0.14097E-04 3881 0.328E-02 0.752E-02 RMM: 6 -0.326805021609E+03 0.28091E-04 -0.31916E-05 2835 0.171E-02 0.486E-02 RMM: 7 -0.326805017074E+03 0.45352E-05 -0.27649E-05 2545 0.156E-02 7378 T= 7682. E= 0.67563044E+03 F= 0.62946397E+03 E0= 0.65829015E+03 EK= 0.62560E+02 SP= -.16E+02 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326890095618E+03 -0.85074E-01 -0.14187E-01 7520 0.264E+01 0.211E-01 RMM: 2 -0.326906954188E+03 -0.16859E-01 -0.12879E-01 4994 0.884E-01 0.951E-01 RMM: 3 -0.326901068566E+03 0.58856E-02 -0.14225E-02 5839 0.230E-01 0.184E-01 RMM: 4 -0.326900735908E+03 0.33266E-03 -0.79234E-04 4704 0.671E-02 0.126E-01 RMM: 5 -0.326900626851E+03 0.10906E-03 -0.12997E-04 3836 0.308E-02 0.723E-02 RMM: 6 -0.326900602844E+03 0.24006E-04 -0.31917E-05 2770 0.172E-02 0.467E-02 RMM: 7 -0.326900602543E+03 0.30117E-06 -0.27803E-05 2566 0.153E-02 7379 T= 7668. E= 0.67563123E+03 F= 0.62936839E+03 E0= 0.65818966E+03 EK= 0.62445E+02 SP= -.16E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326658724142E+03 0.24188E+00 -0.13646E-01 7344 0.263E+01 0.191E-01 RMM: 2 -0.326672360640E+03 -0.13636E-01 -0.11759E-01 5002 0.837E-01 0.749E-01 RMM: 3 -0.326668628875E+03 0.37318E-02 -0.12568E-02 5892 0.217E-01 0.138E-01 RMM: 4 -0.326668476419E+03 0.15246E-03 -0.61698E-04 4667 0.599E-02 0.157E-01 RMM: 5 -0.326668315945E+03 0.16047E-03 -0.12161E-04 3819 0.316E-02 0.686E-02 RMM: 6 -0.326668292641E+03 0.23304E-04 -0.30065E-05 2763 0.167E-02 0.447E-02 RMM: 7 -0.326668288338E+03 0.43031E-05 -0.35044E-05 2631 0.169E-02 7380 T= 7608. E= 0.67563561E+03 F= 0.62960070E+03 E0= 0.65841327E+03 EK= 0.61954E+02 SP= -.16E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326165944536E+03 0.50235E+00 -0.14062E-01 7392 0.261E+01 0.218E-01 RMM: 2 -0.326184298627E+03 -0.18354E-01 -0.12727E-01 4874 0.886E-01 0.106E+00 RMM: 3 -0.326176707174E+03 0.75915E-02 -0.14697E-02 5716 0.249E-01 0.199E-01 RMM: 4 -0.326176391830E+03 0.31534E-03 -0.87549E-04 4717 0.704E-02 0.120E-01 RMM: 5 -0.326176306116E+03 0.85713E-04 -0.13453E-04 3818 0.305E-02 0.862E-02 RMM: 6 -0.326176266455E+03 0.39661E-04 -0.38121E-05 2969 0.190E-02 0.441E-02 RMM: 7 -0.326176271081E+03 -0.46260E-05 -0.26694E-05 2569 0.154E-02 7381 T= 7510. E= 0.67564302E+03 F= 0.63009272E+03 E0= 0.65889479E+03 EK= 0.61160E+02 SP= -.16E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325521153623E+03 0.65511E+00 -0.14072E-01 7400 0.258E+01 0.211E-01 RMM: 2 -0.325536927175E+03 -0.15774E-01 -0.12515E-01 4872 0.880E-01 0.875E-01 RMM: 3 -0.325531714577E+03 0.52126E-02 -0.14703E-02 5809 0.248E-01 0.163E-01 RMM: 4 -0.325531516755E+03 0.19782E-03 -0.74396E-04 4672 0.640E-02 0.144E-01 RMM: 5 -0.325531381877E+03 0.13488E-03 -0.12297E-04 3847 0.324E-02 0.754E-02 RMM: 6 -0.325531353560E+03 0.28318E-04 -0.32695E-05 2770 0.176E-02 0.455E-02 RMM: 7 -0.325531354023E+03 -0.46373E-06 -0.32548E-05 2617 0.167E-02 7382 T= 7389. E= 0.67565212E+03 F= 0.63073764E+03 E0= 0.65952693E+03 EK= 0.60175E+02 SP= -.15E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324853176739E+03 0.67818E+00 -0.14689E-01 7336 0.255E+01 0.236E-01 RMM: 2 -0.324872919110E+03 -0.19742E-01 -0.13181E-01 4926 0.910E-01 0.112E+00 RMM: 3 -0.324864318034E+03 0.86011E-02 -0.15207E-02 5650 0.259E-01 0.221E-01 RMM: 4 -0.324863950853E+03 0.36718E-03 -0.96485E-04 4789 0.728E-02 0.124E-01 RMM: 5 -0.324863868927E+03 0.81926E-04 -0.14486E-04 3912 0.317E-02 0.996E-02 RMM: 6 -0.324863814888E+03 0.54039E-04 -0.44332E-05 3094 0.203E-02 0.512E-02 RMM: 7 -0.324863818226E+03 -0.33381E-05 -0.31055E-05 2616 0.163E-02 7383 T= 7262. E= 0.67566212E+03 F= 0.63140517E+03 E0= 0.66017983E+03 EK= 0.59136E+02 SP= -.15E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324299433366E+03 0.56438E+00 -0.14429E-01 7360 0.252E+01 0.240E-01 RMM: 2 -0.324317919635E+03 -0.18486E-01 -0.13485E-01 4958 0.921E-01 0.102E+00 RMM: 3 -0.324310885239E+03 0.70344E-02 -0.15560E-02 5700 0.257E-01 0.199E-01 RMM: 4 -0.324310571514E+03 0.31373E-03 -0.90937E-04 4733 0.695E-02 0.140E-01 RMM: 5 -0.324310456979E+03 0.11454E-03 -0.14361E-04 3957 0.336E-02 0.876E-02 RMM: 6 -0.324310416778E+03 0.40200E-04 -0.39603E-05 3002 0.191E-02 0.509E-02 RMM: 7 -0.324310419625E+03 -0.28464E-05 -0.30706E-05 2592 0.166E-02 7384 T= 7145. E= 0.67567061E+03 F= 0.63195857E+03 E0= 0.66071518E+03 EK= 0.58183E+02 SP= -.15E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323976319067E+03 0.33410E+00 -0.14015E-01 7600 0.249E+01 0.218E-01 RMM: 2 -0.323993437694E+03 -0.17119E-01 -0.13000E-01 4962 0.896E-01 0.929E-01 RMM: 3 -0.323987485433E+03 0.59523E-02 -0.14431E-02 5724 0.242E-01 0.186E-01 RMM: 4 -0.323987192387E+03 0.29305E-03 -0.79644E-04 4738 0.671E-02 0.136E-01 RMM: 5 -0.323987087927E+03 0.10446E-03 -0.13492E-04 3911 0.322E-02 0.909E-02 RMM: 6 -0.323987044597E+03 0.43330E-04 -0.41370E-05 3046 0.193E-02 0.510E-02 RMM: 7 -0.323987049611E+03 -0.50143E-05 -0.33484E-05 2627 0.170E-02 7385 T= 7053. E= 0.67567588E+03 F= 0.63228194E+03 E0= 0.66101598E+03 EK= 0.57436E+02 SP= -.14E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323950766118E+03 0.36278E-01 -0.14475E-01 7688 0.248E+01 0.220E-01 RMM: 2 -0.323968896371E+03 -0.18130E-01 -0.13746E-01 4885 0.916E-01 0.943E-01 RMM: 3 -0.323962594633E+03 0.63017E-02 -0.15626E-02 5748 0.253E-01 0.188E-01 RMM: 4 -0.323962280208E+03 0.31443E-03 -0.84945E-04 4778 0.686E-02 0.130E-01 RMM: 5 -0.323962186287E+03 0.93921E-04 -0.13608E-04 3893 0.323E-02 0.857E-02 RMM: 6 -0.323962146557E+03 0.39730E-04 -0.41460E-05 3045 0.192E-02 0.475E-02 RMM: 7 -0.323962153247E+03 -0.66896E-05 -0.30217E-05 2604 0.166E-02 7386 T= 6995. E= 0.67567651E+03 F= 0.63230684E+03 E0= 0.66101225E+03 EK= 0.56964E+02 SP= -.14E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324228703873E+03 -0.26656E+00 -0.14986E-01 7936 0.248E+01 0.185E-01 RMM: 2 -0.324244994001E+03 -0.16290E-01 -0.13926E-01 4913 0.894E-01 0.750E-01 RMM: 3 -0.324240791239E+03 0.42028E-02 -0.15258E-02 5914 0.239E-01 0.142E-01 RMM: 4 -0.324240541818E+03 0.24942E-03 -0.69769E-04 4743 0.638E-02 0.139E-01 RMM: 5 -0.324240421146E+03 0.12067E-03 -0.11879E-04 3802 0.318E-02 0.736E-02 RMM: 6 -0.324240398893E+03 0.22253E-04 -0.35083E-05 2892 0.176E-02 0.543E-02 RMM: 7 -0.324240399218E+03 -0.32514E-06 -0.42265E-05 2779 0.189E-02 7387 T= 6972. E= 0.67567336E+03 F= 0.63202859E+03 E0= 0.66069898E+03 EK= 0.56774E+02 SP= -.14E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324763001022E+03 -0.52260E+00 -0.14931E-01 8240 0.249E+01 0.179E-01 RMM: 2 -0.324779604010E+03 -0.16603E-01 -0.13818E-01 5086 0.867E-01 0.773E-01 RMM: 3 -0.324775087716E+03 0.45163E-02 -0.14082E-02 5840 0.233E-01 0.156E-01 RMM: 4 -0.324774847445E+03 0.24027E-03 -0.67958E-04 4713 0.611E-02 0.134E-01 RMM: 5 -0.324774726255E+03 0.12119E-03 -0.10830E-04 3723 0.292E-02 0.720E-02 RMM: 6 -0.324774708885E+03 0.17370E-04 -0.35099E-05 2905 0.176E-02 7388 T= 6977. E= 0.67566858E+03 F= 0.63149428E+03 E0= 0.66012250E+03 EK= 0.56820E+02 SP= -.13E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325475882300E+03 -0.70116E+00 -0.15994E-01 8528 0.250E+01 0.232E-01 RMM: 2 -0.325501895474E+03 -0.26013E-01 -0.15665E-01 5211 0.889E-01 0.130E+00 RMM: 3 -0.325489263001E+03 0.12632E-01 -0.15370E-02 5459 0.269E-01 0.212E-01 RMM: 4 -0.325488954775E+03 0.30823E-03 -0.11836E-03 4916 0.700E-02 0.122E-01 RMM: 5 -0.325488864550E+03 0.90226E-04 -0.13189E-04 4002 0.306E-02 0.813E-02 RMM: 6 -0.325488845686E+03 0.18864E-04 -0.29770E-05 2646 0.160E-02 7389 T= 7003. E= 0.67566384E+03 F= 0.63078014E+03 E0= 0.65936109E+03 EK= 0.57025E+02 SP= -.13E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326287154252E+03 -0.79829E+00 -0.18342E-01 8720 0.251E+01 0.403E-01 RMM: 2 -0.326339481288E+03 -0.52327E-01 -0.17561E-01 5118 0.961E-01 0.233E+00 RMM: 3 -0.326301157729E+03 0.38324E-01 -0.22036E-02 5348 0.358E-01 0.406E-01 RMM: 4 -0.326299954431E+03 0.12033E-02 -0.26718E-03 5265 0.107E-01 0.123E-01 RMM: 5 -0.326299902103E+03 0.52328E-04 -0.30068E-04 4376 0.331E-02 0.118E-01 RMM: 6 -0.326299834608E+03 0.67494E-04 -0.40932E-05 3005 0.192E-02 0.813E-02 RMM: 7 -0.326299874177E+03 -0.39568E-04 -0.63829E-05 3439 0.211E-02 0.116E-01 RMM: 8 -0.326299789292E+03 0.84884E-04 -0.14537E-04 3898 0.250E-02 0.510E-02 RMM: 9 -0.326299782083E+03 0.72096E-05 -0.30383E-05 2809 0.154E-02 7390 T= 7037. E= 0.67565893E+03 F= 0.62996921E+03 E0= 0.65849869E+03 EK= 0.57303E+02 SP= -.12E+02 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327116597400E+03 -0.81681E+00 -0.21273E-01 8824 0.251E+01 0.328E-01 RMM: 2 -0.327153068758E+03 -0.36471E-01 -0.20306E-01 5224 0.951E-01 0.160E+00 RMM: 3 -0.327133216696E+03 0.19852E-01 -0.19235E-02 5386 0.317E-01 0.330E-01 RMM: 4 -0.327132683618E+03 0.53308E-03 -0.23463E-03 5264 0.106E-01 0.204E-01 RMM: 5 -0.327132504297E+03 0.17932E-03 -0.33680E-04 3949 0.434E-02 0.154E-01 RMM: 6 -0.327132356122E+03 0.14817E-03 -0.90011E-05 3629 0.272E-02 0.473E-02 RMM: 7 -0.327132382952E+03 -0.26829E-04 -0.45284E-05 3123 0.187E-02 0.809E-02 RMM: 8 -0.327132348429E+03 0.34522E-04 -0.34516E-05 2715 0.181E-02 0.368E-02 RMM: 9 -0.327132344596E+03 0.38332E-05 -0.14529E-05 2495 0.110E-02 7391 T= 7070. E= 0.67565360E+03 F= 0.62913664E+03 E0= 0.65761229E+03 EK= 0.57578E+02 SP= -.12E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327901756991E+03 -0.76941E+00 -0.25640E-01 8856 0.251E+01 0.244E-01 RMM: 2 -0.327934884575E+03 -0.33128E-01 -0.23333E-01 5443 0.100E+00 0.127E+00 RMM: 3 -0.327921540273E+03 0.13344E-01 -0.17595E-02 5520 0.276E-01 0.240E-01 RMM: 4 -0.327921069520E+03 0.47075E-03 -0.13718E-03 4888 0.782E-02 0.117E-01 RMM: 5 -0.327920998467E+03 0.71053E-04 -0.17144E-04 4240 0.307E-02 0.934E-02 RMM: 6 -0.327920959724E+03 0.38743E-04 -0.31756E-05 2785 0.169E-02 0.693E-02 RMM: 7 -0.327920968269E+03 -0.85449E-05 -0.53165E-05 3190 0.202E-02 7392 T= 7096. E= 0.67564909E+03 F= 0.62834802E+03 E0= 0.65676861E+03 EK= 0.57783E+02 SP= -.11E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328589541781E+03 -0.66858E+00 -0.31120E-01 8872 0.251E+01 0.220E-01 RMM: 2 -0.328619886068E+03 -0.30344E-01 -0.25060E-01 5640 0.101E+00 0.997E-01 RMM: 3 -0.328610730503E+03 0.91556E-02 -0.15797E-02 5637 0.262E-01 0.195E-01 RMM: 4 -0.328610420665E+03 0.30984E-03 -0.11284E-03 4925 0.694E-02 0.119E-01 RMM: 5 -0.328610342521E+03 0.78143E-04 -0.13424E-04 4181 0.289E-02 0.850E-02 RMM: 6 -0.328610325189E+03 0.17332E-04 -0.27463E-05 2599 0.158E-02 7393 T= 7106. E= 0.67564510E+03 F= 0.62765866E+03 E0= 0.65602634E+03 EK= 0.57864E+02 SP= -.11E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329128737305E+03 -0.51839E+00 -0.39714E-01 9008 0.251E+01 0.322E-01 RMM: 2 -0.329174517786E+03 -0.45780E-01 -0.31111E-01 5193 0.117E+00 0.156E+00 RMM: 3 -0.329155403653E+03 0.19114E-01 -0.25551E-02 5473 0.345E-01 0.354E-01 RMM: 4 -0.329154483179E+03 0.92047E-03 -0.23085E-03 5337 0.971E-02 0.136E-01 RMM: 5 -0.329154408868E+03 0.74311E-04 -0.27819E-04 4445 0.327E-02 0.116E-01 RMM: 6 -0.329154360082E+03 0.48786E-04 -0.44258E-05 3071 0.191E-02 0.977E-02 RMM: 7 -0.329154433213E+03 -0.73131E-04 -0.13113E-04 3885 0.292E-02 0.145E-01 RMM: 8 -0.329154315030E+03 0.11818E-03 -0.21073E-04 3894 0.305E-02 0.637E-02 RMM: 9 -0.329154296315E+03 0.18715E-04 -0.39772E-05 3028 0.171E-02 7394 T= 7095. E= 0.67564203E+03 F= 0.62711469E+03 E0= 0.65543375E+03 EK= 0.57775E+02 SP= -.99E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329497359702E+03 -0.34304E+00 -0.43367E-01 8856 0.251E+01 0.368E-01 RMM: 2 -0.329545372384E+03 -0.48013E-01 -0.29640E-01 5491 0.109E+00 0.173E+00 RMM: 3 -0.329521926122E+03 0.23446E-01 -0.21051E-02 5450 0.322E-01 0.313E-01 RMM: 4 -0.329521508391E+03 0.41773E-03 -0.25488E-03 5254 0.111E-01 0.235E-01 RMM: 5 -0.329521386372E+03 0.12202E-03 -0.42774E-04 3975 0.479E-02 0.197E-01 RMM: 6 -0.329521137292E+03 0.24908E-03 -0.16374E-04 3876 0.360E-02 0.562E-02 RMM: 7 -0.329521185513E+03 -0.48222E-04 -0.71543E-05 3482 0.224E-02 0.970E-02 RMM: 8 -0.329521146518E+03 0.38995E-04 -0.50556E-05 3176 0.209E-02 0.411E-02 RMM: 9 -0.329521140293E+03 0.62259E-05 -0.16742E-05 2516 0.122E-02 7395 T= 7059. E= 0.67564009E+03 F= 0.62674785E+03 E0= 0.65502464E+03 EK= 0.57487E+02 SP= -.93E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329672418419E+03 -0.15127E+00 -0.46702E-01 8840 0.251E+01 0.244E-01 RMM: 2 -0.329709681673E+03 -0.37263E-01 -0.28612E-01 6002 0.106E+00 0.122E+00 RMM: 3 -0.329697419978E+03 0.12262E-01 -0.15093E-02 5517 0.266E-01 0.238E-01 RMM: 4 -0.329697003221E+03 0.41676E-03 -0.13117E-03 4888 0.754E-02 0.117E-01 RMM: 5 -0.329696927404E+03 0.75817E-04 -0.17204E-04 4163 0.308E-02 0.846E-02 RMM: 6 -0.329696894811E+03 0.32592E-04 -0.32694E-05 2861 0.170E-02 0.620E-02 RMM: 7 -0.329696904899E+03 -0.10087E-04 -0.45522E-05 3107 0.195E-02 7396 T= 6998. E= 0.67563940E+03 F= 0.62657208E+03 E0= 0.65481454E+03 EK= 0.56991E+02 SP= -.87E+01 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329668411755E+03 0.28483E-01 -0.45109E-01 8768 0.250E+01 0.208E-01 RMM: 2 -0.329698244087E+03 -0.29832E-01 -0.25891E-01 6297 0.100E+00 0.864E-01 RMM: 3 -0.329691376666E+03 0.68674E-02 -0.11337E-02 5565 0.229E-01 0.205E-01 RMM: 4 -0.329691099789E+03 0.27688E-03 -0.92008E-04 4851 0.625E-02 0.113E-01 RMM: 5 -0.329691041689E+03 0.58100E-04 -0.12222E-04 3923 0.277E-02 0.870E-02 RMM: 6 -0.329691016087E+03 0.25603E-04 -0.32721E-05 2837 0.172E-02 0.665E-02 RMM: 7 -0.329691053418E+03 -0.37331E-04 -0.60142E-05 3379 0.204E-02 0.998E-02 RMM: 8 -0.329690999681E+03 0.53737E-04 -0.77238E-05 3770 0.226E-02 0.411E-02 RMM: 9 -0.329690992317E+03 0.73644E-05 -0.16828E-05 2539 0.117E-02 7397 T= 6914. E= 0.67564063E+03 F= 0.62657800E+03 E0= 0.65479589E+03 EK= 0.56301E+02 SP= -.81E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329518750551E+03 0.17225E+00 -0.41734E-01 8816 0.249E+01 0.233E-01 RMM: 2 -0.329549387473E+03 -0.30637E-01 -0.24980E-01 6209 0.995E-01 0.101E+00 RMM: 3 -0.329540721252E+03 0.86662E-02 -0.12094E-02 5584 0.235E-01 0.171E-01 RMM: 4 -0.329540680027E+03 0.41225E-04 -0.10503E-03 4786 0.711E-02 0.198E-01 RMM: 5 -0.329540434455E+03 0.24557E-03 -0.19911E-04 3891 0.361E-02 0.794E-02 RMM: 6 -0.329540413471E+03 0.20983E-04 -0.55847E-05 3262 0.216E-02 0.612E-02 RMM: 7 -0.329540445778E+03 -0.32307E-04 -0.54308E-05 3267 0.204E-02 0.883E-02 RMM: 8 -0.329540399516E+03 0.46262E-04 -0.46215E-05 3024 0.192E-02 0.283E-02 RMM: 9 -0.329540399287E+03 0.22895E-06 -0.14929E-05 2485 0.112E-02 7398 T= 6811. E= 0.67564436E+03 F= 0.62672859E+03 E0= 0.65493094E+03 EK= 0.55462E+02 SP= -.74E+01 SK= 0.88E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329292969996E+03 0.24743E+00 -0.35118E-01 8816 0.247E+01 0.216E-01 RMM: 2 -0.329319900374E+03 -0.26930E-01 -0.22201E-01 6076 0.956E-01 0.938E-01 RMM: 3 -0.329312453798E+03 0.74466E-02 -0.12143E-02 5706 0.225E-01 0.186E-01 RMM: 4 -0.329312188555E+03 0.26524E-03 -0.92002E-04 4758 0.660E-02 0.135E-01 RMM: 5 -0.329312092571E+03 0.95984E-04 -0.14470E-04 3887 0.301E-02 0.886E-02 RMM: 6 -0.329312052309E+03 0.40262E-04 -0.37811E-05 2998 0.185E-02 0.549E-02 RMM: 7 -0.329312074252E+03 -0.21943E-04 -0.48616E-05 3186 0.196E-02 0.820E-02 RMM: 8 -0.329312031229E+03 0.43023E-04 -0.43688E-05 2889 0.179E-02 0.290E-02 RMM: 9 -0.329312030259E+03 0.96932E-06 -0.16079E-05 2481 0.115E-02 7399 T= 6698. E= 0.67564984E+03 F= 0.62695696E+03 E0= 0.65515191E+03 EK= 0.54545E+02 SP= -.68E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329077264581E+03 0.23477E+00 -0.27586E-01 8864 0.245E+01 0.226E-01 RMM: 2 -0.329104714818E+03 -0.27450E-01 -0.20840E-01 5597 0.965E-01 0.107E+00 RMM: 3 -0.329095478772E+03 0.92360E-02 -0.15206E-02 5734 0.245E-01 0.179E-01 RMM: 4 -0.329095177191E+03 0.30158E-03 -0.10559E-03 4788 0.705E-02 0.139E-01 RMM: 5 -0.329095062463E+03 0.11473E-03 -0.15493E-04 3899 0.309E-02 0.826E-02 RMM: 6 -0.329095029170E+03 0.33293E-04 -0.35741E-05 2956 0.177E-02 0.555E-02 RMM: 7 -0.329095047528E+03 -0.18358E-04 -0.54594E-05 3291 0.204E-02 7400 T= 6587. E= 0.67565511E+03 F= 0.62717394E+03 E0= 0.65536783E+03 EK= 0.53643E+02 SP= -.61E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328961797301E+03 0.13323E+00 -0.20767E-01 8728 0.243E+01 0.175E-01 RMM: 2 -0.328981606700E+03 -0.19809E-01 -0.17555E-01 5614 0.893E-01 0.696E-01 RMM: 3 -0.328977346218E+03 0.42605E-02 -0.12867E-02 5890 0.214E-01 0.166E-01 RMM: 4 -0.328977037919E+03 0.30830E-03 -0.71786E-04 4726 0.600E-02 0.118E-01 RMM: 5 -0.328976952142E+03 0.85778E-04 -0.98218E-05 3625 0.265E-02 0.710E-02 RMM: 6 -0.328976942129E+03 0.10013E-04 -0.27250E-05 2644 0.158E-02 7401 T= 6489. E= 0.67565874E+03 F= 0.62729205E+03 E0= 0.65548868E+03 EK= 0.52846E+02 SP= -.54E+01 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329005813358E+03 -0.28861E-01 -0.15553E-01 8592 0.242E+01 0.281E-01 RMM: 2 -0.329032495846E+03 -0.26682E-01 -0.13985E-01 5271 0.812E-01 0.143E+00 RMM: 3 -0.329017333924E+03 0.15162E-01 -0.14339E-02 5398 0.267E-01 0.257E-01 RMM: 4 -0.329016859976E+03 0.47395E-03 -0.14263E-03 4970 0.732E-02 0.111E-01 RMM: 5 -0.329016791010E+03 0.68966E-04 -0.14560E-04 3908 0.312E-02 0.859E-02 RMM: 6 -0.329016755233E+03 0.35777E-04 -0.31003E-05 2764 0.165E-02 0.620E-02 RMM: 7 -0.329016771864E+03 -0.16631E-04 -0.41110E-05 3049 0.188E-02 7402 T= 6412. E= 0.67565993E+03 F= 0.62725222E+03 E0= 0.65545433E+03 EK= 0.52214E+02 SP= -.47E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329223993020E+03 -0.20724E+00 -0.12942E-01 7960 0.241E+01 0.284E-01 RMM: 2 -0.329247736517E+03 -0.23743E-01 -0.11848E-01 4992 0.791E-01 0.140E+00 RMM: 3 -0.329233755713E+03 0.13981E-01 -0.14000E-02 5395 0.267E-01 0.290E-01 RMM: 4 -0.329233167808E+03 0.58791E-03 -0.15132E-03 4801 0.824E-02 0.120E-01 RMM: 5 -0.329233145282E+03 0.22526E-04 -0.22271E-04 3900 0.377E-02 0.118E-01 RMM: 6 -0.329233051878E+03 0.93404E-04 -0.65164E-05 3401 0.236E-02 0.380E-02 RMM: 7 -0.329233054591E+03 -0.27129E-05 -0.19030E-05 2546 0.132E-02 7403 T= 6357. E= 0.67565911E+03 F= 0.62703593E+03 E0= 0.65524456E+03 EK= 0.51766E+02 SP= -.41E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329600030382E+03 -0.36698E+00 -0.11638E-01 7872 0.239E+01 0.249E-01 RMM: 2 -0.329619640490E+03 -0.19610E-01 -0.10891E-01 4975 0.774E-01 0.125E+00 RMM: 3 -0.329608896359E+03 0.10744E-01 -0.12737E-02 5480 0.247E-01 0.206E-01 RMM: 4 -0.329608575492E+03 0.32087E-03 -0.10495E-03 4813 0.655E-02 0.101E-01 RMM: 5 -0.329608519818E+03 0.55674E-04 -0.12742E-04 3860 0.308E-02 0.820E-02 RMM: 6 -0.329608479260E+03 0.40557E-04 -0.33239E-05 2809 0.172E-02 0.456E-02 RMM: 7 -0.329608482900E+03 -0.36395E-05 -0.24353E-05 2580 0.144E-02 7404 T= 6323. E= 0.67565776E+03 F= 0.62666051E+03 E0= 0.65487743E+03 EK= 0.51488E+02 SP= -.34E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330104167835E+03 -0.49569E+00 -0.11140E-01 7880 0.239E+01 0.204E-01 RMM: 2 -0.330118193977E+03 -0.14026E-01 -0.96676E-02 4960 0.736E-01 0.922E-01 RMM: 3 -0.330112144690E+03 0.60493E-02 -0.10841E-02 5648 0.216E-01 0.182E-01 RMM: 4 -0.330111873160E+03 0.27153E-03 -0.76456E-04 4809 0.591E-02 0.985E-02 RMM: 5 -0.330111823590E+03 0.49569E-04 -0.10713E-04 3751 0.281E-02 0.734E-02 RMM: 6 -0.330111791786E+03 0.31804E-04 -0.26122E-05 2615 0.154E-02 0.396E-02 RMM: 7 -0.330111793830E+03 -0.20440E-05 -0.17858E-05 2514 0.130E-02 7405 T= 6305. E= 0.67565658E+03 F= 0.62615720E+03 E0= 0.65438317E+03 EK= 0.51346E+02 SP= -.27E+01 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330706443967E+03 -0.59465E+00 -0.12020E-01 7680 0.238E+01 0.193E-01 RMM: 2 -0.330723617788E+03 -0.17174E-01 -0.13693E-01 4766 0.879E-01 0.855E-01 RMM: 3 -0.330718363927E+03 0.52539E-02 -0.16060E-02 5918 0.237E-01 0.154E-01 RMM: 4 -0.330718017540E+03 0.34639E-03 -0.79544E-04 4843 0.648E-02 0.114E-01 RMM: 5 -0.330717932961E+03 0.84579E-04 -0.11184E-04 3766 0.291E-02 0.671E-02 RMM: 6 -0.330717911498E+03 0.21463E-04 -0.27985E-05 2584 0.157E-02 0.465E-02 RMM: 7 -0.330717898475E+03 0.13023E-04 -0.40239E-05 2671 0.182E-02 7406 T= 6302. E= 0.67565569E+03 F= 0.62555109E+03 E0= 0.65378715E+03 EK= 0.51316E+02 SP= -.21E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331404124933E+03 -0.68621E+00 -0.10912E-01 7736 0.237E+01 0.178E-01 RMM: 2 -0.331417485922E+03 -0.13361E-01 -0.10098E-01 4977 0.743E-01 0.832E-01 RMM: 3 -0.331412605035E+03 0.48809E-02 -0.10880E-02 5828 0.204E-01 0.175E-01 RMM: 4 -0.331412307478E+03 0.29756E-03 -0.63168E-04 4694 0.570E-02 0.931E-02 RMM: 5 -0.331412253674E+03 0.53804E-04 -0.91690E-05 3612 0.257E-02 0.698E-02 RMM: 6 -0.331412229721E+03 0.23953E-04 -0.23713E-05 2563 0.149E-02 0.465E-02 RMM: 7 -0.331412228087E+03 0.16344E-05 -0.28849E-05 2615 0.157E-02 7407 T= 6310. E= 0.67565493E+03 F= 0.62485676E+03 E0= 0.65310372E+03 EK= 0.51381E+02 SP= -.14E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332177552278E+03 -0.76532E+00 -0.10579E-01 7912 0.236E+01 0.167E-01 RMM: 2 -0.332188516861E+03 -0.10965E-01 -0.90338E-02 5107 0.686E-01 0.691E-01 RMM: 3 -0.332184836308E+03 0.36806E-02 -0.86943E-03 5920 0.184E-01 0.138E-01 RMM: 4 -0.332184679544E+03 0.15676E-03 -0.51274E-04 4602 0.507E-02 0.107E-01 RMM: 5 -0.332184601417E+03 0.78127E-04 -0.72755E-05 3455 0.232E-02 0.619E-02 RMM: 6 -0.332184584249E+03 0.17168E-04 -0.22284E-05 2553 0.145E-02 7408 T= 6328. E= 0.67565362E+03 F= 0.62408441E+03 E0= 0.65234274E+03 EK= 0.51530E+02 SP= -.78E+00 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333010646242E+03 -0.82604E+00 -0.10636E-01 7968 0.236E+01 0.171E-01 RMM: 2 -0.333023366455E+03 -0.12720E-01 -0.89586E-02 5225 0.669E-01 0.850E-01 RMM: 3 -0.333017870197E+03 0.54963E-02 -0.80653E-03 5653 0.187E-01 0.167E-01 RMM: 4 -0.333017659267E+03 0.21093E-03 -0.56945E-04 4704 0.499E-02 0.794E-02 RMM: 5 -0.333017610481E+03 0.48786E-04 -0.65467E-05 3423 0.216E-02 0.658E-02 RMM: 6 -0.333017595993E+03 0.14488E-04 -0.23247E-05 2547 0.147E-02 7409 T= 6354. E= 0.67565132E+03 F= 0.62325139E+03 E0= 0.65152295E+03 EK= 0.51742E+02 SP= -.14E+00 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333874222866E+03 -0.85661E+00 -0.10724E-01 7896 0.236E+01 0.301E-01 RMM: 2 -0.333902011692E+03 -0.27789E-01 -0.90384E-02 5196 0.712E-01 0.174E+00 RMM: 3 -0.333880890489E+03 0.21121E-01 -0.12277E-02 5371 0.268E-01 0.292E-01 RMM: 4 -0.333880268845E+03 0.62164E-03 -0.13972E-03 4702 0.781E-02 0.763E-02 RMM: 5 -0.333880236011E+03 0.32834E-04 -0.15178E-04 4164 0.281E-02 0.765E-02 RMM: 6 -0.333880205459E+03 0.30552E-04 -0.27478E-05 2674 0.164E-02 0.481E-02 RMM: 7 -0.333880223890E+03 -0.18431E-04 -0.40012E-05 2915 0.182E-02 7410 T= 6384. E= 0.67564778E+03 F= 0.62238877E+03 E0= 0.65067616E+03 EK= 0.51986E+02 SP= 0.49E+00 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334720937158E+03 -0.84073E+00 -0.10771E-01 8160 0.237E+01 0.293E-01 RMM: 2 -0.334744932110E+03 -0.23995E-01 -0.94324E-02 5204 0.716E-01 0.157E+00 RMM: 3 -0.334727923211E+03 0.17009E-01 -0.11707E-02 5378 0.256E-01 0.304E-01 RMM: 4 -0.334727324581E+03 0.59863E-03 -0.15545E-03 4744 0.863E-02 0.115E-01 RMM: 5 -0.334727350124E+03 -0.25543E-04 -0.22865E-04 3891 0.381E-02 0.135E-01 RMM: 6 -0.334727223838E+03 0.12629E-03 -0.61673E-05 3376 0.236E-02 0.338E-02 RMM: 7 -0.334727224221E+03 -0.38306E-06 -0.18573E-05 2519 0.130E-02 7411 T= 6412. E= 0.67564403E+03 F= 0.62154177E+03 E0= 0.64984884E+03 EK= 0.52215E+02 SP= 0.11E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335496548138E+03 -0.76932E+00 -0.11122E-01 8376 0.237E+01 0.208E-01 RMM: 2 -0.335511954856E+03 -0.15407E-01 -0.96817E-02 5175 0.702E-01 0.103E+00 RMM: 3 -0.335504335286E+03 0.76196E-02 -0.97925E-03 5541 0.213E-01 0.185E-01 RMM: 4 -0.335504104913E+03 0.23037E-03 -0.80663E-04 4841 0.577E-02 0.885E-02 RMM: 5 -0.335504047055E+03 0.57859E-04 -0.97407E-05 3727 0.257E-02 0.713E-02 RMM: 6 -0.335504019111E+03 0.27943E-04 -0.26433E-05 2629 0.154E-02 0.445E-02 RMM: 7 -0.335504018989E+03 0.12232E-06 -0.22764E-05 2582 0.135E-02 7412 T= 6432. E= 0.67563982E+03 F= 0.62076497E+03 E0= 0.64909506E+03 EK= 0.52375E+02 SP= 0.17E+01 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336145068395E+03 -0.64105E+00 -0.11297E-01 8480 0.237E+01 0.170E-01 RMM: 2 -0.336157446145E+03 -0.12378E-01 -0.97905E-02 5077 0.712E-01 0.752E-01 RMM: 3 -0.336153252430E+03 0.41937E-02 -0.10047E-02 5913 0.197E-01 0.153E-01 RMM: 4 -0.336153025796E+03 0.22663E-03 -0.60698E-04 4661 0.538E-02 0.903E-02 RMM: 5 -0.336152975866E+03 0.49929E-04 -0.83676E-05 3543 0.251E-02 0.583E-02 RMM: 6 -0.336152960359E+03 0.15508E-04 -0.21881E-05 2558 0.137E-02 7413 T= 6436. E= 0.67563604E+03 F= 0.62011603E+03 E0= 0.64847373E+03 EK= 0.52409E+02 SP= 0.23E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336610635519E+03 -0.45766E+00 -0.12900E-01 8280 0.237E+01 0.186E-01 RMM: 2 -0.336629878902E+03 -0.19243E-01 -0.13939E-01 4820 0.850E-01 0.976E-01 RMM: 3 -0.336622895844E+03 0.69831E-02 -0.15571E-02 5823 0.241E-01 0.180E-01 RMM: 4 -0.336622497526E+03 0.39832E-03 -0.85764E-04 4782 0.651E-02 0.942E-02 RMM: 5 -0.336622441487E+03 0.56039E-04 -0.11367E-04 3891 0.283E-02 0.656E-02 RMM: 6 -0.336622424279E+03 0.17208E-04 -0.24260E-05 2555 0.142E-02 7414 T= 6418. E= 0.67563337E+03 F= 0.61964657E+03 E0= 0.64803396E+03 EK= 0.52267E+02 SP= 0.30E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336865721623E+03 -0.24328E+00 -0.12650E-01 8592 0.237E+01 0.284E-01 RMM: 2 -0.336891416488E+03 -0.25695E-01 -0.11277E-01 4919 0.788E-01 0.154E+00 RMM: 3 -0.336874742852E+03 0.16674E-01 -0.14469E-02 5413 0.278E-01 0.287E-01 RMM: 4 -0.336874131677E+03 0.61117E-03 -0.14668E-03 4879 0.782E-02 0.754E-02 RMM: 5 -0.336874106301E+03 0.25376E-04 -0.16619E-04 4233 0.296E-02 0.764E-02 RMM: 6 -0.336874075787E+03 0.30514E-04 -0.28795E-05 2650 0.162E-02 0.481E-02 RMM: 7 -0.336874097797E+03 -0.22010E-04 -0.41478E-05 2973 0.181E-02 0.855E-02 RMM: 8 -0.336874052088E+03 0.45708E-04 -0.46919E-05 2829 0.186E-02 0.296E-02 RMM: 9 -0.336874051347E+03 0.74184E-06 -0.16222E-05 2481 0.114E-02 7415 T= 6375. E= 0.67563142E+03 F= 0.61939494E+03 E0= 0.64781315E+03 EK= 0.51915E+02 SP= 0.36E+01 SK= 0.75E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336875210800E+03 -0.11587E-02 -0.14269E-01 8176 0.235E+01 0.223E-01 RMM: 2 -0.336895581803E+03 -0.20371E-01 -0.15710E-01 4820 0.909E-01 0.928E-01 RMM: 3 -0.336888708958E+03 0.68728E-02 -0.16814E-02 5687 0.259E-01 0.200E-01 RMM: 4 -0.336888508896E+03 0.20006E-03 -0.13385E-03 4948 0.837E-02 0.195E-01 RMM: 5 -0.336888298402E+03 0.21049E-03 -0.25214E-04 3909 0.410E-02 0.918E-02 RMM: 6 -0.336888243295E+03 0.55107E-04 -0.52396E-05 3239 0.213E-02 0.301E-02 RMM: 7 -0.336888256148E+03 -0.12853E-04 -0.21261E-05 2542 0.140E-02 7416 T= 6304. E= 0.67563114E+03 F= 0.61938073E+03 E0= 0.64782695E+03 EK= 0.51336E+02 SP= 0.42E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336656471270E+03 0.23177E+00 -0.13611E-01 8640 0.234E+01 0.161E-01 RMM: 2 -0.336671528163E+03 -0.15057E-01 -0.12675E-01 4929 0.805E-01 0.718E-01 RMM: 3 -0.336667449490E+03 0.40787E-02 -0.13223E-02 6109 0.219E-01 0.137E-01 RMM: 4 -0.336667157646E+03 0.29184E-03 -0.60414E-04 4791 0.553E-02 0.847E-02 RMM: 5 -0.336667109991E+03 0.47655E-04 -0.80180E-05 3556 0.252E-02 0.534E-02 RMM: 6 -0.336667101047E+03 0.89439E-05 -0.21576E-05 2537 0.137E-02 7417 T= 6206. E= 0.67563322E+03 F= 0.61960189E+03 E0= 0.64807143E+03 EK= 0.50540E+02 SP= 0.48E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336229994782E+03 0.43712E+00 -0.13453E-01 8504 0.231E+01 0.206E-01 RMM: 2 -0.336250677569E+03 -0.20683E-01 -0.11946E-01 5024 0.767E-01 0.119E+00 RMM: 3 -0.336240024074E+03 0.10653E-01 -0.12137E-02 5568 0.233E-01 0.175E-01 RMM: 4 -0.336239760462E+03 0.26361E-03 -0.89106E-04 4970 0.608E-02 0.811E-02 RMM: 5 -0.336239723678E+03 0.36784E-04 -0.98678E-05 3828 0.260E-02 0.671E-02 RMM: 6 -0.336239702292E+03 0.21387E-04 -0.23391E-05 2559 0.144E-02 0.458E-02 RMM: 7 -0.336239715237E+03 -0.12945E-04 -0.36969E-05 2914 0.179E-02 7418 T= 6086. E= 0.67563662E+03 F= 0.62002927E+03 E0= 0.64851573E+03 EK= 0.49559E+02 SP= 0.54E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335649149347E+03 0.59055E+00 -0.12529E-01 8576 0.229E+01 0.240E-01 RMM: 2 -0.335670929922E+03 -0.21781E-01 -0.12071E-01 5022 0.776E-01 0.128E+00 RMM: 3 -0.335659013929E+03 0.11916E-01 -0.12478E-02 5584 0.235E-01 0.214E-01 RMM: 4 -0.335658707773E+03 0.30616E-03 -0.11812E-03 4715 0.759E-02 0.133E-01 RMM: 5 -0.335658665164E+03 0.42610E-04 -0.18315E-04 3884 0.337E-02 0.113E-01 RMM: 6 -0.335658579984E+03 0.85180E-04 -0.47599E-05 3158 0.208E-02 0.263E-02 RMM: 7 -0.335658584988E+03 -0.50038E-05 -0.16796E-05 2514 0.127E-02 7419 T= 5950. E= 0.67564211E+03 F= 0.62061040E+03 E0= 0.64910704E+03 EK= 0.48453E+02 SP= 0.59E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334985773680E+03 0.67281E+00 -0.12603E-01 8488 0.226E+01 0.179E-01 RMM: 2 -0.335001418746E+03 -0.15645E-01 -0.12131E-01 5184 0.761E-01 0.813E-01 RMM: 3 -0.334996037599E+03 0.53811E-02 -0.11184E-02 5885 0.205E-01 0.148E-01 RMM: 4 -0.334995788514E+03 0.24908E-03 -0.62330E-04 4733 0.552E-02 0.944E-02 RMM: 5 -0.334995732931E+03 0.55583E-04 -0.87742E-05 3661 0.242E-02 0.656E-02 RMM: 6 -0.334995711398E+03 0.21533E-04 -0.24986E-05 2559 0.153E-02 0.382E-02 RMM: 7 -0.334995717460E+03 -0.60616E-05 -0.20469E-05 2531 0.134E-02 7420 T= 5808. E= 0.67564800E+03 F= 0.62127327E+03 E0= 0.64977297E+03 EK= 0.47297E+02 SP= 0.65E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334321296022E+03 0.67442E+00 -0.12410E-01 8424 0.223E+01 0.160E-01 RMM: 2 -0.334335488599E+03 -0.14193E-01 -0.11985E-01 5079 0.762E-01 0.681E-01 RMM: 3 -0.334331586696E+03 0.39019E-02 -0.11541E-02 6201 0.195E-01 0.140E-01 RMM: 4 -0.334331297638E+03 0.28906E-03 -0.53543E-04 4581 0.544E-02 0.960E-02 RMM: 5 -0.334331243989E+03 0.53649E-04 -0.79945E-05 3490 0.255E-02 0.571E-02 RMM: 6 -0.334331226961E+03 0.17028E-04 -0.21601E-05 2548 0.142E-02 7421 T= 5670. E= 0.67565403E+03 F= 0.62193776E+03 E0= 0.65043561E+03 EK= 0.46175E+02 SP= 0.70E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333735200626E+03 0.59604E+00 -0.12499E-01 8432 0.220E+01 0.167E-01 RMM: 2 -0.333750277572E+03 -0.15077E-01 -0.11410E-01 5126 0.743E-01 0.828E-01 RMM: 3 -0.333744886729E+03 0.53908E-02 -0.10787E-02 5913 0.198E-01 0.135E-01 RMM: 4 -0.333744644310E+03 0.24242E-03 -0.56440E-04 4726 0.518E-02 0.857E-02 RMM: 5 -0.333744594308E+03 0.50002E-04 -0.73338E-05 3580 0.233E-02 0.579E-02 RMM: 6 -0.333744582013E+03 0.12296E-04 -0.21141E-05 2539 0.138E-02 7422 T= 5546. E= 0.67565882E+03 F= 0.62252441E+03 E0= 0.65101702E+03 EK= 0.45167E+02 SP= 0.75E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333293978270E+03 0.45062E+00 -0.11636E-01 8632 0.218E+01 0.250E-01 RMM: 2 -0.333315150231E+03 -0.21172E-01 -0.91915E-02 5203 0.670E-01 0.138E+00 RMM: 3 -0.333301065242E+03 0.14085E-01 -0.98399E-03 5395 0.228E-01 0.244E-01 RMM: 4 -0.333300637703E+03 0.42754E-03 -0.10815E-03 4763 0.668E-02 0.694E-02 RMM: 5 -0.333300630191E+03 0.75118E-05 -0.12044E-04 3837 0.276E-02 7423 T= 5445. E= 0.67566268E+03 F= 0.62296836E+03 E0= 0.65145396E+03 EK= 0.44341E+02 SP= 0.80E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333034830565E+03 0.26581E+00 -0.11750E-01 8840 0.217E+01 0.209E-01 RMM: 2 -0.333051837209E+03 -0.17007E-01 -0.95297E-02 5182 0.676E-01 0.111E+00 RMM: 3 -0.333042631602E+03 0.92056E-02 -0.92156E-03 5406 0.214E-01 0.238E-01 RMM: 4 -0.333042232070E+03 0.39953E-03 -0.93542E-04 4845 0.622E-02 0.767E-02 RMM: 5 -0.333042207146E+03 0.24923E-04 -0.10620E-04 3832 0.263E-02 0.757E-02 RMM: 6 -0.333042176088E+03 0.31058E-04 -0.24318E-05 2579 0.147E-02 0.484E-02 RMM: 7 -0.333042190122E+03 -0.14033E-04 -0.26901E-05 2640 0.150E-02 7424 T= 5371. E= 0.67566451E+03 F= 0.62322680E+03 E0= 0.65170509E+03 EK= 0.43737E+02 SP= 0.84E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332979589505E+03 0.62587E-01 -0.11011E-01 8640 0.217E+01 0.222E-01 RMM: 2 -0.332993278857E+03 -0.13689E-01 -0.88453E-02 5014 0.667E-01 0.966E-01 RMM: 3 -0.332986510062E+03 0.67688E-02 -0.88585E-03 5665 0.198E-01 0.179E-01 RMM: 4 -0.332986346394E+03 0.16367E-03 -0.80692E-04 4674 0.621E-02 0.143E-01 RMM: 5 -0.332986277161E+03 0.69233E-04 -0.14514E-04 3841 0.304E-02 0.104E-01 RMM: 6 -0.332986205642E+03 0.71519E-04 -0.44948E-05 3163 0.207E-02 0.231E-02 RMM: 7 -0.332986207419E+03 -0.17764E-05 -0.11486E-05 2485 0.102E-02 7425 T= 5326. E= 0.67566442E+03 F= 0.62328278E+03 E0= 0.65175519E+03 EK= 0.43374E+02 SP= 0.88E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333119689036E+03 -0.13348E+00 -0.11047E-01 8520 0.217E+01 0.179E-01 RMM: 2 -0.333132214840E+03 -0.12526E-01 -0.97976E-02 5102 0.710E-01 0.761E-01 RMM: 3 -0.333127975536E+03 0.42393E-02 -0.10093E-02 5946 0.191E-01 0.160E-01 RMM: 4 -0.333127666000E+03 0.30954E-03 -0.56679E-04 4660 0.525E-02 0.939E-02 RMM: 5 -0.333127607025E+03 0.58974E-04 -0.84403E-05 3607 0.246E-02 0.674E-02 RMM: 6 -0.333127579195E+03 0.27830E-04 -0.23612E-05 2562 0.146E-02 0.429E-02 RMM: 7 -0.333127572636E+03 0.65584E-05 -0.27027E-05 2581 0.145E-02 7426 T= 5310. E= 0.67566294E+03 F= 0.62314142E+03 E0= 0.65160910E+03 EK= 0.43245E+02 SP= 0.91E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333436741313E+03 -0.30916E+00 -0.10980E-01 8304 0.218E+01 0.173E-01 RMM: 2 -0.333449275851E+03 -0.12535E-01 -0.97497E-02 4923 0.718E-01 0.756E-01 RMM: 3 -0.333445110751E+03 0.41651E-02 -0.10713E-02 5923 0.195E-01 0.158E-01 RMM: 4 -0.333444791705E+03 0.31905E-03 -0.57953E-04 4765 0.538E-02 0.812E-02 RMM: 5 -0.333444762379E+03 0.29326E-04 -0.80605E-05 3568 0.242E-02 0.661E-02 RMM: 6 -0.333444738909E+03 0.23470E-04 -0.22299E-05 2561 0.146E-02 0.360E-02 RMM: 7 -0.333444744021E+03 -0.51122E-05 -0.15249E-05 2499 0.118E-02 7427 T= 5321. E= 0.67566050E+03 F= 0.62282425E+03 E0= 0.65128903E+03 EK= 0.43329E+02 SP= 0.94E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333899857603E+03 -0.45512E+00 -0.10433E-01 8336 0.220E+01 0.186E-01 RMM: 2 -0.333911267168E+03 -0.11410E-01 -0.87011E-02 5152 0.666E-01 0.765E-01 RMM: 3 -0.333906901867E+03 0.43653E-02 -0.85458E-03 5849 0.180E-01 0.149E-01 RMM: 4 -0.333906714742E+03 0.18712E-03 -0.58080E-04 4652 0.544E-02 0.124E-01 RMM: 5 -0.333906625886E+03 0.88856E-04 -0.10156E-04 3699 0.266E-02 0.720E-02 RMM: 6 -0.333906592731E+03 0.33155E-04 -0.26261E-05 2724 0.159E-02 0.311E-02 RMM: 7 -0.333906592259E+03 0.47164E-06 -0.13757E-05 2487 0.108E-02 7428 T= 5353. E= 0.67565766E+03 F= 0.62236240E+03 E0= 0.65082531E+03 EK= 0.43592E+02 SP= 0.96E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334469087262E+03 -0.56249E+00 -0.10386E-01 8120 0.221E+01 0.155E-01 RMM: 2 -0.334479626378E+03 -0.10539E-01 -0.85858E-02 5065 0.674E-01 0.667E-01 RMM: 3 -0.334476388531E+03 0.32378E-02 -0.88245E-03 5982 0.174E-01 0.141E-01 RMM: 4 -0.334476134501E+03 0.25403E-03 -0.45930E-04 4464 0.500E-02 0.924E-02 RMM: 5 -0.334476082266E+03 0.52235E-04 -0.72407E-05 3452 0.239E-02 0.632E-02 RMM: 6 -0.334476063111E+03 0.19154E-04 -0.21328E-05 2543 0.140E-02 7429 T= 5403. E= 0.67565467E+03 F= 0.62179293E+03 E0= 0.65025451E+03 EK= 0.43999E+02 SP= 0.98E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335106328731E+03 -0.63025E+00 -0.10363E-01 7968 0.223E+01 0.175E-01 RMM: 2 -0.335118875166E+03 -0.12546E-01 -0.81600E-02 5122 0.648E-01 0.890E-01 RMM: 3 -0.335113140935E+03 0.57342E-02 -0.81947E-03 5680 0.184E-01 0.187E-01 RMM: 4 -0.335112846688E+03 0.29425E-03 -0.61117E-04 4648 0.533E-02 0.780E-02 RMM: 5 -0.335112812860E+03 0.33828E-04 -0.80698E-05 3640 0.231E-02 0.651E-02 RMM: 6 -0.335112791900E+03 0.20960E-04 -0.20047E-05 2541 0.135E-02 0.501E-02 RMM: 7 -0.335112797314E+03 -0.54136E-05 -0.29802E-05 2621 0.164E-02 7430 T= 5465. E= 0.67565177E+03 F= 0.62115619E+03 E0= 0.64961684E+03 EK= 0.44506E+02 SP= 0.10E+02 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335769512079E+03 -0.65672E+00 -0.10412E-01 7856 0.224E+01 0.261E-01 RMM: 2 -0.335787725392E+03 -0.18213E-01 -0.86611E-02 5032 0.710E-01 0.129E+00 RMM: 3 -0.335776247782E+03 0.11478E-01 -0.10527E-02 5495 0.225E-01 0.240E-01 RMM: 4 -0.335775848109E+03 0.39967E-03 -0.11448E-03 4693 0.742E-02 0.114E-01 RMM: 5 -0.335775872906E+03 -0.24797E-04 -0.19026E-04 3879 0.344E-02 0.131E-01 RMM: 6 -0.335775758799E+03 0.11411E-03 -0.60212E-05 3367 0.232E-02 0.306E-02 RMM: 7 -0.335775756259E+03 0.25402E-05 -0.13455E-05 2498 0.110E-02 7431 T= 5535. E= 0.67564861E+03 F= 0.62049323E+03 E0= 0.64895360E+03 EK= 0.45070E+02 SP= 0.10E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336415439850E+03 -0.63968E+00 -0.10507E-01 7840 0.226E+01 0.164E-01 RMM: 2 -0.336426612949E+03 -0.11173E-01 -0.80930E-02 5147 0.650E-01 0.791E-01 RMM: 3 -0.336422138868E+03 0.44741E-02 -0.79013E-03 5729 0.176E-01 0.154E-01 RMM: 4 -0.336421917270E+03 0.22160E-03 -0.50547E-04 4589 0.490E-02 0.844E-02 RMM: 5 -0.336421870733E+03 0.46537E-04 -0.73057E-05 3500 0.233E-02 0.649E-02 RMM: 6 -0.336421847325E+03 0.23408E-04 -0.22614E-05 2549 0.146E-02 0.408E-02 RMM: 7 -0.336421844705E+03 0.26197E-05 -0.22864E-05 2540 0.135E-02 7432 T= 5606. E= 0.67564577E+03 F= 0.61984714E+03 E0= 0.64830734E+03 EK= 0.45649E+02 SP= 0.10E+02 SK= 0.68E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337005252422E+03 -0.58341E+00 -0.10544E-01 8056 0.227E+01 0.154E-01 RMM: 2 -0.337015439047E+03 -0.10187E-01 -0.83066E-02 5012 0.672E-01 0.659E-01 RMM: 3 -0.337012317982E+03 0.31211E-02 -0.90902E-03 5882 0.179E-01 0.135E-01 RMM: 4 -0.337012095219E+03 0.22276E-03 -0.47290E-04 4605 0.482E-02 0.782E-02 RMM: 5 -0.337012068823E+03 0.26396E-04 -0.67853E-05 3434 0.241E-02 0.625E-02 RMM: 6 -0.337012047845E+03 0.20978E-04 -0.22460E-05 2554 0.147E-02 0.335E-02 RMM: 7 -0.337012051578E+03 -0.37330E-05 -0.14476E-05 2490 0.119E-02 7433 T= 5673. E= 0.67564304E+03 F= 0.61925694E+03 E0= 0.64771825E+03 EK= 0.46201E+02 SP= 0.10E+02 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337506006065E+03 -0.49396E+00 -0.10889E-01 7960 0.228E+01 0.153E-01 RMM: 2 -0.337516936768E+03 -0.10931E-01 -0.96545E-02 4988 0.724E-01 0.606E-01 RMM: 3 -0.337514190157E+03 0.27466E-02 -0.10192E-02 6023 0.184E-01 0.119E-01 RMM: 4 -0.337513997465E+03 0.19269E-03 -0.49255E-04 4545 0.524E-02 0.110E-01 RMM: 5 -0.337513925370E+03 0.72095E-04 -0.79484E-05 3507 0.264E-02 0.628E-02 RMM: 6 -0.337513903668E+03 0.21702E-04 -0.23116E-05 2542 0.147E-02 0.319E-02 RMM: 7 -0.337513903209E+03 0.45908E-06 -0.14542E-05 2482 0.118E-02 7434 T= 5734. E= 0.67564104E+03 F= 0.61875509E+03 E0= 0.64721791E+03 EK= 0.46693E+02 SP= 0.10E+02 SK= 0.55E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.337898532240E+03 -0.38463E+00 -0.10260E-01 8128 0.229E+01 0.137E-01 RMM: 2 -0.337908004449E+03 -0.94722E-02 -0.82485E-02 4954 0.671E-01 0.570E-01 RMM: 3 -0.337905514921E+03 0.24895E-02 -0.87432E-03 5960 0.178E-01 0.121E-01 RMM: 4 -0.337905337216E+03 0.17771E-03 -0.38427E-04 4546 0.455E-02 0.835E-02 RMM: 5 -0.337905293672E+03 0.43544E-04 -0.56035E-05 3245 0.230E-02 0.579E-02 RMM: 6 -0.337905279734E+03 0.13938E-04 -0.22713E-05 2534 0.147E-02 7435 T= 5784. E= 0.67564030E+03 F= 0.61836371E+03 E0= 0.64682880E+03 EK= 0.47101E+02 SP= 0.10E+02 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338174091893E+03 -0.26880E+00 -0.10407E-01 8024 0.229E+01 0.200E-01 RMM: 2 -0.338189576621E+03 -0.15485E-01 -0.92223E-02 4929 0.711E-01 0.105E+00 RMM: 3 -0.338181746115E+03 0.78305E-02 -0.10669E-02 5492 0.220E-01 0.189E-01 RMM: 4 -0.338181470154E+03 0.27596E-03 -0.81310E-04 4818 0.588E-02 0.716E-02 RMM: 5 -0.338181440295E+03 0.29860E-04 -0.91559E-05 3770 0.253E-02 0.657E-02 RMM: 6 -0.338181420067E+03 0.20228E-04 -0.22214E-05 2543 0.144E-02 0.454E-02 RMM: 7 -0.338181426069E+03 -0.60020E-05 -0.18792E-05 2522 0.134E-02 7436 T= 5823. E= 0.67564143E+03 F= 0.61808756E+03 E0= 0.64655543E+03 EK= 0.47421E+02 SP= 0.10E+02 SK= 0.73E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338354026881E+03 -0.17261E+00 -0.10523E-01 7912 0.229E+01 0.213E-01 RMM: 2 -0.338369597296E+03 -0.15570E-01 -0.86823E-02 4983 0.698E-01 0.110E+00 RMM: 3 -0.338361021573E+03 0.85757E-02 -0.98207E-03 5533 0.212E-01 0.200E-01 RMM: 4 -0.338360737595E+03 0.28398E-03 -0.88091E-04 4697 0.660E-02 0.103E-01 RMM: 5 -0.338360720842E+03 0.16753E-04 -0.12931E-04 3824 0.300E-02 7437 T= 5854. E= 0.67564416E+03 F= 0.61790827E+03 E0= 0.64637849E+03 EK= 0.47669E+02 SP= 0.10E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338475235200E+03 -0.11450E+00 -0.10859E-01 7880 0.229E+01 0.166E-01 RMM: 2 -0.338488596016E+03 -0.13361E-01 -0.97329E-02 4974 0.716E-01 0.831E-01 RMM: 3 -0.338483468685E+03 0.51273E-02 -0.10395E-02 5694 0.206E-01 0.150E-01 RMM: 4 -0.338483249737E+03 0.21895E-03 -0.57963E-04 5006 0.498E-02 0.818E-02 RMM: 5 -0.338483195163E+03 0.54574E-04 -0.60461E-05 3200 0.229E-02 0.679E-02 RMM: 6 -0.338483179716E+03 0.15446E-04 -0.27609E-05 2555 0.161E-02 7438 T= 5880. E= 0.67564844E+03 F= 0.61778581E+03 E0= 0.64625783E+03 EK= 0.47884E+02 SP= 0.10E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338603773916E+03 -0.12058E+00 -0.11412E-01 7920 0.228E+01 0.250E-01 RMM: 2 -0.338630650928E+03 -0.26877E-01 -0.98758E-02 4848 0.740E-01 0.161E+00 RMM: 3 -0.338611880334E+03 0.18771E-01 -0.13721E-02 5378 0.270E-01 0.196E-01 RMM: 4 -0.338611656613E+03 0.22372E-03 -0.13737E-03 5122 0.692E-02 0.958E-02 RMM: 5 -0.338611604596E+03 0.52017E-04 -0.11480E-04 3807 0.283E-02 0.767E-02 RMM: 6 -0.338611569651E+03 0.34945E-04 -0.27269E-05 2639 0.160E-02 0.409E-02 RMM: 7 -0.338611572513E+03 -0.28613E-05 -0.18117E-05 2507 0.136E-02 7439 T= 5910. E= 0.67565327E+03 F= 0.61765742E+03 E0= 0.64613040E+03 EK= 0.48127E+02 SP= 0.98E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338814301132E+03 -0.20273E+00 -0.10732E-01 7920 0.228E+01 0.373E-01 RMM: 2 -0.338852743413E+03 -0.38442E-01 -0.10541E-01 5044 0.795E-01 0.211E+00 RMM: 3 -0.338821702310E+03 0.31041E-01 -0.16454E-02 5379 0.312E-01 0.353E-01 RMM: 4 -0.338820780467E+03 0.92184E-03 -0.20237E-03 4958 0.965E-02 0.112E-01 RMM: 5 -0.338820872599E+03 -0.92132E-04 -0.28944E-04 3900 0.412E-02 0.163E-01 RMM: 6 -0.338820689774E+03 0.18283E-03 -0.85558E-05 3614 0.269E-02 0.416E-02 RMM: 7 -0.338820681386E+03 0.83875E-05 -0.17583E-05 2537 0.124E-02 7440 T= 5952. E= 0.67565788E+03 F= 0.61744831E+03 E0= 0.64592003E+03 EK= 0.48473E+02 SP= 0.97E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339171009795E+03 -0.35032E+00 -0.10376E-01 8056 0.228E+01 0.187E-01 RMM: 2 -0.339185847591E+03 -0.14838E-01 -0.88240E-02 5073 0.689E-01 0.102E+00 RMM: 3 -0.339178425761E+03 0.74218E-02 -0.93526E-03 5484 0.207E-01 0.168E-01 RMM: 4 -0.339178224794E+03 0.20097E-03 -0.73675E-04 4846 0.558E-02 0.903E-02 RMM: 5 -0.339178177913E+03 0.46882E-04 -0.88609E-05 3669 0.255E-02 0.675E-02 RMM: 6 -0.339178151678E+03 0.26235E-04 -0.24076E-05 2566 0.148E-02 0.432E-02 RMM: 7 -0.339178156750E+03 -0.50715E-05 -0.22244E-05 2553 0.139E-02 7441 T= 6015. E= 0.67566058E+03 F= 0.61709083E+03 E0= 0.64555922E+03 EK= 0.48985E+02 SP= 0.95E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339718101486E+03 -0.53995E+00 -0.10631E-01 8016 0.229E+01 0.197E-01 RMM: 2 -0.339732892097E+03 -0.14791E-01 -0.10551E-01 4857 0.787E-01 0.915E-01 RMM: 3 -0.339727115049E+03 0.57770E-02 -0.12250E-02 5715 0.222E-01 0.203E-01 RMM: 4 -0.339726709463E+03 0.40559E-03 -0.77125E-04 4861 0.619E-02 0.743E-02 RMM: 5 -0.339726718110E+03 -0.86468E-05 -0.12015E-04 3786 0.297E-02 7442 T= 6104. E= 0.67566155E+03 F= 0.61654227E+03 E0= 0.64500411E+03 EK= 0.49706E+02 SP= 0.93E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340460481132E+03 -0.73377E+00 -0.10893E-01 7872 0.230E+01 0.135E-01 RMM: 2 -0.340473512174E+03 -0.13031E-01 -0.11794E-01 4817 0.821E-01 0.582E-01 RMM: 3 -0.340471213739E+03 0.22984E-02 -0.13795E-02 6150 0.210E-01 0.149E-01 RMM: 4 -0.340470834315E+03 0.37942E-03 -0.49747E-04 4772 0.541E-02 0.775E-02 RMM: 5 -0.340470798807E+03 0.35508E-04 -0.64976E-05 3238 0.248E-02 0.707E-02 RMM: 6 -0.340470787242E+03 0.11565E-04 -0.24884E-05 2546 0.150E-02 7443 T= 6218. E= 0.67565931E+03 F= 0.61579820E+03 E0= 0.64425008E+03 EK= 0.50636E+02 SP= 0.91E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341358175015E+03 -0.88738E+00 -0.11231E-01 7576 0.233E+01 0.267E-01 RMM: 2 -0.341386553393E+03 -0.28378E-01 -0.12746E-01 4747 0.859E-01 0.159E+00 RMM: 3 -0.341368754435E+03 0.17799E-01 -0.16114E-02 5432 0.284E-01 0.230E-01 RMM: 4 -0.341368364639E+03 0.38980E-03 -0.14487E-03 5024 0.740E-02 0.805E-02 RMM: 5 -0.341368372900E+03 -0.82613E-05 -0.16667E-04 3891 0.349E-02 7444 T= 6353. E= 0.67565420E+03 F= 0.61490062E+03 E0= 0.64333893E+03 EK= 0.51732E+02 SP= 0.89E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342329329261E+03 -0.96096E+00 -0.11273E-01 7736 0.236E+01 0.293E-01 RMM: 2 -0.342357464263E+03 -0.28135E-01 -0.12657E-01 4963 0.884E-01 0.162E+00 RMM: 3 -0.342339535931E+03 0.17928E-01 -0.15789E-02 5433 0.290E-01 0.317E-01 RMM: 4 -0.342338815490E+03 0.72044E-03 -0.15244E-03 4870 0.817E-02 0.939E-02 RMM: 5 -0.342338791042E+03 0.24448E-04 -0.19927E-04 3896 0.365E-02 0.106E-01 RMM: 6 -0.342338726038E+03 0.65004E-04 -0.52512E-05 3184 0.209E-02 0.604E-02 RMM: 7 -0.342338727637E+03 -0.15991E-05 -0.29012E-05 2592 0.160E-02 7445 T= 6497. E= 0.67564753E+03 F= 0.61393026E+03 E0= 0.64235050E+03 EK= 0.52908E+02 SP= 0.87E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.343267197249E+03 -0.92847E+00 -0.12008E-01 7632 0.239E+01 0.241E-01 RMM: 2 -0.343288945717E+03 -0.21748E-01 -0.14362E-01 4727 0.919E-01 0.117E+00 RMM: 3 -0.343279546878E+03 0.93988E-02 -0.16991E-02 5666 0.264E-01 0.213E-01 RMM: 4 -0.343279108188E+03 0.43869E-03 -0.11137E-03 4905 0.725E-02 0.104E-01 RMM: 5 -0.343279082529E+03 0.25659E-04 -0.17275E-04 3881 0.347E-02 0.948E-02 RMM: 6 -0.343279026002E+03 0.56527E-04 -0.48157E-05 3163 0.203E-02 0.297E-02 RMM: 7 -0.343279028704E+03 -0.27022E-05 -0.15514E-05 2505 0.128E-02 7446 T= 6638. E= 0.67563980E+03 F= 0.61298996E+03 E0= 0.64138937E+03 EK= 0.54059E+02 SP= 0.85E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344073765417E+03 -0.79474E+00 -0.11504E-01 7888 0.242E+01 0.199E-01 RMM: 2 -0.344088522741E+03 -0.14757E-01 -0.12174E-01 5076 0.848E-01 0.822E-01 RMM: 3 -0.344084181372E+03 0.43414E-02 -0.13064E-02 5889 0.217E-01 0.172E-01 RMM: 4 -0.344083831411E+03 0.34996E-03 -0.72953E-04 4746 0.635E-02 0.127E-01 RMM: 5 -0.344083712854E+03 0.11856E-03 -0.13425E-04 3871 0.312E-02 0.734E-02 RMM: 6 -0.344083689012E+03 0.23842E-04 -0.27063E-05 2593 0.154E-02 0.549E-02 RMM: 7 -0.344083669442E+03 0.19570E-04 -0.29890E-05 2560 0.163E-02 7447 T= 6763. E= 0.67563371E+03 F= 0.61218532E+03 E0= 0.64055939E+03 EK= 0.55074E+02 SP= 0.83E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344656958495E+03 -0.57327E+00 -0.12400E-01 7792 0.244E+01 0.192E-01 RMM: 2 -0.344673313769E+03 -0.16355E-01 -0.13439E-01 4912 0.887E-01 0.838E-01 RMM: 3 -0.344668646212E+03 0.46676E-02 -0.15189E-02 5931 0.232E-01 0.170E-01 RMM: 4 -0.344668242615E+03 0.40360E-03 -0.73270E-04 4907 0.620E-02 0.977E-02 RMM: 5 -0.344668185133E+03 0.57481E-04 -0.10182E-04 3776 0.281E-02 0.729E-02 RMM: 6 -0.344668162318E+03 0.22815E-04 -0.25173E-05 2557 0.151E-02 0.505E-02 RMM: 7 -0.344668153196E+03 0.91218E-05 -0.32222E-05 2613 0.171E-02 7448 T= 6860. E= 0.67562909E+03 F= 0.61160084E+03 E0= 0.63994791E+03 EK= 0.55863E+02 SP= 0.81E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344965827238E+03 -0.29766E+00 -0.12177E-01 7688 0.245E+01 0.208E-01 RMM: 2 -0.344981042997E+03 -0.15216E-01 -0.13149E-01 4894 0.891E-01 0.782E-01 RMM: 3 -0.344977133272E+03 0.39097E-02 -0.15199E-02 5913 0.235E-01 0.140E-01 RMM: 4 -0.344976902069E+03 0.23120E-03 -0.78695E-04 4819 0.666E-02 0.164E-01 RMM: 5 -0.344976725797E+03 0.17627E-03 -0.14218E-04 3879 0.336E-02 0.680E-02 RMM: 6 -0.344976702814E+03 0.22983E-04 -0.28754E-05 2638 0.161E-02 0.406E-02 RMM: 7 -0.344976693625E+03 0.91890E-05 -0.23718E-05 2523 0.150E-02 7449 T= 6922. E= 0.67562718E+03 F= 0.61129230E+03 E0= 0.63961108E+03 EK= 0.56367E+02 SP= 0.79E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344977885472E+03 -0.11827E-02 -0.12209E-01 7784 0.245E+01 0.170E-01 RMM: 2 -0.344991430689E+03 -0.13545E-01 -0.12194E-01 4855 0.858E-01 0.657E-01 RMM: 3 -0.344988654822E+03 0.27759E-02 -0.14065E-02 5981 0.224E-01 0.129E-01 RMM: 4 -0.344988403126E+03 0.25170E-03 -0.60265E-04 4704 0.628E-02 0.129E-01 RMM: 5 -0.344988294062E+03 0.10906E-03 -0.97863E-05 3665 0.302E-02 0.670E-02 RMM: 6 -0.344988276734E+03 0.17327E-04 -0.26400E-05 2553 0.154E-02 7450 T= 6946. E= 0.67562820E+03 F= 0.61128071E+03 E0= 0.63957114E+03 EK= 0.56562E+02 SP= 0.77E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344705243644E+03 0.28305E+00 -0.12292E-01 7640 0.244E+01 0.207E-01 RMM: 2 -0.344724135539E+03 -0.18892E-01 -0.11457E-01 4844 0.834E-01 0.113E+00 RMM: 3 -0.344715142796E+03 0.89927E-02 -0.13903E-02 5520 0.254E-01 0.184E-01 RMM: 4 -0.344714877334E+03 0.26546E-03 -0.85486E-04 4790 0.654E-02 0.951E-02 RMM: 5 -0.344714816432E+03 0.60902E-04 -0.10816E-04 3939 0.295E-02 0.656E-02 RMM: 6 -0.344714798646E+03 0.17787E-04 -0.24191E-05 2554 0.147E-02 7451 T= 6933. E= 0.67563156E+03 F= 0.61155419E+03 E0= 0.63981767E+03 EK= 0.56455E+02 SP= 0.76E+01 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.344184285279E+03 0.53053E+00 -0.12357E-01 7648 0.243E+01 0.308E-01 RMM: 2 -0.344216734850E+03 -0.32450E-01 -0.11742E-01 4805 0.875E-01 0.183E+00 RMM: 3 -0.344193826042E+03 0.22909E-01 -0.17928E-02 5388 0.319E-01 0.238E-01 RMM: 4 -0.344193446027E+03 0.38002E-03 -0.15329E-03 4857 0.825E-02 0.106E-01 RMM: 5 -0.344193378892E+03 0.67135E-04 -0.15850E-04 4085 0.320E-02 0.857E-02 RMM: 6 -0.344193339345E+03 0.39547E-04 -0.34506E-05 2855 0.183E-02 0.486E-02 RMM: 7 -0.344193348903E+03 -0.95574E-05 -0.31602E-05 2594 0.168E-02 7452 T= 6887. E= 0.67563607E+03 F= 0.61207564E+03 E0= 0.64031438E+03 EK= 0.56083E+02 SP= 0.74E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.343468759909E+03 0.72458E+00 -0.12153E-01 7608 0.242E+01 0.241E-01 RMM: 2 -0.343489645657E+03 -0.20886E-01 -0.11443E-01 4760 0.845E-01 0.127E+00 RMM: 3 -0.343478421755E+03 0.11224E-01 -0.15522E-02 5385 0.290E-01 0.254E-01 RMM: 4 -0.343478069241E+03 0.35251E-03 -0.13400E-03 4967 0.815E-02 0.124E-01 RMM: 5 -0.343478015593E+03 0.53648E-04 -0.17615E-04 3933 0.357E-02 0.100E-01 RMM: 6 -0.343477948445E+03 0.67148E-04 -0.41397E-05 3043 0.199E-02 0.325E-02 RMM: 7 -0.343477951731E+03 -0.32862E-05 -0.16802E-05 2511 0.126E-02 7453 T= 6815. E= 0.67564113E+03 F= 0.61279104E+03 E0= 0.64100942E+03 EK= 0.55501E+02 SP= 0.73E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.342617287810E+03 0.86066E+00 -0.12466E-01 7960 0.240E+01 0.187E-01 RMM: 2 -0.342635270628E+03 -0.17983E-01 -0.13658E-01 4741 0.914E-01 0.909E-01 RMM: 3 -0.342629306037E+03 0.59646E-02 -0.16514E-02 5664 0.265E-01 0.170E-01 RMM: 4 -0.342629025344E+03 0.28069E-03 -0.80854E-04 4828 0.674E-02 0.977E-02 RMM: 5 -0.342628963929E+03 0.61415E-04 -0.10910E-04 3852 0.301E-02 0.723E-02 RMM: 6 -0.342628938474E+03 0.25455E-04 -0.30337E-05 2628 0.171E-02 0.465E-02 RMM: 7 -0.342628937227E+03 0.12471E-05 -0.28538E-05 2554 0.158E-02 7454 T= 6726. E= 0.67564664E+03 F= 0.61364005E+03 E0= 0.64184211E+03 EK= 0.54772E+02 SP= 0.72E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341699261464E+03 0.92968E+00 -0.12503E-01 7920 0.238E+01 0.161E-01 RMM: 2 -0.341713364819E+03 -0.14103E-01 -0.11867E-01 4869 0.853E-01 0.693E-01 RMM: 3 -0.341709695590E+03 0.36692E-02 -0.13797E-02 5629 0.242E-01 0.152E-01 RMM: 4 -0.341709514925E+03 0.18066E-03 -0.69319E-04 4758 0.636E-02 0.978E-02 RMM: 5 -0.341709456296E+03 0.58629E-04 -0.94283E-05 3640 0.301E-02 0.601E-02 RMM: 6 -0.341709440107E+03 0.16188E-04 -0.24723E-05 2553 0.153E-02 7455 T= 6626. E= 0.67565191E+03 F= 0.61455955E+03 E0= 0.64275132E+03 EK= 0.53962E+02 SP= 0.71E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340768455766E+03 0.94100E+00 -0.12055E-01 8048 0.236E+01 0.192E-01 RMM: 2 -0.340785642761E+03 -0.17187E-01 -0.12016E-01 4797 0.855E-01 0.958E-01 RMM: 3 -0.340778950112E+03 0.66926E-02 -0.14564E-02 5511 0.261E-01 0.191E-01 RMM: 4 -0.340778679057E+03 0.27105E-03 -0.83268E-04 4781 0.651E-02 0.861E-02 RMM: 5 -0.340778636176E+03 0.42881E-04 -0.10232E-04 3890 0.292E-02 0.712E-02 RMM: 6 -0.340778614460E+03 0.21716E-04 -0.27114E-05 2563 0.159E-02 0.539E-02 RMM: 7 -0.340778620004E+03 -0.55438E-05 -0.31125E-05 2634 0.168E-02 7456 T= 6525. E= 0.67565679E+03 F= 0.61549037E+03 E0= 0.64367759E+03 EK= 0.53133E+02 SP= 0.70E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339882576352E+03 0.89604E+00 -0.11311E-01 8136 0.235E+01 0.226E-01 RMM: 2 -0.339898483435E+03 -0.15907E-01 -0.94668E-02 4815 0.774E-01 0.108E+00 RMM: 3 -0.339890410324E+03 0.80731E-02 -0.12108E-02 5454 0.248E-01 0.218E-01 RMM: 4 -0.339890129277E+03 0.28105E-03 -0.96813E-04 4851 0.720E-02 0.112E-01 RMM: 5 -0.339890108031E+03 0.21246E-04 -0.13883E-04 3853 0.320E-02 0.103E-01 RMM: 6 -0.339890037372E+03 0.70659E-04 -0.39990E-05 3049 0.199E-02 0.292E-02 RMM: 7 -0.339890040553E+03 -0.31808E-05 -0.14542E-05 2497 0.120E-02 7457 T= 6428. E= 0.67566106E+03 F= 0.61637895E+03 E0= 0.64456857E+03 EK= 0.52344E+02 SP= 0.69E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339079790837E+03 0.81025E+00 -0.11500E-01 8024 0.234E+01 0.203E-01 RMM: 2 -0.339096733511E+03 -0.16943E-01 -0.11812E-01 4789 0.842E-01 0.974E-01 RMM: 3 -0.339089806908E+03 0.69266E-02 -0.13943E-02 5598 0.252E-01 0.171E-01 RMM: 4 -0.339089559779E+03 0.24713E-03 -0.78470E-04 4806 0.629E-02 0.933E-02 RMM: 5 -0.339089509863E+03 0.49916E-04 -0.10716E-04 3765 0.302E-02 0.754E-02 RMM: 6 -0.339089477442E+03 0.32421E-04 -0.33070E-05 2753 0.176E-02 0.440E-02 RMM: 7 -0.339089476881E+03 0.56103E-06 -0.25561E-05 2543 0.152E-02 7458 T= 6342. E= 0.67566465E+03 F= 0.61717951E+03 E0= 0.64537714E+03 EK= 0.51643E+02 SP= 0.68E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338404060891E+03 0.68542E+00 -0.10742E-01 8000 0.233E+01 0.165E-01 RMM: 2 -0.338415623104E+03 -0.11562E-01 -0.94161E-02 4867 0.749E-01 0.697E-01 RMM: 3 -0.338412061756E+03 0.35613E-02 -0.10966E-02 5823 0.217E-01 0.149E-01 RMM: 4 -0.338411865694E+03 0.19606E-03 -0.52325E-04 4729 0.529E-02 0.872E-02 RMM: 5 -0.338411821412E+03 0.44283E-04 -0.69504E-05 3414 0.262E-02 0.613E-02 RMM: 6 -0.338411803549E+03 0.17862E-04 -0.24494E-05 2552 0.154E-02 7459 T= 6271. E= 0.67566702E+03 F= 0.61785719E+03 E0= 0.64606900E+03 EK= 0.51069E+02 SP= 0.67E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337869700520E+03 0.54212E+00 -0.10660E-01 8104 0.232E+01 0.186E-01 RMM: 2 -0.337883397486E+03 -0.13697E-01 -0.94435E-02 4977 0.732E-01 0.891E-01 RMM: 3 -0.337877543512E+03 0.58540E-02 -0.10330E-02 5611 0.218E-01 0.180E-01 RMM: 4 -0.337877285668E+03 0.25784E-03 -0.62201E-04 4763 0.552E-02 0.805E-02 RMM: 5 -0.337877242125E+03 0.43543E-04 -0.73014E-05 3507 0.250E-02 0.677E-02 RMM: 6 -0.337877222816E+03 0.19309E-04 -0.24778E-05 2541 0.155E-02 7460 T= 6219. E= 0.67566875E+03 F= 0.61839177E+03 E0= 0.64662267E+03 EK= 0.50644E+02 SP= 0.66E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337486134141E+03 0.39111E+00 -0.10407E-01 7904 0.232E+01 0.296E-01 RMM: 2 -0.337513411743E+03 -0.27278E-01 -0.95342E-02 4953 0.770E-01 0.169E+00 RMM: 3 -0.337493429298E+03 0.19982E-01 -0.13449E-02 5383 0.283E-01 0.290E-01 RMM: 4 -0.337492810214E+03 0.61908E-03 -0.13863E-03 4828 0.795E-02 0.774E-02 RMM: 5 -0.337492785964E+03 0.24250E-04 -0.14720E-04 4011 0.288E-02 0.829E-02 RMM: 6 -0.337492746627E+03 0.39337E-04 -0.26206E-05 2598 0.157E-02 0.495E-02 RMM: 7 -0.337492756642E+03 -0.10014E-04 -0.30838E-05 2722 0.168E-02 7461 T= 6186. E= 0.67566898E+03 F= 0.61877623E+03 E0= 0.64703072E+03 EK= 0.50378E+02 SP= 0.65E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337245335528E+03 0.24741E+00 -0.10444E-01 7952 0.233E+01 0.269E-01 RMM: 2 -0.337266597997E+03 -0.21262E-01 -0.93856E-02 4886 0.744E-01 0.140E+00 RMM: 3 -0.337252735242E+03 0.13863E-01 -0.12300E-02 5399 0.262E-01 0.288E-01 RMM: 4 -0.337252210198E+03 0.52504E-03 -0.14264E-03 4882 0.832E-02 0.111E-01 RMM: 5 -0.337252269611E+03 -0.59413E-04 -0.22009E-04 3880 0.373E-02 0.149E-01 RMM: 6 -0.337252117978E+03 0.15163E-03 -0.71451E-05 3493 0.253E-02 0.295E-02 RMM: 7 -0.337252120123E+03 -0.21456E-05 -0.18100E-05 2519 0.129E-02 7462 T= 6173. E= 0.67566872E+03 F= 0.61901687E+03 E0= 0.64729877E+03 EK= 0.50266E+02 SP= 0.63E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337130428915E+03 0.12169E+00 -0.10804E-01 8096 0.233E+01 0.217E-01 RMM: 2 -0.337148435945E+03 -0.18007E-01 -0.98838E-02 4931 0.749E-01 0.118E+00 RMM: 3 -0.337138570484E+03 0.98655E-02 -0.11411E-02 5524 0.234E-01 0.206E-01 RMM: 4 -0.337138245686E+03 0.32480E-03 -0.88490E-04 4810 0.624E-02 0.818E-02 RMM: 5 -0.337138196316E+03 0.49370E-04 -0.10853E-04 3829 0.279E-02 0.741E-02 RMM: 6 -0.337138162811E+03 0.33506E-04 -0.26567E-05 2617 0.155E-02 0.479E-02 RMM: 7 -0.337138157226E+03 0.55852E-05 -0.20976E-05 2541 0.138E-02 7463 T= 6176. E= 0.67566765E+03 F= 0.61913083E+03 E0= 0.64744319E+03 EK= 0.50292E+02 SP= 0.62E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337116587257E+03 0.21576E-01 -0.10803E-01 8216 0.234E+01 0.180E-01 RMM: 2 -0.337129940644E+03 -0.13353E-01 -0.90666E-02 4823 0.722E-01 0.900E-01 RMM: 3 -0.337124294607E+03 0.56460E-02 -0.10429E-02 5700 0.211E-01 0.178E-01 RMM: 4 -0.337123997938E+03 0.29667E-03 -0.65076E-04 4754 0.568E-02 0.684E-02 RMM: 5 -0.337123979677E+03 0.18261E-04 -0.85064E-05 3632 0.255E-02 7464 T= 6193. E= 0.67566632E+03 F= 0.61914501E+03 E0= 0.64748987E+03 EK= 0.50429E+02 SP= 0.60E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337165406087E+03 -0.41408E-01 -0.11207E-01 7912 0.235E+01 0.132E-01 RMM: 2 -0.337176949514E+03 -0.11543E-01 -0.10111E-01 4835 0.749E-01 0.592E-01 RMM: 3 -0.337174368353E+03 0.25812E-02 -0.11367E-02 6088 0.195E-01 0.127E-01 RMM: 4 -0.337174086205E+03 0.28215E-03 -0.41170E-04 4584 0.498E-02 0.868E-02 RMM: 5 -0.337174036696E+03 0.49508E-04 -0.51575E-05 3127 0.232E-02 0.703E-02 RMM: 6 -0.337174024809E+03 0.11887E-04 -0.26706E-05 2539 0.156E-02 7465 T= 6219. E= 0.67566473E+03 F= 0.61909496E+03 E0= 0.64747428E+03 EK= 0.50642E+02 SP= 0.59E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337240392179E+03 -0.66355E-01 -0.10505E-01 7752 0.235E+01 0.278E-01 RMM: 2 -0.337266240069E+03 -0.25848E-01 -0.82915E-02 4822 0.699E-01 0.167E+00 RMM: 3 -0.337246763309E+03 0.19477E-01 -0.12311E-02 5390 0.264E-01 0.245E-01 RMM: 4 -0.337246354463E+03 0.40885E-03 -0.12762E-03 4775 0.715E-02 0.839E-02 RMM: 5 -0.337246375884E+03 -0.21421E-04 -0.16371E-04 3863 0.338E-02 0.106E-01 RMM: 6 -0.337246302605E+03 0.73278E-04 -0.42565E-05 3092 0.198E-02 0.346E-02 RMM: 7 -0.337246300783E+03 0.18226E-05 -0.14383E-05 2499 0.123E-02 7466 T= 6249. E= 0.67566236E+03 F= 0.61902269E+03 E0= 0.64743801E+03 EK= 0.50888E+02 SP= 0.57E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337286187852E+03 -0.39885E-01 -0.10762E-01 7728 0.236E+01 0.316E-01 RMM: 2 -0.337317545641E+03 -0.31358E-01 -0.84273E-02 5098 0.714E-01 0.191E+00 RMM: 3 -0.337292225367E+03 0.25320E-01 -0.12801E-02 5392 0.274E-01 0.266E-01 RMM: 4 -0.337291728076E+03 0.49729E-03 -0.14640E-03 4703 0.802E-02 0.110E-01 RMM: 5 -0.337291701706E+03 0.26370E-04 -0.18669E-04 3885 0.352E-02 0.110E-01 RMM: 6 -0.337291616000E+03 0.85706E-04 -0.50015E-05 3178 0.215E-02 0.374E-02 RMM: 7 -0.337291613955E+03 0.20444E-05 -0.19532E-05 2525 0.135E-02 7467 T= 6277. E= 0.67565988E+03 F= 0.61897738E+03 E0= 0.64742849E+03 EK= 0.51116E+02 SP= 0.55E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337251890024E+03 0.39726E-01 -0.10965E-01 7816 0.237E+01 0.170E-01 RMM: 2 -0.337263354881E+03 -0.11465E-01 -0.73333E-02 4935 0.642E-01 0.879E-01 RMM: 3 -0.337257917663E+03 0.54372E-02 -0.81817E-03 5568 0.191E-01 0.157E-01 RMM: 4 -0.337257713725E+03 0.20394E-03 -0.55671E-04 4763 0.494E-02 0.664E-02 RMM: 5 -0.337257692666E+03 0.21059E-04 -0.69432E-05 3444 0.245E-02 0.601E-02 RMM: 6 -0.337257671104E+03 0.21562E-04 -0.23488E-05 2573 0.151E-02 0.334E-02 RMM: 7 -0.337257677373E+03 -0.62691E-05 -0.17702E-05 2516 0.126E-02 7468 T= 6296. E= 0.67565722E+03 F= 0.61901131E+03 E0= 0.64749870E+03 EK= 0.51274E+02 SP= 0.53E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337089761076E+03 0.16791E+00 -0.10762E-01 7928 0.237E+01 0.161E-01 RMM: 2 -0.337098594535E+03 -0.88335E-02 -0.70682E-02 4951 0.636E-01 0.661E-01 RMM: 3 -0.337095596346E+03 0.29982E-02 -0.79471E-03 5856 0.175E-01 0.142E-01 RMM: 4 -0.337095416677E+03 0.17967E-03 -0.47568E-04 4511 0.504E-02 0.105E-01 RMM: 5 -0.337095349391E+03 0.67286E-04 -0.82056E-05 3548 0.264E-02 0.580E-02 RMM: 6 -0.337095329088E+03 0.20303E-04 -0.22220E-05 2571 0.146E-02 0.290E-02 RMM: 7 -0.337095326569E+03 0.25197E-05 -0.15006E-05 2481 0.121E-02 7469 T= 6301. E= 0.67565508E+03 F= 0.61917366E+03 E0= 0.64769671E+03 EK= 0.51312E+02 SP= 0.51E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336757906890E+03 0.33742E+00 -0.10772E-01 7776 0.237E+01 0.123E-01 RMM: 2 -0.336767155204E+03 -0.92483E-02 -0.82905E-02 4974 0.660E-01 0.527E-01 RMM: 3 -0.336764947938E+03 0.22073E-02 -0.84941E-03 6083 0.166E-01 0.108E-01 RMM: 4 -0.336764771543E+03 0.17640E-03 -0.37238E-04 4382 0.474E-02 0.839E-02 RMM: 5 -0.336764721241E+03 0.50302E-04 -0.50302E-05 3151 0.227E-02 0.490E-02 RMM: 6 -0.336764713834E+03 0.74072E-05 -0.19583E-05 2515 0.132E-02 7470 T= 6286. E= 0.67565405E+03 F= 0.61950428E+03 E0= 0.64806116E+03 EK= 0.51190E+02 SP= 0.49E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336234421733E+03 0.53030E+00 -0.10775E-01 7920 0.236E+01 0.185E-01 RMM: 2 -0.336249316634E+03 -0.14895E-01 -0.86729E-02 4809 0.691E-01 0.103E+00 RMM: 3 -0.336241667662E+03 0.76490E-02 -0.10123E-02 5598 0.211E-01 0.177E-01 RMM: 4 -0.336241397262E+03 0.27040E-03 -0.71260E-04 4767 0.562E-02 0.708E-02 RMM: 5 -0.336241368285E+03 0.28977E-04 -0.78283E-05 3678 0.240E-02 0.592E-02 RMM: 6 -0.336241353576E+03 0.14708E-04 -0.19614E-05 2529 0.132E-02 7471 T= 6249. E= 0.67565467E+03 F= 0.62002764E+03 E0= 0.64861582E+03 EK= 0.50884E+02 SP= 0.46E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335515991883E+03 0.72538E+00 -0.10115E-01 7608 0.235E+01 0.256E-01 RMM: 2 -0.335537482008E+03 -0.21490E-01 -0.83519E-02 5012 0.677E-01 0.146E+00 RMM: 3 -0.335522482392E+03 0.15000E-01 -0.10975E-02 5429 0.242E-01 0.256E-01 RMM: 4 -0.335522014495E+03 0.46790E-03 -0.11489E-03 4721 0.698E-02 0.792E-02 RMM: 5 -0.335521976567E+03 0.37928E-04 -0.11804E-04 4082 0.259E-02 0.738E-02 RMM: 6 -0.335521951675E+03 0.24893E-04 -0.21372E-05 2573 0.141E-02 0.540E-02 RMM: 7 -0.335521962884E+03 -0.11209E-04 -0.36606E-05 2756 0.180E-02 7472 T= 6188. E= 0.67565671E+03 F= 0.62074703E+03 E0= 0.64936211E+03 EK= 0.50391E+02 SP= 0.44E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334621525763E+03 0.90043E+00 -0.10521E-01 7680 0.233E+01 0.231E-01 RMM: 2 -0.334637038762E+03 -0.15513E-01 -0.89620E-02 4841 0.702E-01 0.109E+00 RMM: 3 -0.334628713955E+03 0.83248E-02 -0.11083E-02 5525 0.229E-01 0.227E-01 RMM: 4 -0.334628383022E+03 0.33093E-03 -0.10741E-03 4712 0.713E-02 0.118E-01 RMM: 5 -0.334628341558E+03 0.41464E-04 -0.16057E-04 3872 0.320E-02 0.966E-02 RMM: 6 -0.334628280481E+03 0.61077E-04 -0.38990E-05 3038 0.190E-02 0.285E-02 RMM: 7 -0.334628284996E+03 -0.45153E-05 -0.14598E-05 2501 0.121E-02 7473 T= 6107. E= 0.67566041E+03 F= 0.62164070E+03 E0= 0.65027790E+03 EK= 0.49734E+02 SP= 0.42E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333593915838E+03 0.10344E+01 -0.10539E-01 7848 0.231E+01 0.196E-01 RMM: 2 -0.333608530964E+03 -0.14615E-01 -0.92706E-02 5039 0.696E-01 0.995E-01 RMM: 3 -0.333601568041E+03 0.69629E-02 -0.10197E-02 5712 0.206E-01 0.182E-01 RMM: 4 -0.333601262209E+03 0.30583E-03 -0.69132E-04 4832 0.547E-02 0.828E-02 RMM: 5 -0.333601214138E+03 0.48071E-04 -0.76900E-05 3607 0.235E-02 0.667E-02 RMM: 6 -0.333601195584E+03 0.18554E-04 -0.21265E-05 2544 0.140E-02 7474 T= 6012. E= 0.67566572E+03 F= 0.62266779E+03 E0= 0.65132040E+03 EK= 0.48956E+02 SP= 0.39E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332487233371E+03 0.11140E+01 -0.10333E-01 7560 0.228E+01 0.229E-01 RMM: 2 -0.332506713147E+03 -0.19480E-01 -0.89119E-02 5008 0.691E-01 0.133E+00 RMM: 3 -0.332494401452E+03 0.12312E-01 -0.10847E-02 5484 0.229E-01 0.213E-01 RMM: 4 -0.332494066161E+03 0.33529E-03 -0.98764E-04 4921 0.608E-02 0.829E-02 RMM: 5 -0.332494028611E+03 0.37550E-04 -0.93889E-05 3786 0.259E-02 0.762E-02 RMM: 6 -0.332494003187E+03 0.25424E-04 -0.24948E-05 2575 0.146E-02 0.623E-02 RMM: 7 -0.332494040497E+03 -0.37310E-04 -0.76817E-05 3674 0.237E-02 0.103E-01 RMM: 8 -0.332493974546E+03 0.65951E-04 -0.85650E-05 3823 0.205E-02 0.378E-02 RMM: 9 -0.332493968055E+03 0.64906E-05 -0.13723E-05 2504 0.107E-02 7475 T= 5908. E= 0.67567053E+03 F= 0.62377502E+03 E0= 0.65243643E+03 EK= 0.48111E+02 SP= 0.36E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331352196255E+03 0.11418E+01 -0.10500E-01 7808 0.226E+01 0.254E-01 RMM: 2 -0.331371075547E+03 -0.18879E-01 -0.92158E-02 4951 0.701E-01 0.129E+00 RMM: 3 -0.331359274562E+03 0.11801E-01 -0.11112E-02 5501 0.228E-01 0.173E-01 RMM: 4 -0.331359307207E+03 -0.32646E-04 -0.12465E-03 4724 0.787E-02 0.216E-01 RMM: 5 -0.331359089961E+03 0.21725E-03 -0.24346E-04 3882 0.398E-02 0.128E-01 RMM: 6 -0.331358977574E+03 0.11239E-03 -0.72367E-05 3494 0.250E-02 0.267E-02 RMM: 7 -0.331358988255E+03 -0.10681E-04 -0.20887E-05 2554 0.138E-02 7476 T= 5802. E= 0.67567443E+03 F= 0.62491000E+03 E0= 0.65357398E+03 EK= 0.47252E+02 SP= 0.33E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330228949469E+03 0.11300E+01 -0.10408E-01 8024 0.223E+01 0.167E-01 RMM: 2 -0.330241430940E+03 -0.12481E-01 -0.78837E-02 5062 0.645E-01 0.909E-01 RMM: 3 -0.330235394175E+03 0.60368E-02 -0.83022E-03 5707 0.186E-01 0.158E-01 RMM: 4 -0.330235162925E+03 0.23125E-03 -0.55137E-04 4730 0.494E-02 0.636E-02 RMM: 5 -0.330235142701E+03 0.20224E-04 -0.59987E-05 3396 0.214E-02 0.601E-02 RMM: 6 -0.330235126106E+03 0.16595E-04 -0.19245E-05 2527 0.133E-02 7477 T= 5701. E= 0.67567741E+03 F= 0.62603386E+03 E0= 0.65469573E+03 EK= 0.46423E+02 SP= 0.30E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329139686689E+03 0.10955E+01 -0.10302E-01 8016 0.222E+01 0.220E-01 RMM: 2 -0.329156604374E+03 -0.16918E-01 -0.89168E-02 4984 0.668E-01 0.116E+00 RMM: 3 -0.329146841779E+03 0.97626E-02 -0.10411E-02 5455 0.223E-01 0.194E-01 RMM: 4 -0.329146564522E+03 0.27726E-03 -0.96191E-04 5135 0.579E-02 0.734E-02 RMM: 5 -0.329146530808E+03 0.33714E-04 -0.79291E-05 3578 0.247E-02 0.625E-02 RMM: 6 -0.329146513965E+03 0.16843E-04 -0.20867E-05 2546 0.138E-02 7478 T= 5606. E= 0.67567918E+03 F= 0.62712248E+03 E0= 0.65577771E+03 EK= 0.45649E+02 SP= 0.26E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328098246666E+03 0.10483E+01 -0.99242E-02 8064 0.220E+01 0.295E-01 RMM: 2 -0.328125793070E+03 -0.27546E-01 -0.96438E-02 4973 0.723E-01 0.170E+00 RMM: 3 -0.328105800149E+03 0.19993E-01 -0.13444E-02 5424 0.270E-01 0.314E-01 RMM: 4 -0.328105060479E+03 0.73967E-03 -0.15390E-03 4741 0.811E-02 0.802E-02 RMM: 5 -0.328105050908E+03 0.95706E-05 -0.17944E-04 4356 0.290E-02 7479 T= 5519. E= 0.67568113E+03 F= 0.62816394E+03 E0= 0.65680993E+03 EK= 0.44947E+02 SP= 0.22E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327112360933E+03 0.99270E+00 -0.99206E-02 8304 0.219E+01 0.178E-01 RMM: 2 -0.327128256628E+03 -0.15896E-01 -0.94541E-02 5206 0.663E-01 0.102E+00 RMM: 3 -0.327120450622E+03 0.78060E-02 -0.95571E-03 5503 0.205E-01 0.210E-01 RMM: 4 -0.327120134414E+03 0.31621E-03 -0.83243E-04 4852 0.581E-02 0.947E-02 RMM: 5 -0.327120099279E+03 0.35135E-04 -0.76790E-05 3620 0.218E-02 0.794E-02 RMM: 6 -0.327120090627E+03 0.86522E-05 -0.18633E-05 2531 0.130E-02 7480 T= 5443. E= 0.67568338E+03 F= 0.62914890E+03 E0= 0.65778379E+03 EK= 0.44328E+02 SP= 0.18E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326201175950E+03 0.91892E+00 -0.99021E-02 8248 0.219E+01 0.364E-01 RMM: 2 -0.326233981412E+03 -0.32805E-01 -0.10815E-01 4844 0.758E-01 0.190E+00 RMM: 3 -0.326209223021E+03 0.24758E-01 -0.17952E-02 5383 0.316E-01 0.337E-01 RMM: 4 -0.326208423779E+03 0.79924E-03 -0.20947E-03 4990 0.881E-02 0.103E-01 RMM: 5 -0.326208425519E+03 -0.17400E-05 -0.24299E-04 3913 0.373E-02 0.116E-01 RMM: 6 -0.326208345307E+03 0.80213E-04 -0.57625E-05 3304 0.223E-02 0.420E-02 RMM: 7 -0.326208346879E+03 -0.15727E-05 -0.17729E-05 2528 0.131E-02 7481 T= 5380. E= 0.67568591E+03 F= 0.63006064E+03 E0= 0.65868308E+03 EK= 0.43812E+02 SP= 0.13E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325386786510E+03 0.82156E+00 -0.10392E-01 8320 0.218E+01 0.371E-01 RMM: 2 -0.325426037386E+03 -0.39251E-01 -0.12242E-01 4932 0.801E-01 0.209E+00 RMM: 3 -0.325396316225E+03 0.29721E-01 -0.19376E-02 5402 0.327E-01 0.375E-01 RMM: 4 -0.325395299293E+03 0.10169E-02 -0.22735E-03 5020 0.956E-02 0.122E-01 RMM: 5 -0.325395253444E+03 0.45849E-04 -0.28785E-04 3935 0.387E-02 0.103E-01 RMM: 6 -0.325395179263E+03 0.74181E-04 -0.55076E-05 3256 0.215E-02 0.428E-02 RMM: 7 -0.325395179296E+03 -0.33300E-07 -0.16221E-05 2519 0.120E-02 7482 T= 5333. E= 0.67568813E+03 F= 0.63087381E+03 E0= 0.65948190E+03 EK= 0.43425E+02 SP= 0.81E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324699853837E+03 0.69533E+00 -0.10153E-01 8664 0.218E+01 0.255E-01 RMM: 2 -0.324722753395E+03 -0.22900E-01 -0.98467E-02 4922 0.703E-01 0.147E+00 RMM: 3 -0.324707903234E+03 0.14850E-01 -0.12594E-02 5448 0.250E-01 0.257E-01 RMM: 4 -0.324707401089E+03 0.50214E-03 -0.13030E-03 4989 0.691E-02 0.809E-02 RMM: 5 -0.324707365685E+03 0.35404E-04 -0.13221E-04 3804 0.294E-02 0.688E-02 RMM: 6 -0.324707338556E+03 0.27129E-04 -0.24997E-05 2637 0.150E-02 0.410E-02 RMM: 7 -0.324707344398E+03 -0.58416E-05 -0.18105E-05 2527 0.134E-02 7483 T= 5305. E= 0.67568960E+03 F= 0.63156164E+03 E0= 0.66015437E+03 EK= 0.43197E+02 SP= 0.25E+00 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324158386261E+03 0.54895E+00 -0.10146E-01 8552 0.218E+01 0.208E-01 RMM: 2 -0.324174856829E+03 -0.16471E-01 -0.98958E-02 4965 0.707E-01 0.108E+00 RMM: 3 -0.324166602397E+03 0.82544E-02 -0.11226E-02 5642 0.218E-01 0.189E-01 RMM: 4 -0.324166279486E+03 0.32291E-03 -0.86114E-04 4901 0.592E-02 0.821E-02 RMM: 5 -0.324166249836E+03 0.29650E-04 -0.10718E-04 3768 0.268E-02 0.702E-02 RMM: 6 -0.324166219985E+03 0.29851E-04 -0.24084E-05 2623 0.147E-02 0.354E-02 RMM: 7 -0.324166220574E+03 -0.58861E-06 -0.13570E-05 2492 0.116E-02 7484 T= 5299. E= 0.67569006E+03 F= 0.63210277E+03 E0= 0.66067918E+03 EK= 0.43150E+02 SP= -.36E+00 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323774149999E+03 0.39207E+00 -0.10771E-01 8480 0.219E+01 0.152E-01 RMM: 2 -0.323787755868E+03 -0.13606E-01 -0.10670E-01 4963 0.724E-01 0.763E-01 RMM: 3 -0.323783310654E+03 0.44452E-02 -0.10847E-02 5860 0.198E-01 0.163E-01 RMM: 4 -0.323782994504E+03 0.31615E-03 -0.59550E-04 4734 0.531E-02 0.717E-02 RMM: 5 -0.323782969350E+03 0.25154E-04 -0.75364E-05 3524 0.238E-02 0.593E-02 RMM: 6 -0.323782952920E+03 0.16430E-04 -0.21077E-05 2542 0.140E-02 7485 T= 5317. E= 0.67569016E+03 F= 0.63248604E+03 E0= 0.66104638E+03 EK= 0.43299E+02 SP= -.10E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323553905987E+03 0.22906E+00 -0.10577E-01 8784 0.220E+01 0.195E-01 RMM: 2 -0.323568975083E+03 -0.15069E-01 -0.89756E-02 5140 0.660E-01 0.103E+00 RMM: 3 -0.323561164262E+03 0.78108E-02 -0.88742E-03 5541 0.203E-01 0.196E-01 RMM: 4 -0.323560865292E+03 0.29897E-03 -0.76817E-04 4876 0.558E-02 0.718E-02 RMM: 5 -0.323560835022E+03 0.30270E-04 -0.78008E-05 3680 0.219E-02 0.646E-02 RMM: 6 -0.323560820634E+03 0.14389E-04 -0.18438E-05 2527 0.130E-02 7486 T= 5360. E= 0.67568973E+03 F= 0.63270817E+03 E0= 0.66125373E+03 EK= 0.43649E+02 SP= -.17E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323492701474E+03 0.68134E-01 -0.10633E-01 8608 0.221E+01 0.291E-01 RMM: 2 -0.323519090832E+03 -0.26389E-01 -0.97659E-02 4997 0.720E-01 0.163E+00 RMM: 3 -0.323500459927E+03 0.18631E-01 -0.13146E-02 5386 0.267E-01 0.316E-01 RMM: 4 -0.323499719327E+03 0.74060E-03 -0.15125E-03 4744 0.802E-02 0.793E-02 RMM: 5 -0.323499700098E+03 0.19229E-04 -0.17948E-04 4251 0.296E-02 7487 T= 5428. E= 0.67569003E+03 F= 0.63276929E+03 E0= 0.66130267E+03 EK= 0.44203E+02 SP= -.24E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323598608430E+03 -0.98889E-01 -0.10870E-01 8584 0.223E+01 0.250E-01 RMM: 2 -0.323624990070E+03 -0.26382E-01 -0.10167E-01 5118 0.711E-01 0.158E+00 RMM: 3 -0.323606832319E+03 0.18158E-01 -0.11853E-02 5412 0.248E-01 0.231E-01 RMM: 4 -0.323606444985E+03 0.38733E-03 -0.12999E-03 4952 0.694E-02 0.972E-02 RMM: 5 -0.323606391924E+03 0.53062E-04 -0.11270E-04 4051 0.259E-02 0.797E-02 RMM: 6 -0.323606373161E+03 0.18763E-04 -0.24367E-05 2553 0.147E-02 7488 T= 5522. E= 0.67569063E+03 F= 0.63266262E+03 E0= 0.66118692E+03 EK= 0.44969E+02 SP= -.32E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323888116733E+03 -0.28172E+00 -0.10587E-01 8080 0.225E+01 0.284E-01 RMM: 2 -0.323911480590E+03 -0.23364E-01 -0.10725E-01 4870 0.757E-01 0.146E+00 RMM: 3 -0.323896944125E+03 0.14536E-01 -0.14397E-02 5407 0.273E-01 0.298E-01 RMM: 4 -0.323896331300E+03 0.61282E-03 -0.15089E-03 4825 0.771E-02 0.959E-02 RMM: 5 -0.323896305332E+03 0.25968E-04 -0.17394E-04 3919 0.322E-02 0.899E-02 RMM: 6 -0.323896262344E+03 0.42988E-04 -0.32290E-05 2866 0.172E-02 0.494E-02 RMM: 7 -0.323896265612E+03 -0.32681E-05 -0.17417E-05 2510 0.133E-02 7489 T= 5644. E= 0.67569115E+03 F= 0.63237272E+03 E0= 0.66089165E+03 EK= 0.45963E+02 SP= -.40E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324380374011E+03 -0.48411E+00 -0.10580E-01 8048 0.227E+01 0.367E-01 RMM: 2 -0.324413823645E+03 -0.33450E-01 -0.11545E-01 4888 0.807E-01 0.191E+00 RMM: 3 -0.324389269712E+03 0.24554E-01 -0.17915E-02 5382 0.316E-01 0.358E-01 RMM: 4 -0.324388383716E+03 0.88600E-03 -0.20708E-03 4974 0.919E-02 0.124E-01 RMM: 5 -0.324388402105E+03 -0.18389E-04 -0.31664E-04 3917 0.431E-02 0.137E-01 RMM: 6 -0.324388275573E+03 0.12653E-03 -0.88031E-05 3593 0.270E-02 0.433E-02 RMM: 7 -0.324388268986E+03 0.65869E-05 -0.18014E-05 2540 0.127E-02 7490 T= 5797. E= 0.67569125E+03 F= 0.63188072E+03 E0= 0.66039721E+03 EK= 0.47204E+02 SP= -.49E+01 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325078327135E+03 -0.69005E+00 -0.11279E-01 7632 0.230E+01 0.282E-01 RMM: 2 -0.325105917923E+03 -0.27591E-01 -0.13340E-01 4798 0.869E-01 0.156E+00 RMM: 3 -0.325089382716E+03 0.16535E-01 -0.17162E-02 5459 0.289E-01 0.240E-01 RMM: 4 -0.325088961315E+03 0.42140E-03 -0.17060E-03 5403 0.737E-02 0.945E-02 RMM: 5 -0.325088886559E+03 0.74755E-04 -0.14873E-04 3892 0.326E-02 0.728E-02 RMM: 6 -0.325088852140E+03 0.34419E-04 -0.30552E-05 2707 0.164E-02 0.460E-02 RMM: 7 -0.325088853508E+03 -0.13671E-05 -0.22117E-05 2549 0.143E-02 7491 T= 5980. E= 0.67568966E+03 F= 0.63118014E+03 E0= 0.65969668E+03 EK= 0.48699E+02 SP= -.58E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325968286753E+03 -0.87943E+00 -0.10864E-01 7888 0.233E+01 0.213E-01 RMM: 2 -0.325984525442E+03 -0.16239E-01 -0.98669E-02 4860 0.751E-01 0.108E+00 RMM: 3 -0.325976443620E+03 0.80818E-02 -0.11477E-02 5565 0.230E-01 0.191E-01 RMM: 4 -0.325976154788E+03 0.28883E-03 -0.90222E-04 5028 0.598E-02 0.823E-02 RMM: 5 -0.325976127222E+03 0.27566E-04 -0.11894E-04 3794 0.305E-02 0.738E-02 RMM: 6 -0.325976091334E+03 0.35888E-04 -0.29501E-05 2748 0.162E-02 0.372E-02 RMM: 7 -0.325976094211E+03 -0.28761E-05 -0.21495E-05 2516 0.146E-02 7492 T= 6192. E= 0.67568497E+03 F= 0.63029290E+03 E0= 0.65881111E+03 EK= 0.50423E+02 SP= -.67E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326980405871E+03 -0.10043E+01 -0.11130E-01 7744 0.237E+01 0.182E-01 RMM: 2 -0.326995287217E+03 -0.14881E-01 -0.11451E-01 4814 0.808E-01 0.846E-01 RMM: 3 -0.326990408955E+03 0.48783E-02 -0.13402E-02 5922 0.218E-01 0.159E-01 RMM: 4 -0.326990108110E+03 0.30085E-03 -0.70799E-04 4717 0.615E-02 0.119E-01 RMM: 5 -0.326990016678E+03 0.91432E-04 -0.12032E-04 3771 0.303E-02 0.666E-02 RMM: 6 -0.326989991582E+03 0.25096E-04 -0.29260E-05 2677 0.161E-02 0.387E-02 RMM: 7 -0.326989985659E+03 0.59231E-05 -0.20744E-05 2504 0.140E-02 7493 T= 6424. E= 0.67567798E+03 F= 0.62927900E+03 E0= 0.65779806E+03 EK= 0.52314E+02 SP= -.76E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328028920517E+03 -0.10389E+01 -0.11479E-01 7912 0.241E+01 0.180E-01 RMM: 2 -0.328043604506E+03 -0.14684E-01 -0.11671E-01 4898 0.812E-01 0.810E-01 RMM: 3 -0.328039118078E+03 0.44864E-02 -0.13494E-02 5982 0.216E-01 0.169E-01 RMM: 4 -0.328038756213E+03 0.36186E-03 -0.67015E-04 4763 0.593E-02 0.100E-01 RMM: 5 -0.328038690078E+03 0.66135E-04 -0.10803E-04 3732 0.288E-02 0.681E-02 RMM: 6 -0.328038669620E+03 0.20458E-04 -0.26381E-05 2565 0.152E-02 0.505E-02 RMM: 7 -0.328038664791E+03 0.48298E-05 -0.29569E-05 2614 0.161E-02 7494 T= 6665. E= 0.67567027E+03 F= 0.62823032E+03 E0= 0.65674849E+03 EK= 0.54274E+02 SP= -.85E+01 SK= 0.17E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329007524369E+03 -0.96885E+00 -0.12508E-01 7912 0.246E+01 0.187E-01 RMM: 2 -0.329023238609E+03 -0.15714E-01 -0.12771E-01 4880 0.849E-01 0.811E-01 RMM: 3 -0.329018765023E+03 0.44736E-02 -0.15086E-02 6009 0.225E-01 0.171E-01 RMM: 4 -0.329018384554E+03 0.38047E-03 -0.75709E-04 4760 0.650E-02 0.121E-01 RMM: 5 -0.329018285585E+03 0.98969E-04 -0.12609E-04 3825 0.311E-02 0.657E-02 RMM: 6 -0.329018267783E+03 0.17801E-04 -0.26341E-05 2565 0.150E-02 7495 T= 6900. E= 0.67566280E+03 F= 0.62725072E+03 E0= 0.65576531E+03 EK= 0.56192E+02 SP= -.94E+01 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329818091223E+03 -0.79981E+00 -0.13054E-01 7896 0.250E+01 0.193E-01 RMM: 2 -0.329836776998E+03 -0.18686E-01 -0.13902E-01 4860 0.877E-01 0.969E-01 RMM: 3 -0.329830302369E+03 0.64746E-02 -0.16144E-02 5830 0.245E-01 0.174E-01 RMM: 4 -0.329829929002E+03 0.37337E-03 -0.87381E-04 5042 0.627E-02 0.107E-01 RMM: 5 -0.329829846209E+03 0.82793E-04 -0.11389E-04 3870 0.297E-02 0.720E-02 RMM: 6 -0.329829832277E+03 0.13932E-04 -0.28039E-05 2560 0.153E-02 7496 T= 7117. E= 0.67565696E+03 F= 0.62643916E+03 E0= 0.65494662E+03 EK= 0.57959E+02 SP= -.10E+02 SK= 0.16E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330388978833E+03 -0.55913E+00 -0.12640E-01 7944 0.254E+01 0.315E-01 RMM: 2 -0.330420275248E+03 -0.31296E-01 -0.11712E-01 4997 0.824E-01 0.177E+00 RMM: 3 -0.330398227310E+03 0.22048E-01 -0.15653E-02 5393 0.293E-01 0.306E-01 RMM: 4 -0.330397551785E+03 0.67553E-03 -0.17378E-03 4852 0.855E-02 0.990E-02 RMM: 5 -0.330397507177E+03 0.44608E-04 -0.19732E-04 4039 0.333E-02 0.908E-02 RMM: 6 -0.330397459085E+03 0.48092E-04 -0.33514E-05 2696 0.174E-02 0.582E-02 RMM: 7 -0.330397464722E+03 -0.56372E-05 -0.39871E-05 3005 0.186E-02 7497 T= 7305. E= 0.67565309E+03 F= 0.62587152E+03 E0= 0.65437005E+03 EK= 0.59485E+02 SP= -.11E+02 SK= 0.15E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330670411408E+03 -0.27295E+00 -0.12516E-01 7744 0.257E+01 0.287E-01 RMM: 2 -0.330696250191E+03 -0.25839E-01 -0.11952E-01 4892 0.816E-01 0.152E+00 RMM: 3 -0.330680019632E+03 0.16231E-01 -0.14901E-02 5404 0.281E-01 0.316E-01 RMM: 4 -0.330679365756E+03 0.65388E-03 -0.17848E-03 5019 0.913E-02 0.121E-01 RMM: 5 -0.330679348397E+03 0.17359E-04 -0.24313E-04 3890 0.373E-02 0.127E-01 RMM: 6 -0.330679238200E+03 0.11020E-03 -0.64718E-05 3422 0.235E-02 0.388E-02 RMM: 7 -0.330679240862E+03 -0.26622E-05 -0.24560E-05 2571 0.147E-02 7498 T= 7456. E= 0.67565241E+03 F= 0.62558975E+03 E0= 0.65407824E+03 EK= 0.60717E+02 SP= -.12E+02 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330659936057E+03 0.19302E-01 -0.13090E-01 7960 0.258E+01 0.200E-01 RMM: 2 -0.330679581619E+03 -0.19646E-01 -0.13103E-01 4846 0.843E-01 0.107E+00 RMM: 3 -0.330671197323E+03 0.83843E-02 -0.14913E-02 5696 0.248E-01 0.186E-01 RMM: 4 -0.330670865584E+03 0.33174E-03 -0.92002E-04 4844 0.656E-02 0.104E-01 RMM: 5 -0.330670785940E+03 0.79644E-04 -0.12188E-04 3906 0.292E-02 0.715E-02 RMM: 6 -0.330670759256E+03 0.26683E-04 -0.30084E-05 2663 0.163E-02 0.530E-02 RMM: 7 -0.330670759209E+03 0.47379E-07 -0.38794E-05 2722 0.173E-02 7499 T= 7569. E= 0.67565377E+03 F= 0.62559823E+03 E0= 0.65407640E+03 EK= 0.61635E+02 SP= -.13E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330390359483E+03 0.28040E+00 -0.14211E-01 7832 0.260E+01 0.182E-01 RMM: 2 -0.330407236048E+03 -0.16877E-01 -0.13376E-01 4824 0.866E-01 0.844E-01 RMM: 3 -0.330401974973E+03 0.52611E-02 -0.15394E-02 5921 0.239E-01 0.152E-01 RMM: 4 -0.330401668923E+03 0.30605E-03 -0.74953E-04 4777 0.631E-02 0.111E-01 RMM: 5 -0.330401594277E+03 0.74645E-04 -0.10887E-04 3727 0.300E-02 0.679E-02 RMM: 6 -0.330401570180E+03 0.24097E-04 -0.27876E-05 2573 0.160E-02 0.427E-02 RMM: 7 -0.330401570895E+03 -0.71443E-06 -0.24429E-05 2589 0.146E-02 7500 T= 7645. E= 0.67565754E+03 F= 0.62586742E+03 E0= 0.65433744E+03 EK= 0.62258E+02 SP= -.14E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329914391299E+03 0.48718E+00 -0.14977E-01 7848 0.261E+01 0.162E-01 RMM: 2 -0.329931313159E+03 -0.16922E-01 -0.14846E-01 4827 0.892E-01 0.688E-01 RMM: 3 -0.329927362599E+03 0.39506E-02 -0.16113E-02 6057 0.237E-01 0.136E-01 RMM: 4 -0.329927085038E+03 0.27756E-03 -0.69006E-04 4697 0.635E-02 0.124E-01 RMM: 5 -0.329926975488E+03 0.10955E-03 -0.10290E-04 3664 0.305E-02 0.618E-02 RMM: 6 -0.329926960801E+03 0.14687E-04 -0.29738E-05 2618 0.162E-02 7501 T= 7691. E= 0.67566244E+03 F= 0.62634203E+03 E0= 0.65480597E+03 EK= 0.62633E+02 SP= -.14E+02 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329296851756E+03 0.63012E+00 -0.14732E-01 7768 0.261E+01 0.236E-01 RMM: 2 -0.329321186789E+03 -0.24335E-01 -0.13838E-01 4817 0.868E-01 0.131E+00 RMM: 3 -0.329308657417E+03 0.12529E-01 -0.16116E-02 5486 0.271E-01 0.232E-01 RMM: 4 -0.329308251623E+03 0.40579E-03 -0.12442E-03 4916 0.729E-02 0.958E-02 RMM: 5 -0.329308204715E+03 0.46908E-04 -0.15205E-04 4164 0.313E-02 0.820E-02 RMM: 6 -0.329308173260E+03 0.31455E-04 -0.33317E-05 2769 0.170E-02 0.635E-02 RMM: 7 -0.329308198016E+03 -0.24756E-04 -0.50829E-05 3222 0.201E-02 0.949E-02 RMM: 8 -0.329308136814E+03 0.61202E-04 -0.98507E-05 3889 0.213E-02 0.396E-02 RMM: 9 -0.329308128836E+03 0.79781E-05 -0.16629E-05 2537 0.115E-02 7502 T= 7713. E= 0.67566653E+03 F= 0.62696086E+03 E0= 0.65542167E+03 EK= 0.62812E+02 SP= -.15E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328585508255E+03 0.72263E+00 -0.14269E-01 7576 0.261E+01 0.265E-01 RMM: 2 -0.328606886440E+03 -0.21378E-01 -0.11502E-01 4823 0.801E-01 0.131E+00 RMM: 3 -0.328594562196E+03 0.12324E-01 -0.13589E-02 5453 0.258E-01 0.209E-01 RMM: 4 -0.328594383717E+03 0.17848E-03 -0.13973E-03 4854 0.835E-02 0.170E-01 RMM: 5 -0.328594267156E+03 0.11656E-03 -0.22177E-04 3894 0.377E-02 0.125E-01 RMM: 6 -0.328594160077E+03 0.10708E-03 -0.62285E-05 3360 0.233E-02 0.295E-02 RMM: 7 -0.328594168586E+03 -0.85085E-05 -0.22882E-05 2553 0.146E-02 7503 T= 7717. E= 0.67566860E+03 F= 0.62767482E+03 E0= 0.65613412E+03 EK= 0.62841E+02 SP= -.16E+02 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327795704203E+03 0.79846E+00 -0.15033E-01 7600 0.261E+01 0.202E-01 RMM: 2 -0.327814301490E+03 -0.18597E-01 -0.13576E-01 4871 0.860E-01 0.972E-01 RMM: 3 -0.327807409051E+03 0.68924E-02 -0.15584E-02 5764 0.243E-01 0.208E-01 RMM: 4 -0.327806960409E+03 0.44864E-03 -0.86665E-04 4830 0.655E-02 0.849E-02 RMM: 5 -0.327806920019E+03 0.40390E-04 -0.11391E-04 4010 0.281E-02 0.726E-02 RMM: 6 -0.327806897048E+03 0.22971E-04 -0.26077E-05 2571 0.152E-02 0.542E-02 RMM: 7 -0.327806906779E+03 -0.97308E-05 -0.50861E-05 3191 0.206E-02 7504 T= 7704. E= 0.67566916E+03 F= 0.62846208E+03 E0= 0.65692085E+03 EK= 0.62739E+02 SP= -.16E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326933483233E+03 0.87341E+00 -0.15187E-01 7808 0.261E+01 0.179E-01 RMM: 2 -0.326948489049E+03 -0.15006E-01 -0.12769E-01 4872 0.828E-01 0.731E-01 RMM: 3 -0.326944429044E+03 0.40600E-02 -0.14601E-02 6001 0.225E-01 0.160E-01 RMM: 4 -0.326944114664E+03 0.31438E-03 -0.71686E-04 4688 0.638E-02 0.126E-01 RMM: 5 -0.326944000982E+03 0.11368E-03 -0.11400E-04 3703 0.295E-02 0.586E-02 RMM: 6 -0.326943988149E+03 0.12832E-04 -0.24898E-05 2573 0.147E-02 7505 T= 7675. E= 0.67566925E+03 F= 0.62932500E+03 E0= 0.65778452E+03 EK= 0.62505E+02 SP= -.17E+02 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325981468669E+03 0.96253E+00 -0.15893E-01 7816 0.260E+01 0.252E-01 RMM: 2 -0.326007437544E+03 -0.25969E-01 -0.15965E-01 4888 0.912E-01 0.131E+00 RMM: 3 -0.325995017130E+03 0.12420E-01 -0.18991E-02 5645 0.278E-01 0.245E-01 RMM: 4 -0.325994434961E+03 0.58217E-03 -0.13045E-03 5018 0.737E-02 0.980E-02 RMM: 5 -0.325994371847E+03 0.63114E-04 -0.14795E-04 4260 0.302E-02 0.807E-02 RMM: 6 -0.325994353591E+03 0.18256E-04 -0.28353E-05 2587 0.155E-02 7506 T= 7629. E= 0.67567091E+03 F= 0.63027464E+03 E0= 0.65873436E+03 EK= 0.62129E+02 SP= -.17E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324951930842E+03 0.10424E+01 -0.15768E-01 8256 0.260E+01 0.355E-01 RMM: 2 -0.324990340055E+03 -0.38409E-01 -0.14606E-01 4925 0.885E-01 0.196E+00 RMM: 3 -0.324963595668E+03 0.26744E-01 -0.20646E-02 5433 0.332E-01 0.372E-01 RMM: 4 -0.324962586882E+03 0.10088E-02 -0.22129E-03 5172 0.943E-02 0.104E-01 RMM: 5 -0.324962530372E+03 0.56510E-04 -0.24287E-04 4774 0.299E-02 0.974E-02 RMM: 6 -0.324962489062E+03 0.41310E-04 -0.28493E-05 2639 0.160E-02 0.787E-02 RMM: 7 -0.324962528546E+03 -0.39484E-04 -0.86864E-05 3758 0.245E-02 0.117E-01 RMM: 8 -0.324962435268E+03 0.93278E-04 -0.17802E-04 3920 0.259E-02 0.453E-02 RMM: 9 -0.324962426647E+03 0.86214E-05 -0.24091E-05 2636 0.132E-02 7507 T= 7567. E= 0.67567442E+03 F= 0.63130656E+03 E0= 0.65976570E+03 EK= 0.61619E+02 SP= -.18E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323870299755E+03 0.10921E+01 -0.16718E-01 8152 0.260E+01 0.353E-01 RMM: 2 -0.323905556699E+03 -0.35257E-01 -0.16518E-01 4897 0.903E-01 0.176E+00 RMM: 3 -0.323883217950E+03 0.22339E-01 -0.20439E-02 5439 0.319E-01 0.333E-01 RMM: 4 -0.323882574155E+03 0.64380E-03 -0.24590E-03 5233 0.108E-01 0.189E-01 RMM: 5 -0.323882465728E+03 0.10843E-03 -0.35119E-04 3943 0.430E-02 0.162E-01 RMM: 6 -0.323882289934E+03 0.17579E-03 -0.97661E-05 3719 0.278E-02 0.430E-02 RMM: 7 -0.323882316153E+03 -0.26219E-04 -0.45247E-05 3088 0.185E-02 0.803E-02 RMM: 8 -0.323882278543E+03 0.37610E-04 -0.42525E-05 2738 0.188E-02 0.319E-02 RMM: 9 -0.323882275250E+03 0.32929E-05 -0.13955E-05 2479 0.105E-02 7508 T= 7492. E= 0.67568003E+03 F= 0.63238671E+03 E0= 0.66084372E+03 EK= 0.61010E+02 SP= -.18E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322808872598E+03 0.10734E+01 -0.17571E-01 8328 0.258E+01 0.224E-01 RMM: 2 -0.322831083011E+03 -0.22210E-01 -0.16116E-01 5032 0.887E-01 0.108E+00 RMM: 3 -0.322822362453E+03 0.87206E-02 -0.16482E-02 5903 0.253E-01 0.199E-01 RMM: 4 -0.322821924834E+03 0.43762E-03 -0.95491E-04 5001 0.651E-02 0.991E-02 RMM: 5 -0.322821848779E+03 0.76055E-04 -0.11547E-04 4083 0.268E-02 0.786E-02 RMM: 6 -0.322821823241E+03 0.25537E-04 -0.27145E-05 2599 0.154E-02 0.643E-02 RMM: 7 -0.322821819308E+03 0.39337E-05 -0.74149E-05 3570 0.220E-02 7509 T= 7414. E= 0.67568695E+03 F= 0.63344717E+03 E0= 0.66190046E+03 EK= 0.60375E+02 SP= -.18E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321860208473E+03 0.96161E+00 -0.17403E-01 8312 0.257E+01 0.213E-01 RMM: 2 -0.321882308301E+03 -0.22100E-01 -0.17021E-01 5038 0.916E-01 0.983E-01 RMM: 3 -0.321874808601E+03 0.74997E-02 -0.17013E-02 5927 0.252E-01 0.214E-01 RMM: 4 -0.321874307823E+03 0.50078E-03 -0.94043E-04 4835 0.684E-02 0.104E-01 RMM: 5 -0.321874244340E+03 0.63483E-04 -0.12835E-04 4038 0.288E-02 0.745E-02 RMM: 6 -0.321874222253E+03 0.22087E-04 -0.26403E-05 2589 0.152E-02 0.584E-02 RMM: 7 -0.321874232069E+03 -0.98162E-05 -0.49736E-05 3109 0.196E-02 7510 T= 7344. E= 0.67569431E+03 F= 0.63439476E+03 E0= 0.66284197E+03 EK= 0.59808E+02 SP= -.19E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321121943536E+03 0.75228E+00 -0.17927E-01 8216 0.256E+01 0.246E-01 RMM: 2 -0.321144655397E+03 -0.22712E-01 -0.17222E-01 4961 0.946E-01 0.105E+00 RMM: 3 -0.321136525753E+03 0.81296E-02 -0.18706E-02 5860 0.269E-01 0.145E-01 RMM: 4 -0.321136223243E+03 0.30251E-03 -0.10994E-03 4885 0.707E-02 0.141E-01 RMM: 5 -0.321136108948E+03 0.11430E-03 -0.15526E-04 3902 0.318E-02 0.757E-02 RMM: 6 -0.321136082784E+03 0.26163E-04 -0.31042E-05 2691 0.163E-02 0.531E-02 RMM: 7 -0.321136083887E+03 -0.11023E-05 -0.51520E-05 3118 0.204E-02 7511 T= 7295. E= 0.67569942E+03 F= 0.63513291E+03 E0= 0.66357430E+03 EK= 0.59410E+02 SP= -.19E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320655450456E+03 0.48063E+00 -0.16635E-01 8160 0.256E+01 0.189E-01 RMM: 2 -0.320673802543E+03 -0.18352E-01 -0.15937E-01 4939 0.906E-01 0.764E-01 RMM: 3 -0.320669372399E+03 0.44301E-02 -0.16983E-02 6102 0.237E-01 0.161E-01 RMM: 4 -0.320668961510E+03 0.41089E-03 -0.75548E-04 4763 0.646E-02 0.122E-01 RMM: 5 -0.320668875096E+03 0.86415E-04 -0.11723E-04 3764 0.293E-02 0.747E-02 RMM: 6 -0.320668850713E+03 0.24383E-04 -0.30641E-05 2748 0.167E-02 0.491E-02 RMM: 7 -0.320668861770E+03 -0.11058E-04 -0.40021E-05 2784 0.182E-02 7512 T= 7275. E= 0.67569991E+03 F= 0.63560013E+03 E0= 0.66403568E+03 EK= 0.59242E+02 SP= -.19E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320457120561E+03 0.21173E+00 -0.15547E-01 8176 0.257E+01 0.181E-01 RMM: 2 -0.320473213973E+03 -0.16093E-01 -0.14059E-01 4898 0.864E-01 0.721E-01 RMM: 3 -0.320469501276E+03 0.37127E-02 -0.15486E-02 6100 0.225E-01 0.143E-01 RMM: 4 -0.320469146035E+03 0.35524E-03 -0.66337E-04 4757 0.613E-02 0.121E-01 RMM: 5 -0.320469061648E+03 0.84387E-04 -0.11053E-04 3729 0.298E-02 0.633E-02 RMM: 6 -0.320469043120E+03 0.18528E-04 -0.28257E-05 2637 0.160E-02 7513 T= 7282. E= 0.67569597E+03 F= 0.63579995E+03 E0= 0.66423254E+03 EK= 0.59303E+02 SP= -.20E+02 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320453610267E+03 0.15451E-01 -0.15738E-01 8064 0.258E+01 0.207E-01 RMM: 2 -0.320476494047E+03 -0.22884E-01 -0.15043E-01 4925 0.887E-01 0.116E+00 RMM: 3 -0.320466603367E+03 0.98907E-02 -0.16157E-02 5651 0.254E-01 0.197E-01 RMM: 4 -0.320466215495E+03 0.38787E-03 -0.10287E-03 4931 0.680E-02 0.983E-02 RMM: 5 -0.320466158265E+03 0.57230E-04 -0.13653E-04 4025 0.296E-02 0.747E-02 RMM: 6 -0.320466135476E+03 0.22789E-04 -0.30074E-05 2674 0.163E-02 0.596E-02 RMM: 7 -0.320466147080E+03 -0.11605E-04 -0.45976E-05 3056 0.200E-02 7514 T= 7310. E= 0.67568891E+03 F= 0.63580284E+03 E0= 0.66423676E+03 EK= 0.59525E+02 SP= -.20E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320537448248E+03 -0.71313E-01 -0.15505E-01 8192 0.259E+01 0.258E-01 RMM: 2 -0.320559122678E+03 -0.21674E-01 -0.13827E-01 5050 0.865E-01 0.120E+00 RMM: 3 -0.320549030801E+03 0.10092E-01 -0.15698E-02 5656 0.258E-01 0.282E-01 RMM: 4 -0.320548409913E+03 0.62089E-03 -0.13439E-03 4855 0.804E-02 0.111E-01 RMM: 5 -0.320548346441E+03 0.63473E-04 -0.19239E-04 3914 0.332E-02 0.922E-02 RMM: 6 -0.320548298795E+03 0.47645E-04 -0.41248E-05 3041 0.196E-02 0.430E-02 RMM: 7 -0.320548302401E+03 -0.36055E-05 -0.20075E-05 2535 0.134E-02 7515 T= 7343. E= 0.67568220E+03 F= 0.63572069E+03 E0= 0.66416082E+03 EK= 0.59799E+02 SP= -.20E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320593811433E+03 -0.45513E-01 -0.15725E-01 8280 0.261E+01 0.204E-01 RMM: 2 -0.320614881444E+03 -0.21070E-01 -0.15972E-01 5047 0.897E-01 0.999E-01 RMM: 3 -0.320607478821E+03 0.74026E-02 -0.16665E-02 5835 0.246E-01 0.183E-01 RMM: 4 -0.320607079763E+03 0.39906E-03 -0.89768E-04 4888 0.654E-02 0.121E-01 RMM: 5 -0.320606985212E+03 0.94550E-04 -0.12878E-04 3848 0.304E-02 0.792E-02 RMM: 6 -0.320606963439E+03 0.21773E-04 -0.31245E-05 2698 0.165E-02 0.677E-02 RMM: 7 -0.320606948811E+03 0.14628E-04 -0.49289E-05 2987 0.198E-02 7516 T= 7370. E= 0.67567747E+03 F= 0.63566204E+03 E0= 0.66411542E+03 EK= 0.60016E+02 SP= -.20E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320554784870E+03 0.52179E-01 -0.15905E-01 8352 0.261E+01 0.212E-01 RMM: 2 -0.320574589166E+03 -0.19804E-01 -0.15916E-01 5069 0.903E-01 0.913E-01 RMM: 3 -0.320568395851E+03 0.61933E-02 -0.17078E-02 5905 0.247E-01 0.190E-01 RMM: 4 -0.320567995186E+03 0.40067E-03 -0.91011E-04 4903 0.654E-02 0.122E-01 RMM: 5 -0.320567890002E+03 0.10518E-03 -0.12622E-04 3892 0.286E-02 0.794E-02 RMM: 6 -0.320567865695E+03 0.24307E-04 -0.28800E-05 2652 0.162E-02 0.602E-02 RMM: 7 -0.320567858261E+03 0.74342E-05 -0.31390E-05 2653 0.160E-02 7517 T= 7380. E= 0.67567580E+03 F= 0.63570113E+03 E0= 0.66417354E+03 EK= 0.60100E+02 SP= -.20E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320393972567E+03 0.17389E+00 -0.16073E-01 8424 0.261E+01 0.203E-01 RMM: 2 -0.320414833748E+03 -0.20861E-01 -0.16676E-01 5142 0.909E-01 0.936E-01 RMM: 3 -0.320408056831E+03 0.67769E-02 -0.16771E-02 6050 0.236E-01 0.185E-01 RMM: 4 -0.320407624798E+03 0.43203E-03 -0.85599E-04 4881 0.660E-02 0.121E-01 RMM: 5 -0.320407528535E+03 0.96263E-04 -0.12268E-04 3807 0.285E-02 0.810E-02 RMM: 6 -0.320407502129E+03 0.26406E-04 -0.30806E-05 2787 0.167E-02 0.611E-02 RMM: 7 -0.320407493918E+03 0.82101E-05 -0.36754E-05 2683 0.171E-02 7518 T= 7371. E= 0.67567720E+03 F= 0.63586150E+03 E0= 0.66435762E+03 EK= 0.60028E+02 SP= -.20E+02 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320134779794E+03 0.27272E+00 -0.16774E-01 8304 0.260E+01 0.194E-01 RMM: 2 -0.320156669766E+03 -0.21890E-01 -0.19114E-01 4946 0.989E-01 0.805E-01 RMM: 3 -0.320151417240E+03 0.52525E-02 -0.20570E-02 6118 0.258E-01 0.144E-01 RMM: 4 -0.320151000613E+03 0.41663E-03 -0.87172E-04 5052 0.660E-02 0.127E-01 RMM: 5 -0.320150890134E+03 0.11048E-03 -0.11874E-04 3940 0.282E-02 0.740E-02 RMM: 6 -0.320150868778E+03 0.21356E-04 -0.28704E-05 2605 0.160E-02 0.577E-02 RMM: 7 -0.320150859403E+03 0.93754E-05 -0.47586E-05 2965 0.185E-02 7519 T= 7346. E= 0.67568076E+03 F= 0.63611813E+03 E0= 0.66464088E+03 EK= 0.59824E+02 SP= -.20E+02 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319842344477E+03 0.30852E+00 -0.16050E-01 8160 0.258E+01 0.204E-01 RMM: 2 -0.319862806344E+03 -0.20462E-01 -0.16483E-01 5035 0.923E-01 0.910E-01 RMM: 3 -0.319856451043E+03 0.63553E-02 -0.17044E-02 6048 0.244E-01 0.192E-01 RMM: 4 -0.319855987263E+03 0.46378E-03 -0.86235E-04 4867 0.674E-02 0.110E-01 RMM: 5 -0.319855917748E+03 0.69516E-04 -0.12348E-04 3820 0.278E-02 0.848E-02 RMM: 6 -0.319855881092E+03 0.36656E-04 -0.31684E-05 2814 0.173E-02 0.509E-02 RMM: 7 -0.319855882194E+03 -0.11016E-05 -0.26756E-05 2615 0.148E-02 7520 T= 7312. E= 0.67568563E+03 F= 0.63641311E+03 E0= 0.66496251E+03 EK= 0.59546E+02 SP= -.20E+02 SK= 0.42E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.319584612712E+03 0.27127E+00 -0.16207E-01 8472 0.257E+01 0.190E-01 RMM: 2 -0.319601639216E+03 -0.17027E-01 -0.14235E-01 5181 0.847E-01 0.797E-01 RMM: 3 -0.319596547747E+03 0.50915E-02 -0.13280E-02 6033 0.225E-01 0.148E-01 RMM: 4 -0.319596290583E+03 0.25716E-03 -0.66840E-04 4924 0.564E-02 0.110E-01 RMM: 5 -0.319596214446E+03 0.76136E-04 -0.91608E-05 3734 0.256E-02 0.713E-02 RMM: 6 -0.319596191558E+03 0.22888E-04 -0.26468E-05 2586 0.156E-02 0.497E-02 RMM: 7 -0.319596191291E+03 0.26709E-06 -0.41531E-05 2780 0.177E-02 7521 T= 7278. E= 0.67568951E+03 F= 0.63667280E+03 E0= 0.66524743E+03 EK= 0.59268E+02 SP= -.20E+02 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319425730638E+03 0.17046E+00 -0.16301E-01 8120 0.255E+01 0.194E-01 RMM: 2 -0.319443949795E+03 -0.18219E-01 -0.14850E-01 5037 0.880E-01 0.836E-01 RMM: 3 -0.319438539019E+03 0.54108E-02 -0.15460E-02 6031 0.235E-01 0.191E-01 RMM: 4 -0.319438114991E+03 0.42403E-03 -0.79684E-04 4765 0.656E-02 0.105E-01 RMM: 5 -0.319438057108E+03 0.57883E-04 -0.11947E-04 3768 0.279E-02 0.843E-02 RMM: 6 -0.319438017830E+03 0.39278E-04 -0.31996E-05 2842 0.175E-02 0.430E-02 RMM: 7 -0.319438021786E+03 -0.39562E-05 -0.20798E-05 2539 0.136E-02 7522 T= 7252. E= 0.67569191E+03 F= 0.63683097E+03 E0= 0.66542780E+03 EK= 0.59056E+02 SP= -.20E+02 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319408468715E+03 0.29549E-01 -0.16134E-01 8360 0.255E+01 0.175E-01 RMM: 2 -0.319424538147E+03 -0.16069E-01 -0.13922E-01 4988 0.858E-01 0.719E-01 RMM: 3 -0.319420449080E+03 0.40891E-02 -0.14573E-02 6082 0.230E-01 0.138E-01 RMM: 4 -0.319420163709E+03 0.28537E-03 -0.63375E-04 4903 0.562E-02 0.101E-01 RMM: 5 -0.319420105908E+03 0.57801E-04 -0.87720E-05 3678 0.265E-02 0.668E-02 RMM: 6 -0.319420084718E+03 0.21190E-04 -0.25952E-05 2563 0.155E-02 0.431E-02 RMM: 7 -0.319420087393E+03 -0.26755E-05 -0.33009E-05 2635 0.168E-02 7523 T= 7239. E= 0.67569093E+03 F= 0.63684890E+03 E0= 0.66546394E+03 EK= 0.58950E+02 SP= -.20E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319521999454E+03 -0.10191E+00 -0.16804E-01 8032 0.255E+01 0.160E-01 RMM: 2 -0.319537871632E+03 -0.15872E-01 -0.14396E-01 4982 0.875E-01 0.632E-01 RMM: 3 -0.319534523032E+03 0.33486E-02 -0.14524E-02 6126 0.221E-01 0.136E-01 RMM: 4 -0.319534273162E+03 0.24987E-03 -0.66990E-04 4693 0.630E-02 0.120E-01 RMM: 5 -0.319534185219E+03 0.87942E-04 -0.99611E-05 3608 0.280E-02 0.680E-02 RMM: 6 -0.319534161306E+03 0.23913E-04 -0.27026E-05 2625 0.161E-02 0.372E-02 RMM: 7 -0.319534163847E+03 -0.25404E-05 -0.18075E-05 2511 0.129E-02 7524 T= 7238. E= 0.67568701E+03 F= 0.63673483E+03 E0= 0.66536352E+03 EK= 0.58941E+02 SP= -.20E+02 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319718820157E+03 -0.18466E+00 -0.15496E-01 8152 0.256E+01 0.166E-01 RMM: 2 -0.319732402165E+03 -0.13582E-01 -0.11892E-01 5082 0.794E-01 0.663E-01 RMM: 3 -0.319728831330E+03 0.35708E-02 -0.11815E-02 6126 0.209E-01 0.138E-01 RMM: 4 -0.319728589787E+03 0.24154E-03 -0.52162E-04 4695 0.525E-02 0.107E-01 RMM: 5 -0.319728520130E+03 0.69658E-04 -0.80907E-05 3527 0.265E-02 0.632E-02 RMM: 6 -0.319728502553E+03 0.17577E-04 -0.24298E-05 2560 0.150E-02 7525 T= 7243. E= 0.67568191E+03 F= 0.63654049E+03 E0= 0.66517711E+03 EK= 0.58979E+02 SP= -.20E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319911591204E+03 -0.18307E+00 -0.15666E-01 7848 0.257E+01 0.198E-01 RMM: 2 -0.319930663455E+03 -0.19072E-01 -0.13968E-01 5026 0.863E-01 0.976E-01 RMM: 3 -0.319923556890E+03 0.71066E-02 -0.14893E-02 5786 0.241E-01 0.185E-01 RMM: 4 -0.319923192881E+03 0.36401E-03 -0.83326E-04 4868 0.633E-02 0.100E-01 RMM: 5 -0.319923133516E+03 0.59365E-04 -0.10838E-04 3822 0.288E-02 0.696E-02 RMM: 6 -0.319923116801E+03 0.16714E-04 -0.26053E-05 2579 0.154E-02 7526 T= 7243. E= 0.67567678E+03 F= 0.63634587E+03 E0= 0.66498368E+03 EK= 0.58987E+02 SP= -.20E+02 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320021607112E+03 -0.98474E-01 -0.15276E-01 8016 0.258E+01 0.312E-01 RMM: 2 -0.320055964813E+03 -0.34358E-01 -0.13253E-01 5123 0.864E-01 0.183E+00 RMM: 3 -0.320032145054E+03 0.23820E-01 -0.16778E-02 5417 0.298E-01 0.284E-01 RMM: 4 -0.320031538647E+03 0.60641E-03 -0.17902E-03 4962 0.863E-02 0.108E-01 RMM: 5 -0.320031480577E+03 0.58069E-04 -0.18750E-04 4117 0.315E-02 0.925E-02 RMM: 6 -0.320031440579E+03 0.39998E-04 -0.30285E-05 2680 0.169E-02 0.670E-02 RMM: 7 -0.320031453245E+03 -0.12666E-04 -0.40978E-05 3015 0.189E-02 7527 T= 7230. E= 0.67567220E+03 F= 0.63623754E+03 E0= 0.66486916E+03 EK= 0.58877E+02 SP= -.20E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319973418758E+03 0.58022E-01 -0.16046E-01 8072 0.259E+01 0.245E-01 RMM: 2 -0.319994691131E+03 -0.21272E-01 -0.14289E-01 5003 0.875E-01 0.112E+00 RMM: 3 -0.319985416931E+03 0.92742E-02 -0.16101E-02 5572 0.267E-01 0.260E-01 RMM: 4 -0.319984938759E+03 0.47817E-03 -0.14419E-03 4959 0.841E-02 0.132E-01 RMM: 5 -0.319984862458E+03 0.76301E-04 -0.21238E-04 3895 0.356E-02 0.102E-01 RMM: 6 -0.319984800092E+03 0.62366E-04 -0.41308E-05 3061 0.193E-02 0.402E-02 RMM: 7 -0.319984806736E+03 -0.66441E-05 -0.25033E-05 2591 0.152E-02 7528 T= 7194. E= 0.67567020E+03 F= 0.63628418E+03 E0= 0.66490256E+03 EK= 0.58584E+02 SP= -.19E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319739989254E+03 0.24481E+00 -0.15866E-01 8280 0.259E+01 0.218E-01 RMM: 2 -0.319761753329E+03 -0.21764E-01 -0.14485E-01 5036 0.861E-01 0.114E+00 RMM: 3 -0.319752132791E+03 0.96205E-02 -0.15384E-02 5739 0.250E-01 0.178E-01 RMM: 4 -0.319751821309E+03 0.31148E-03 -0.96116E-04 4808 0.672E-02 0.129E-01 RMM: 5 -0.319751715989E+03 0.10532E-03 -0.13490E-04 3867 0.314E-02 0.751E-02 RMM: 6 -0.319751690203E+03 0.25786E-04 -0.32298E-05 2770 0.170E-02 0.577E-02 RMM: 7 -0.319751688222E+03 0.19816E-05 -0.32381E-05 2637 0.166E-02 7529 T= 7132. E= 0.67567099E+03 F= 0.63651730E+03 E0= 0.66511609E+03 EK= 0.58080E+02 SP= -.19E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319331001901E+03 0.42069E+00 -0.15221E-01 8328 0.257E+01 0.187E-01 RMM: 2 -0.319349814137E+03 -0.18812E-01 -0.14432E-01 5049 0.854E-01 0.906E-01 RMM: 3 -0.319343435054E+03 0.63791E-02 -0.15483E-02 6009 0.236E-01 0.178E-01 RMM: 4 -0.319343048324E+03 0.38673E-03 -0.79057E-04 4721 0.643E-02 0.108E-01 RMM: 5 -0.319342982438E+03 0.65885E-04 -0.11565E-04 3714 0.291E-02 0.698E-02 RMM: 6 -0.319342962526E+03 0.19913E-04 -0.28613E-05 2643 0.160E-02 7530 T= 7046. E= 0.67567446E+03 F= 0.63692603E+03 E0= 0.66550163E+03 EK= 0.57379E+02 SP= -.19E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318795783552E+03 0.54720E+00 -0.16392E-01 8016 0.255E+01 0.195E-01 RMM: 2 -0.318819536990E+03 -0.23753E-01 -0.17959E-01 4990 0.955E-01 0.101E+00 RMM: 3 -0.318811452283E+03 0.80847E-02 -0.18740E-02 5838 0.263E-01 0.189E-01 RMM: 4 -0.318811001693E+03 0.45059E-03 -0.95609E-04 4898 0.684E-02 0.111E-01 RMM: 5 -0.318810923087E+03 0.78605E-04 -0.12466E-04 4109 0.297E-02 0.754E-02 RMM: 6 -0.318810903089E+03 0.19999E-04 -0.26481E-05 2569 0.153E-02 7531 T= 6943. E= 0.67568126E+03 F= 0.63745809E+03 E0= 0.66601005E+03 EK= 0.56540E+02 SP= -.18E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318232507922E+03 0.57842E+00 -0.15551E-01 8232 0.252E+01 0.379E-01 RMM: 2 -0.318277994864E+03 -0.45487E-01 -0.17490E-01 4920 0.986E-01 0.210E+00 RMM: 3 -0.318246535560E+03 0.31459E-01 -0.23172E-02 5397 0.353E-01 0.390E-01 RMM: 4 -0.318245373428E+03 0.11621E-02 -0.25821E-03 5282 0.105E-01 0.102E-01 RMM: 5 -0.318245356712E+03 0.16716E-04 -0.30099E-04 4319 0.333E-02 0.113E-01 RMM: 6 -0.318245283078E+03 0.73634E-04 -0.42328E-05 3039 0.194E-02 0.611E-02 RMM: 7 -0.318245293350E+03 -0.10271E-04 -0.30157E-05 2674 0.158E-02 7532 T= 6834. E= 0.67568937E+03 F= 0.63802370E+03 E0= 0.66655485E+03 EK= 0.55656E+02 SP= -.18E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317747403586E+03 0.49788E+00 -0.14983E-01 8104 0.250E+01 0.329E-01 RMM: 2 -0.317779667390E+03 -0.32264E-01 -0.16961E-01 5001 0.937E-01 0.160E+00 RMM: 3 -0.317761161422E+03 0.18506E-01 -0.19991E-02 5413 0.319E-01 0.339E-01 RMM: 4 -0.317760466520E+03 0.69490E-03 -0.22864E-03 5218 0.102E-01 0.167E-01 RMM: 5 -0.317760468613E+03 -0.20935E-05 -0.34846E-04 3943 0.432E-02 0.179E-01 RMM: 6 -0.317760267155E+03 0.20146E-03 -0.11561E-04 3749 0.306E-02 0.460E-02 RMM: 7 -0.317760266040E+03 0.11148E-05 -0.22618E-05 2573 0.136E-02 7533 T= 6735. E= 0.67569769E+03 F= 0.63850872E+03 E0= 0.66702422E+03 EK= 0.54844E+02 SP= -.18E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317460642136E+03 0.29963E+00 -0.14576E-01 8184 0.247E+01 0.321E-01 RMM: 2 -0.317495836944E+03 -0.35195E-01 -0.17029E-01 5038 0.964E-01 0.173E+00 RMM: 3 -0.317474554260E+03 0.21283E-01 -0.19943E-02 5512 0.309E-01 0.295E-01 RMM: 4 -0.317473876700E+03 0.67756E-03 -0.17845E-03 5031 0.862E-02 0.120E-01 RMM: 5 -0.317473804127E+03 0.72574E-04 -0.22694E-04 3941 0.366E-02 0.100E-01 RMM: 6 -0.317473739018E+03 0.65109E-04 -0.57040E-05 3258 0.220E-02 0.511E-02 RMM: 7 -0.317473742452E+03 -0.34340E-05 -0.29260E-05 2585 0.159E-02 7534 T= 6659. E= 0.67570494E+03 F= 0.63879525E+03 E0= 0.66730221E+03 EK= 0.54224E+02 SP= -.18E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317469842561E+03 0.38965E-02 -0.13138E-01 8112 0.245E+01 0.245E-01 RMM: 2 -0.317493479377E+03 -0.23637E-01 -0.16341E-01 4929 0.933E-01 0.115E+00 RMM: 3 -0.317483956235E+03 0.95231E-02 -0.18858E-02 5738 0.273E-01 0.210E-01 RMM: 4 -0.317483494591E+03 0.46164E-03 -0.12060E-03 5004 0.728E-02 0.107E-01 RMM: 5 -0.317483454904E+03 0.39687E-04 -0.16881E-04 3920 0.327E-02 0.937E-02 RMM: 6 -0.317483401061E+03 0.53843E-04 -0.42167E-05 3050 0.193E-02 0.421E-02 RMM: 7 -0.317483402978E+03 -0.19169E-05 -0.17508E-05 2513 0.132E-02 7535 T= 6618. E= 0.67570923E+03 F= 0.63878559E+03 E0= 0.66729141E+03 EK= 0.53894E+02 SP= -.17E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317830583152E+03 -0.34718E+00 -0.13983E-01 7936 0.243E+01 0.236E-01 RMM: 2 -0.317855514812E+03 -0.24932E-01 -0.17510E-01 4889 0.968E-01 0.117E+00 RMM: 3 -0.317845637820E+03 0.98770E-02 -0.19434E-02 5821 0.270E-01 0.209E-01 RMM: 4 -0.317845154037E+03 0.48378E-03 -0.11371E-03 4886 0.745E-02 0.126E-01 RMM: 5 -0.317845080670E+03 0.73367E-04 -0.17756E-04 3915 0.330E-02 0.937E-02 RMM: 6 -0.317845027090E+03 0.53580E-04 -0.48735E-05 3168 0.204E-02 0.409E-02 RMM: 7 -0.317845028790E+03 -0.17001E-05 -0.24318E-05 2531 0.152E-02 7536 T= 6620. E= 0.67570930E+03 F= 0.63842396E+03 E0= 0.66693514E+03 EK= 0.53909E+02 SP= -.17E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318544765050E+03 -0.69974E+00 -0.13766E-01 8080 0.243E+01 0.210E-01 RMM: 2 -0.318565550374E+03 -0.20785E-01 -0.17089E-01 4887 0.956E-01 0.892E-01 RMM: 3 -0.318559711658E+03 0.58387E-02 -0.19345E-02 5991 0.256E-01 0.175E-01 RMM: 4 -0.318559248985E+03 0.46267E-03 -0.92293E-04 4962 0.690E-02 0.118E-01 RMM: 5 -0.318559179280E+03 0.69705E-04 -0.14562E-04 3908 0.306E-02 0.872E-02 RMM: 6 -0.318559138208E+03 0.41071E-04 -0.38321E-05 2980 0.186E-02 0.443E-02 RMM: 7 -0.318559142471E+03 -0.42629E-05 -0.22119E-05 2535 0.145E-02 7537 T= 6664. E= 0.67570525E+03 F= 0.63770985E+03 E0= 0.66623175E+03 EK= 0.54266E+02 SP= -.17E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319555808068E+03 -0.99667E+00 -0.14705E-01 8272 0.245E+01 0.199E-01 RMM: 2 -0.319577978920E+03 -0.22171E-01 -0.18030E-01 4966 0.968E-01 0.924E-01 RMM: 3 -0.319571604235E+03 0.63747E-02 -0.19042E-02 6022 0.250E-01 0.186E-01 RMM: 4 -0.319571092076E+03 0.51216E-03 -0.90815E-04 4861 0.702E-02 0.114E-01 RMM: 5 -0.319571020211E+03 0.71865E-04 -0.13758E-04 3873 0.299E-02 0.781E-02 RMM: 6 -0.319570991923E+03 0.28288E-04 -0.31603E-05 2819 0.170E-02 0.492E-02 RMM: 7 -0.319570992698E+03 -0.77493E-06 -0.24114E-05 2545 0.149E-02 7538 T= 6743. E= 0.67569837E+03 F= 0.63669800E+03 E0= 0.66523389E+03 EK= 0.54908E+02 SP= -.16E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320769122813E+03 -0.11981E+01 -0.14810E-01 8472 0.247E+01 0.179E-01 RMM: 2 -0.320788000354E+03 -0.18878E-01 -0.16788E-01 5079 0.921E-01 0.726E-01 RMM: 3 -0.320783746064E+03 0.42543E-02 -0.16721E-02 6110 0.234E-01 0.157E-01 RMM: 4 -0.320783349129E+03 0.39694E-03 -0.73890E-04 4830 0.632E-02 0.119E-01 RMM: 5 -0.320783257830E+03 0.91299E-04 -0.11812E-04 3807 0.282E-02 0.757E-02 RMM: 6 -0.320783234954E+03 0.22877E-04 -0.27821E-05 2601 0.160E-02 0.519E-02 RMM: 7 -0.320783229660E+03 0.52931E-05 -0.23607E-05 2555 0.145E-02 7539 T= 6844. E= 0.67568974E+03 F= 0.63548576E+03 E0= 0.66403770E+03 EK= 0.55734E+02 SP= -.16E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322063370144E+03 -0.12801E+01 -0.14851E-01 8920 0.249E+01 0.184E-01 RMM: 2 -0.322080664847E+03 -0.17295E-01 -0.14345E-01 5252 0.842E-01 0.821E-01 RMM: 3 -0.322075471733E+03 0.51931E-02 -0.12732E-02 6076 0.212E-01 0.180E-01 RMM: 4 -0.322075099757E+03 0.37198E-03 -0.68740E-04 4719 0.604E-02 0.112E-01 RMM: 5 -0.322075024737E+03 0.75019E-04 -0.11321E-04 3777 0.279E-02 0.762E-02 RMM: 6 -0.322075001556E+03 0.23181E-04 -0.26977E-05 2678 0.158E-02 0.550E-02 RMM: 7 -0.322074995057E+03 0.64989E-05 -0.30528E-05 2597 0.162E-02 7540 T= 6953. E= 0.67568056E+03 F= 0.63419399E+03 E0= 0.66276127E+03 EK= 0.56619E+02 SP= -.15E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323310687198E+03 -0.12357E+01 -0.15226E-01 8848 0.252E+01 0.180E-01 RMM: 2 -0.323327549000E+03 -0.16862E-01 -0.14709E-01 5203 0.849E-01 0.731E-01 RMM: 3 -0.323323087325E+03 0.44617E-02 -0.13370E-02 6116 0.217E-01 0.162E-01 RMM: 4 -0.323322778361E+03 0.30896E-03 -0.67479E-04 4720 0.601E-02 0.125E-01 RMM: 5 -0.323322673433E+03 0.10493E-03 -0.11584E-04 3772 0.285E-02 0.717E-02 RMM: 6 -0.323322653789E+03 0.19643E-04 -0.26690E-05 2630 0.156E-02 7541 T= 7053. E= 0.67567238E+03 F= 0.63294634E+03 E0= 0.66152637E+03 EK= 0.57437E+02 SP= -.15E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324405339776E+03 -0.10827E+01 -0.15475E-01 8696 0.254E+01 0.180E-01 RMM: 2 -0.324424709040E+03 -0.19369E-01 -0.14737E-01 5294 0.836E-01 0.919E-01 RMM: 3 -0.324417786004E+03 0.69230E-02 -0.12532E-02 5691 0.227E-01 0.178E-01 RMM: 4 -0.324417516213E+03 0.26979E-03 -0.80327E-04 4968 0.586E-02 0.101E-01 RMM: 5 -0.324417440544E+03 0.75669E-04 -0.91794E-05 3836 0.254E-02 0.698E-02 RMM: 6 -0.324417435483E+03 0.50613E-05 -0.24310E-05 2558 0.142E-02 7542 T= 7132. E= 0.67566678E+03 F= 0.63185155E+03 E0= 0.66043954E+03 EK= 0.58075E+02 SP= -.15E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325270120353E+03 -0.85268E+00 -0.15417E-01 8528 0.255E+01 0.292E-01 RMM: 2 -0.325301854622E+03 -0.31734E-01 -0.14551E-01 5097 0.869E-01 0.166E+00 RMM: 3 -0.325281827639E+03 0.20027E-01 -0.16146E-02 5432 0.288E-01 0.273E-01 RMM: 4 -0.325281277918E+03 0.54972E-03 -0.16502E-03 4919 0.848E-02 0.101E-01 RMM: 5 -0.325281245615E+03 0.32303E-04 -0.20019E-04 3994 0.330E-02 0.955E-02 RMM: 6 -0.325281194323E+03 0.51292E-04 -0.41647E-05 3024 0.196E-02 0.461E-02 RMM: 7 -0.325281203881E+03 -0.95579E-05 -0.21240E-05 2536 0.140E-02 7543 T= 7178. E= 0.67566378E+03 F= 0.63098779E+03 E0= 0.65957913E+03 EK= 0.58455E+02 SP= -.14E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325862098649E+03 -0.58090E+00 -0.14909E-01 8440 0.256E+01 0.257E-01 RMM: 2 -0.325887191739E+03 -0.25093E-01 -0.14195E-01 5147 0.843E-01 0.135E+00 RMM: 3 -0.325873663601E+03 0.13528E-01 -0.14379E-02 5454 0.264E-01 0.261E-01 RMM: 4 -0.325873243890E+03 0.41971E-03 -0.14014E-03 4877 0.800E-02 0.134E-01 RMM: 5 -0.325873152427E+03 0.91463E-04 -0.19808E-04 3892 0.361E-02 0.943E-02 RMM: 6 -0.325873096266E+03 0.56161E-04 -0.45918E-05 3116 0.200E-02 0.441E-02 RMM: 7 -0.325873100505E+03 -0.42391E-05 -0.23697E-05 2527 0.151E-02 7544 T= 7188. E= 0.67566296E+03 F= 0.63039589E+03 E0= 0.65898368E+03 EK= 0.58535E+02 SP= -.14E+02 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326176609193E+03 -0.30351E+00 -0.14661E-01 8224 0.255E+01 0.199E-01 RMM: 2 -0.326195927125E+03 -0.19318E-01 -0.14165E-01 5046 0.849E-01 0.972E-01 RMM: 3 -0.326188623336E+03 0.73038E-02 -0.14615E-02 5688 0.247E-01 0.183E-01 RMM: 4 -0.326188309744E+03 0.31359E-03 -0.88270E-04 4918 0.632E-02 0.992E-02 RMM: 5 -0.326188249879E+03 0.59864E-04 -0.11450E-04 3827 0.292E-02 0.721E-02 RMM: 6 -0.326188223059E+03 0.26820E-04 -0.29229E-05 2698 0.164E-02 0.466E-02 RMM: 7 -0.326188225768E+03 -0.27089E-05 -0.30896E-05 2616 0.165E-02 7545 T= 7161. E= 0.67566436E+03 F= 0.63008076E+03 E0= 0.65865880E+03 EK= 0.58311E+02 SP= -.13E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326241348983E+03 -0.53126E-01 -0.14005E-01 8136 0.254E+01 0.189E-01 RMM: 2 -0.326258177915E+03 -0.16829E-01 -0.12977E-01 5023 0.823E-01 0.866E-01 RMM: 3 -0.326252415783E+03 0.57621E-02 -0.13672E-02 5922 0.228E-01 0.160E-01 RMM: 4 -0.326252144424E+03 0.27136E-03 -0.73497E-04 4744 0.620E-02 0.117E-01 RMM: 5 -0.326252065163E+03 0.79261E-04 -0.11411E-04 3730 0.296E-02 0.732E-02 RMM: 6 -0.326252034245E+03 0.30918E-04 -0.31192E-05 2794 0.173E-02 0.377E-02 RMM: 7 -0.326252035038E+03 -0.79308E-06 -0.15965E-05 2507 0.126E-02 7546 T= 7099. E= 0.67566753E+03 F= 0.63001695E+03 E0= 0.65858066E+03 EK= 0.57814E+02 SP= -.13E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326095228181E+03 0.15681E+00 -0.13952E-01 7864 0.252E+01 0.159E-01 RMM: 2 -0.326111201955E+03 -0.15974E-01 -0.13894E-01 4866 0.868E-01 0.681E-01 RMM: 3 -0.326107528880E+03 0.36731E-02 -0.15671E-02 5981 0.236E-01 0.142E-01 RMM: 4 -0.326107217433E+03 0.31145E-03 -0.64621E-04 4793 0.590E-02 0.101E-01 RMM: 5 -0.326107147805E+03 0.69629E-04 -0.95039E-05 3692 0.282E-02 0.637E-02 RMM: 6 -0.326107128710E+03 0.19095E-04 -0.26013E-05 2562 0.157E-02 7547 T= 7010. E= 0.67567126E+03 F= 0.63016186E+03 E0= 0.65870869E+03 EK= 0.57089E+02 SP= -.12E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325790808379E+03 0.31634E+00 -0.12473E-01 7704 0.250E+01 0.218E-01 RMM: 2 -0.325808931672E+03 -0.18123E-01 -0.10926E-01 4913 0.780E-01 0.112E+00 RMM: 3 -0.325800062163E+03 0.88695E-02 -0.12857E-02 5565 0.240E-01 0.211E-01 RMM: 4 -0.325799682747E+03 0.37942E-03 -0.91332E-04 4797 0.636E-02 0.785E-02 RMM: 5 -0.325799653957E+03 0.28790E-04 -0.11147E-04 3944 0.271E-02 0.720E-02 RMM: 6 -0.325799629451E+03 0.24506E-04 -0.25069E-05 2565 0.151E-02 0.503E-02 RMM: 7 -0.325799638502E+03 -0.90516E-05 -0.23096E-05 2561 0.149E-02 7548 T= 6900. E= 0.67567438E+03 F= 0.63046935E+03 E0= 0.65899840E+03 EK= 0.56189E+02 SP= -.12E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325363144593E+03 0.43648E+00 -0.12132E-01 7600 0.247E+01 0.204E-01 RMM: 2 -0.325379060535E+03 -0.15916E-01 -0.97338E-02 4889 0.739E-01 0.105E+00 RMM: 3 -0.325371284027E+03 0.77765E-02 -0.11242E-02 5521 0.225E-01 0.188E-01 RMM: 4 -0.325371087833E+03 0.19619E-03 -0.95409E-04 4695 0.688E-02 0.129E-01 RMM: 5 -0.325371037576E+03 0.50258E-04 -0.15670E-04 3855 0.329E-02 0.989E-02 RMM: 6 -0.325370969611E+03 0.67965E-04 -0.42248E-05 3073 0.199E-02 0.260E-02 RMM: 7 -0.325370971362E+03 -0.17511E-05 -0.14541E-05 2495 0.122E-02 7549 T= 6774. E= 0.67567713E+03 F= 0.63089802E+03 E0= 0.65941093E+03 EK= 0.55161E+02 SP= -.11E+02 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324845227393E+03 0.52574E+00 -0.12152E-01 7576 0.245E+01 0.205E-01 RMM: 2 -0.324861215452E+03 -0.15988E-01 -0.99276E-02 4927 0.754E-01 0.105E+00 RMM: 3 -0.324853602268E+03 0.76132E-02 -0.11431E-02 5617 0.220E-01 0.198E-01 RMM: 4 -0.324853254664E+03 0.34760E-03 -0.78043E-04 4718 0.611E-02 0.812E-02 RMM: 5 -0.324853224970E+03 0.29693E-04 -0.11299E-04 3789 0.277E-02 0.748E-02 RMM: 6 -0.324853190315E+03 0.34655E-04 -0.28483E-05 2672 0.163E-02 0.386E-02 RMM: 7 -0.324853190514E+03 -0.19838E-06 -0.15757E-05 2499 0.123E-02 7550 T= 6637. E= 0.67567957E+03 F= 0.63141580E+03 E0= 0.65991537E+03 EK= 0.54045E+02 SP= -.10E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324263732409E+03 0.58946E+00 -0.11570E-01 7808 0.242E+01 0.161E-01 RMM: 2 -0.324275200603E+03 -0.11468E-01 -0.90558E-02 4850 0.722E-01 0.721E-01 RMM: 3 -0.324271590651E+03 0.36100E-02 -0.10645E-02 5798 0.200E-01 0.144E-01 RMM: 4 -0.324271355685E+03 0.23497E-03 -0.54520E-04 4773 0.523E-02 0.800E-02 RMM: 5 -0.324271321997E+03 0.33688E-04 -0.73494E-05 3537 0.241E-02 0.589E-02 RMM: 6 -0.324271304183E+03 0.17814E-04 -0.21676E-05 2538 0.143E-02 7551 T= 6493. E= 0.67568214E+03 F= 0.63199769E+03 E0= 0.66048779E+03 EK= 0.52872E+02 SP= -.99E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323641996975E+03 0.62933E+00 -0.11736E-01 7552 0.239E+01 0.174E-01 RMM: 2 -0.323655965888E+03 -0.13969E-01 -0.10468E-01 4825 0.763E-01 0.827E-01 RMM: 3 -0.323651098984E+03 0.48669E-02 -0.12171E-02 5748 0.215E-01 0.164E-01 RMM: 4 -0.323650799306E+03 0.29968E-03 -0.67931E-04 4856 0.567E-02 0.771E-02 RMM: 5 -0.323650760148E+03 0.39158E-04 -0.85994E-05 3755 0.243E-02 0.662E-02 RMM: 6 -0.323650739805E+03 0.20342E-04 -0.22376E-05 2536 0.145E-02 0.454E-02 RMM: 7 -0.323650743045E+03 -0.32396E-05 -0.21615E-05 2547 0.137E-02 7552 T= 6345. E= 0.67568462E+03 F= 0.63261825E+03 E0= 0.66110271E+03 EK= 0.51673E+02 SP= -.93E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323013514431E+03 0.63723E+00 -0.11048E-01 7640 0.236E+01 0.211E-01 RMM: 2 -0.323029191025E+03 -0.15677E-01 -0.10106E-01 4902 0.759E-01 0.101E+00 RMM: 3 -0.323022203907E+03 0.69871E-02 -0.12241E-02 5746 0.213E-01 0.200E-01 RMM: 4 -0.323021837921E+03 0.36599E-03 -0.90178E-04 4738 0.681E-02 0.961E-02 RMM: 5 -0.323021819003E+03 0.18918E-04 -0.12568E-04 3780 0.269E-02 7553 T= 6200. E= 0.67568831E+03 F= 0.63324717E+03 E0= 0.66172956E+03 EK= 0.50487E+02 SP= -.87E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322414581891E+03 0.60726E+00 -0.11765E-01 7560 0.234E+01 0.155E-01 RMM: 2 -0.322430116202E+03 -0.15534E-01 -0.12844E-01 4900 0.833E-01 0.748E-01 RMM: 3 -0.322426043268E+03 0.40729E-02 -0.14631E-02 6007 0.212E-01 0.150E-01 RMM: 4 -0.322425658832E+03 0.38444E-03 -0.62749E-04 4755 0.576E-02 0.820E-02 RMM: 5 -0.322425607881E+03 0.50951E-04 -0.81211E-05 3678 0.240E-02 0.674E-02 RMM: 6 -0.322425592386E+03 0.15495E-04 -0.25235E-05 2547 0.152E-02 7554 T= 6061. E= 0.67569343E+03 F= 0.63384340E+03 E0= 0.66232709E+03 EK= 0.49358E+02 SP= -.81E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321913240709E+03 0.51237E+00 -0.10416E-01 7376 0.231E+01 0.259E-01 RMM: 2 -0.321937094864E+03 -0.23854E-01 -0.85154E-02 4947 0.693E-01 0.157E+00 RMM: 3 -0.321919923274E+03 0.17172E-01 -0.11705E-02 5386 0.251E-01 0.236E-01 RMM: 4 -0.321919557788E+03 0.36549E-03 -0.12512E-03 5005 0.657E-02 0.719E-02 RMM: 5 -0.321919526877E+03 0.30911E-04 -0.11325E-04 3752 0.281E-02 0.742E-02 RMM: 6 -0.321919495520E+03 0.31357E-04 -0.26507E-05 2628 0.156E-02 0.446E-02 RMM: 7 -0.321919500342E+03 -0.48215E-05 -0.21972E-05 2519 0.147E-02 7555 T= 5937. E= 0.67569771E+03 F= 0.63434949E+03 E0= 0.66283673E+03 EK= 0.48345E+02 SP= -.76E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321565207485E+03 0.35429E+00 -0.10284E-01 7632 0.229E+01 0.348E-01 RMM: 2 -0.321596444817E+03 -0.31237E-01 -0.93539E-02 5015 0.758E-01 0.190E+00 RMM: 3 -0.321572013711E+03 0.24431E-01 -0.14377E-02 5396 0.286E-01 0.342E-01 RMM: 4 -0.321571187424E+03 0.82629E-03 -0.18920E-03 4905 0.932E-02 0.116E-01 RMM: 5 -0.321571252854E+03 -0.65431E-04 -0.28131E-04 3891 0.399E-02 0.154E-01 RMM: 6 -0.321571089495E+03 0.16336E-03 -0.81303E-05 3548 0.262E-02 0.396E-02 RMM: 7 -0.321571081788E+03 0.77068E-05 -0.17000E-05 2523 0.120E-02 7556 T= 5835. E= 0.67570223E+03 F= 0.63469791E+03 E0= 0.66319110E+03 EK= 0.47519E+02 SP= -.71E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321442185815E+03 0.12890E+00 -0.10087E-01 7752 0.227E+01 0.203E-01 RMM: 2 -0.321456068460E+03 -0.13883E-01 -0.78720E-02 5069 0.660E-01 0.104E+00 RMM: 3 -0.321448582272E+03 0.74862E-02 -0.90132E-03 5471 0.206E-01 0.181E-01 RMM: 4 -0.321448351941E+03 0.23033E-03 -0.77836E-04 4874 0.548E-02 0.809E-02 RMM: 5 -0.321448306182E+03 0.45760E-04 -0.89371E-05 3709 0.247E-02 0.680E-02 RMM: 6 -0.321448278491E+03 0.27691E-04 -0.23018E-05 2569 0.145E-02 0.409E-02 RMM: 7 -0.321448278854E+03 -0.36314E-06 -0.17568E-05 2514 0.126E-02 7557 T= 5765. E= 0.67570619E+03 F= 0.63482071E+03 E0= 0.66332308E+03 EK= 0.46948E+02 SP= -.66E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321599937766E+03 -0.15166E+00 -0.10008E-01 7664 0.226E+01 0.183E-01 RMM: 2 -0.321610922891E+03 -0.10985E-01 -0.72787E-02 5010 0.646E-01 0.849E-01 RMM: 3 -0.321605899800E+03 0.50231E-02 -0.83361E-03 5642 0.186E-01 0.161E-01 RMM: 4 -0.321605677279E+03 0.22252E-03 -0.60516E-04 4781 0.527E-02 0.853E-02 RMM: 5 -0.321605653307E+03 0.23972E-04 -0.90198E-05 3636 0.253E-02 0.692E-02 RMM: 6 -0.321605623751E+03 0.29557E-04 -0.23674E-05 2598 0.151E-02 0.299E-02 RMM: 7 -0.321605625304E+03 -0.15537E-05 -0.10936E-05 2482 0.103E-02 7558 T= 5733. E= 0.67570758E+03 F= 0.63466336E+03 E0= 0.66317786E+03 EK= 0.46684E+02 SP= -.61E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322059372878E+03 -0.45375E+00 -0.11054E-01 7696 0.226E+01 0.152E-01 RMM: 2 -0.322069852739E+03 -0.10480E-01 -0.88374E-02 4956 0.695E-01 0.640E-01 RMM: 3 -0.322066928652E+03 0.29241E-02 -0.99025E-03 5921 0.181E-01 0.120E-01 RMM: 4 -0.322066736665E+03 0.19199E-03 -0.48846E-04 4567 0.503E-02 0.103E-01 RMM: 5 -0.322066665548E+03 0.71117E-04 -0.76288E-05 3511 0.245E-02 0.565E-02 RMM: 6 -0.322066647814E+03 0.17734E-04 -0.22122E-05 2537 0.142E-02 7559 T= 5741. E= 0.67570687E+03 F= 0.63420234E+03 E0= 0.66273313E+03 EK= 0.46748E+02 SP= -.56E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322812809346E+03 -0.74614E+00 -0.10573E-01 7448 0.227E+01 0.158E-01 RMM: 2 -0.322822988149E+03 -0.10179E-01 -0.71049E-02 5004 0.634E-01 0.766E-01 RMM: 3 -0.322818815335E+03 0.41728E-02 -0.79043E-03 5677 0.176E-01 0.145E-01 RMM: 4 -0.322818609884E+03 0.20545E-03 -0.48181E-04 4608 0.471E-02 0.703E-02 RMM: 5 -0.322818577223E+03 0.32661E-04 -0.63178E-05 3383 0.217E-02 0.572E-02 RMM: 6 -0.322818562894E+03 0.14329E-04 -0.22461E-05 2530 0.144E-02 7560 T= 5787. E= 0.67570388E+03 F= 0.63345043E+03 E0= 0.66200142E+03 EK= 0.47125E+02 SP= -.52E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323807495049E+03 -0.98892E+00 -0.10753E-01 7592 0.228E+01 0.283E-01 RMM: 2 -0.323830598122E+03 -0.23103E-01 -0.73624E-02 5052 0.680E-01 0.161E+00 RMM: 3 -0.323813038017E+03 0.17560E-01 -0.10952E-02 5365 0.252E-01 0.278E-01 RMM: 4 -0.323812489891E+03 0.54813E-03 -0.12684E-03 4654 0.731E-02 0.761E-02 RMM: 5 -0.323812489196E+03 0.69468E-06 -0.15866E-04 3901 0.303E-02 7561 T= 5865. E= 0.67569968E+03 F= 0.63245650E+03 E0= 0.66103097E+03 EK= 0.47762E+02 SP= -.48E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324967428001E+03 -0.11549E+01 -0.10833E-01 7632 0.231E+01 0.193E-01 RMM: 2 -0.324984084644E+03 -0.16657E-01 -0.72438E-02 5107 0.633E-01 0.122E+00 RMM: 3 -0.324973516006E+03 0.10569E-01 -0.85490E-03 5404 0.205E-01 0.190E-01 RMM: 4 -0.324973278401E+03 0.23760E-03 -0.87602E-04 4757 0.595E-02 0.917E-02 RMM: 5 -0.324973233419E+03 0.44982E-04 -0.10377E-04 3805 0.257E-02 0.745E-02 RMM: 6 -0.324973202725E+03 0.30694E-04 -0.23301E-05 2555 0.148E-02 0.443E-02 RMM: 7 -0.324973207748E+03 -0.50230E-05 -0.25086E-05 2620 0.144E-02 7562 T= 5966. E= 0.67569429E+03 F= 0.63129578E+03 E0= 0.65989664E+03 EK= 0.48583E+02 SP= -.44E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326208067119E+03 -0.12349E+01 -0.11216E-01 7856 0.233E+01 0.240E-01 RMM: 2 -0.326222272534E+03 -0.14205E-01 -0.81206E-02 4903 0.697E-01 0.107E+00 RMM: 3 -0.326214512799E+03 0.77597E-02 -0.99787E-03 5490 0.217E-01 0.215E-01 RMM: 4 -0.326214228480E+03 0.28432E-03 -0.95924E-04 4665 0.662E-02 0.118E-01 RMM: 5 -0.326214183064E+03 0.45415E-04 -0.16274E-04 3868 0.325E-02 0.949E-02 RMM: 6 -0.326214124589E+03 0.58475E-04 -0.42150E-05 3104 0.196E-02 0.266E-02 RMM: 7 -0.326214128853E+03 -0.42638E-05 -0.14654E-05 2498 0.120E-02 7563 T= 6078. E= 0.67568863E+03 F= 0.63005486E+03 E0= 0.65868314E+03 EK= 0.49496E+02 SP= -.41E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327445367761E+03 -0.12312E+01 -0.11423E-01 7960 0.236E+01 0.159E-01 RMM: 2 -0.327457120665E+03 -0.11753E-01 -0.95513E-02 4910 0.742E-01 0.723E-01 RMM: 3 -0.327453763244E+03 0.33574E-02 -0.11410E-02 6028 0.194E-01 0.131E-01 RMM: 4 -0.327453498877E+03 0.26437E-03 -0.54802E-04 4555 0.561E-02 0.113E-01 RMM: 5 -0.327453403716E+03 0.95161E-04 -0.95121E-05 3636 0.278E-02 0.557E-02 RMM: 6 -0.327453391991E+03 0.11724E-04 -0.20236E-05 2530 0.125E-02 7564 T= 6191. E= 0.67568414E+03 F= 0.62881560E+03 E0= 0.65746867E+03 EK= 0.50417E+02 SP= -.38E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328615577532E+03 -0.11622E+01 -0.12081E-01 7784 0.238E+01 0.150E-01 RMM: 2 -0.328629678118E+03 -0.14101E-01 -0.11722E-01 4836 0.798E-01 0.710E-01 RMM: 3 -0.328626043064E+03 0.36351E-02 -0.13682E-02 5992 0.208E-01 0.144E-01 RMM: 4 -0.328625682645E+03 0.36042E-03 -0.57609E-04 4971 0.534E-02 0.778E-02 RMM: 5 -0.328625645580E+03 0.37066E-04 -0.67840E-05 3252 0.243E-02 0.631E-02 RMM: 6 -0.328625633609E+03 0.11971E-04 -0.22197E-05 2531 0.144E-02 7565 T= 6297. E= 0.67568112E+03 F= 0.62764336E+03 E0= 0.65631850E+03 EK= 0.51279E+02 SP= -.34E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329680805264E+03 -0.10552E+01 -0.11753E-01 7792 0.240E+01 0.334E-01 RMM: 2 -0.329713371257E+03 -0.32566E-01 -0.10357E-01 4862 0.788E-01 0.190E+00 RMM: 3 -0.329688577452E+03 0.24794E-01 -0.16221E-02 5391 0.304E-01 0.289E-01 RMM: 4 -0.329687981553E+03 0.59590E-03 -0.17803E-03 4912 0.841E-02 0.961E-02 RMM: 5 -0.329687959206E+03 0.22347E-04 -0.19928E-04 4001 0.330E-02 0.102E-01 RMM: 6 -0.329687891895E+03 0.67311E-04 -0.38025E-05 2933 0.187E-02 0.448E-02 RMM: 7 -0.329687888991E+03 0.29040E-05 -0.19531E-05 2519 0.139E-02 7566 T= 6390. E= 0.67567885E+03 F= 0.62658110E+03 E0= 0.65527352E+03 EK= 0.52035E+02 SP= -.31E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330608232856E+03 -0.92034E+00 -0.11908E-01 8120 0.241E+01 0.305E-01 RMM: 2 -0.330636871831E+03 -0.28639E-01 -0.10245E-01 4883 0.763E-01 0.172E+00 RMM: 3 -0.330616421147E+03 0.20451E-01 -0.14780E-02 5379 0.282E-01 0.294E-01 RMM: 4 -0.330615813889E+03 0.60726E-03 -0.16971E-03 4876 0.846E-02 0.112E-01 RMM: 5 -0.330615828516E+03 -0.14627E-04 -0.22740E-04 3898 0.373E-02 0.124E-01 RMM: 6 -0.330615719630E+03 0.10889E-03 -0.60050E-05 3311 0.226E-02 0.379E-02 RMM: 7 -0.330615718501E+03 0.11293E-05 -0.19065E-05 2534 0.135E-02 7567 T= 6466. E= 0.67567807E+03 F= 0.62565327E+03 E0= 0.65435585E+03 EK= 0.52657E+02 SP= -.28E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331391582437E+03 -0.77586E+00 -0.12170E-01 7784 0.241E+01 0.193E-01 RMM: 2 -0.331409347231E+03 -0.17765E-01 -0.11183E-01 4819 0.783E-01 0.107E+00 RMM: 3 -0.331401180172E+03 0.81671E-02 -0.13077E-02 5669 0.231E-01 0.177E-01 RMM: 4 -0.331400861128E+03 0.31904E-03 -0.84051E-04 4879 0.611E-02 0.863E-02 RMM: 5 -0.331400820440E+03 0.40688E-04 -0.10973E-04 3818 0.278E-02 0.697E-02 RMM: 6 -0.331400792822E+03 0.27618E-04 -0.25601E-05 2566 0.152E-02 0.391E-02 RMM: 7 -0.331400793565E+03 -0.74303E-06 -0.16173E-05 2506 0.125E-02 7568 T= 6525. E= 0.67567771E+03 F= 0.62486820E+03 E0= 0.65357346E+03 EK= 0.53135E+02 SP= -.25E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332034601935E+03 -0.63381E+00 -0.12500E-01 7760 0.242E+01 0.165E-01 RMM: 2 -0.332048439882E+03 -0.13838E-01 -0.11233E-01 4787 0.787E-01 0.747E-01 RMM: 3 -0.332044322437E+03 0.41174E-02 -0.12948E-02 6006 0.214E-01 0.147E-01 RMM: 4 -0.332043999499E+03 0.32294E-03 -0.60819E-04 4803 0.566E-02 0.892E-02 RMM: 5 -0.332043957117E+03 0.42382E-04 -0.88995E-05 3578 0.279E-02 0.606E-02 RMM: 6 -0.332043936677E+03 0.20439E-04 -0.23844E-05 2553 0.148E-02 0.342E-02 RMM: 7 -0.332043937734E+03 -0.10566E-05 -0.13989E-05 2489 0.117E-02 7569 T= 6566. E= 0.67567743E+03 F= 0.62422505E+03 E0= 0.65292484E+03 EK= 0.53468E+02 SP= -.22E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332542267099E+03 -0.49833E+00 -0.12605E-01 7808 0.242E+01 0.144E-01 RMM: 2 -0.332554995792E+03 -0.12729E-01 -0.11247E-01 4800 0.773E-01 0.612E-01 RMM: 3 -0.332552039165E+03 0.29566E-02 -0.12630E-02 6164 0.205E-01 0.116E-01 RMM: 4 -0.332551788897E+03 0.25027E-03 -0.51883E-04 4636 0.547E-02 0.107E-01 RMM: 5 -0.332551709181E+03 0.79716E-04 -0.77652E-05 3440 0.270E-02 0.537E-02 RMM: 6 -0.332551695889E+03 0.13292E-04 -0.22814E-05 2532 0.142E-02 7570 T= 6590. E= 0.67567718E+03 F= 0.62371729E+03 E0= 0.65240358E+03 EK= 0.53662E+02 SP= -.19E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332920948588E+03 -0.36924E+00 -0.12757E-01 7704 0.242E+01 0.178E-01 RMM: 2 -0.332936974837E+03 -0.16026E-01 -0.11463E-01 4784 0.790E-01 0.923E-01 RMM: 3 -0.332930898349E+03 0.60765E-02 -0.13417E-02 5861 0.225E-01 0.171E-01 RMM: 4 -0.332930540445E+03 0.35790E-03 -0.68714E-04 4906 0.570E-02 0.742E-02 RMM: 5 -0.332930506007E+03 0.34438E-04 -0.84446E-05 3661 0.253E-02 0.657E-02 RMM: 6 -0.332930488562E+03 0.17445E-04 -0.22774E-05 2538 0.144E-02 7571 T= 6597. E= 0.67567695E+03 F= 0.62333850E+03 E0= 0.65200446E+03 EK= 0.53723E+02 SP= -.16E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333176381103E+03 -0.24588E+00 -0.13249E-01 7616 0.242E+01 0.295E-01 RMM: 2 -0.333205808829E+03 -0.29428E-01 -0.12879E-01 4740 0.864E-01 0.163E+00 RMM: 3 -0.333187112923E+03 0.18696E-01 -0.17475E-02 5426 0.297E-01 0.295E-01 RMM: 4 -0.333186460562E+03 0.65236E-03 -0.17107E-03 4975 0.828E-02 0.793E-02 RMM: 5 -0.333186433174E+03 0.27388E-04 -0.20340E-04 4360 0.307E-02 0.786E-02 RMM: 6 -0.333186396204E+03 0.36970E-04 -0.30364E-05 2693 0.164E-02 0.476E-02 RMM: 7 -0.333186410427E+03 -0.14223E-04 -0.29497E-05 2633 0.162E-02 7572 T= 6589. E= 0.67567660E+03 F= 0.62308258E+03 E0= 0.65172260E+03 EK= 0.53656E+02 SP= -.13E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333319378800E+03 -0.13298E+00 -0.13406E-01 7616 0.241E+01 0.272E-01 RMM: 2 -0.333342269669E+03 -0.22891E-01 -0.12879E-01 4729 0.858E-01 0.132E+00 RMM: 3 -0.333330055886E+03 0.12214E-01 -0.16630E-02 5494 0.278E-01 0.257E-01 RMM: 4 -0.333329567855E+03 0.48803E-03 -0.15358E-03 4853 0.822E-02 0.113E-01 RMM: 5 -0.333329587382E+03 -0.19528E-04 -0.22614E-04 3948 0.363E-02 0.127E-01 RMM: 6 -0.333329480174E+03 0.10721E-03 -0.64301E-05 3371 0.228E-02 0.292E-02 RMM: 7 -0.333329481455E+03 -0.12803E-05 -0.15653E-05 2520 0.122E-02 7573 T= 6567. E= 0.67567755E+03 F= 0.62293951E+03 E0= 0.65155131E+03 EK= 0.53476E+02 SP= -.95E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333366276684E+03 -0.36797E-01 -0.13773E-01 7608 0.240E+01 0.219E-01 RMM: 2 -0.333387438211E+03 -0.21162E-01 -0.13963E-01 4713 0.888E-01 0.113E+00 RMM: 3 -0.333378516489E+03 0.89217E-02 -0.17321E-02 5681 0.260E-01 0.208E-01 RMM: 4 -0.333378068436E+03 0.44805E-03 -0.10733E-03 5039 0.679E-02 0.844E-02 RMM: 5 -0.333378021671E+03 0.46765E-04 -0.13697E-04 3976 0.303E-02 0.736E-02 RMM: 6 -0.333377987627E+03 0.34044E-04 -0.29279E-05 2646 0.158E-02 0.449E-02 RMM: 7 -0.333377987633E+03 -0.58244E-08 -0.27231E-05 2590 0.154E-02 7574 T= 6533. E= 0.67567919E+03 F= 0.62289100E+03 E0= 0.65147311E+03 EK= 0.53200E+02 SP= -.62E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333346900188E+03 0.31087E-01 -0.13525E-01 7640 0.239E+01 0.207E-01 RMM: 2 -0.333365612628E+03 -0.18712E-01 -0.13227E-01 4705 0.878E-01 0.103E+00 RMM: 3 -0.333358414995E+03 0.71976E-02 -0.16101E-02 5786 0.249E-01 0.210E-01 RMM: 4 -0.333357950823E+03 0.46417E-03 -0.96095E-04 5015 0.662E-02 0.758E-02 RMM: 5 -0.333357935638E+03 0.15185E-04 -0.13205E-04 3854 0.306E-02 7575 T= 6491. E= 0.67568180E+03 F= 0.62291105E+03 E0= 0.65146595E+03 EK= 0.52858E+02 SP= -.30E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333291077386E+03 0.66873E-01 -0.13210E-01 7680 0.238E+01 0.139E-01 RMM: 2 -0.333305729322E+03 -0.14652E-01 -0.13090E-01 4784 0.852E-01 0.610E-01 RMM: 3 -0.333302950973E+03 0.27783E-02 -0.15387E-02 6177 0.221E-01 0.134E-01 RMM: 4 -0.333302592416E+03 0.35856E-03 -0.53791E-04 4668 0.560E-02 0.919E-02 RMM: 5 -0.333302541282E+03 0.51134E-04 -0.71590E-05 3430 0.263E-02 0.764E-02 RMM: 6 -0.333302529284E+03 0.11998E-04 -0.30777E-05 2583 0.169E-02 7576 T= 6445. E= 0.67568484E+03 F= 0.62296646E+03 E0= 0.65149691E+03 EK= 0.52483E+02 SP= 0.26E-01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333235751191E+03 0.66790E-01 -0.12331E-01 7624 0.236E+01 0.333E-01 RMM: 2 -0.333272042868E+03 -0.36292E-01 -0.13686E-01 4697 0.893E-01 0.191E+00 RMM: 3 -0.333246791860E+03 0.25251E-01 -0.20077E-02 5381 0.327E-01 0.266E-01 RMM: 4 -0.333246352139E+03 0.43972E-03 -0.21430E-03 5331 0.839E-02 0.102E-01 RMM: 5 -0.333246359142E+03 -0.70034E-05 -0.22127E-04 3945 0.369E-02 0.122E-01 RMM: 6 -0.333246263760E+03 0.95382E-04 -0.58512E-05 3312 0.221E-02 0.420E-02 RMM: 7 -0.333246258835E+03 0.49256E-05 -0.16735E-05 2520 0.129E-02 7577 T= 6399. E= 0.67568717E+03 F= 0.62302273E+03 E0= 0.65153409E+03 EK= 0.52111E+02 SP= 0.35E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333203821686E+03 0.42442E-01 -0.12492E-01 7696 0.235E+01 0.379E-01 RMM: 2 -0.333249184425E+03 -0.45363E-01 -0.15524E-01 4830 0.959E-01 0.222E+00 RMM: 3 -0.333215795399E+03 0.33389E-01 -0.22577E-02 5381 0.352E-01 0.322E-01 RMM: 4 -0.333215079757E+03 0.71564E-03 -0.23781E-03 5212 0.937E-02 0.123E-01 RMM: 5 -0.333215068984E+03 0.10773E-04 -0.27743E-04 3913 0.392E-02 0.130E-01 RMM: 6 -0.333214949111E+03 0.11987E-03 -0.75521E-05 3517 0.242E-02 0.420E-02 RMM: 7 -0.333214944262E+03 0.48482E-05 -0.19285E-05 2543 0.127E-02 7578 T= 6357. E= 0.67568819E+03 F= 0.62305405E+03 E0= 0.65155183E+03 EK= 0.51768E+02 SP= 0.67E+00 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333206465644E+03 0.84835E-02 -0.12255E-01 7624 0.233E+01 0.232E-01 RMM: 2 -0.333229848880E+03 -0.23383E-01 -0.13749E-01 4724 0.879E-01 0.128E+00 RMM: 3 -0.333218170437E+03 0.11678E-01 -0.16333E-02 5523 0.266E-01 0.210E-01 RMM: 4 -0.333217780051E+03 0.39039E-03 -0.12512E-03 4975 0.719E-02 0.817E-02 RMM: 5 -0.333217769416E+03 0.10635E-04 -0.16084E-04 3990 0.319E-02 7579 T= 6320. E= 0.67568866E+03 F= 0.62305122E+03 E0= 0.65153987E+03 EK= 0.51467E+02 SP= 0.98E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333241606889E+03 -0.23827E-01 -0.11572E-01 7744 0.232E+01 0.149E-01 RMM: 2 -0.333255041770E+03 -0.13435E-01 -0.10722E-01 4983 0.752E-01 0.728E-01 RMM: 3 -0.333251079821E+03 0.39619E-02 -0.11623E-02 5818 0.202E-01 0.152E-01 RMM: 4 -0.333250810746E+03 0.26908E-03 -0.55548E-04 4662 0.522E-02 0.973E-02 RMM: 5 -0.333250750800E+03 0.59945E-04 -0.73083E-05 3485 0.249E-02 0.696E-02 RMM: 6 -0.333250741712E+03 0.90886E-05 -0.28261E-05 2578 0.158E-02 7580 T= 6288. E= 0.67568910E+03 F= 0.62301825E+03 E0= 0.65150278E+03 EK= 0.51203E+02 SP= 0.13E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333298078250E+03 -0.47327E-01 -0.11696E-01 7808 0.231E+01 0.292E-01 RMM: 2 -0.333327891913E+03 -0.29814E-01 -0.12528E-01 4853 0.826E-01 0.167E+00 RMM: 3 -0.333308221486E+03 0.19670E-01 -0.16086E-02 5421 0.281E-01 0.239E-01 RMM: 4 -0.333307822885E+03 0.39860E-03 -0.16218E-03 4887 0.804E-02 0.108E-01 RMM: 5 -0.333307799669E+03 0.23217E-04 -0.20556E-04 4083 0.326E-02 0.996E-02 RMM: 6 -0.333307737227E+03 0.62441E-04 -0.41785E-05 3057 0.191E-02 0.362E-02 RMM: 7 -0.333307738296E+03 -0.10686E-05 -0.15860E-05 2510 0.126E-02 7581 T= 6259. E= 0.67568953E+03 F= 0.62296125E+03 E0= 0.65144572E+03 EK= 0.50974E+02 SP= 0.16E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333379591233E+03 -0.71854E-01 -0.11214E-01 7992 0.230E+01 0.305E-01 RMM: 2 -0.333411266062E+03 -0.31675E-01 -0.11861E-01 5031 0.811E-01 0.179E+00 RMM: 3 -0.333389050315E+03 0.22216E-01 -0.15562E-02 5400 0.285E-01 0.289E-01 RMM: 4 -0.333388474667E+03 0.57565E-03 -0.17624E-03 4902 0.868E-02 0.120E-01 RMM: 5 -0.333388418324E+03 0.56343E-04 -0.21890E-04 3900 0.364E-02 0.104E-01 RMM: 6 -0.333388344259E+03 0.74065E-04 -0.47209E-05 3132 0.202E-02 0.457E-02 RMM: 7 -0.333388342708E+03 0.15512E-05 -0.24624E-05 2551 0.148E-02 7582 T= 6235. E= 0.67569066E+03 F= 0.62288065E+03 E0= 0.65136792E+03 EK= 0.50778E+02 SP= 0.19E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333494013988E+03 -0.10567E+00 -0.11153E-01 7968 0.229E+01 0.199E-01 RMM: 2 -0.333511350999E+03 -0.17337E-01 -0.10039E-01 5078 0.713E-01 0.112E+00 RMM: 3 -0.333502361155E+03 0.89898E-02 -0.10756E-02 5514 0.219E-01 0.194E-01 RMM: 4 -0.333502063748E+03 0.29741E-03 -0.84223E-04 4904 0.588E-02 0.805E-02 RMM: 5 -0.333502027756E+03 0.35992E-04 -0.95173E-05 3720 0.258E-02 0.687E-02 RMM: 6 -0.333502004223E+03 0.23534E-04 -0.21742E-05 2554 0.139E-02 0.475E-02 RMM: 7 -0.333502009404E+03 -0.51815E-05 -0.21144E-05 2575 0.138E-02 7583 T= 6217. E= 0.67569190E+03 F= 0.62276698E+03 E0= 0.65126067E+03 EK= 0.50626E+02 SP= 0.21E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333656097693E+03 -0.15409E+00 -0.11200E-01 7984 0.229E+01 0.192E-01 RMM: 2 -0.333671302389E+03 -0.15205E-01 -0.10419E-01 4967 0.731E-01 0.942E-01 RMM: 3 -0.333664818289E+03 0.64841E-02 -0.11288E-02 5815 0.211E-01 0.157E-01 RMM: 4 -0.333664595179E+03 0.22311E-03 -0.73825E-04 4710 0.607E-02 0.117E-01 RMM: 5 -0.333664523034E+03 0.72145E-04 -0.10996E-04 3684 0.276E-02 0.736E-02 RMM: 6 -0.333664490107E+03 0.32928E-04 -0.26003E-05 2598 0.157E-02 0.343E-02 RMM: 7 -0.333664490225E+03 -0.11820E-06 -0.16612E-05 2505 0.126E-02 7584 T= 6206. E= 0.67569312E+03 F= 0.62260450E+03 E0= 0.65110729E+03 EK= 0.50534E+02 SP= 0.24E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333884834703E+03 -0.22034E+00 -0.12048E-01 8048 0.229E+01 0.134E-01 RMM: 2 -0.333897692375E+03 -0.12858E-01 -0.11886E-01 4977 0.765E-01 0.530E-01 RMM: 3 -0.333895073373E+03 0.26190E-02 -0.11914E-02 6271 0.197E-01 0.109E-01 RMM: 4 -0.333894831536E+03 0.24184E-03 -0.45419E-04 4523 0.507E-02 0.987E-02 RMM: 5 -0.333894761099E+03 0.70437E-04 -0.65597E-05 3330 0.249E-02 0.554E-02 RMM: 6 -0.333894750930E+03 0.10170E-04 -0.21002E-05 2524 0.135E-02 7585 T= 6204. E= 0.67569377E+03 F= 0.62237424E+03 E0= 0.65088874E+03 EK= 0.50521E+02 SP= 0.27E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334198735585E+03 -0.30397E+00 -0.11879E-01 8152 0.229E+01 0.220E-01 RMM: 2 -0.334218079940E+03 -0.19344E-01 -0.10948E-01 4924 0.755E-01 0.119E+00 RMM: 3 -0.334207860152E+03 0.10220E-01 -0.12528E-02 5574 0.237E-01 0.208E-01 RMM: 4 -0.334207492419E+03 0.36773E-03 -0.94278E-04 4930 0.622E-02 0.733E-02 RMM: 5 -0.334207464649E+03 0.27770E-04 -0.98078E-05 3768 0.262E-02 0.713E-02 RMM: 6 -0.334207440575E+03 0.24074E-04 -0.22713E-05 2541 0.142E-02 0.496E-02 RMM: 7 -0.334207449695E+03 -0.91204E-05 -0.27895E-05 2672 0.158E-02 7586 T= 6214. E= 0.67569364E+03 F= 0.62206154E+03 E0= 0.65059051E+03 EK= 0.50599E+02 SP= 0.29E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334601513925E+03 -0.39407E+00 -0.11472E-01 7952 0.230E+01 0.229E-01 RMM: 2 -0.334619083484E+03 -0.17570E-01 -0.97734E-02 5061 0.711E-01 0.117E+00 RMM: 3 -0.334609229217E+03 0.98543E-02 -0.10152E-02 5571 0.219E-01 0.230E-01 RMM: 4 -0.334608876988E+03 0.35223E-03 -0.10457E-03 4674 0.721E-02 0.120E-01 RMM: 5 -0.334608848792E+03 0.28196E-04 -0.16727E-04 3871 0.342E-02 0.106E-01 RMM: 6 -0.334608771109E+03 0.77683E-04 -0.44388E-05 3124 0.205E-02 0.310E-02 RMM: 7 -0.334608772890E+03 -0.17809E-05 -0.17247E-05 2504 0.130E-02 7587 T= 6235. E= 0.67569317E+03 F= 0.62166022E+03 E0= 0.65020539E+03 EK= 0.50776E+02 SP= 0.32E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335085630331E+03 -0.47686E+00 -0.11757E-01 7704 0.232E+01 0.206E-01 RMM: 2 -0.335101732171E+03 -0.16102E-01 -0.10427E-01 4997 0.743E-01 0.101E+00 RMM: 3 -0.335094311825E+03 0.74203E-02 -0.11621E-02 5716 0.222E-01 0.176E-01 RMM: 4 -0.335094030426E+03 0.28140E-03 -0.76491E-04 4834 0.584E-02 0.922E-02 RMM: 5 -0.335093976520E+03 0.53906E-04 -0.95901E-05 3728 0.259E-02 0.722E-02 RMM: 6 -0.335093947691E+03 0.28829E-04 -0.26521E-05 2636 0.158E-02 0.443E-02 RMM: 7 -0.335093947881E+03 -0.19023E-06 -0.21994E-05 2553 0.136E-02 7588 T= 6268. E= 0.67569152E+03 F= 0.62117504E+03 E0= 0.64973661E+03 EK= 0.51044E+02 SP= 0.34E+01 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335636224611E+03 -0.54228E+00 -0.11661E-01 7808 0.233E+01 0.181E-01 RMM: 2 -0.335649056086E+03 -0.12831E-01 -0.95734E-02 4961 0.713E-01 0.815E-01 RMM: 3 -0.335644292962E+03 0.47631E-02 -0.10497E-02 5897 0.203E-01 0.170E-01 RMM: 4 -0.335643999811E+03 0.29315E-03 -0.60139E-04 4745 0.543E-02 0.897E-02 RMM: 5 -0.335643956567E+03 0.43245E-04 -0.84000E-05 3580 0.254E-02 0.646E-02 RMM: 6 -0.335643934449E+03 0.22118E-04 -0.24026E-05 2573 0.152E-02 0.375E-02 RMM: 7 -0.335643935654E+03 -0.12050E-05 -0.18585E-05 2509 0.134E-02 7589 T= 6310. E= 0.67568924E+03 F= 0.62062505E+03 E0= 0.64920269E+03 EK= 0.51384E+02 SP= 0.36E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336219264503E+03 -0.57533E+00 -0.12167E-01 7720 0.235E+01 0.172E-01 RMM: 2 -0.336233193020E+03 -0.13929E-01 -0.11560E-01 4839 0.798E-01 0.729E-01 RMM: 3 -0.336229355712E+03 0.38373E-02 -0.13499E-02 6029 0.214E-01 0.144E-01 RMM: 4 -0.336229044888E+03 0.31082E-03 -0.63533E-04 4715 0.600E-02 0.113E-01 RMM: 5 -0.336228963005E+03 0.81883E-04 -0.97491E-05 3618 0.282E-02 0.658E-02 RMM: 6 -0.336228940379E+03 0.22626E-04 -0.26312E-05 2598 0.157E-02 0.395E-02 RMM: 7 -0.336228936422E+03 0.39567E-05 -0.20835E-05 2510 0.141E-02 7590 T= 6357. E= 0.67568655E+03 F= 0.62004005E+03 E0= 0.64863214E+03 EK= 0.51764E+02 SP= 0.38E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336799548045E+03 -0.57061E+00 -0.12162E-01 7520 0.237E+01 0.171E-01 RMM: 2 -0.336813821756E+03 -0.14274E-01 -0.11605E-01 4805 0.804E-01 0.760E-01 RMM: 3 -0.336809740539E+03 0.40812E-02 -0.13583E-02 5980 0.215E-01 0.158E-01 RMM: 4 -0.336809385552E+03 0.35499E-03 -0.62303E-04 4791 0.586E-02 0.940E-02 RMM: 5 -0.336809333359E+03 0.52193E-04 -0.89005E-05 3613 0.268E-02 0.645E-02 RMM: 6 -0.336809314328E+03 0.19030E-04 -0.24758E-05 2558 0.152E-02 7591 T= 6403. E= 0.67568392E+03 F= 0.61945967E+03 E0= 0.64806312E+03 EK= 0.52143E+02 SP= 0.40E+01 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337331766989E+03 -0.52243E+00 -0.12320E-01 7696 0.238E+01 0.213E-01 RMM: 2 -0.337351449024E+03 -0.19682E-01 -0.10746E-01 4850 0.771E-01 0.122E+00 RMM: 3 -0.337340854528E+03 0.10594E-01 -0.12390E-02 5492 0.236E-01 0.207E-01 RMM: 4 -0.337340518237E+03 0.33629E-03 -0.97464E-04 4775 0.659E-02 0.839E-02 RMM: 5 -0.337340483055E+03 0.35182E-04 -0.12089E-04 4053 0.280E-02 0.687E-02 RMM: 6 -0.337340461408E+03 0.21646E-04 -0.23321E-05 2559 0.142E-02 0.529E-02 RMM: 7 -0.337340466279E+03 -0.48705E-05 -0.24572E-05 2541 0.156E-02 7592 T= 6444. E= 0.67568129E+03 F= 0.61892852E+03 E0= 0.64754012E+03 EK= 0.52476E+02 SP= 0.42E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337767786912E+03 -0.42733E+00 -0.12429E-01 7616 0.239E+01 0.221E-01 RMM: 2 -0.337783286415E+03 -0.15500E-01 -0.88488E-02 4841 0.725E-01 0.108E+00 RMM: 3 -0.337775122855E+03 0.81636E-02 -0.11007E-02 5503 0.224E-01 0.211E-01 RMM: 4 -0.337774828144E+03 0.29471E-03 -0.10239E-03 4699 0.714E-02 0.114E-01 RMM: 5 -0.337774774764E+03 0.53381E-04 -0.15580E-04 3858 0.324E-02 0.818E-02 RMM: 6 -0.337774731565E+03 0.43199E-04 -0.32912E-05 2896 0.177E-02 0.265E-02 RMM: 7 -0.337774734243E+03 -0.26774E-05 -0.13965E-05 2489 0.118E-02 7593 T= 6473. E= 0.67567854E+03 F= 0.61849426E+03 E0= 0.64711097E+03 EK= 0.52712E+02 SP= 0.44E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338053651095E+03 -0.27892E+00 -0.12518E-01 7688 0.239E+01 0.173E-01 RMM: 2 -0.338067938704E+03 -0.14288E-01 -0.10359E-01 4770 0.770E-01 0.873E-01 RMM: 3 -0.338062682797E+03 0.52559E-02 -0.12215E-02 5831 0.212E-01 0.157E-01 RMM: 4 -0.338062390154E+03 0.29264E-03 -0.63684E-04 4746 0.577E-02 0.929E-02 RMM: 5 -0.338062332766E+03 0.57388E-04 -0.93432E-05 3655 0.277E-02 0.592E-02 RMM: 6 -0.338062314838E+03 0.17929E-04 -0.25125E-05 2551 0.149E-02 7594 T= 6484. E= 0.67567619E+03 F= 0.61820667E+03 E0= 0.64682496E+03 EK= 0.52803E+02 SP= 0.46E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338147465360E+03 -0.85133E-01 -0.12250E-01 7576 0.239E+01 0.172E-01 RMM: 2 -0.338160794015E+03 -0.13329E-01 -0.82938E-02 4903 0.679E-01 0.938E-01 RMM: 3 -0.338154370368E+03 0.64236E-02 -0.93420E-03 5500 0.203E-01 0.165E-01 RMM: 4 -0.338154146944E+03 0.22342E-03 -0.65870E-04 4847 0.534E-02 0.707E-02 RMM: 5 -0.338154115256E+03 0.31688E-04 -0.73716E-05 3506 0.252E-02 0.577E-02 RMM: 6 -0.338154103565E+03 0.11691E-04 -0.22436E-05 2536 0.142E-02 7595 T= 6471. E= 0.67567437E+03 F= 0.61811489E+03 E0= 0.64673306E+03 EK= 0.52699E+02 SP= 0.48E+01 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337998897341E+03 0.15522E+00 -0.11949E-01 7728 0.239E+01 0.294E-01 RMM: 2 -0.338027928946E+03 -0.29032E-01 -0.89464E-02 4794 0.729E-01 0.178E+00 RMM: 3 -0.338005777651E+03 0.22151E-01 -0.13319E-02 5376 0.274E-01 0.258E-01 RMM: 4 -0.338005289004E+03 0.48865E-03 -0.14851E-03 4743 0.791E-02 0.945E-02 RMM: 5 -0.338005269678E+03 0.19326E-04 -0.16931E-04 3930 0.322E-02 7596 T= 6429. E= 0.67567435E+03 F= 0.61826372E+03 E0= 0.64688005E+03 EK= 0.52358E+02 SP= 0.50E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337574894975E+03 0.43039E+00 -0.11889E-01 7984 0.237E+01 0.209E-01 RMM: 2 -0.337594369941E+03 -0.19475E-01 -0.84230E-02 4972 0.664E-01 0.131E+00 RMM: 3 -0.337581854453E+03 0.12515E-01 -0.10317E-02 5394 0.231E-01 0.228E-01 RMM: 4 -0.337581506189E+03 0.34826E-03 -0.10203E-03 4898 0.633E-02 0.878E-02 RMM: 5 -0.337581459680E+03 0.46509E-04 -0.96731E-05 3783 0.275E-02 0.716E-02 RMM: 6 -0.337581439511E+03 0.20168E-04 -0.23437E-05 2539 0.141E-02 0.589E-02 RMM: 7 -0.337581457517E+03 -0.18006E-04 -0.46850E-05 3102 0.189E-02 7597 T= 6355. E= 0.67567543E+03 F= 0.61868753E+03 E0= 0.64730324E+03 EK= 0.51747E+02 SP= 0.52E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336860921725E+03 0.72052E+00 -0.12150E-01 7656 0.236E+01 0.182E-01 RMM: 2 -0.336873219000E+03 -0.12297E-01 -0.96325E-02 4732 0.719E-01 0.749E-01 RMM: 3 -0.336868952103E+03 0.42669E-02 -0.11018E-02 5780 0.205E-01 0.148E-01 RMM: 4 -0.336868863395E+03 0.88709E-04 -0.75472E-04 4711 0.641E-02 0.169E-01 RMM: 5 -0.336868702517E+03 0.16088E-03 -0.14857E-04 3836 0.337E-02 0.777E-02 RMM: 6 -0.336868664692E+03 0.37825E-04 -0.36259E-05 2971 0.185E-02 0.266E-02 RMM: 7 -0.336868672976E+03 -0.82835E-05 -0.15652E-05 2508 0.129E-02 7598 T= 6245. E= 0.67567755E+03 F= 0.61940032E+03 E0= 0.64801548E+03 EK= 0.50857E+02 SP= 0.54E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335872103211E+03 0.99656E+00 -0.12245E-01 8200 0.234E+01 0.140E-01 RMM: 2 -0.335884658335E+03 -0.12555E-01 -0.10145E-01 4971 0.715E-01 0.695E-01 RMM: 3 -0.335880739967E+03 0.39184E-02 -0.10504E-02 5960 0.192E-01 0.122E-01 RMM: 4 -0.335880518613E+03 0.22135E-03 -0.47821E-04 4581 0.503E-02 0.867E-02 RMM: 5 -0.335880461055E+03 0.57558E-04 -0.61981E-05 3318 0.240E-02 0.549E-02 RMM: 6 -0.335880452413E+03 0.86423E-05 -0.19313E-05 2513 0.128E-02 7599 T= 6104. E= 0.67568176E+03 F= 0.62038854E+03 E0= 0.64900369E+03 EK= 0.49706E+02 SP= 0.55E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334648763213E+03 0.12317E+01 -0.11915E-01 7824 0.231E+01 0.171E-01 RMM: 2 -0.334664470819E+03 -0.15708E-01 -0.11408E-01 4796 0.775E-01 0.885E-01 RMM: 3 -0.334658627687E+03 0.58431E-02 -0.12982E-02 5841 0.216E-01 0.157E-01 RMM: 4 -0.334658314544E+03 0.31314E-03 -0.65692E-04 5023 0.548E-02 0.821E-02 RMM: 5 -0.334658275252E+03 0.39292E-04 -0.74472E-05 3438 0.252E-02 0.659E-02 RMM: 6 -0.334658261244E+03 0.14008E-04 -0.28780E-05 2625 0.162E-02 7600 T= 5936. E= 0.67568725E+03 F= 0.62161073E+03 E0= 0.65022921E+03 EK= 0.48341E+02 SP= 0.57E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333263086461E+03 0.13952E+01 -0.10668E-01 7976 0.227E+01 0.374E-01 RMM: 2 -0.333304302615E+03 -0.41216E-01 -0.97131E-02 4860 0.749E-01 0.221E+00 RMM: 3 -0.333269930123E+03 0.34372E-01 -0.17617E-02 5371 0.325E-01 0.338E-01 RMM: 4 -0.333269107967E+03 0.82216E-03 -0.20896E-03 5077 0.923E-02 0.865E-02 RMM: 5 -0.333269114640E+03 -0.66737E-05 -0.21906E-04 3953 0.327E-02 0.109E-01 RMM: 6 -0.333269036719E+03 0.77921E-04 -0.41105E-05 3047 0.193E-02 0.403E-02 RMM: 7 -0.333269038161E+03 -0.14418E-05 -0.18044E-05 2517 0.129E-02 7601 T= 5751. E= 0.67569415E+03 F= 0.62299995E+03 E0= 0.65162398E+03 EK= 0.46834E+02 SP= 0.58E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331793852292E+03 0.14752E+01 -0.10535E-01 7880 0.224E+01 0.318E-01 RMM: 2 -0.331829363063E+03 -0.35511E-01 -0.11235E-01 5034 0.747E-01 0.193E+00 RMM: 3 -0.331802341653E+03 0.27021E-01 -0.15809E-02 5374 0.298E-01 0.305E-01 RMM: 4 -0.331801700656E+03 0.64100E-03 -0.18623E-03 4957 0.867E-02 0.107E-01 RMM: 5 -0.331801708820E+03 -0.81643E-05 -0.21328E-04 3907 0.345E-02 0.126E-01 RMM: 6 -0.331801599709E+03 0.10911E-03 -0.56808E-05 3289 0.224E-02 0.358E-02 RMM: 7 -0.331801600472E+03 -0.76328E-06 -0.17628E-05 2531 0.126E-02 7602 T= 5560. E= 0.67570194E+03 F= 0.62446739E+03 E0= 0.65309996E+03 EK= 0.45278E+02 SP= 0.59E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330350152037E+03 0.14514E+01 -0.97014E-02 8144 0.220E+01 0.258E-01 RMM: 2 -0.330374215587E+03 -0.24064E-01 -0.86826E-02 5159 0.664E-01 0.158E+00 RMM: 3 -0.330356719306E+03 0.17496E-01 -0.10604E-02 5425 0.239E-01 0.229E-01 RMM: 4 -0.330356346558E+03 0.37275E-03 -0.11420E-03 4848 0.667E-02 0.882E-02 RMM: 5 -0.330356314490E+03 0.32068E-04 -0.12899E-04 3802 0.293E-02 0.835E-02 RMM: 6 -0.330356267210E+03 0.47280E-04 -0.29244E-05 2777 0.168E-02 0.390E-02 RMM: 7 -0.330356267503E+03 -0.29301E-06 -0.16616E-05 2501 0.128E-02 7603 T= 5376. E= 0.67570973E+03 F= 0.62591272E+03 E0= 0.65455738E+03 EK= 0.43778E+02 SP= 0.60E+01 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329030144712E+03 0.13261E+01 -0.94804E-02 8048 0.216E+01 0.187E-01 RMM: 2 -0.329043841115E+03 -0.13696E-01 -0.85780E-02 5119 0.664E-01 0.975E-01 RMM: 3 -0.329037137641E+03 0.67035E-02 -0.88780E-03 5781 0.192E-01 0.174E-01 RMM: 4 -0.329036878995E+03 0.25865E-03 -0.65819E-04 4678 0.557E-02 0.889E-02 RMM: 5 -0.329036836499E+03 0.42497E-04 -0.90908E-05 3665 0.240E-02 0.738E-02 RMM: 6 -0.329036804287E+03 0.32212E-04 -0.22083E-05 2561 0.147E-02 0.385E-02 RMM: 7 -0.329036801383E+03 0.29034E-05 -0.14714E-05 2493 0.118E-02 7604 T= 5212. E= 0.67571701E+03 F= 0.62723219E+03 E0= 0.65589191E+03 EK= 0.42440E+02 SP= 0.60E+01 SK= 0.85E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.327936733131E+03 0.11001E+01 -0.94993E-02 8160 0.213E+01 0.135E-01 RMM: 2 -0.327946876707E+03 -0.10144E-01 -0.86586E-02 5200 0.646E-01 0.593E-01 RMM: 3 -0.327943993333E+03 0.28834E-02 -0.79241E-03 6125 0.164E-01 0.131E-01 RMM: 4 -0.327943784365E+03 0.20897E-03 -0.38847E-04 4297 0.461E-02 0.912E-02 RMM: 5 -0.327943724870E+03 0.59495E-04 -0.58542E-05 3293 0.224E-02 0.595E-02 RMM: 6 -0.327943711156E+03 0.13714E-04 -0.18469E-05 2516 0.129E-02 7605 T= 5080. E= 0.67572369E+03 F= 0.62832528E+03 E0= 0.65700385E+03 EK= 0.41368E+02 SP= 0.60E+01 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327160518069E+03 0.78321E+00 -0.92113E-02 8216 0.211E+01 0.241E-01 RMM: 2 -0.327180850309E+03 -0.20332E-01 -0.88531E-02 5132 0.679E-01 0.138E+00 RMM: 3 -0.327167536473E+03 0.13314E-01 -0.10469E-02 5469 0.228E-01 0.219E-01 RMM: 4 -0.327167189630E+03 0.34684E-03 -0.10415E-03 5041 0.611E-02 0.828E-02 RMM: 5 -0.327167144048E+03 0.45582E-04 -0.90649E-05 3713 0.253E-02 0.722E-02 RMM: 6 -0.327167124042E+03 0.20006E-04 -0.21543E-05 2553 0.139E-02 0.615E-02 RMM: 7 -0.327167133602E+03 -0.95605E-05 -0.32342E-05 2759 0.167E-02 7606 T= 4992. E= 0.67572873E+03 F= 0.62910186E+03 E0= 0.65780176E+03 EK= 0.40652E+02 SP= 0.60E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326771098842E+03 0.39603E+00 -0.86345E-02 8272 0.209E+01 0.240E-01 RMM: 2 -0.326788290046E+03 -0.17191E-01 -0.79852E-02 5069 0.651E-01 0.125E+00 RMM: 3 -0.326777387258E+03 0.10903E-01 -0.96274E-03 5431 0.219E-01 0.245E-01 RMM: 4 -0.326777008227E+03 0.37903E-03 -0.11013E-03 4698 0.703E-02 0.112E-01 RMM: 5 -0.326777014572E+03 -0.63445E-05 -0.17352E-04 3869 0.330E-02 7607 T= 4957. E= 0.67573152E+03 F= 0.62949197E+03 E0= 0.65821486E+03 EK= 0.40364E+02 SP= 0.58E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326800004788E+03 -0.22997E-01 -0.87633E-02 8088 0.208E+01 0.192E-01 RMM: 2 -0.326815121549E+03 -0.15117E-01 -0.88716E-02 5072 0.686E-01 0.104E+00 RMM: 3 -0.326807580701E+03 0.75408E-02 -0.10263E-02 5635 0.204E-01 0.207E-01 RMM: 4 -0.326807203908E+03 0.37679E-03 -0.76217E-04 4872 0.561E-02 0.822E-02 RMM: 5 -0.326807163831E+03 0.40076E-04 -0.85617E-05 3697 0.236E-02 0.719E-02 RMM: 6 -0.326807143905E+03 0.19927E-04 -0.19402E-05 2530 0.131E-02 7608 T= 4978. E= 0.67573067E+03 F= 0.62946185E+03 E0= 0.65820989E+03 EK= 0.40538E+02 SP= 0.56E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327231816054E+03 -0.42465E+00 -0.87337E-02 7992 0.209E+01 0.239E-01 RMM: 2 -0.327253613169E+03 -0.21797E-01 -0.80565E-02 4991 0.643E-01 0.150E+00 RMM: 3 -0.327238154810E+03 0.15458E-01 -0.10614E-02 5419 0.229E-01 0.195E-01 RMM: 4 -0.327237875384E+03 0.27943E-03 -0.10552E-03 5160 0.586E-02 0.772E-02 RMM: 5 -0.327237844697E+03 0.30688E-04 -0.96276E-05 3706 0.255E-02 0.801E-02 RMM: 6 -0.327237810534E+03 0.34163E-04 -0.30050E-05 2722 0.164E-02 0.521E-02 RMM: 7 -0.327237842284E+03 -0.31750E-04 -0.50392E-05 3229 0.199E-02 0.884E-02 RMM: 8 -0.327237798319E+03 0.43965E-04 -0.51618E-05 3135 0.194E-02 0.427E-02 RMM: 9 -0.327237787751E+03 0.10568E-04 -0.14160E-05 2488 0.112E-02 7609 T= 5054. E= 0.67572504E+03 F= 0.62903120E+03 E0= 0.65780420E+03 EK= 0.41155E+02 SP= 0.54E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327983945241E+03 -0.74615E+00 -0.84399E-02 7864 0.212E+01 0.313E-01 RMM: 2 -0.328011320351E+03 -0.27375E-01 -0.86484E-02 5027 0.692E-01 0.177E+00 RMM: 3 -0.327990047763E+03 0.21273E-01 -0.12210E-02 5412 0.254E-01 0.219E-01 RMM: 4 -0.327989877824E+03 0.16994E-03 -0.14942E-03 4743 0.818E-02 0.189E-01 RMM: 5 -0.327989839657E+03 0.38166E-04 -0.27826E-04 3895 0.406E-02 0.174E-01 RMM: 6 -0.327989637641E+03 0.20202E-03 -0.11075E-04 3755 0.306E-02 0.424E-02 RMM: 7 -0.327989641044E+03 -0.34029E-05 -0.26828E-05 2692 0.152E-02 7610 T= 5174. E= 0.67571622E+03 F= 0.62827935E+03 E0= 0.65707786E+03 EK= 0.42136E+02 SP= 0.51E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328931869669E+03 -0.94223E+00 -0.83695E-02 8288 0.216E+01 0.201E-01 RMM: 2 -0.328946401625E+03 -0.14532E-01 -0.70013E-02 5181 0.603E-01 0.113E+00 RMM: 3 -0.328937425547E+03 0.89761E-02 -0.81842E-03 5481 0.197E-01 0.188E-01 RMM: 4 -0.328937169752E+03 0.25579E-03 -0.79160E-04 4924 0.547E-02 0.753E-02 RMM: 5 -0.328937137461E+03 0.32290E-04 -0.82292E-05 3655 0.242E-02 0.706E-02 RMM: 6 -0.328937108023E+03 0.29438E-04 -0.20232E-05 2546 0.135E-02 0.409E-02 RMM: 7 -0.328937105544E+03 0.24791E-05 -0.22203E-05 2570 0.140E-02 7611 T= 5324. E= 0.67570627E+03 F= 0.62733188E+03 E0= 0.65615553E+03 EK= 0.43360E+02 SP= 0.47E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329931942215E+03 -0.99483E+00 -0.94235E-02 8416 0.220E+01 0.157E-01 RMM: 2 -0.329943769159E+03 -0.11827E-01 -0.83779E-02 5199 0.639E-01 0.804E-01 RMM: 3 -0.329938959302E+03 0.48099E-02 -0.84003E-03 5736 0.175E-01 0.136E-01 RMM: 4 -0.329938770408E+03 0.18889E-03 -0.54749E-04 4430 0.508E-02 0.979E-02 RMM: 5 -0.329938712293E+03 0.58115E-04 -0.75971E-05 3532 0.242E-02 0.619E-02 RMM: 6 -0.329938695290E+03 0.17003E-04 -0.19431E-05 2526 0.132E-02 7612 T= 5487. E= 0.67569724E+03 F= 0.62633029E+03 E0= 0.65517870E+03 EK= 0.44684E+02 SP= 0.43E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330861121727E+03 -0.92241E+00 -0.10341E-01 8352 0.223E+01 0.204E-01 RMM: 2 -0.330877799351E+03 -0.16678E-01 -0.98494E-02 5086 0.695E-01 0.110E+00 RMM: 3 -0.330869247762E+03 0.85516E-02 -0.10816E-02 5593 0.214E-01 0.186E-01 RMM: 4 -0.330868962237E+03 0.28553E-03 -0.89695E-04 5216 0.563E-02 0.942E-02 RMM: 5 -0.330868903539E+03 0.58698E-04 -0.73527E-05 3565 0.235E-02 0.755E-02 RMM: 6 -0.330868889466E+03 0.14074E-04 -0.18695E-05 2525 0.127E-02 7613 T= 5647. E= 0.67569074E+03 F= 0.62540010E+03 E0= 0.65427240E+03 EK= 0.45983E+02 SP= 0.39E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331632819382E+03 -0.76392E+00 -0.10452E-01 8424 0.227E+01 0.296E-01 RMM: 2 -0.331660375794E+03 -0.27556E-01 -0.90885E-02 5177 0.681E-01 0.173E+00 RMM: 3 -0.331639856594E+03 0.20519E-01 -0.13139E-02 5387 0.268E-01 0.314E-01 RMM: 4 -0.331639156959E+03 0.69963E-03 -0.15269E-03 4785 0.781E-02 0.968E-02 RMM: 5 -0.331639114365E+03 0.42594E-04 -0.16182E-04 4104 0.289E-02 0.862E-02 RMM: 6 -0.331639084016E+03 0.30349E-04 -0.22098E-05 2560 0.141E-02 0.667E-02 RMM: 7 -0.331639096996E+03 -0.12980E-04 -0.28623E-05 2700 0.164E-02 7614 T= 5792. E= 0.67568704E+03 F= 0.62462989E+03 E0= 0.65352549E+03 EK= 0.47163E+02 SP= 0.34E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332197114525E+03 -0.55803E+00 -0.11011E-01 8272 0.229E+01 0.322E-01 RMM: 2 -0.332229421076E+03 -0.32307E-01 -0.10846E-01 4928 0.739E-01 0.187E+00 RMM: 3 -0.332205458716E+03 0.23962E-01 -0.15702E-02 5397 0.291E-01 0.315E-01 RMM: 4 -0.332204842953E+03 0.61576E-03 -0.19292E-03 4900 0.914E-02 0.150E-01 RMM: 5 -0.332204870102E+03 -0.27148E-04 -0.30645E-04 3896 0.433E-02 0.165E-01 RMM: 6 -0.332204685263E+03 0.18484E-03 -0.10571E-04 3746 0.294E-02 0.383E-02 RMM: 7 -0.332204692155E+03 -0.68924E-05 -0.26376E-05 2689 0.152E-02 7615 T= 5916. E= 0.67568609E+03 F= 0.62406430E+03 E0= 0.65298046E+03 EK= 0.48175E+02 SP= 0.29E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332550987278E+03 -0.34630E+00 -0.11020E-01 8352 0.230E+01 0.235E-01 RMM: 2 -0.332572287040E+03 -0.21300E-01 -0.10206E-01 5062 0.700E-01 0.137E+00 RMM: 3 -0.332558966265E+03 0.13321E-01 -0.11290E-02 5426 0.236E-01 0.208E-01 RMM: 4 -0.332558676667E+03 0.28960E-03 -0.11422E-03 5077 0.639E-02 0.914E-02 RMM: 5 -0.332558611955E+03 0.64711E-04 -0.10927E-04 3758 0.273E-02 0.774E-02 RMM: 6 -0.332558578173E+03 0.33782E-04 -0.26320E-05 2614 0.156E-02 0.493E-02 RMM: 7 -0.332558577479E+03 0.69349E-06 -0.20112E-05 2531 0.136E-02 7616 T= 6018. E= 0.67568706E+03 F= 0.62371041E+03 E0= 0.65264257E+03 EK= 0.49007E+02 SP= 0.24E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332710517022E+03 -0.15194E+00 -0.12032E-01 8304 0.231E+01 0.162E-01 RMM: 2 -0.332724505636E+03 -0.13989E-01 -0.10669E-01 4943 0.732E-01 0.805E-01 RMM: 3 -0.332719596553E+03 0.49091E-02 -0.11239E-02 5996 0.201E-01 0.156E-01 RMM: 4 -0.332719299286E+03 0.29727E-03 -0.59950E-04 4690 0.548E-02 0.866E-02 RMM: 5 -0.332719263101E+03 0.36186E-04 -0.85699E-05 3604 0.257E-02 0.636E-02 RMM: 6 -0.332719240718E+03 0.22383E-04 -0.21844E-05 2544 0.141E-02 0.364E-02 RMM: 7 -0.332719242385E+03 -0.16663E-05 -0.16070E-05 2494 0.126E-02 7617 T= 6100. E= 0.67568889E+03 F= 0.62354975E+03 E0= 0.65249322E+03 EK= 0.49671E+02 SP= 0.19E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332711218643E+03 0.80221E-02 -0.12809E-01 8112 0.231E+01 0.166E-01 RMM: 2 -0.332726378897E+03 -0.15160E-01 -0.12103E-01 4932 0.779E-01 0.788E-01 RMM: 3 -0.332721563510E+03 0.48154E-02 -0.12955E-02 6017 0.206E-01 0.119E-01 RMM: 4 -0.332721322027E+03 0.24148E-03 -0.63236E-04 4690 0.582E-02 0.121E-01 RMM: 5 -0.332721229588E+03 0.92438E-04 -0.10153E-04 3634 0.280E-02 0.596E-02 RMM: 6 -0.332721210480E+03 0.19108E-04 -0.24725E-05 2569 0.150E-02 7618 T= 6164. E= 0.67569148E+03 F= 0.62354778E+03 E0= 0.65249616E+03 EK= 0.50198E+02 SP= 0.13E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332596684714E+03 0.12454E+00 -0.12506E-01 8080 0.232E+01 0.185E-01 RMM: 2 -0.332613277181E+03 -0.16592E-01 -0.11209E-01 4953 0.755E-01 0.979E-01 RMM: 3 -0.332606183008E+03 0.70942E-02 -0.12283E-02 5790 0.215E-01 0.175E-01 RMM: 4 -0.332605831439E+03 0.35157E-03 -0.71202E-04 4826 0.572E-02 0.830E-02 RMM: 5 -0.332605795380E+03 0.36059E-04 -0.88826E-05 3757 0.252E-02 0.671E-02 RMM: 6 -0.332605775856E+03 0.19523E-04 -0.22714E-05 2551 0.142E-02 7619 T= 6217. E= 0.67569437E+03 F= 0.62366321E+03 E0= 0.65260999E+03 EK= 0.50625E+02 SP= 0.75E+00 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332406813974E+03 0.19898E+00 -0.12082E-01 8048 0.232E+01 0.323E-01 RMM: 2 -0.332438135679E+03 -0.31322E-01 -0.10378E-01 4882 0.770E-01 0.184E+00 RMM: 3 -0.332414821438E+03 0.23314E-01 -0.16137E-02 5391 0.297E-01 0.288E-01 RMM: 4 -0.332414204101E+03 0.61734E-03 -0.17454E-03 4992 0.807E-02 0.961E-02 RMM: 5 -0.332414171459E+03 0.32642E-04 -0.17576E-04 3910 0.331E-02 0.878E-02 RMM: 6 -0.332414124983E+03 0.46476E-04 -0.31286E-05 2720 0.166E-02 0.535E-02 RMM: 7 -0.332414127614E+03 -0.26309E-05 -0.23703E-05 2549 0.155E-02 7620 T= 6261. E= 0.67569702E+03 F= 0.62385486E+03 E0= 0.65279321E+03 EK= 0.50989E+02 SP= 0.17E+00 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332175656385E+03 0.23847E+00 -0.12157E-01 7856 0.233E+01 0.302E-01 RMM: 2 -0.332202878953E+03 -0.27223E-01 -0.11527E-01 4824 0.791E-01 0.160E+00 RMM: 3 -0.332184819421E+03 0.18060E-01 -0.15816E-02 5400 0.286E-01 0.296E-01 RMM: 4 -0.332184238470E+03 0.58095E-03 -0.18085E-03 4935 0.886E-02 0.123E-01 RMM: 5 -0.332184271490E+03 -0.33021E-04 -0.26949E-04 3922 0.388E-02 0.143E-01 RMM: 6 -0.332184137226E+03 0.13426E-03 -0.79281E-05 3539 0.255E-02 0.395E-02 RMM: 7 -0.332184131390E+03 0.58355E-05 -0.17253E-05 2528 0.124E-02 7621 T= 6303. E= 0.67569935E+03 F= 0.62408486E+03 E0= 0.65300898E+03 EK= 0.51328E+02 SP= -.41E+00 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331937323299E+03 0.24681E+00 -0.11865E-01 7880 0.233E+01 0.228E-01 RMM: 2 -0.331957369248E+03 -0.20046E-01 -0.10872E-01 4855 0.776E-01 0.126E+00 RMM: 3 -0.331946525822E+03 0.10843E-01 -0.13333E-02 5555 0.240E-01 0.226E-01 RMM: 4 -0.331946079972E+03 0.44585E-03 -0.10434E-03 4840 0.669E-02 0.907E-02 RMM: 5 -0.331946038491E+03 0.41481E-04 -0.13627E-04 3877 0.302E-02 0.735E-02 RMM: 6 -0.331946003593E+03 0.34898E-04 -0.28514E-05 2660 0.159E-02 0.444E-02 RMM: 7 -0.331946003095E+03 0.49787E-06 -0.18563E-05 2515 0.134E-02 7622 T= 6345. E= 0.67570109E+03 F= 0.62432299E+03 E0= 0.65322703E+03 EK= 0.51670E+02 SP= -.10E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331713810563E+03 0.23219E+00 -0.11335E-01 7824 0.234E+01 0.175E-01 RMM: 2 -0.331726168616E+03 -0.12358E-01 -0.85102E-02 4931 0.680E-01 0.850E-01 RMM: 3 -0.331721003290E+03 0.51653E-02 -0.95887E-03 5618 0.200E-01 0.190E-01 RMM: 4 -0.331720701506E+03 0.30178E-03 -0.66985E-04 4797 0.554E-02 0.728E-02 RMM: 5 -0.331720681864E+03 0.19643E-04 -0.93870E-05 3695 0.255E-02 7623 T= 6390. E= 0.67570249E+03 F= 0.62454831E+03 E0= 0.65342828E+03 EK= 0.52033E+02 SP= -.16E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331508365304E+03 0.21234E+00 -0.12544E-01 7896 0.235E+01 0.141E-01 RMM: 2 -0.331522356426E+03 -0.13991E-01 -0.11774E-01 4835 0.799E-01 0.694E-01 RMM: 3 -0.331518826563E+03 0.35299E-02 -0.13237E-02 6132 0.205E-01 0.140E-01 RMM: 4 -0.331518481026E+03 0.34554E-03 -0.50391E-04 4614 0.545E-02 0.846E-02 RMM: 5 -0.331518437057E+03 0.43970E-04 -0.65092E-05 3380 0.244E-02 0.699E-02 RMM: 6 -0.331518424735E+03 0.12321E-04 -0.27537E-05 2552 0.160E-02 7624 T= 6438. E= 0.67570343E+03 F= 0.62475056E+03 E0= 0.65360329E+03 EK= 0.52428E+02 SP= -.22E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331335841633E+03 0.18260E+00 -0.11646E-01 7664 0.236E+01 0.331E-01 RMM: 2 -0.331370233084E+03 -0.34391E-01 -0.10387E-01 4829 0.777E-01 0.196E+00 RMM: 3 -0.331343667743E+03 0.26565E-01 -0.16914E-02 5371 0.310E-01 0.259E-01 RMM: 4 -0.331343223704E+03 0.44404E-03 -0.17861E-03 5083 0.778E-02 0.941E-02 RMM: 5 -0.331343207455E+03 0.16249E-04 -0.18298E-04 3897 0.356E-02 7625 T= 6491. E= 0.67570396E+03 F= 0.62492578E+03 E0= 0.65374988E+03 EK= 0.52856E+02 SP= -.28E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331188281964E+03 0.15494E+00 -0.11420E-01 7576 0.237E+01 0.314E-01 RMM: 2 -0.331221788202E+03 -0.33506E-01 -0.97183E-02 5146 0.744E-01 0.195E+00 RMM: 3 -0.331195425334E+03 0.26363E-01 -0.14276E-02 5374 0.290E-01 0.273E-01 RMM: 4 -0.331194917952E+03 0.50738E-03 -0.15278E-03 4829 0.773E-02 0.113E-01 RMM: 5 -0.331194866923E+03 0.51029E-04 -0.18165E-04 3889 0.361E-02 0.103E-01 RMM: 6 -0.331194800466E+03 0.66458E-04 -0.52590E-05 3194 0.213E-02 0.524E-02 RMM: 7 -0.331194804335E+03 -0.38689E-05 -0.26259E-05 2575 0.152E-02 7626 T= 6547. E= 0.67570475E+03 F= 0.62507418E+03 E0= 0.65386747E+03 EK= 0.53317E+02 SP= -.34E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331065457439E+03 0.12934E+00 -0.12354E-01 7744 0.238E+01 0.225E-01 RMM: 2 -0.331083311139E+03 -0.17854E-01 -0.10528E-01 4803 0.768E-01 0.114E+00 RMM: 3 -0.331074100537E+03 0.92106E-02 -0.12312E-02 5509 0.235E-01 0.189E-01 RMM: 4 -0.331073860371E+03 0.24017E-03 -0.95946E-04 4810 0.656E-02 0.111E-01 RMM: 5 -0.331073820835E+03 0.39536E-04 -0.14008E-04 3856 0.303E-02 0.893E-02 RMM: 6 -0.331073768151E+03 0.52684E-04 -0.39246E-05 3053 0.187E-02 0.208E-02 RMM: 7 -0.331073770759E+03 -0.26077E-05 -0.11250E-05 2484 0.109E-02 7627 T= 6608. E= 0.67570515E+03 F= 0.62519522E+03 E0= 0.65395652E+03 EK= 0.53808E+02 SP= -.40E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330978141329E+03 0.95627E-01 -0.11846E-01 7696 0.239E+01 0.185E-01 RMM: 2 -0.330990575630E+03 -0.12434E-01 -0.91583E-02 5059 0.725E-01 0.833E-01 RMM: 3 -0.330985731457E+03 0.48442E-02 -0.97232E-03 5736 0.199E-01 0.154E-01 RMM: 4 -0.330985531747E+03 0.19971E-03 -0.59985E-04 4697 0.550E-02 0.113E-01 RMM: 5 -0.330985424413E+03 0.10733E-03 -0.95727E-05 3670 0.258E-02 0.600E-02 RMM: 6 -0.330985406629E+03 0.17784E-04 -0.23333E-05 2554 0.144E-02 7628 T= 6672. E= 0.67570594E+03 F= 0.62528358E+03 E0= 0.65401107E+03 EK= 0.54334E+02 SP= -.46E+01 SK= 0.72E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330934396232E+03 0.51028E-01 -0.11929E-01 7520 0.241E+01 0.175E-01 RMM: 2 -0.330947895896E+03 -0.13500E-01 -0.85414E-02 5104 0.681E-01 0.944E-01 RMM: 3 -0.330941394215E+03 0.65017E-02 -0.83185E-03 5659 0.190E-01 0.164E-01 RMM: 4 -0.330941178848E+03 0.21537E-03 -0.54254E-04 4629 0.511E-02 0.821E-02 RMM: 5 -0.330941128910E+03 0.49938E-04 -0.70589E-05 3572 0.224E-02 0.655E-02 RMM: 6 -0.330941115743E+03 0.13167E-04 -0.27263E-05 2574 0.157E-02 7629 T= 6742. E= 0.67570708E+03 F= 0.62532787E+03 E0= 0.65402018E+03 EK= 0.54904E+02 SP= -.52E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330948769244E+03 -0.76403E-02 -0.11921E-01 7664 0.243E+01 0.390E-01 RMM: 2 -0.330988714350E+03 -0.39945E-01 -0.10593E-01 4959 0.813E-01 0.216E+00 RMM: 3 -0.330956343043E+03 0.32371E-01 -0.18608E-02 5357 0.339E-01 0.374E-01 RMM: 4 -0.330955339012E+03 0.10040E-02 -0.22082E-03 5129 0.977E-02 0.997E-02 RMM: 5 -0.330955341642E+03 -0.26306E-05 -0.26283E-04 3907 0.362E-02 0.124E-01 RMM: 6 -0.330955241354E+03 0.10029E-03 -0.69897E-05 3434 0.248E-02 0.378E-02 RMM: 7 -0.330955246885E+03 -0.55310E-05 -0.19704E-05 2535 0.131E-02 7630 T= 6819. E= 0.67570759E+03 F= 0.62531374E+03 E0= 0.65396892E+03 EK= 0.55528E+02 SP= -.58E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331030549940E+03 -0.75309E-01 -0.12108E-01 7688 0.244E+01 0.294E-01 RMM: 2 -0.331057996970E+03 -0.27447E-01 -0.11077E-01 4843 0.799E-01 0.162E+00 RMM: 3 -0.331039412739E+03 0.18584E-01 -0.15215E-02 5386 0.291E-01 0.297E-01 RMM: 4 -0.331038834047E+03 0.57869E-03 -0.16854E-03 5018 0.866E-02 0.118E-01 RMM: 5 -0.331038798448E+03 0.35599E-04 -0.21425E-04 3913 0.359E-02 0.113E-01 RMM: 6 -0.331038711175E+03 0.87273E-04 -0.54927E-05 3255 0.220E-02 0.380E-02 RMM: 7 -0.331038710915E+03 0.25981E-06 -0.18157E-05 2527 0.126E-02 7631 T= 6903. E= 0.67570819E+03 F= 0.62523028E+03 E0= 0.65384666E+03 EK= 0.56217E+02 SP= -.64E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331188652448E+03 -0.14994E+00 -0.12822E-01 7968 0.246E+01 0.227E-01 RMM: 2 -0.331207711509E+03 -0.19059E-01 -0.11130E-01 4807 0.807E-01 0.119E+00 RMM: 3 -0.331197918616E+03 0.97929E-02 -0.13442E-02 5541 0.253E-01 0.213E-01 RMM: 4 -0.331197575529E+03 0.34309E-03 -0.96367E-04 4801 0.656E-02 0.856E-02 RMM: 5 -0.331197537416E+03 0.38113E-04 -0.12651E-04 3828 0.309E-02 0.766E-02 RMM: 6 -0.331197502319E+03 0.35097E-04 -0.31665E-05 2822 0.168E-02 0.413E-02 RMM: 7 -0.331197504505E+03 -0.21861E-05 -0.26337E-05 2579 0.156E-02 7632 T= 6996. E= 0.67570744E+03 F= 0.62507148E+03 E0= 0.65364877E+03 EK= 0.56971E+02 SP= -.69E+01 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331413275837E+03 -0.21577E+00 -0.13068E-01 7832 0.248E+01 0.199E-01 RMM: 2 -0.331429639795E+03 -0.16364E-01 -0.11611E-01 4768 0.825E-01 0.953E-01 RMM: 3 -0.331423273914E+03 0.63659E-02 -0.14059E-02 5736 0.241E-01 0.181E-01 RMM: 4 -0.331422980191E+03 0.29372E-03 -0.83254E-04 4733 0.652E-02 0.104E-01 RMM: 5 -0.331422904621E+03 0.75569E-04 -0.11959E-04 3781 0.291E-02 0.684E-02 RMM: 6 -0.331422880758E+03 0.23863E-04 -0.27331E-05 2596 0.157E-02 0.403E-02 RMM: 7 -0.331422878664E+03 0.20939E-05 -0.16857E-05 2506 0.131E-02 7633 T= 7095. E= 0.67570564E+03 F= 0.62484611E+03 E0= 0.65338573E+03 EK= 0.57777E+02 SP= -.75E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331678349531E+03 -0.25547E+00 -0.13589E-01 7752 0.250E+01 0.161E-01 RMM: 2 -0.331693836323E+03 -0.15487E-01 -0.13529E-01 4731 0.878E-01 0.687E-01 RMM: 3 -0.331690334066E+03 0.35023E-02 -0.16000E-02 6088 0.235E-01 0.136E-01 RMM: 4 -0.331690017521E+03 0.31654E-03 -0.62854E-04 4774 0.600E-02 0.107E-01 RMM: 5 -0.331689940205E+03 0.77316E-04 -0.92979E-05 3648 0.289E-02 0.628E-02 RMM: 6 -0.331689922249E+03 0.17955E-04 -0.25877E-05 2555 0.153E-02 7634 T= 7197. E= 0.67570273E+03 F= 0.62457907E+03 E0= 0.65308525E+03 EK= 0.58608E+02 SP= -.80E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331942098048E+03 -0.25216E+00 -0.14022E-01 7760 0.252E+01 0.206E-01 RMM: 2 -0.331962435854E+03 -0.20338E-01 -0.14363E-01 4735 0.916E-01 0.104E+00 RMM: 3 -0.331954743643E+03 0.76922E-02 -0.17185E-02 5763 0.262E-01 0.197E-01 RMM: 4 -0.331954320084E+03 0.42356E-03 -0.95869E-04 4915 0.673E-02 0.830E-02 RMM: 5 -0.331954277386E+03 0.42698E-04 -0.12347E-04 4070 0.293E-02 0.709E-02 RMM: 6 -0.331954255012E+03 0.22375E-04 -0.26921E-05 2567 0.156E-02 0.522E-02 RMM: 7 -0.331954260905E+03 -0.58938E-05 -0.29514E-05 2616 0.162E-02 7635 T= 7296. E= 0.67569851E+03 F= 0.62431473E+03 E0= 0.65279391E+03 EK= 0.59413E+02 SP= -.85E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332144614019E+03 -0.19036E+00 -0.13415E-01 7720 0.254E+01 0.238E-01 RMM: 2 -0.332164116424E+03 -0.19502E-01 -0.12469E-01 4798 0.856E-01 0.114E+00 RMM: 3 -0.332155095908E+03 0.90205E-02 -0.15009E-02 5704 0.252E-01 0.219E-01 RMM: 4 -0.332154717869E+03 0.37804E-03 -0.11599E-03 4793 0.780E-02 0.127E-01 RMM: 5 -0.332154636839E+03 0.81029E-04 -0.16801E-04 3872 0.323E-02 0.818E-02 RMM: 6 -0.332154594478E+03 0.42361E-04 -0.31205E-05 2803 0.169E-02 0.298E-02 RMM: 7 -0.332154595614E+03 -0.11361E-05 -0.17531E-05 2498 0.133E-02 7636 T= 7383. E= 0.67569434E+03 F= 0.62411439E+03 E0= 0.65257486E+03 EK= 0.60127E+02 SP= -.89E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332211842801E+03 -0.57248E-01 -0.14548E-01 7784 0.255E+01 0.186E-01 RMM: 2 -0.332230258618E+03 -0.18416E-01 -0.14886E-01 4766 0.921E-01 0.858E-01 RMM: 3 -0.332225010676E+03 0.52479E-02 -0.17600E-02 5973 0.249E-01 0.146E-01 RMM: 4 -0.332224644216E+03 0.36646E-03 -0.75683E-04 4917 0.632E-02 0.106E-01 RMM: 5 -0.332224563844E+03 0.80372E-04 -0.11469E-04 3902 0.294E-02 0.688E-02 RMM: 6 -0.332224540124E+03 0.23720E-04 -0.29837E-05 2577 0.163E-02 0.451E-02 RMM: 7 -0.332224535239E+03 0.48849E-05 -0.30660E-05 2611 0.156E-02 7637 T= 7451. E= 0.67569029E+03 F= 0.62404445E+03 E0= 0.65249494E+03 EK= 0.60677E+02 SP= -.94E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332087090119E+03 0.13745E+00 -0.13605E-01 7696 0.256E+01 0.185E-01 RMM: 2 -0.332103089340E+03 -0.15999E-01 -0.13545E-01 4826 0.880E-01 0.773E-01 RMM: 3 -0.332099074102E+03 0.40152E-02 -0.16132E-02 6056 0.233E-01 0.147E-01 RMM: 4 -0.332098716387E+03 0.35772E-03 -0.72729E-04 4827 0.642E-02 0.117E-01 RMM: 5 -0.332098627384E+03 0.89003E-04 -0.11092E-04 3758 0.297E-02 0.588E-02 RMM: 6 -0.332098611571E+03 0.15813E-04 -0.25883E-05 2559 0.149E-02 7638 T= 7490. E= 0.67568709E+03 F= 0.62417038E+03 E0= 0.65261944E+03 EK= 0.60994E+02 SP= -.98E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331706404724E+03 0.39222E+00 -0.14674E-01 7568 0.256E+01 0.193E-01 RMM: 2 -0.331729110054E+03 -0.22705E-01 -0.17662E-01 4803 0.991E-01 0.978E-01 RMM: 3 -0.331722353228E+03 0.67568E-02 -0.21114E-02 5990 0.261E-01 0.177E-01 RMM: 4 -0.331721819764E+03 0.53346E-03 -0.91378E-04 4887 0.702E-02 0.106E-01 RMM: 5 -0.331721733292E+03 0.86472E-04 -0.13307E-04 4200 0.301E-02 0.643E-02 RMM: 6 -0.331721718597E+03 0.14695E-04 -0.28748E-05 2570 0.157E-02 7639 T= 7493. E= 0.67568653E+03 F= 0.62454727E+03 E0= 0.65300209E+03 EK= 0.61020E+02 SP= -.10E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331056108906E+03 0.66562E+00 -0.14005E-01 7656 0.255E+01 0.334E-01 RMM: 2 -0.331092582764E+03 -0.36474E-01 -0.13651E-01 4913 0.900E-01 0.194E+00 RMM: 3 -0.331066923240E+03 0.25660E-01 -0.18683E-02 5439 0.317E-01 0.292E-01 RMM: 4 -0.331066291630E+03 0.63161E-03 -0.19210E-03 5027 0.893E-02 0.880E-02 RMM: 5 -0.331066271434E+03 0.20196E-04 -0.22799E-04 4593 0.310E-02 0.100E-01 RMM: 6 -0.331066213032E+03 0.58401E-04 -0.40006E-05 2990 0.193E-02 0.473E-02 RMM: 7 -0.331066220822E+03 -0.77899E-05 -0.23101E-05 2553 0.145E-02 7640 T= 7457. E= 0.67568851E+03 F= 0.62520277E+03 E0= 0.65366905E+03 EK= 0.60726E+02 SP= -.10E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330126560222E+03 0.93965E+00 -0.16220E-01 7600 0.254E+01 0.279E-01 RMM: 2 -0.330158342693E+03 -0.31782E-01 -0.20045E-01 4761 0.105E+00 0.141E+00 RMM: 3 -0.330143986902E+03 0.14356E-01 -0.23901E-02 5617 0.314E-01 0.306E-01 RMM: 4 -0.330143204516E+03 0.78239E-03 -0.18836E-03 5208 0.938E-02 0.119E-01 RMM: 5 -0.330143157083E+03 0.47434E-04 -0.25077E-04 4011 0.344E-02 0.105E-01 RMM: 6 -0.330143085058E+03 0.72025E-04 -0.46022E-05 3146 0.194E-02 0.407E-02 RMM: 7 -0.330143085743E+03 -0.68451E-06 -0.21729E-05 2531 0.137E-02 7641 T= 7383. E= 0.67569323E+03 F= 0.62612590E+03 E0= 0.65460723E+03 EK= 0.60122E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328989270769E+03 0.11538E+01 -0.14724E-01 7920 0.251E+01 0.229E-01 RMM: 2 -0.329011363402E+03 -0.22093E-01 -0.14721E-01 4894 0.892E-01 0.117E+00 RMM: 3 -0.329001816232E+03 0.95472E-02 -0.17090E-02 5818 0.264E-01 0.202E-01 RMM: 4 -0.329001390789E+03 0.42544E-03 -0.10267E-03 4916 0.694E-02 0.107E-01 RMM: 5 -0.329001318958E+03 0.71831E-04 -0.13640E-04 3974 0.295E-02 0.847E-02 RMM: 6 -0.329001281600E+03 0.37358E-04 -0.31754E-05 2743 0.169E-02 0.542E-02 RMM: 7 -0.329001283361E+03 -0.17608E-05 -0.27950E-05 2595 0.160E-02 7642 T= 7277. E= 0.67569997E+03 F= 0.62726771E+03 E0= 0.65576586E+03 EK= 0.59260E+02 SP= -.11E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327710555936E+03 0.12907E+01 -0.14378E-01 8024 0.249E+01 0.202E-01 RMM: 2 -0.327728857879E+03 -0.18302E-01 -0.13940E-01 4982 0.840E-01 0.923E-01 RMM: 3 -0.327722278908E+03 0.65790E-02 -0.14843E-02 5913 0.245E-01 0.191E-01 RMM: 4 -0.327721918759E+03 0.36015E-03 -0.84059E-04 4861 0.637E-02 0.107E-01 RMM: 5 -0.327721848598E+03 0.70162E-04 -0.10936E-04 3750 0.283E-02 0.714E-02 RMM: 6 -0.327721825577E+03 0.23021E-04 -0.25641E-05 2572 0.153E-02 0.490E-02 RMM: 7 -0.327721827175E+03 -0.15984E-05 -0.20688E-05 2560 0.142E-02 7643 T= 7150. E= 0.67570779E+03 F= 0.62854716E+03 E0= 0.65706234E+03 EK= 0.58224E+02 SP= -.11E+02 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326393882159E+03 0.13279E+01 -0.14256E-01 8272 0.246E+01 0.174E-01 RMM: 2 -0.326409773388E+03 -0.15891E-01 -0.14175E-01 5000 0.837E-01 0.687E-01 RMM: 3 -0.326405687856E+03 0.40855E-02 -0.13878E-02 6229 0.230E-01 0.148E-01 RMM: 4 -0.326405433883E+03 0.25397E-03 -0.63542E-04 4739 0.596E-02 0.131E-01 RMM: 5 -0.326405320893E+03 0.11299E-03 -0.98461E-05 3604 0.283E-02 0.738E-02 RMM: 6 -0.326405297964E+03 0.22929E-04 -0.27842E-05 2607 0.161E-02 0.497E-02 RMM: 7 -0.326405295335E+03 0.26296E-05 -0.28964E-05 2630 0.156E-02 7644 T= 7014. E= 0.67571562E+03 F= 0.62986369E+03 E0= 0.65839602E+03 EK= 0.57119E+02 SP= -.11E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325141278911E+03 0.12640E+01 -0.14933E-01 8432 0.243E+01 0.169E-01 RMM: 2 -0.325157282240E+03 -0.16003E-01 -0.13992E-01 5268 0.809E-01 0.689E-01 RMM: 3 -0.325152742511E+03 0.45397E-02 -0.11839E-02 5988 0.222E-01 0.153E-01 RMM: 4 -0.325152524802E+03 0.21771E-03 -0.62657E-04 4771 0.553E-02 0.111E-01 RMM: 5 -0.325152450358E+03 0.74444E-04 -0.84670E-05 3534 0.266E-02 0.709E-02 RMM: 6 -0.325152430196E+03 0.20162E-04 -0.25722E-05 2586 0.157E-02 0.517E-02 RMM: 7 -0.325152434389E+03 -0.41930E-05 -0.36445E-05 2721 0.170E-02 7645 T= 6883. E= 0.67572160E+03 F= 0.63111655E+03 E0= 0.65966467E+03 EK= 0.56051E+02 SP= -.11E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324032383782E+03 0.11200E+01 -0.15678E-01 8584 0.242E+01 0.175E-01 RMM: 2 -0.324049286074E+03 -0.16902E-01 -0.14850E-01 5166 0.845E-01 0.703E-01 RMM: 3 -0.324044756429E+03 0.45296E-02 -0.12846E-02 6108 0.228E-01 0.156E-01 RMM: 4 -0.324044514612E+03 0.24182E-03 -0.68296E-04 4747 0.606E-02 0.122E-01 RMM: 5 -0.324044422577E+03 0.92035E-04 -0.10517E-04 3673 0.288E-02 0.697E-02 RMM: 6 -0.324044401048E+03 0.21528E-04 -0.27649E-05 2632 0.161E-02 0.446E-02 RMM: 7 -0.324044405292E+03 -0.42441E-05 -0.22540E-05 2576 0.143E-02 7646 T= 6767. E= 0.67572576E+03 F= 0.63222458E+03 E0= 0.66078698E+03 EK= 0.55108E+02 SP= -.12E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323119179405E+03 0.92522E+00 -0.16280E-01 8672 0.241E+01 0.161E-01 RMM: 2 -0.323135864875E+03 -0.16685E-01 -0.14844E-01 5538 0.831E-01 0.664E-01 RMM: 3 -0.323131650167E+03 0.42147E-02 -0.10874E-02 5973 0.208E-01 0.142E-01 RMM: 4 -0.323131438259E+03 0.21191E-03 -0.59533E-04 4660 0.549E-02 0.114E-01 RMM: 5 -0.323131361065E+03 0.77194E-04 -0.88929E-05 3584 0.272E-02 0.672E-02 RMM: 6 -0.323131343010E+03 0.18055E-04 -0.26115E-05 2608 0.157E-02 7647 T= 6673. E= 0.67572768E+03 F= 0.63313765E+03 E0= 0.66171238E+03 EK= 0.54344E+02 SP= -.12E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322418425564E+03 0.71294E+00 -0.16157E-01 8800 0.240E+01 0.240E-01 RMM: 2 -0.322442767430E+03 -0.24342E-01 -0.14856E-01 5344 0.835E-01 0.127E+00 RMM: 3 -0.322430532732E+03 0.12235E-01 -0.12692E-02 5492 0.248E-01 0.253E-01 RMM: 4 -0.322430060047E+03 0.47268E-03 -0.11567E-03 4892 0.699E-02 0.981E-02 RMM: 5 -0.322430016019E+03 0.44028E-04 -0.13879E-04 3872 0.304E-02 0.820E-02 RMM: 6 -0.322429984360E+03 0.31659E-04 -0.29571E-05 2710 0.159E-02 0.633E-02 RMM: 7 -0.322430006093E+03 -0.21732E-04 -0.45953E-05 3118 0.198E-02 0.878E-02 RMM: 8 -0.322429959718E+03 0.46374E-04 -0.98238E-05 3879 0.209E-02 0.418E-02 RMM: 9 -0.322429951112E+03 0.86060E-05 -0.16937E-05 2543 0.119E-02 7648 T= 6604. E= 0.67572712E+03 F= 0.63383904E+03 E0= 0.66242471E+03 EK= 0.53781E+02 SP= -.12E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321915949586E+03 0.51401E+00 -0.16209E-01 8920 0.241E+01 0.309E-01 RMM: 2 -0.321947469446E+03 -0.31520E-01 -0.14995E-01 5195 0.860E-01 0.166E+00 RMM: 3 -0.321927249283E+03 0.20220E-01 -0.15140E-02 5525 0.273E-01 0.193E-01 RMM: 4 -0.321927125751E+03 0.12353E-03 -0.16006E-03 4840 0.869E-02 0.192E-01 RMM: 5 -0.321926971666E+03 0.15409E-03 -0.25497E-04 3923 0.373E-02 0.132E-01 RMM: 6 -0.321926857516E+03 0.11415E-03 -0.80049E-05 3551 0.260E-02 0.371E-02 RMM: 7 -0.321926863888E+03 -0.63718E-05 -0.21990E-05 2568 0.141E-02 7649 T= 6559. E= 0.67572496E+03 F= 0.63434213E+03 E0= 0.66293668E+03 EK= 0.53410E+02 SP= -.12E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321579154446E+03 0.34770E+00 -0.16261E-01 8864 0.241E+01 0.238E-01 RMM: 2 -0.321602748205E+03 -0.23594E-01 -0.14331E-01 5373 0.831E-01 0.127E+00 RMM: 3 -0.321590686015E+03 0.12062E-01 -0.12443E-02 5661 0.235E-01 0.236E-01 RMM: 4 -0.321590231363E+03 0.45465E-03 -0.10309E-03 4818 0.673E-02 0.944E-02 RMM: 5 -0.321590196658E+03 0.34706E-04 -0.13159E-04 3904 0.284E-02 0.861E-02 RMM: 6 -0.321590158652E+03 0.38005E-04 -0.28451E-05 2721 0.160E-02 0.565E-02 RMM: 7 -0.321590176674E+03 -0.18022E-04 -0.43262E-05 3072 0.190E-02 7650 T= 6533. E= 0.67572293E+03 F= 0.63467881E+03 E0= 0.66328042E+03 EK= 0.53202E+02 SP= -.12E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321380392405E+03 0.20977E+00 -0.16016E-01 8824 0.242E+01 0.241E-01 RMM: 2 -0.321402331268E+03 -0.21939E-01 -0.14339E-01 5253 0.845E-01 0.118E+00 RMM: 3 -0.321391980816E+03 0.10350E-01 -0.13490E-02 5776 0.237E-01 0.186E-01 RMM: 4 -0.321391709988E+03 0.27083E-03 -0.10363E-03 4731 0.703E-02 0.135E-01 RMM: 5 -0.321391609683E+03 0.10031E-03 -0.14605E-04 3953 0.281E-02 0.875E-02 RMM: 6 -0.321391569227E+03 0.40456E-04 -0.27740E-05 2712 0.165E-02 0.457E-02 RMM: 7 -0.321391570645E+03 -0.14178E-05 -0.21166E-05 2541 0.141E-02 7651 T= 6524. E= 0.67572188E+03 F= 0.63487742E+03 E0= 0.66348464E+03 EK= 0.53131E+02 SP= -.12E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321304967366E+03 0.86602E-01 -0.15658E-01 8872 0.243E+01 0.222E-01 RMM: 2 -0.321325122395E+03 -0.20155E-01 -0.14671E-01 5233 0.873E-01 0.104E+00 RMM: 3 -0.321317450579E+03 0.76718E-02 -0.14178E-02 5812 0.235E-01 0.239E-01 RMM: 4 -0.321316923234E+03 0.52734E-03 -0.96901E-04 4767 0.694E-02 0.106E-01 RMM: 5 -0.321316871151E+03 0.52083E-04 -0.13804E-04 3990 0.275E-02 0.927E-02 RMM: 6 -0.321316831460E+03 0.39691E-04 -0.29005E-05 2775 0.166E-02 0.618E-02 RMM: 7 -0.321316840675E+03 -0.92151E-05 -0.31455E-05 2691 0.168E-02 7652 T= 6531. E= 0.67572158E+03 F= 0.63495215E+03 E0= 0.66356393E+03 EK= 0.53184E+02 SP= -.12E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321347731699E+03 -0.30900E-01 -0.14403E-01 8528 0.243E+01 0.231E-01 RMM: 2 -0.321366776552E+03 -0.19045E-01 -0.14116E-01 4997 0.879E-01 0.973E-01 RMM: 3 -0.321359869492E+03 0.69071E-02 -0.16101E-02 5828 0.252E-01 0.209E-01 RMM: 4 -0.321359464811E+03 0.40468E-03 -0.10571E-03 4837 0.693E-02 0.115E-01 RMM: 5 -0.321359395467E+03 0.69344E-04 -0.13943E-04 4270 0.278E-02 0.861E-02 RMM: 6 -0.321359362190E+03 0.33277E-04 -0.25849E-05 2592 0.157E-02 0.522E-02 RMM: 7 -0.321359368733E+03 -0.65431E-05 -0.20562E-05 2559 0.141E-02 7653 T= 6552. E= 0.67571948E+03 F= 0.63490962E+03 E0= 0.66352517E+03 EK= 0.53352E+02 SP= -.13E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321478233472E+03 -0.11887E+00 -0.13184E-01 8008 0.244E+01 0.196E-01 RMM: 2 -0.321494775315E+03 -0.16542E-01 -0.12970E-01 4847 0.849E-01 0.858E-01 RMM: 3 -0.321489561460E+03 0.52139E-02 -0.15296E-02 5930 0.235E-01 0.212E-01 RMM: 4 -0.321489078521E+03 0.48294E-03 -0.87886E-04 4766 0.680E-02 0.987E-02 RMM: 5 -0.321489040421E+03 0.38100E-04 -0.12952E-04 3845 0.288E-02 0.873E-02 RMM: 6 -0.321488997400E+03 0.43021E-04 -0.30916E-05 2773 0.172E-02 0.445E-02 RMM: 7 -0.321489001924E+03 -0.45236E-05 -0.19756E-05 2533 0.139E-02 7654 T= 6582. E= 0.67571429E+03 F= 0.63477999E+03 E0= 0.66339820E+03 EK= 0.53602E+02 SP= -.13E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321617747724E+03 -0.12875E+00 -0.12872E-01 7672 0.245E+01 0.172E-01 RMM: 2 -0.321631029688E+03 -0.13282E-01 -0.11112E-01 4818 0.802E-01 0.716E-01 RMM: 3 -0.321627405726E+03 0.36240E-02 -0.13317E-02 5855 0.215E-01 0.123E-01 RMM: 4 -0.321627179250E+03 0.22648E-03 -0.65618E-04 4935 0.562E-02 0.996E-02 RMM: 5 -0.321627114967E+03 0.64283E-04 -0.86292E-05 3633 0.266E-02 0.624E-02 RMM: 6 -0.321627094949E+03 0.20018E-04 -0.24906E-05 2551 0.153E-02 0.371E-02 RMM: 7 -0.321627094951E+03 -0.15280E-08 -0.18891E-05 2515 0.131E-02 7655 T= 6613. E= 0.67570615E+03 F= 0.63464189E+03 E0= 0.66326153E+03 EK= 0.53855E+02 SP= -.13E+02 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321640317284E+03 -0.13222E-01 -0.12455E-01 7864 0.246E+01 0.180E-01 RMM: 2 -0.321654917147E+03 -0.14600E-01 -0.10495E-01 4753 0.783E-01 0.885E-01 RMM: 3 -0.321649406016E+03 0.55111E-02 -0.12885E-02 5848 0.219E-01 0.173E-01 RMM: 4 -0.321649064231E+03 0.34179E-03 -0.71217E-04 4711 0.615E-02 0.999E-02 RMM: 5 -0.321649014833E+03 0.49398E-04 -0.11131E-04 3710 0.296E-02 0.722E-02 RMM: 6 -0.321648985428E+03 0.29405E-04 -0.28609E-05 2642 0.164E-02 0.396E-02 RMM: 7 -0.321648987428E+03 -0.20002E-05 -0.16825E-05 2517 0.128E-02 7656 T= 6630. E= 0.67569777E+03 F= 0.63462000E+03 E0= 0.66323943E+03 EK= 0.53988E+02 SP= -.13E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321412806485E+03 0.23618E+00 -0.13198E-01 8368 0.247E+01 0.179E-01 RMM: 2 -0.321426747502E+03 -0.13941E-01 -0.11513E-01 5082 0.784E-01 0.744E-01 RMM: 3 -0.321422522264E+03 0.42252E-02 -0.12305E-02 5906 0.213E-01 0.156E-01 RMM: 4 -0.321422242723E+03 0.27954E-03 -0.66176E-04 4824 0.572E-02 0.118E-01 RMM: 5 -0.321422153399E+03 0.89324E-04 -0.96223E-05 3696 0.280E-02 0.668E-02 RMM: 6 -0.321422139964E+03 0.13434E-04 -0.22278E-05 2546 0.140E-02 7657 T= 6615. E= 0.67569269E+03 F= 0.63484685E+03 E0= 0.66346442E+03 EK= 0.53870E+02 SP= -.13E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320848407262E+03 0.57375E+00 -0.14580E-01 8592 0.247E+01 0.194E-01 RMM: 2 -0.320867938969E+03 -0.19532E-01 -0.14668E-01 5164 0.853E-01 0.962E-01 RMM: 3 -0.320860915692E+03 0.70233E-02 -0.14600E-02 5706 0.239E-01 0.194E-01 RMM: 4 -0.320860542523E+03 0.37317E-03 -0.88249E-04 5054 0.619E-02 0.112E-01 RMM: 5 -0.320860479205E+03 0.63317E-04 -0.96020E-05 3800 0.273E-02 0.843E-02 RMM: 6 -0.320860467856E+03 0.11349E-04 -0.24939E-05 2559 0.149E-02 7658 T= 6560. E= 0.67569274E+03 F= 0.63540852E+03 E0= 0.66402304E+03 EK= 0.53417E+02 SP= -.13E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319946426556E+03 0.91405E+00 -0.14868E-01 8744 0.246E+01 0.392E-01 RMM: 2 -0.319995515112E+03 -0.49089E-01 -0.15529E-01 4950 0.916E-01 0.229E+00 RMM: 3 -0.319958274011E+03 0.37241E-01 -0.23364E-02 5389 0.360E-01 0.326E-01 RMM: 4 -0.319957491103E+03 0.78291E-03 -0.26818E-03 5448 0.973E-02 0.120E-01 RMM: 5 -0.319957421568E+03 0.69535E-04 -0.21839E-04 4156 0.316E-02 0.103E-01 RMM: 6 -0.319957371582E+03 0.49985E-04 -0.29887E-05 2687 0.162E-02 0.756E-02 RMM: 7 -0.319957392592E+03 -0.21009E-04 -0.51255E-05 3258 0.199E-02 0.969E-02 RMM: 8 -0.319957350145E+03 0.42446E-04 -0.10730E-04 3900 0.229E-02 0.607E-02 RMM: 9 -0.319957332253E+03 0.17892E-04 -0.26046E-05 2659 0.141E-02 7659 T= 6462. E= 0.67569899E+03 F= 0.63631166E+03 E0= 0.66492544E+03 EK= 0.52626E+02 SP= -.13E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318776380231E+03 0.11810E+01 -0.14727E-01 8920 0.244E+01 0.285E-01 RMM: 2 -0.318803930492E+03 -0.27550E-01 -0.15266E-01 5124 0.848E-01 0.143E+00 RMM: 3 -0.318788687383E+03 0.15243E-01 -0.16437E-02 5417 0.286E-01 0.238E-01 RMM: 4 -0.318788513186E+03 0.17420E-03 -0.19013E-03 5031 0.923E-02 0.207E-01 RMM: 5 -0.318788321619E+03 0.19157E-03 -0.28932E-04 3909 0.415E-02 0.134E-01 RMM: 6 -0.318788204770E+03 0.11685E-03 -0.79274E-05 3533 0.252E-02 0.452E-02 RMM: 7 -0.318788223245E+03 -0.18475E-04 -0.36541E-05 2935 0.176E-02 7660 T= 6333. E= 0.67570899E+03 F= 0.63748077E+03 E0= 0.66609551E+03 EK= 0.51572E+02 SP= -.13E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317475456902E+03 0.13127E+01 -0.14414E-01 8896 0.240E+01 0.241E-01 RMM: 2 -0.317499459757E+03 -0.24003E-01 -0.14256E-01 5152 0.835E-01 0.128E+00 RMM: 3 -0.317487132067E+03 0.12328E-01 -0.14602E-02 5679 0.250E-01 0.236E-01 RMM: 4 -0.317486650238E+03 0.48183E-03 -0.11562E-03 4902 0.704E-02 0.952E-02 RMM: 5 -0.317486619092E+03 0.31146E-04 -0.14738E-04 4071 0.287E-02 0.881E-02 RMM: 6 -0.317486581653E+03 0.37439E-04 -0.27894E-05 2598 0.156E-02 0.584E-02 RMM: 7 -0.317486596827E+03 -0.15174E-04 -0.43154E-05 3038 0.180E-02 7661 T= 6188. E= 0.67572078E+03 F= 0.63878239E+03 E0= 0.66740316E+03 EK= 0.50391E+02 SP= -.13E+02 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316200217750E+03 0.12864E+01 -0.15310E-01 8960 0.236E+01 0.217E-01 RMM: 2 -0.316223386552E+03 -0.23169E-01 -0.15546E-01 5132 0.864E-01 0.117E+00 RMM: 3 -0.316213405385E+03 0.99812E-02 -0.15163E-02 5728 0.244E-01 0.196E-01 RMM: 4 -0.316212999870E+03 0.40552E-03 -0.10407E-03 4892 0.684E-02 0.100E-01 RMM: 5 -0.316212948240E+03 0.51630E-04 -0.13973E-04 3947 0.292E-02 0.742E-02 RMM: 6 -0.316212921297E+03 0.26943E-04 -0.28686E-05 2689 0.161E-02 0.455E-02 RMM: 7 -0.316212926093E+03 -0.47963E-05 -0.19715E-05 2538 0.136E-02 7662 T= 6047. E= 0.67573200E+03 F= 0.64005606E+03 E0= 0.66868905E+03 EK= 0.49246E+02 SP= -.14E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315107062087E+03 0.11059E+01 -0.16364E-01 8896 0.232E+01 0.203E-01 RMM: 2 -0.315127919266E+03 -0.20857E-01 -0.16216E-01 5082 0.906E-01 0.938E-01 RMM: 3 -0.315121099857E+03 0.68194E-02 -0.15855E-02 5926 0.244E-01 0.205E-01 RMM: 4 -0.315120619840E+03 0.48002E-03 -0.90199E-04 4921 0.661E-02 0.101E-01 RMM: 5 -0.315120569790E+03 0.50050E-04 -0.12758E-04 3948 0.289E-02 0.828E-02 RMM: 6 -0.315120539486E+03 0.30304E-04 -0.28098E-05 2597 0.159E-02 0.575E-02 RMM: 7 -0.315120548640E+03 -0.91533E-05 -0.40580E-05 2962 0.179E-02 7663 T= 5930. E= 0.67574078E+03 F= 0.64114844E+03 E0= 0.66980126E+03 EK= 0.48294E+02 SP= -.14E+02 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314318328013E+03 0.80221E+00 -0.16037E-01 9008 0.229E+01 0.207E-01 RMM: 2 -0.314338089042E+03 -0.19761E-01 -0.15247E-01 5030 0.881E-01 0.949E-01 RMM: 3 -0.314331471491E+03 0.66176E-02 -0.15532E-02 5988 0.239E-01 0.201E-01 RMM: 4 -0.314330993453E+03 0.47804E-03 -0.89424E-04 4800 0.673E-02 0.107E-01 RMM: 5 -0.314330953044E+03 0.40410E-04 -0.13850E-04 3839 0.306E-02 0.812E-02 RMM: 6 -0.314330921689E+03 0.31354E-04 -0.30714E-05 2802 0.168E-02 0.488E-02 RMM: 7 -0.314330933130E+03 -0.11440E-04 -0.25117E-05 2578 0.153E-02 7664 T= 5852. E= 0.67574674E+03 F= 0.64193806E+03 E0= 0.67061779E+03 EK= 0.47659E+02 SP= -.14E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313907489015E+03 0.42343E+00 -0.15950E-01 8856 0.227E+01 0.193E-01 RMM: 2 -0.313927282916E+03 -0.19794E-01 -0.15335E-01 5107 0.880E-01 0.915E-01 RMM: 3 -0.313920851252E+03 0.64317E-02 -0.14922E-02 5758 0.240E-01 0.182E-01 RMM: 4 -0.313920485797E+03 0.36545E-03 -0.88996E-04 5052 0.632E-02 0.106E-01 RMM: 5 -0.313920416109E+03 0.69688E-04 -0.11545E-04 3804 0.284E-02 0.738E-02 RMM: 6 -0.313920394472E+03 0.21637E-04 -0.28417E-05 2622 0.159E-02 0.580E-02 RMM: 7 -0.313920394330E+03 0.14108E-06 -0.36255E-05 2728 0.173E-02 7665 T= 5823. E= 0.67574897E+03 F= 0.64234859E+03 E0= 0.67106193E+03 EK= 0.47420E+02 SP= -.14E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313902247791E+03 0.18147E-01 -0.14109E-01 8872 0.227E+01 0.214E-01 RMM: 2 -0.313920529777E+03 -0.18282E-01 -0.12061E-01 5317 0.778E-01 0.106E+00 RMM: 3 -0.313912476716E+03 0.80531E-02 -0.11323E-02 5686 0.221E-01 0.235E-01 RMM: 4 -0.313912017896E+03 0.45882E-03 -0.92414E-04 4814 0.641E-02 0.939E-02 RMM: 5 -0.313911980929E+03 0.36967E-04 -0.12312E-04 3833 0.273E-02 0.806E-02 RMM: 6 -0.313911952241E+03 0.28688E-04 -0.24566E-05 2606 0.150E-02 0.569E-02 RMM: 7 -0.313911960534E+03 -0.82934E-05 -0.26995E-05 2654 0.155E-02 7666 T= 5846. E= 0.67574769E+03 F= 0.64235703E+03 E0= 0.67110869E+03 EK= 0.47603E+02 SP= -.14E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314269051654E+03 -0.35710E+00 -0.13407E-01 8416 0.227E+01 0.222E-01 RMM: 2 -0.314288343783E+03 -0.19292E-01 -0.11813E-01 5266 0.776E-01 0.114E+00 RMM: 3 -0.314278971821E+03 0.93720E-02 -0.12232E-02 5532 0.235E-01 0.229E-01 RMM: 4 -0.314278584216E+03 0.38760E-03 -0.10825E-03 4971 0.661E-02 0.972E-02 RMM: 5 -0.314278531829E+03 0.52386E-04 -0.12612E-04 3846 0.282E-02 0.806E-02 RMM: 6 -0.314278497972E+03 0.33857E-04 -0.28514E-05 2732 0.161E-02 0.513E-02 RMM: 7 -0.314278502236E+03 -0.42634E-05 -0.23179E-05 2588 0.145E-02 7667 T= 5917. E= 0.67574261E+03 F= 0.64199049E+03 E0= 0.67078314E+03 EK= 0.48182E+02 SP= -.15E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314935413060E+03 -0.65692E+00 -0.12341E-01 8104 0.228E+01 0.196E-01 RMM: 2 -0.314950198018E+03 -0.14785E-01 -0.99795E-02 5188 0.711E-01 0.949E-01 RMM: 3 -0.314943754144E+03 0.64439E-02 -0.10398E-02 5657 0.211E-01 0.220E-01 RMM: 4 -0.314943355584E+03 0.39856E-03 -0.81179E-04 4834 0.598E-02 0.911E-02 RMM: 5 -0.314943314529E+03 0.41055E-04 -0.10851E-04 3763 0.267E-02 0.772E-02 RMM: 6 -0.314943286292E+03 0.28238E-04 -0.23415E-05 2573 0.144E-02 0.559E-02 RMM: 7 -0.314943290884E+03 -0.45924E-05 -0.30687E-05 2681 0.161E-02 7668 T= 6027. E= 0.67573490E+03 F= 0.64132570E+03 E0= 0.67015938E+03 EK= 0.49080E+02 SP= -.15E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315782938650E+03 -0.83965E+00 -0.12008E-01 7952 0.230E+01 0.192E-01 RMM: 2 -0.315796733388E+03 -0.13795E-01 -0.92336E-02 5100 0.702E-01 0.933E-01 RMM: 3 -0.315790508091E+03 0.62253E-02 -0.10195E-02 5613 0.209E-01 0.189E-01 RMM: 4 -0.315790242315E+03 0.26578E-03 -0.79115E-04 4874 0.583E-02 0.895E-02 RMM: 5 -0.315790197598E+03 0.44717E-04 -0.10653E-04 3754 0.273E-02 0.746E-02 RMM: 6 -0.315790165893E+03 0.31705E-04 -0.26804E-05 2622 0.157E-02 0.402E-02 RMM: 7 -0.315790166753E+03 -0.85973E-06 -0.18307E-05 2519 0.131E-02 7669 T= 6162. E= 0.67572564E+03 F= 0.64047882E+03 E0= 0.66935236E+03 EK= 0.50181E+02 SP= -.15E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316675101699E+03 -0.88494E+00 -0.11987E-01 7992 0.233E+01 0.172E-01 RMM: 2 -0.316686741571E+03 -0.11640E-01 -0.87368E-02 5161 0.679E-01 0.792E-01 RMM: 3 -0.316682308172E+03 0.44334E-02 -0.88357E-03 5806 0.185E-01 0.170E-01 RMM: 4 -0.316682059439E+03 0.24873E-03 -0.58238E-04 4684 0.527E-02 0.103E-01 RMM: 5 -0.316681993490E+03 0.65950E-04 -0.94488E-05 3687 0.269E-02 0.709E-02 RMM: 6 -0.316681967076E+03 0.26414E-04 -0.25348E-05 2572 0.152E-02 0.468E-02 RMM: 7 -0.316681959741E+03 0.73350E-05 -0.27508E-05 2585 0.151E-02 7670 T= 6305. E= 0.67571603E+03 F= 0.63958703E+03 E0= 0.66849713E+03 EK= 0.51344E+02 SP= -.15E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317476566502E+03 -0.79460E+00 -0.12497E-01 8304 0.236E+01 0.173E-01 RMM: 2 -0.317489225262E+03 -0.12659E-01 -0.99711E-02 5091 0.732E-01 0.762E-01 RMM: 3 -0.317485024490E+03 0.42008E-02 -0.10889E-02 5834 0.199E-01 0.173E-01 RMM: 4 -0.317484745228E+03 0.27926E-03 -0.63658E-04 4712 0.553E-02 0.105E-01 RMM: 5 -0.317484670830E+03 0.74397E-04 -0.10092E-04 3720 0.278E-02 0.663E-02 RMM: 6 -0.317484652188E+03 0.18642E-04 -0.23433E-05 2552 0.142E-02 7671 T= 6439. E= 0.67570915E+03 F= 0.63878434E+03 E0= 0.66772769E+03 EK= 0.52435E+02 SP= -.16E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318089771974E+03 -0.60510E+00 -0.12623E-01 8592 0.239E+01 0.200E-01 RMM: 2 -0.318106909092E+03 -0.17137E-01 -0.10411E-01 5199 0.729E-01 0.109E+00 RMM: 3 -0.318098359054E+03 0.85500E-02 -0.10754E-02 5574 0.212E-01 0.195E-01 RMM: 4 -0.318098061556E+03 0.29750E-03 -0.84481E-04 4988 0.580E-02 0.101E-01 RMM: 5 -0.318097992113E+03 0.69442E-04 -0.94758E-05 3744 0.264E-02 0.747E-02 RMM: 6 -0.318097977139E+03 0.14974E-04 -0.23624E-05 2550 0.141E-02 7672 T= 6551. E= 0.67570572E+03 F= 0.63817101E+03 E0= 0.66714358E+03 EK= 0.53348E+02 SP= -.16E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318463458733E+03 -0.36547E+00 -0.12198E-01 8464 0.241E+01 0.284E-01 RMM: 2 -0.318489596490E+03 -0.26138E-01 -0.10008E-01 5177 0.734E-01 0.161E+00 RMM: 3 -0.318471411307E+03 0.18185E-01 -0.13105E-02 5391 0.264E-01 0.300E-01 RMM: 4 -0.318470783787E+03 0.62752E-03 -0.15085E-03 4843 0.779E-02 0.995E-02 RMM: 5 -0.318470732032E+03 0.51756E-04 -0.16577E-04 4060 0.304E-02 0.884E-02 RMM: 6 -0.318470694626E+03 0.37406E-04 -0.28011E-05 2581 0.160E-02 0.643E-02 RMM: 7 -0.318470703422E+03 -0.87960E-05 -0.33140E-05 2727 0.173E-02 7673 T= 6634. E= 0.67570477E+03 F= 0.63779829E+03 E0= 0.66679689E+03 EK= 0.54025E+02 SP= -.16E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318592871907E+03 -0.12218E+00 -0.12842E-01 8496 0.243E+01 0.292E-01 RMM: 2 -0.318616194783E+03 -0.23323E-01 -0.11054E-01 5067 0.770E-01 0.147E+00 RMM: 3 -0.318601595199E+03 0.14600E-01 -0.14059E-02 5430 0.268E-01 0.326E-01 RMM: 4 -0.318600903516E+03 0.69168E-03 -0.16154E-03 4814 0.845E-02 0.117E-01 RMM: 5 -0.318600917622E+03 -0.14105E-04 -0.24887E-04 3892 0.389E-02 0.138E-01 RMM: 6 -0.318600792475E+03 0.12515E-03 -0.72699E-05 3481 0.246E-02 0.426E-02 RMM: 7 -0.318600793418E+03 -0.94221E-06 -0.23071E-05 2563 0.145E-02 7674 T= 6688. E= 0.67570727E+03 F= 0.63766820E+03 E0= 0.66668844E+03 EK= 0.54461E+02 SP= -.17E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318526430991E+03 0.74361E-01 -0.13158E-01 8320 0.244E+01 0.259E-01 RMM: 2 -0.318551524711E+03 -0.25094E-01 -0.11698E-01 5069 0.779E-01 0.150E+00 RMM: 3 -0.318535791182E+03 0.15734E-01 -0.13456E-02 5484 0.253E-01 0.248E-01 RMM: 4 -0.318535314324E+03 0.47686E-03 -0.12717E-03 4917 0.703E-02 0.921E-02 RMM: 5 -0.318535265616E+03 0.48708E-04 -0.14590E-04 3858 0.305E-02 0.838E-02 RMM: 6 -0.318535223843E+03 0.41774E-04 -0.30925E-05 2735 0.164E-02 0.532E-02 RMM: 7 -0.318535225278E+03 -0.14360E-05 -0.24244E-05 2556 0.150E-02 7675 T= 6717. E= 0.67571306E+03 F= 0.63773376E+03 E0= 0.66677147E+03 EK= 0.54699E+02 SP= -.17E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318354333141E+03 0.18089E+00 -0.12762E-01 8256 0.245E+01 0.231E-01 RMM: 2 -0.318373467817E+03 -0.19135E-01 -0.11445E-01 5002 0.779E-01 0.118E+00 RMM: 3 -0.318363812798E+03 0.96550E-02 -0.12942E-02 5641 0.238E-01 0.244E-01 RMM: 4 -0.318363334288E+03 0.47851E-03 -0.10776E-03 4774 0.687E-02 0.896E-02 RMM: 5 -0.318363316077E+03 0.18211E-04 -0.15565E-04 3898 0.307E-02 7676 T= 6732. E= 0.67572086E+03 F= 0.63790567E+03 E0= 0.66695738E+03 EK= 0.54825E+02 SP= -.17E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318185109146E+03 0.17823E+00 -0.13846E-01 7880 0.245E+01 0.184E-01 RMM: 2 -0.318202389995E+03 -0.17281E-01 -0.13756E-01 4943 0.853E-01 0.847E-01 RMM: 3 -0.318197236070E+03 0.51539E-02 -0.15755E-02 6033 0.233E-01 0.226E-01 RMM: 4 -0.318196641485E+03 0.59459E-03 -0.75972E-04 4897 0.613E-02 0.929E-02 RMM: 5 -0.318196591754E+03 0.49731E-04 -0.10411E-04 3996 0.256E-02 0.831E-02 RMM: 6 -0.318196567004E+03 0.24750E-04 -0.25947E-05 2562 0.152E-02 0.741E-02 RMM: 7 -0.318196580084E+03 -0.13081E-04 -0.16349E-04 3892 0.299E-02 7677 T= 6747. E= 0.67572822E+03 F= 0.63807241E+03 E0= 0.66713563E+03 EK= 0.54947E+02 SP= -.17E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318132226823E+03 0.64340E-01 -0.14235E-01 7744 0.246E+01 0.267E-01 RMM: 2 -0.318153317673E+03 -0.21091E-01 -0.14466E-01 4827 0.901E-01 0.113E+00 RMM: 3 -0.318144119567E+03 0.91981E-02 -0.16946E-02 5639 0.264E-01 0.252E-01 RMM: 4 -0.318143663409E+03 0.45616E-03 -0.14352E-03 4964 0.830E-02 0.150E-01 RMM: 5 -0.318143608957E+03 0.54452E-04 -0.23245E-04 3953 0.341E-02 0.126E-01 RMM: 6 -0.318143508304E+03 0.10065E-03 -0.61297E-05 3348 0.225E-02 0.344E-02 RMM: 7 -0.318143518393E+03 -0.10089E-04 -0.23422E-05 2545 0.145E-02 7678 T= 6775. E= 0.67573373E+03 F= 0.63812547E+03 E0= 0.66719806E+03 EK= 0.55172E+02 SP= -.18E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318277704461E+03 -0.13420E+00 -0.14000E-01 7752 0.247E+01 0.190E-01 RMM: 2 -0.318295067245E+03 -0.17363E-01 -0.13339E-01 4955 0.854E-01 0.915E-01 RMM: 3 -0.318289348692E+03 0.57186E-02 -0.15185E-02 5927 0.230E-01 0.175E-01 RMM: 4 -0.318288947322E+03 0.40137E-03 -0.76469E-04 4870 0.611E-02 0.105E-01 RMM: 5 -0.318288871935E+03 0.75387E-04 -0.11575E-04 3839 0.283E-02 0.694E-02 RMM: 6 -0.318288846099E+03 0.25836E-04 -0.27397E-05 2580 0.155E-02 0.504E-02 RMM: 7 -0.318288841202E+03 0.48970E-05 -0.40124E-05 2823 0.183E-02 7679 T= 6826. E= 0.67573593E+03 F= 0.63798015E+03 E0= 0.66706078E+03 EK= 0.55583E+02 SP= -.18E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318661163488E+03 -0.37232E+00 -0.12989E-01 7720 0.248E+01 0.195E-01 RMM: 2 -0.318676680941E+03 -0.15517E-01 -0.11295E-01 4907 0.801E-01 0.924E-01 RMM: 3 -0.318670778723E+03 0.59022E-02 -0.12956E-02 5725 0.229E-01 0.179E-01 RMM: 4 -0.318670469615E+03 0.30911E-03 -0.76375E-04 4947 0.582E-02 0.789E-02 RMM: 5 -0.318670447610E+03 0.22005E-04 -0.10655E-04 3709 0.281E-02 0.805E-02 RMM: 6 -0.318670411513E+03 0.36097E-04 -0.31178E-05 2755 0.170E-02 0.421E-02 RMM: 7 -0.318670417295E+03 -0.57821E-05 -0.26065E-05 2565 0.154E-02 7680 T= 6903. E= 0.67573449E+03 F= 0.63759857E+03 E0= 0.66668749E+03 EK= 0.56216E+02 SP= -.18E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319264602571E+03 -0.59419E+00 -0.13491E-01 7696 0.250E+01 0.202E-01 RMM: 2 -0.319281760913E+03 -0.17158E-01 -0.12066E-01 4971 0.820E-01 0.101E+00 RMM: 3 -0.319274843177E+03 0.69177E-02 -0.13161E-02 5746 0.224E-01 0.188E-01 RMM: 4 -0.319274514680E+03 0.32850E-03 -0.81132E-04 4759 0.638E-02 0.114E-01 RMM: 5 -0.319274442010E+03 0.72670E-04 -0.13318E-04 3820 0.308E-02 0.753E-02 RMM: 6 -0.319274407920E+03 0.34090E-04 -0.33661E-05 2894 0.174E-02 0.393E-02 RMM: 7 -0.319274407713E+03 0.20792E-06 -0.23564E-05 2519 0.150E-02 7681 T= 7006. E= 0.67573008E+03 F= 0.63699458E+03 E0= 0.66609141E+03 EK= 0.57055E+02 SP= -.18E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320031941245E+03 -0.75753E+00 -0.13917E-01 7784 0.252E+01 0.226E-01 RMM: 2 -0.320048875534E+03 -0.16934E-01 -0.12457E-01 4916 0.852E-01 0.938E-01 RMM: 3 -0.320042511155E+03 0.63644E-02 -0.14382E-02 5643 0.245E-01 0.235E-01 RMM: 4 -0.320042063108E+03 0.44805E-03 -0.98111E-04 4769 0.678E-02 0.918E-02 RMM: 5 -0.320042029007E+03 0.34102E-04 -0.14489E-04 3924 0.304E-02 0.946E-02 RMM: 6 -0.320041976315E+03 0.52691E-04 -0.36181E-05 2887 0.183E-02 0.414E-02 RMM: 7 -0.320041977636E+03 -0.13206E-05 -0.20968E-05 2523 0.139E-02 7682 T= 7127. E= 0.67572393E+03 F= 0.63622701E+03 E0= 0.66533148E+03 EK= 0.58038E+02 SP= -.19E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320876869191E+03 -0.83489E+00 -0.14979E-01 7816 0.253E+01 0.212E-01 RMM: 2 -0.320895679054E+03 -0.18810E-01 -0.13686E-01 4831 0.898E-01 0.101E+00 RMM: 3 -0.320888699502E+03 0.69796E-02 -0.15891E-02 5821 0.248E-01 0.222E-01 RMM: 4 -0.320888194682E+03 0.50482E-03 -0.93205E-04 4757 0.700E-02 0.988E-02 RMM: 5 -0.320888152211E+03 0.42471E-04 -0.14715E-04 3883 0.329E-02 0.825E-02 RMM: 6 -0.320888113154E+03 0.39057E-04 -0.32124E-05 2751 0.169E-02 0.443E-02 RMM: 7 -0.320888113056E+03 0.98564E-07 -0.20131E-05 2514 0.141E-02 7683 T= 7255. E= 0.67571828E+03 F= 0.63538088E+03 E0= 0.66449246E+03 EK= 0.59078E+02 SP= -.19E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321717744359E+03 -0.82963E+00 -0.13879E-01 7912 0.255E+01 0.216E-01 RMM: 2 -0.321733791687E+03 -0.16047E-01 -0.11686E-01 4962 0.823E-01 0.938E-01 RMM: 3 -0.321727647894E+03 0.61438E-02 -0.13108E-02 5739 0.232E-01 0.199E-01 RMM: 4 -0.321727330541E+03 0.31735E-03 -0.86618E-04 4685 0.662E-02 0.129E-01 RMM: 5 -0.321727236592E+03 0.93949E-04 -0.14770E-04 3880 0.328E-02 0.881E-02 RMM: 6 -0.321727190578E+03 0.46014E-04 -0.38470E-05 2988 0.185E-02 0.438E-02 RMM: 7 -0.321727188186E+03 0.23917E-05 -0.22017E-05 2530 0.142E-02 7684 T= 7378. E= 0.67571406E+03 F= 0.63454180E+03 E0= 0.66365923E+03 EK= 0.60083E+02 SP= -.19E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322480866552E+03 -0.75368E+00 -0.14985E-01 7792 0.256E+01 0.227E-01 RMM: 2 -0.322500547959E+03 -0.19681E-01 -0.14387E-01 4888 0.913E-01 0.103E+00 RMM: 3 -0.322493231361E+03 0.73166E-02 -0.16702E-02 5857 0.252E-01 0.222E-01 RMM: 4 -0.322492718320E+03 0.51304E-03 -0.10011E-03 4783 0.718E-02 0.118E-01 RMM: 5 -0.322492644933E+03 0.73387E-04 -0.16163E-04 3905 0.343E-02 0.852E-02 RMM: 6 -0.322492604131E+03 0.40801E-04 -0.35033E-05 2839 0.175E-02 0.494E-02 RMM: 7 -0.322492603216E+03 0.91553E-06 -0.22383E-05 2529 0.145E-02 7685 T= 7488. E= 0.67571158E+03 F= 0.63377639E+03 E0= 0.66289738E+03 EK= 0.60981E+02 SP= -.19E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323135072231E+03 -0.64247E+00 -0.14076E-01 7768 0.257E+01 0.210E-01 RMM: 2 -0.323152227098E+03 -0.17155E-01 -0.12779E-01 4917 0.858E-01 0.941E-01 RMM: 3 -0.323146081599E+03 0.61455E-02 -0.14818E-02 5853 0.235E-01 0.191E-01 RMM: 4 -0.323145722061E+03 0.35954E-03 -0.85147E-04 4695 0.676E-02 0.134E-01 RMM: 5 -0.323145610780E+03 0.11128E-03 -0.14507E-04 3871 0.330E-02 0.772E-02 RMM: 6 -0.323145579619E+03 0.31161E-04 -0.36799E-05 2952 0.179E-02 0.480E-02 RMM: 7 -0.323145575076E+03 0.45422E-05 -0.28042E-05 2569 0.158E-02 7686 T= 7580. E= 0.67571107E+03 F= 0.63312341E+03 E0= 0.66224482E+03 EK= 0.61726E+02 SP= -.19E+02 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323665474436E+03 -0.51989E+00 -0.13800E-01 7792 0.258E+01 0.208E-01 RMM: 2 -0.323682357023E+03 -0.16883E-01 -0.12433E-01 4961 0.844E-01 0.960E-01 RMM: 3 -0.323675951673E+03 0.64053E-02 -0.13968E-02 5909 0.227E-01 0.180E-01 RMM: 4 -0.323675619857E+03 0.33182E-03 -0.79162E-04 4676 0.670E-02 0.136E-01 RMM: 5 -0.323675506835E+03 0.11302E-03 -0.13791E-04 3852 0.320E-02 0.802E-02 RMM: 6 -0.323675472469E+03 0.34366E-04 -0.31930E-05 2795 0.171E-02 0.494E-02 RMM: 7 -0.323675469797E+03 0.26717E-05 -0.24468E-05 2544 0.148E-02 7687 T= 7651. E= 0.67571150E+03 F= 0.63259352E+03 E0= 0.66171070E+03 EK= 0.62302E+02 SP= -.19E+02 SK= 0.56E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.324082062147E+03 -0.40659E+00 -0.13974E-01 7824 0.258E+01 0.186E-01 RMM: 2 -0.324096697677E+03 -0.14636E-01 -0.11374E-01 5030 0.795E-01 0.840E-01 RMM: 3 -0.324091583138E+03 0.51145E-02 -0.11942E-02 5923 0.211E-01 0.173E-01 RMM: 4 -0.324091282273E+03 0.30086E-03 -0.63752E-04 4676 0.588E-02 0.115E-01 RMM: 5 -0.324091194544E+03 0.87729E-04 -0.10574E-04 3703 0.282E-02 0.680E-02 RMM: 6 -0.324091173149E+03 0.21394E-04 -0.29172E-05 2717 0.163E-02 0.490E-02 RMM: 7 -0.324091171286E+03 0.18632E-05 -0.31275E-05 2616 0.159E-02 7688 T= 7701. E= 0.67571288E+03 F= 0.63217782E+03 E0= 0.66128544E+03 EK= 0.62712E+02 SP= -.19E+02 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324408224792E+03 -0.31705E+00 -0.14618E-01 7688 0.259E+01 0.191E-01 RMM: 2 -0.324424057557E+03 -0.15833E-01 -0.12429E-01 4969 0.828E-01 0.867E-01 RMM: 3 -0.324418634903E+03 0.54227E-02 -0.13304E-02 5951 0.220E-01 0.172E-01 RMM: 4 -0.324418321707E+03 0.31320E-03 -0.68648E-04 4713 0.615E-02 0.119E-01 RMM: 5 -0.324418231374E+03 0.90333E-04 -0.11231E-04 3724 0.286E-02 0.748E-02 RMM: 6 -0.324418201954E+03 0.29420E-04 -0.30084E-05 2762 0.167E-02 0.440E-02 RMM: 7 -0.324418202016E+03 -0.62164E-07 -0.21964E-05 2537 0.138E-02 7689 T= 7734. E= 0.67571450E+03 F= 0.63185079E+03 E0= 0.66094242E+03 EK= 0.62980E+02 SP= -.19E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324679170769E+03 -0.26097E+00 -0.15323E-01 7552 0.259E+01 0.177E-01 RMM: 2 -0.324694415628E+03 -0.15245E-01 -0.12509E-01 5042 0.821E-01 0.792E-01 RMM: 3 -0.324689727360E+03 0.46883E-02 -0.12859E-02 5994 0.215E-01 0.175E-01 RMM: 4 -0.324689395761E+03 0.33160E-03 -0.60916E-04 4679 0.578E-02 0.103E-01 RMM: 5 -0.324689327985E+03 0.67776E-04 -0.96389E-05 3614 0.270E-02 0.702E-02 RMM: 6 -0.324689303742E+03 0.24242E-04 -0.29513E-05 2723 0.167E-02 0.471E-02 RMM: 7 -0.324689302162E+03 0.15803E-05 -0.36189E-05 2657 0.170E-02 7690 T= 7753. E= 0.67571618E+03 F= 0.63157969E+03 E0= 0.66064915E+03 EK= 0.63136E+02 SP= -.19E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324927539254E+03 -0.23824E+00 -0.16509E-01 7424 0.259E+01 0.193E-01 RMM: 2 -0.324944544286E+03 -0.17005E-01 -0.14508E-01 4947 0.894E-01 0.789E-01 RMM: 3 -0.324939804282E+03 0.47400E-02 -0.15760E-02 6002 0.237E-01 0.151E-01 RMM: 4 -0.324939524352E+03 0.27993E-03 -0.73314E-04 4829 0.620E-02 0.130E-01 RMM: 5 -0.324939419924E+03 0.10443E-03 -0.10956E-04 3740 0.288E-02 0.792E-02 RMM: 6 -0.324939386333E+03 0.33590E-04 -0.32822E-05 2820 0.175E-02 0.433E-02 RMM: 7 -0.324939386484E+03 -0.15012E-06 -0.26603E-05 2568 0.152E-02 7691 T= 7762. E= 0.67571845E+03 F= 0.63132960E+03 E0= 0.66037102E+03 EK= 0.63213E+02 SP= -.19E+02 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325191775280E+03 -0.25239E+00 -0.16130E-01 7672 0.259E+01 0.185E-01 RMM: 2 -0.325208776081E+03 -0.17001E-01 -0.14442E-01 4936 0.894E-01 0.782E-01 RMM: 3 -0.325204233594E+03 0.45425E-02 -0.15762E-02 6051 0.234E-01 0.181E-01 RMM: 4 -0.325203844268E+03 0.38933E-03 -0.70682E-04 4721 0.641E-02 0.111E-01 RMM: 5 -0.325203767164E+03 0.77104E-04 -0.10940E-04 3673 0.292E-02 0.724E-02 RMM: 6 -0.325203742906E+03 0.24258E-04 -0.30160E-05 2695 0.167E-02 0.482E-02 RMM: 7 -0.325203746570E+03 -0.36642E-05 -0.31203E-05 2617 0.162E-02 7692 T= 7767. E= 0.67572013E+03 F= 0.63106524E+03 E0= 0.66007467E+03 EK= 0.63247E+02 SP= -.19E+02 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325495337699E+03 -0.29159E+00 -0.16422E-01 7672 0.260E+01 0.204E-01 RMM: 2 -0.325514651450E+03 -0.19314E-01 -0.15577E-01 4812 0.950E-01 0.884E-01 RMM: 3 -0.325508903830E+03 0.57476E-02 -0.18302E-02 5933 0.257E-01 0.178E-01 RMM: 4 -0.325508521330E+03 0.38250E-03 -0.88568E-04 4824 0.696E-02 0.123E-01 RMM: 5 -0.325508433932E+03 0.87397E-04 -0.13396E-04 3837 0.317E-02 0.764E-02 RMM: 6 -0.325508402155E+03 0.31777E-04 -0.33366E-05 2843 0.173E-02 0.418E-02 RMM: 7 -0.325508407005E+03 -0.48499E-05 -0.22502E-05 2527 0.146E-02 7693 T= 7768. E= 0.67572066E+03 F= 0.63076058E+03 E0= 0.65973584E+03 EK= 0.63261E+02 SP= -.18E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325849023603E+03 -0.34062E+00 -0.15555E-01 7552 0.260E+01 0.188E-01 RMM: 2 -0.325867118311E+03 -0.18095E-01 -0.15763E-01 4800 0.947E-01 0.767E-01 RMM: 3 -0.325862923661E+03 0.41946E-02 -0.18426E-02 6049 0.246E-01 0.167E-01 RMM: 4 -0.325862553261E+03 0.37040E-03 -0.83514E-04 4735 0.708E-02 0.130E-01 RMM: 5 -0.325862451444E+03 0.10182E-03 -0.13161E-04 3825 0.324E-02 0.715E-02 RMM: 6 -0.325862424563E+03 0.26881E-04 -0.32871E-05 2821 0.172E-02 0.421E-02 RMM: 7 -0.325862426465E+03 -0.19018E-05 -0.28366E-05 2568 0.160E-02 7694 T= 7769. E= 0.67571905E+03 F= 0.63040656E+03 E0= 0.65934685E+03 EK= 0.63265E+02 SP= -.18E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326233180833E+03 -0.37076E+00 -0.16515E-01 7560 0.260E+01 0.190E-01 RMM: 2 -0.326250191430E+03 -0.17011E-01 -0.14314E-01 4887 0.908E-01 0.794E-01 RMM: 3 -0.326245583224E+03 0.46082E-02 -0.16307E-02 5996 0.236E-01 0.155E-01 RMM: 4 -0.326245264639E+03 0.31858E-03 -0.76878E-04 4772 0.664E-02 0.131E-01 RMM: 5 -0.326245156975E+03 0.10766E-03 -0.12409E-04 3786 0.311E-02 0.683E-02 RMM: 6 -0.326245134044E+03 0.22931E-04 -0.30782E-05 2765 0.167E-02 0.435E-02 RMM: 7 -0.326245136384E+03 -0.23397E-05 -0.26248E-05 2558 0.154E-02 7695 T= 7766. E= 0.67571589E+03 F= 0.63002385E+03 E0= 0.65892982E+03 EK= 0.63238E+02 SP= -.18E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326598431819E+03 -0.35330E+00 -0.16262E-01 7776 0.261E+01 0.186E-01 RMM: 2 -0.326613180619E+03 -0.14749E-01 -0.12798E-01 4893 0.856E-01 0.726E-01 RMM: 3 -0.326609454031E+03 0.37266E-02 -0.14663E-02 6007 0.227E-01 0.150E-01 RMM: 4 -0.326609175102E+03 0.27893E-03 -0.67538E-04 4726 0.621E-02 0.141E-01 RMM: 5 -0.326609049370E+03 0.12573E-03 -0.11653E-04 3759 0.311E-02 0.682E-02 RMM: 6 -0.326609028963E+03 0.20407E-04 -0.29699E-05 2678 0.163E-02 0.465E-02 RMM: 7 -0.326609028406E+03 0.55756E-06 -0.28484E-05 2600 0.158E-02 7696 T= 7753. E= 0.67571154E+03 F= 0.62965996E+03 E0= 0.65853238E+03 EK= 0.63133E+02 SP= -.17E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326877711127E+03 -0.26868E+00 -0.15151E-01 8000 0.261E+01 0.191E-01 RMM: 2 -0.326891638440E+03 -0.13927E-01 -0.11444E-01 5088 0.799E-01 0.778E-01 RMM: 3 -0.326887300294E+03 0.43381E-02 -0.11914E-02 5901 0.210E-01 0.161E-01 RMM: 4 -0.326887055740E+03 0.24455E-03 -0.67307E-04 4702 0.612E-02 0.138E-01 RMM: 5 -0.326886928662E+03 0.12708E-03 -0.11701E-04 3750 0.294E-02 0.692E-02 RMM: 6 -0.326886910800E+03 0.17863E-04 -0.27623E-05 2658 0.160E-02 7697 T= 7722. E= 0.67570724E+03 F= 0.62938208E+03 E0= 0.65822158E+03 EK= 0.62887E+02 SP= -.17E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326994972643E+03 -0.10804E+00 -0.15454E-01 8024 0.261E+01 0.229E-01 RMM: 2 -0.327015985841E+03 -0.21013E-01 -0.13220E-01 5071 0.849E-01 0.117E+00 RMM: 3 -0.327006239702E+03 0.97461E-02 -0.14420E-02 5595 0.248E-01 0.232E-01 RMM: 4 -0.327005816766E+03 0.42294E-03 -0.10568E-03 4796 0.693E-02 0.112E-01 RMM: 5 -0.327005739302E+03 0.77464E-04 -0.13734E-04 4062 0.297E-02 0.832E-02 RMM: 6 -0.327005715776E+03 0.23525E-04 -0.29781E-05 2667 0.163E-02 0.721E-02 RMM: 7 -0.327005726909E+03 -0.11132E-04 -0.69406E-05 3568 0.226E-02 7698 T= 7666. E= 0.67570312E+03 F= 0.62926326E+03 E0= 0.65807109E+03 EK= 0.62430E+02 SP= -.17E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326890359806E+03 0.11536E+00 -0.15470E-01 8200 0.261E+01 0.263E-01 RMM: 2 -0.326910219526E+03 -0.19860E-01 -0.12093E-01 4929 0.833E-01 0.121E+00 RMM: 3 -0.326900147825E+03 0.10072E-01 -0.14575E-02 5567 0.262E-01 0.268E-01 RMM: 4 -0.326899683707E+03 0.46412E-03 -0.13581E-03 4841 0.833E-02 0.140E-01 RMM: 5 -0.326899600535E+03 0.83172E-04 -0.20846E-04 3885 0.363E-02 0.104E-01 RMM: 6 -0.326899534688E+03 0.65847E-04 -0.46515E-05 3138 0.208E-02 0.405E-02 RMM: 7 -0.326899538500E+03 -0.38122E-05 -0.20715E-05 2537 0.139E-02 7699 T= 7577. E= 0.67570007E+03 F= 0.62936945E+03 E0= 0.65814724E+03 EK= 0.61702E+02 SP= -.16E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326510305169E+03 0.38923E+00 -0.16350E-01 8616 0.259E+01 0.211E-01 RMM: 2 -0.326529695405E+03 -0.19390E-01 -0.12790E-01 4988 0.811E-01 0.108E+00 RMM: 3 -0.326520957304E+03 0.87381E-02 -0.13132E-02 5601 0.242E-01 0.191E-01 RMM: 4 -0.326520673675E+03 0.28363E-03 -0.90214E-04 4802 0.643E-02 0.115E-01 RMM: 5 -0.326520583174E+03 0.90502E-04 -0.11947E-04 3845 0.297E-02 0.774E-02 RMM: 6 -0.326520559218E+03 0.23956E-04 -0.31554E-05 2714 0.166E-02 0.643E-02 RMM: 7 -0.326520556640E+03 0.25785E-05 -0.38872E-05 2688 0.178E-02 7700 T= 7449. E= 0.67569844E+03 F= 0.62974843E+03 E0= 0.65849844E+03 EK= 0.60663E+02 SP= -.15E+02 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325834566700E+03 0.68599E+00 -0.16025E-01 8640 0.257E+01 0.200E-01 RMM: 2 -0.325852200669E+03 -0.17634E-01 -0.13343E-01 4901 0.838E-01 0.923E-01 RMM: 3 -0.325845725674E+03 0.64750E-02 -0.14313E-02 5819 0.245E-01 0.185E-01 RMM: 4 -0.325845419621E+03 0.30605E-03 -0.82368E-04 4880 0.628E-02 0.103E-01 RMM: 5 -0.325845370133E+03 0.49488E-04 -0.11521E-04 3743 0.294E-02 0.782E-02 RMM: 6 -0.325845338234E+03 0.31898E-04 -0.30612E-05 2731 0.167E-02 0.435E-02 RMM: 7 -0.325845344325E+03 -0.60906E-05 -0.21450E-05 2552 0.142E-02 7701 T= 7282. E= 0.67569851E+03 F= 0.63042364E+03 E0= 0.65914917E+03 EK= 0.59302E+02 SP= -.15E+02 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324864562079E+03 0.98078E+00 -0.16280E-01 8664 0.255E+01 0.175E-01 RMM: 2 -0.324883265092E+03 -0.18703E-01 -0.15619E-01 4882 0.897E-01 0.805E-01 RMM: 3 -0.324878127645E+03 0.51374E-02 -0.16404E-02 6029 0.244E-01 0.155E-01 RMM: 4 -0.324877797859E+03 0.32979E-03 -0.77902E-04 4746 0.663E-02 0.128E-01 RMM: 5 -0.324877691544E+03 0.10631E-03 -0.12927E-04 3800 0.316E-02 0.665E-02 RMM: 6 -0.324877670943E+03 0.20600E-04 -0.30341E-05 2694 0.163E-02 0.459E-02 RMM: 7 -0.324877672650E+03 -0.17064E-05 -0.28238E-05 2604 0.157E-02 7702 T= 7077. E= 0.67570083E+03 F= 0.63139132E+03 E0= 0.66009669E+03 EK= 0.57635E+02 SP= -.14E+02 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323639390639E+03 0.12383E+01 -0.16245E-01 8408 0.251E+01 0.199E-01 RMM: 2 -0.323658395694E+03 -0.19005E-01 -0.15323E-01 5100 0.871E-01 0.874E-01 RMM: 3 -0.323652022923E+03 0.63728E-02 -0.14274E-02 5887 0.239E-01 0.134E-01 RMM: 4 -0.323651838995E+03 0.18393E-03 -0.78243E-04 4925 0.606E-02 0.128E-01 RMM: 5 -0.323651738585E+03 0.10041E-03 -0.10917E-04 3766 0.280E-02 0.751E-02 RMM: 6 -0.323651709250E+03 0.29335E-04 -0.32398E-05 2781 0.172E-02 0.451E-02 RMM: 7 -0.323651713900E+03 -0.46499E-05 -0.37102E-05 2677 0.176E-02 7703 T= 6841. E= 0.67570557E+03 F= 0.63261728E+03 E0= 0.66130753E+03 EK= 0.55710E+02 SP= -.14E+02 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322222688172E+03 0.14290E+01 -0.15987E-01 8448 0.247E+01 0.187E-01 RMM: 2 -0.322239876870E+03 -0.17189E-01 -0.14176E-01 5120 0.837E-01 0.816E-01 RMM: 3 -0.322234566275E+03 0.53106E-02 -0.12915E-02 6123 0.220E-01 0.158E-01 RMM: 4 -0.322234291989E+03 0.27429E-03 -0.67866E-04 4682 0.626E-02 0.130E-01 RMM: 5 -0.322234184539E+03 0.10745E-03 -0.11933E-04 3728 0.297E-02 0.682E-02 RMM: 6 -0.322234163554E+03 0.20985E-04 -0.27381E-05 2670 0.160E-02 0.431E-02 RMM: 7 -0.322234169005E+03 -0.54510E-05 -0.24404E-05 2569 0.148E-02 7704 T= 6583. E= 0.67571262E+03 F= 0.63403482E+03 E0= 0.66271654E+03 EK= 0.53607E+02 SP= -.13E+02 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320710543773E+03 0.15236E+01 -0.15314E-01 8600 0.242E+01 0.189E-01 RMM: 2 -0.320726160395E+03 -0.15617E-01 -0.13381E-01 5309 0.803E-01 0.737E-01 RMM: 3 -0.320721453312E+03 0.47071E-02 -0.11348E-02 6030 0.206E-01 0.124E-01 RMM: 4 -0.320721318038E+03 0.13527E-03 -0.61189E-04 4714 0.560E-02 0.148E-01 RMM: 5 -0.320721172291E+03 0.14575E-03 -0.10805E-04 3680 0.279E-02 0.671E-02 RMM: 6 -0.320721152464E+03 0.19827E-04 -0.28184E-05 2663 0.160E-02 7705 T= 6316. E= 0.67572165E+03 F= 0.63554784E+03 E0= 0.66422928E+03 EK= 0.51434E+02 SP= -.12E+02 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319221723596E+03 0.14994E+01 -0.14953E-01 8608 0.237E+01 0.245E-01 RMM: 2 -0.319243292643E+03 -0.21569E-01 -0.13146E-01 5189 0.812E-01 0.123E+00 RMM: 3 -0.319232420175E+03 0.10872E-01 -0.13283E-02 5679 0.239E-01 0.212E-01 RMM: 4 -0.319232038820E+03 0.38136E-03 -0.10153E-03 4783 0.667E-02 0.109E-01 RMM: 5 -0.319231968525E+03 0.70294E-04 -0.13279E-04 3888 0.285E-02 0.830E-02 RMM: 6 -0.319231936159E+03 0.32366E-04 -0.32211E-05 2832 0.173E-02 0.558E-02 RMM: 7 -0.319231946029E+03 -0.98694E-05 -0.31064E-05 2685 0.162E-02 7706 T= 6056. E= 0.67573134E+03 F= 0.63703704E+03 E0= 0.66572769E+03 EK= 0.49320E+02 SP= -.11E+02 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317886273467E+03 0.13457E+01 -0.13558E-01 8576 0.233E+01 0.280E-01 RMM: 2 -0.317910890711E+03 -0.24617E-01 -0.12306E-01 5159 0.810E-01 0.146E+00 RMM: 3 -0.317896087612E+03 0.14803E-01 -0.13404E-02 5556 0.249E-01 0.267E-01 RMM: 4 -0.317895553284E+03 0.53433E-03 -0.14150E-03 4732 0.822E-02 0.124E-01 RMM: 5 -0.317895517641E+03 0.35644E-04 -0.20289E-04 3895 0.348E-02 0.112E-01 RMM: 6 -0.317895435992E+03 0.81649E-04 -0.51827E-05 3235 0.216E-02 0.406E-02 RMM: 7 -0.317895436469E+03 -0.47718E-06 -0.19098E-05 2519 0.135E-02 7707 T= 5821. E= 0.67574033E+03 F= 0.63837355E+03 E0= 0.66708240E+03 EK= 0.47399E+02 SP= -.11E+02 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316821099578E+03 0.10743E+01 -0.12983E-01 8384 0.229E+01 0.214E-01 RMM: 2 -0.316839858152E+03 -0.18759E-01 -0.12463E-01 5090 0.799E-01 0.108E+00 RMM: 3 -0.316831632129E+03 0.82260E-02 -0.13159E-02 5732 0.230E-01 0.194E-01 RMM: 4 -0.316831277184E+03 0.35495E-03 -0.89558E-04 4839 0.630E-02 0.106E-01 RMM: 5 -0.316831204940E+03 0.72245E-04 -0.12214E-04 3855 0.280E-02 0.806E-02 RMM: 6 -0.316831172349E+03 0.32591E-04 -0.28682E-05 2711 0.163E-02 0.533E-02 RMM: 7 -0.316831172477E+03 -0.12763E-06 -0.24727E-05 2608 0.145E-02 7708 T= 5623. E= 0.67574771E+03 F= 0.63943782E+03 E0= 0.66817508E+03 EK= 0.45793E+02 SP= -.10E+02 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316127036610E+03 0.70414E+00 -0.12184E-01 8472 0.225E+01 0.200E-01 RMM: 2 -0.316142157268E+03 -0.15121E-01 -0.10329E-01 5208 0.722E-01 0.963E-01 RMM: 3 -0.316135578294E+03 0.65790E-02 -0.10003E-02 5669 0.205E-01 0.203E-01 RMM: 4 -0.316135243151E+03 0.33514E-03 -0.78009E-04 4817 0.584E-02 0.899E-02 RMM: 5 -0.316135205041E+03 0.38110E-04 -0.10281E-04 3726 0.261E-02 0.745E-02 RMM: 6 -0.316135175953E+03 0.29088E-04 -0.26225E-05 2721 0.158E-02 0.453E-02 RMM: 7 -0.316135177640E+03 -0.16870E-05 -0.19890E-05 2546 0.136E-02 7709 T= 5476. E= 0.67575254E+03 F= 0.64013381E+03 E0= 0.66890513E+03 EK= 0.44597E+02 SP= -.96E+01 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315858766936E+03 0.27641E+00 -0.12110E-01 7888 0.223E+01 0.191E-01 RMM: 2 -0.315874253407E+03 -0.15486E-01 -0.12017E-01 5000 0.794E-01 0.856E-01 RMM: 3 -0.315869067065E+03 0.51863E-02 -0.13416E-02 5959 0.215E-01 0.165E-01 RMM: 4 -0.315868729281E+03 0.33778E-03 -0.76045E-04 4797 0.622E-02 0.113E-01 RMM: 5 -0.315868656415E+03 0.72866E-04 -0.11431E-04 3756 0.276E-02 0.749E-02 RMM: 6 -0.315868626401E+03 0.30014E-04 -0.26632E-05 2661 0.158E-02 0.448E-02 RMM: 7 -0.315868625373E+03 0.10276E-05 -0.19953E-05 2542 0.135E-02 7710 T= 5387. E= 0.67575439E+03 F= 0.64040036E+03 E0= 0.66921092E+03 EK= 0.43872E+02 SP= -.91E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316043822664E+03 -0.17520E+00 -0.11739E-01 7808 0.222E+01 0.199E-01 RMM: 2 -0.316059823975E+03 -0.16001E-01 -0.11671E-01 5070 0.776E-01 0.926E-01 RMM: 3 -0.316053733896E+03 0.60901E-02 -0.12747E-02 5780 0.216E-01 0.187E-01 RMM: 4 -0.316053368574E+03 0.36532E-03 -0.79278E-04 4839 0.598E-02 0.903E-02 RMM: 5 -0.316053331040E+03 0.37533E-04 -0.10710E-04 3778 0.264E-02 0.787E-02 RMM: 6 -0.316053295725E+03 0.35316E-04 -0.27548E-05 2724 0.161E-02 0.429E-02 RMM: 7 -0.316053298020E+03 -0.22955E-05 -0.20755E-05 2543 0.138E-02 7711 T= 5358. E= 0.67575337E+03 F= 0.64021569E+03 E0= 0.66906653E+03 EK= 0.43635E+02 SP= -.86E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316665181720E+03 -0.61189E+00 -0.11323E-01 7736 0.222E+01 0.213E-01 RMM: 2 -0.316680443820E+03 -0.15262E-01 -0.10331E-01 5019 0.752E-01 0.975E-01 RMM: 3 -0.316673690402E+03 0.67534E-02 -0.11686E-02 5747 0.215E-01 0.188E-01 RMM: 4 -0.316673355195E+03 0.33521E-03 -0.81954E-04 4772 0.627E-02 0.979E-02 RMM: 5 -0.316673320116E+03 0.35080E-04 -0.12065E-04 3782 0.273E-02 0.857E-02 RMM: 6 -0.316673275792E+03 0.44324E-04 -0.30731E-05 2838 0.171E-02 0.372E-02 RMM: 7 -0.316673277065E+03 -0.12728E-05 -0.15274E-05 2497 0.121E-02 7712 T= 5387. E= 0.67575008E+03 F= 0.63959571E+03 E0= 0.66848674E+03 EK= 0.43868E+02 SP= -.81E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317674866426E+03 -0.10016E+01 -0.11394E-01 7856 0.223E+01 0.197E-01 RMM: 2 -0.317687719083E+03 -0.12853E-01 -0.90529E-02 5107 0.703E-01 0.886E-01 RMM: 3 -0.317682231022E+03 0.54881E-02 -0.97606E-03 5747 0.202E-01 0.166E-01 RMM: 4 -0.317682000945E+03 0.23008E-03 -0.66659E-04 4750 0.553E-02 0.105E-01 RMM: 5 -0.317681941485E+03 0.59460E-04 -0.99984E-05 3685 0.266E-02 0.756E-02 RMM: 6 -0.317681906815E+03 0.34670E-04 -0.29173E-05 2775 0.166E-02 0.380E-02 RMM: 7 -0.317681907106E+03 -0.29064E-06 -0.24069E-05 2541 0.147E-02 7713 T= 5467. E= 0.67574510E+03 F= 0.63858708E+03 E0= 0.66751543E+03 EK= 0.44519E+02 SP= -.77E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319003655596E+03 -0.13217E+01 -0.11650E-01 7896 0.226E+01 0.199E-01 RMM: 2 -0.319018343510E+03 -0.14688E-01 -0.10950E-01 4983 0.782E-01 0.887E-01 RMM: 3 -0.319012872737E+03 0.54708E-02 -0.12315E-02 5853 0.215E-01 0.189E-01 RMM: 4 -0.319012494267E+03 0.37847E-03 -0.74228E-04 4788 0.611E-02 0.947E-02 RMM: 5 -0.319012448819E+03 0.45448E-04 -0.11348E-04 3729 0.272E-02 0.809E-02 RMM: 6 -0.319012411963E+03 0.36857E-04 -0.30659E-05 2803 0.172E-02 0.403E-02 RMM: 7 -0.319012413992E+03 -0.20296E-05 -0.19901E-05 2527 0.135E-02 7714 T= 5590. E= 0.67573897E+03 F= 0.63725658E+03 E0= 0.66621917E+03 EK= 0.45518E+02 SP= -.73E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320579823834E+03 -0.15674E+01 -0.11296E-01 8120 0.228E+01 0.173E-01 RMM: 2 -0.320592696161E+03 -0.12872E-01 -0.10310E-01 5122 0.738E-01 0.759E-01 RMM: 3 -0.320588499085E+03 0.41971E-02 -0.10676E-02 5945 0.196E-01 0.165E-01 RMM: 4 -0.320588217224E+03 0.28186E-03 -0.58651E-04 4695 0.541E-02 0.102E-01 RMM: 5 -0.320588142097E+03 0.75127E-04 -0.88219E-05 3604 0.252E-02 0.639E-02 RMM: 6 -0.320588124632E+03 0.17465E-04 -0.23722E-05 2566 0.148E-02 7715 T= 5745. E= 0.67573280E+03 F= 0.63568086E+03 E0= 0.66467265E+03 EK= 0.46784E+02 SP= -.70E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322320721221E+03 -0.17326E+01 -0.11600E-01 8088 0.231E+01 0.211E-01 RMM: 2 -0.322339721687E+03 -0.19000E-01 -0.12759E-01 4948 0.824E-01 0.108E+00 RMM: 3 -0.322331600508E+03 0.81212E-02 -0.14521E-02 5718 0.239E-01 0.210E-01 RMM: 4 -0.322331160674E+03 0.43983E-03 -0.96696E-04 4980 0.640E-02 0.852E-02 RMM: 5 -0.322331115747E+03 0.44927E-04 -0.11726E-04 3919 0.271E-02 0.744E-02 RMM: 6 -0.322331094120E+03 0.21627E-04 -0.24237E-05 2563 0.149E-02 0.581E-02 RMM: 7 -0.322331099199E+03 -0.50786E-05 -0.28192E-05 2645 0.159E-02 7716 T= 5923. E= 0.67572628E+03 F= 0.63393789E+03 E0= 0.66295511E+03 EK= 0.48235E+02 SP= -.66E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324152503752E+03 -0.18214E+01 -0.11566E-01 8040 0.234E+01 0.195E-01 RMM: 2 -0.324167611768E+03 -0.15108E-01 -0.11068E-01 4991 0.776E-01 0.897E-01 RMM: 3 -0.324161936989E+03 0.56748E-02 -0.12414E-02 5750 0.219E-01 0.199E-01 RMM: 4 -0.324161585014E+03 0.35198E-03 -0.87953E-04 4731 0.670E-02 0.118E-01 RMM: 5 -0.324161498549E+03 0.86465E-04 -0.13699E-04 3849 0.307E-02 0.708E-02 RMM: 6 -0.324161471543E+03 0.27007E-04 -0.26359E-05 2642 0.155E-02 0.401E-02 RMM: 7 -0.324161471817E+03 -0.27483E-06 -0.18331E-05 2517 0.134E-02 7717 T= 6113. E= 0.67571938E+03 F= 0.63210752E+03 E0= 0.66114583E+03 EK= 0.49784E+02 SP= -.63E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325984463750E+03 -0.18230E+01 -0.12032E-01 7840 0.238E+01 0.190E-01 RMM: 2 -0.326002769961E+03 -0.18306E-01 -0.13584E-01 4858 0.854E-01 0.968E-01 RMM: 3 -0.325996200022E+03 0.65699E-02 -0.15776E-02 5915 0.236E-01 0.165E-01 RMM: 4 -0.325995813642E+03 0.38638E-03 -0.81776E-04 5045 0.615E-02 0.961E-02 RMM: 5 -0.325995750476E+03 0.63166E-04 -0.11066E-04 3849 0.281E-02 0.726E-02 RMM: 6 -0.325995728254E+03 0.22222E-04 -0.26399E-05 2570 0.154E-02 0.547E-02 RMM: 7 -0.325995722482E+03 0.57722E-05 -0.25992E-05 2622 0.149E-02 7718 T= 6305. E= 0.67571161E+03 F= 0.63027327E+03 E0= 0.65932768E+03 EK= 0.51341E+02 SP= -.61E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327733214231E+03 -0.17375E+01 -0.11690E-01 7984 0.241E+01 0.163E-01 RMM: 2 -0.327747019582E+03 -0.13805E-01 -0.11524E-01 4938 0.785E-01 0.720E-01 RMM: 3 -0.327743103944E+03 0.39156E-02 -0.12501E-02 5899 0.210E-01 0.146E-01 RMM: 4 -0.327742819735E+03 0.28421E-03 -0.61708E-04 4840 0.552E-02 0.943E-02 RMM: 5 -0.327742754898E+03 0.64838E-04 -0.85849E-05 3643 0.264E-02 0.587E-02 RMM: 6 -0.327742742258E+03 0.12640E-04 -0.22392E-05 2550 0.140E-02 7719 T= 6485. E= 0.67570386E+03 F= 0.62852625E+03 E0= 0.65759278E+03 EK= 0.52810E+02 SP= -.58E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329299450694E+03 -0.15567E+01 -0.11676E-01 7784 0.244E+01 0.180E-01 RMM: 2 -0.329315514315E+03 -0.16064E-01 -0.12130E-01 4816 0.817E-01 0.884E-01 RMM: 3 -0.329310023609E+03 0.54907E-02 -0.14001E-02 5834 0.228E-01 0.182E-01 RMM: 4 -0.329309652203E+03 0.37141E-03 -0.75579E-04 4798 0.613E-02 0.938E-02 RMM: 5 -0.329309591928E+03 0.60275E-04 -0.10950E-04 3844 0.286E-02 0.682E-02 RMM: 6 -0.329309571865E+03 0.20063E-04 -0.26315E-05 2559 0.151E-02 0.554E-02 RMM: 7 -0.329309564755E+03 0.71093E-05 -0.29548E-05 2593 0.166E-02 7720 T= 6642. E= 0.67569646E+03 F= 0.62695942E+03 E0= 0.65603265E+03 EK= 0.54093E+02 SP= -.55E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330602933154E+03 -0.12934E+01 -0.11964E-01 7856 0.247E+01 0.214E-01 RMM: 2 -0.330618471827E+03 -0.15539E-01 -0.10810E-01 4840 0.802E-01 0.969E-01 RMM: 3 -0.330612104272E+03 0.63676E-02 -0.12905E-02 5692 0.233E-01 0.223E-01 RMM: 4 -0.330611693981E+03 0.41029E-03 -0.92410E-04 4744 0.679E-02 0.105E-01 RMM: 5 -0.330611635669E+03 0.58312E-04 -0.15367E-04 3884 0.331E-02 0.814E-02 RMM: 6 -0.330611595599E+03 0.40070E-04 -0.32669E-05 2760 0.173E-02 0.375E-02 RMM: 7 -0.330611593898E+03 0.17012E-05 -0.19366E-05 2503 0.140E-02 7721 T= 6766. E= 0.67569057E+03 F= 0.62565740E+03 E0= 0.65473002E+03 EK= 0.55101E+02 SP= -.52E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331574889893E+03 -0.96329E+00 -0.12894E-01 7784 0.249E+01 0.175E-01 RMM: 2 -0.331591011917E+03 -0.16122E-01 -0.13001E-01 4808 0.862E-01 0.835E-01 RMM: 3 -0.331586285766E+03 0.47262E-02 -0.15107E-02 5974 0.229E-01 0.160E-01 RMM: 4 -0.331585917352E+03 0.36841E-03 -0.69325E-04 4812 0.615E-02 0.108E-01 RMM: 5 -0.331585830325E+03 0.87028E-04 -0.11384E-04 3750 0.302E-02 0.659E-02 RMM: 6 -0.331585809825E+03 0.20499E-04 -0.29316E-05 2589 0.158E-02 0.497E-02 RMM: 7 -0.331585796292E+03 0.13534E-04 -0.29974E-05 2586 0.164E-02 7722 T= 6848. E= 0.67568752E+03 F= 0.62468319E+03 E0= 0.65374738E+03 EK= 0.55768E+02 SP= -.49E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332198451985E+03 -0.61264E+00 -0.12203E-01 7992 0.250E+01 0.170E-01 RMM: 2 -0.332210204613E+03 -0.11753E-01 -0.97795E-02 4985 0.741E-01 0.712E-01 RMM: 3 -0.332206707518E+03 0.34971E-02 -0.10766E-02 5916 0.200E-01 0.132E-01 RMM: 4 -0.332206484884E+03 0.22263E-03 -0.52906E-04 4828 0.503E-02 0.105E-01 RMM: 5 -0.332206403787E+03 0.81097E-04 -0.78900E-05 3548 0.260E-02 0.588E-02 RMM: 6 -0.332206389734E+03 0.14053E-04 -0.22861E-05 2548 0.141E-02 7723 T= 6885. E= 0.67568757E+03 F= 0.62406260E+03 E0= 0.65310956E+03 EK= 0.56069E+02 SP= -.46E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332482640821E+03 -0.27624E+00 -0.12488E-01 7784 0.250E+01 0.171E-01 RMM: 2 -0.332495833313E+03 -0.13192E-01 -0.10327E-01 4977 0.747E-01 0.788E-01 RMM: 3 -0.332491436172E+03 0.43971E-02 -0.11212E-02 5883 0.206E-01 0.154E-01 RMM: 4 -0.332491162350E+03 0.27382E-03 -0.57925E-04 4814 0.523E-02 0.885E-02 RMM: 5 -0.332491105402E+03 0.56947E-04 -0.75612E-05 3555 0.243E-02 0.630E-02 RMM: 6 -0.332491089203E+03 0.16199E-04 -0.22276E-05 2544 0.141E-02 7724 T= 6879. E= 0.67569065E+03 F= 0.62377790E+03 E0= 0.65279875E+03 EK= 0.56020E+02 SP= -.43E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332490152860E+03 0.95254E-03 -0.12559E-01 7664 0.249E+01 0.276E-01 RMM: 2 -0.332515231011E+03 -0.25078E-01 -0.10867E-01 4940 0.794E-01 0.154E+00 RMM: 3 -0.332499000121E+03 0.16231E-01 -0.13958E-02 5427 0.266E-01 0.292E-01 RMM: 4 -0.332498340602E+03 0.65952E-03 -0.13980E-03 4759 0.781E-02 0.780E-02 RMM: 5 -0.332498316320E+03 0.24281E-04 -0.17070E-04 4238 0.297E-02 0.800E-02 RMM: 6 -0.332498280807E+03 0.35514E-04 -0.25426E-05 2595 0.150E-02 0.507E-02 RMM: 7 -0.332498285993E+03 -0.51863E-05 -0.26077E-05 2580 0.159E-02 7725 T= 6838. E= 0.67569602E+03 F= 0.62377070E+03 E0= 0.65275711E+03 EK= 0.55682E+02 SP= -.40E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332310170428E+03 0.18811E+00 -0.11973E-01 7400 0.247E+01 0.274E-01 RMM: 2 -0.332330486348E+03 -0.20316E-01 -0.99950E-02 4931 0.762E-01 0.134E+00 RMM: 3 -0.332318199638E+03 0.12287E-01 -0.12609E-02 5393 0.254E-01 0.303E-01 RMM: 4 -0.332317581307E+03 0.61833E-03 -0.14505E-03 4756 0.821E-02 0.105E-01 RMM: 5 -0.332317614159E+03 -0.32852E-04 -0.21120E-04 3915 0.352E-02 0.131E-01 RMM: 6 -0.332317498596E+03 0.11556E-03 -0.55912E-05 3300 0.221E-02 0.327E-02 RMM: 7 -0.332317497507E+03 0.10889E-05 -0.15998E-05 2507 0.125E-02 7726 T= 6772. E= 0.67570296E+03 F= 0.62395149E+03 E0= 0.65289594E+03 EK= 0.55147E+02 SP= -.36E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332041451953E+03 0.27605E+00 -0.12399E-01 7720 0.244E+01 0.229E-01 RMM: 2 -0.332062683144E+03 -0.21231E-01 -0.11170E-01 4787 0.807E-01 0.130E+00 RMM: 3 -0.332050977791E+03 0.11705E-01 -0.13866E-02 5469 0.254E-01 0.223E-01 RMM: 4 -0.332050590276E+03 0.38751E-03 -0.11260E-03 4868 0.691E-02 0.851E-02 RMM: 5 -0.332050554465E+03 0.35811E-04 -0.14263E-04 3900 0.314E-02 0.767E-02 RMM: 6 -0.332050516544E+03 0.37921E-04 -0.30324E-05 2688 0.161E-02 0.437E-02 RMM: 7 -0.332050516299E+03 0.24463E-06 -0.18108E-05 2517 0.134E-02 7727 T= 6695. E= 0.67570940E+03 F= 0.62421847E+03 E0= 0.65311576E+03 EK= 0.54518E+02 SP= -.33E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331783029806E+03 0.26749E+00 -0.12286E-01 7528 0.242E+01 0.201E-01 RMM: 2 -0.331798442350E+03 -0.15413E-01 -0.95218E-02 4819 0.744E-01 0.103E+00 RMM: 3 -0.331791169904E+03 0.72724E-02 -0.11606E-02 5551 0.223E-01 0.202E-01 RMM: 4 -0.331790813358E+03 0.35655E-03 -0.83944E-04 4772 0.621E-02 0.761E-02 RMM: 5 -0.331790800376E+03 0.12982E-04 -0.11582E-04 3813 0.291E-02 7728 T= 6618. E= 0.67571488E+03 F= 0.62447819E+03 E0= 0.65332436E+03 EK= 0.53892E+02 SP= -.29E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331598343478E+03 0.19247E+00 -0.12344E-01 7672 0.241E+01 0.113E-01 RMM: 2 -0.331609119021E+03 -0.10776E-01 -0.97471E-02 4766 0.747E-01 0.507E-01 RMM: 3 -0.331607166063E+03 0.19530E-02 -0.11504E-02 6042 0.197E-01 0.125E-01 RMM: 4 -0.331606922648E+03 0.24341E-03 -0.42888E-04 4589 0.502E-02 0.786E-02 RMM: 5 -0.331606880822E+03 0.41826E-04 -0.55574E-05 3134 0.241E-02 0.623E-02 RMM: 6 -0.331606871859E+03 0.89627E-05 -0.25321E-05 2528 0.155E-02 7729 T= 6550. E= 0.67571852E+03 F= 0.62466212E+03 E0= 0.65345642E+03 EK= 0.53340E+02 SP= -.26E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331528173884E+03 0.78707E-01 -0.12188E-01 7528 0.240E+01 0.280E-01 RMM: 2 -0.331557094843E+03 -0.28921E-01 -0.10162E-01 4761 0.779E-01 0.172E+00 RMM: 3 -0.331536219237E+03 0.20876E-01 -0.14354E-02 5386 0.277E-01 0.229E-01 RMM: 4 -0.331535860323E+03 0.35891E-03 -0.14286E-03 4882 0.741E-02 0.830E-02 RMM: 5 -0.331535870346E+03 -0.10023E-04 -0.16767E-04 3963 0.312E-02 7730 T= 6496. E= 0.67572074E+03 F= 0.62473312E+03 E0= 0.65347697E+03 EK= 0.52900E+02 SP= -.22E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331579575293E+03 -0.43715E-01 -0.11445E-01 7416 0.239E+01 0.278E-01 RMM: 2 -0.331607940571E+03 -0.28365E-01 -0.85436E-02 5000 0.724E-01 0.177E+00 RMM: 3 -0.331586241273E+03 0.21699E-01 -0.12457E-02 5371 0.263E-01 0.236E-01 RMM: 4 -0.331585869975E+03 0.37130E-03 -0.12793E-03 4785 0.709E-02 0.982E-02 RMM: 5 -0.331585833873E+03 0.36101E-04 -0.15047E-04 3887 0.335E-02 0.874E-02 RMM: 6 -0.331585782022E+03 0.51851E-04 -0.35507E-05 2884 0.174E-02 0.460E-02 RMM: 7 -0.331585784699E+03 -0.26768E-05 -0.24964E-05 2557 0.154E-02 7731 T= 6457. E= 0.67572159E+03 F= 0.62468320E+03 E0= 0.65337936E+03 EK= 0.52583E+02 SP= -.18E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331735787658E+03 -0.15001E+00 -0.10831E-01 7328 0.239E+01 0.187E-01 RMM: 2 -0.331748905976E+03 -0.13118E-01 -0.82405E-02 4788 0.697E-01 0.946E-01 RMM: 3 -0.331742698565E+03 0.62074E-02 -0.10127E-02 5529 0.209E-01 0.163E-01 RMM: 4 -0.331742500582E+03 0.19798E-03 -0.70761E-04 4759 0.567E-02 0.890E-02 RMM: 5 -0.331742470865E+03 0.29717E-04 -0.10326E-04 3733 0.280E-02 0.714E-02 RMM: 6 -0.331742437817E+03 0.33048E-04 -0.27765E-05 2704 0.162E-02 0.201E-02 RMM: 7 -0.331742440201E+03 -0.23845E-05 -0.98097E-06 2479 0.102E-02 7732 T= 6432. E= 0.67572072E+03 F= 0.62452655E+03 E0= 0.65318042E+03 EK= 0.52375E+02 SP= -.15E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331971936882E+03 -0.22950E+00 -0.10971E-01 7704 0.239E+01 0.166E-01 RMM: 2 -0.331985106112E+03 -0.13169E-01 -0.10275E-01 4807 0.775E-01 0.776E-01 RMM: 3 -0.331980959134E+03 0.41470E-02 -0.12199E-02 5821 0.207E-01 0.149E-01 RMM: 4 -0.331980684542E+03 0.27459E-03 -0.63191E-04 4765 0.579E-02 0.908E-02 RMM: 5 -0.331980621882E+03 0.62660E-04 -0.92534E-05 3649 0.276E-02 0.547E-02 RMM: 6 -0.331980605832E+03 0.16050E-04 -0.22572E-05 2541 0.137E-02 7733 T= 6416. E= 0.67571929E+03 F= 0.62428838E+03 E0= 0.65290544E+03 EK= 0.52251E+02 SP= -.11E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332261283681E+03 -0.28066E+00 -0.11471E-01 7456 0.239E+01 0.152E-01 RMM: 2 -0.332276553789E+03 -0.15270E-01 -0.11442E-01 4758 0.798E-01 0.833E-01 RMM: 3 -0.332271488050E+03 0.50657E-02 -0.13278E-02 5792 0.213E-01 0.156E-01 RMM: 4 -0.332271178931E+03 0.30912E-03 -0.65650E-04 4770 0.581E-02 0.704E-02 RMM: 5 -0.332271147139E+03 0.31792E-04 -0.81225E-05 3622 0.253E-02 0.589E-02 RMM: 6 -0.332271136534E+03 0.10605E-04 -0.24218E-05 2540 0.148E-02 7734 T= 6408. E= 0.67571818E+03 F= 0.62399785E+03 E0= 0.65258542E+03 EK= 0.52183E+02 SP= -.72E+00 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332580196952E+03 -0.30905E+00 -0.10634E-01 7344 0.239E+01 0.344E-01 RMM: 2 -0.332614649774E+03 -0.34453E-01 -0.10584E-01 4776 0.817E-01 0.196E+00 RMM: 3 -0.332588296942E+03 0.26353E-01 -0.16852E-02 5363 0.313E-01 0.324E-01 RMM: 4 -0.332587569579E+03 0.72736E-03 -0.19320E-03 5023 0.888E-02 0.867E-02 RMM: 5 -0.332587569338E+03 0.24099E-06 -0.22319E-04 3923 0.332E-02 0.103E-01 RMM: 6 -0.332587499195E+03 0.70143E-04 -0.50362E-05 3194 0.209E-02 0.328E-02 RMM: 7 -0.332587502970E+03 -0.37744E-05 -0.16670E-05 2513 0.123E-02 7735 T= 6403. E= 0.67571721E+03 F= 0.62368149E+03 E0= 0.65224663E+03 EK= 0.52145E+02 SP= -.36E+00 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332901988684E+03 -0.31449E+00 -0.10177E-01 7448 0.240E+01 0.258E-01 RMM: 2 -0.332922961203E+03 -0.20973E-01 -0.86457E-02 4865 0.714E-01 0.143E+00 RMM: 3 -0.332908961840E+03 0.13999E-01 -0.12112E-02 5368 0.257E-01 0.272E-01 RMM: 4 -0.332908468929E+03 0.49291E-03 -0.12813E-03 4733 0.740E-02 0.901E-02 RMM: 5 -0.332908454595E+03 0.14334E-04 -0.17246E-04 3875 0.341E-02 7736 T= 6400. E= 0.67571752E+03 F= 0.62336053E+03 E0= 0.65190913E+03 EK= 0.52117E+02 SP= -.10E-01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333210628007E+03 -0.30216E+00 -0.10616E-01 7584 0.239E+01 0.161E-01 RMM: 2 -0.333225233625E+03 -0.14606E-01 -0.96219E-02 4849 0.736E-01 0.941E-01 RMM: 3 -0.333219099158E+03 0.61345E-02 -0.11444E-02 5689 0.209E-01 0.151E-01 RMM: 4 -0.333218850636E+03 0.24852E-03 -0.63338E-04 5076 0.515E-02 0.691E-02 RMM: 5 -0.333218809953E+03 0.40682E-04 -0.72123E-05 3371 0.251E-02 0.606E-02 RMM: 6 -0.333218798259E+03 0.11694E-04 -0.27168E-05 2592 0.156E-02 7737 T= 6396. E= 0.67571792E+03 F= 0.62305019E+03 E0= 0.65158761E+03 EK= 0.52083E+02 SP= 0.34E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333495616878E+03 -0.27681E+00 -0.11267E-01 7344 0.239E+01 0.250E-01 RMM: 2 -0.333522053709E+03 -0.26437E-01 -0.10854E-01 4713 0.782E-01 0.155E+00 RMM: 3 -0.333504688975E+03 0.17365E-01 -0.14471E-02 5413 0.267E-01 0.240E-01 RMM: 4 -0.333504274363E+03 0.41461E-03 -0.13675E-03 4867 0.733E-02 0.810E-02 RMM: 5 -0.333504271731E+03 0.26322E-05 -0.16239E-04 3942 0.307E-02 7738 T= 6389. E= 0.67571738E+03 F= 0.62276472E+03 E0= 0.65129380E+03 EK= 0.52027E+02 SP= 0.69E+00 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333740179130E+03 -0.23590E+00 -0.11482E-01 7424 0.239E+01 0.291E-01 RMM: 2 -0.333774636344E+03 -0.34457E-01 -0.11503E-01 4851 0.823E-01 0.189E+00 RMM: 3 -0.333749494559E+03 0.25142E-01 -0.16008E-02 5393 0.291E-01 0.257E-01 RMM: 4 -0.333749013143E+03 0.48142E-03 -0.16532E-03 4979 0.779E-02 0.825E-02 RMM: 5 -0.333748981930E+03 0.31213E-04 -0.17101E-04 3979 0.316E-02 0.855E-02 RMM: 6 -0.333748932748E+03 0.49182E-04 -0.34264E-05 2795 0.173E-02 0.419E-02 RMM: 7 -0.333748934126E+03 -0.13786E-05 -0.21084E-05 2533 0.140E-02 7739 T= 6378. E= 0.67571711E+03 F= 0.62252006E+03 E0= 0.65104274E+03 EK= 0.51935E+02 SP= 0.10E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333930830432E+03 -0.18190E+00 -0.10743E-01 7616 0.239E+01 0.174E-01 RMM: 2 -0.333944203680E+03 -0.13373E-01 -0.93722E-02 4743 0.725E-01 0.863E-01 RMM: 3 -0.333938998695E+03 0.52050E-02 -0.11196E-02 5663 0.204E-01 0.175E-01 RMM: 4 -0.333938706459E+03 0.29224E-03 -0.69850E-04 4726 0.576E-02 0.732E-02 RMM: 5 -0.333938697358E+03 0.91004E-05 -0.10105E-04 3705 0.260E-02 7740 T= 6360. E= 0.67571715E+03 F= 0.62233029E+03 E0= 0.65084612E+03 EK= 0.51794E+02 SP= 0.14E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334053168276E+03 -0.11446E+00 -0.10630E-01 7488 0.238E+01 0.150E-01 RMM: 2 -0.334065195782E+03 -0.12028E-01 -0.99193E-02 4814 0.745E-01 0.660E-01 RMM: 3 -0.334062140061E+03 0.30557E-02 -0.12073E-02 6047 0.195E-01 0.172E-01 RMM: 4 -0.334061739265E+03 0.40080E-03 -0.54042E-04 4562 0.553E-02 0.683E-02 RMM: 5 -0.334061704440E+03 0.34825E-04 -0.72702E-05 3554 0.238E-02 0.579E-02 RMM: 6 -0.334061690751E+03 0.13688E-04 -0.21226E-05 2523 0.136E-02 7741 T= 6335. E= 0.67571739E+03 F= 0.62220730E+03 E0= 0.65071536E+03 EK= 0.51592E+02 SP= 0.17E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334098623398E+03 -0.36919E-01 -0.11697E-01 7376 0.237E+01 0.218E-01 RMM: 2 -0.334121726308E+03 -0.23103E-01 -0.13066E-01 4671 0.861E-01 0.129E+00 RMM: 3 -0.334109987560E+03 0.11739E-01 -0.15708E-02 5552 0.250E-01 0.205E-01 RMM: 4 -0.334109594086E+03 0.39347E-03 -0.11935E-03 5123 0.669E-02 0.641E-02 RMM: 5 -0.334109579950E+03 0.14137E-04 -0.13446E-04 3909 0.292E-02 7742 T= 6302. E= 0.67571781E+03 F= 0.62215941E+03 E0= 0.65065823E+03 EK= 0.51323E+02 SP= 0.20E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334069546417E+03 0.40048E-01 -0.11136E-01 7456 0.237E+01 0.213E-01 RMM: 2 -0.334089712059E+03 -0.20166E-01 -0.10214E-01 4799 0.763E-01 0.127E+00 RMM: 3 -0.334078268211E+03 0.11444E-01 -0.12755E-02 5490 0.238E-01 0.210E-01 RMM: 4 -0.334077912266E+03 0.35594E-03 -0.10449E-03 4776 0.661E-02 0.769E-02 RMM: 5 -0.334077892677E+03 0.19589E-04 -0.13633E-04 4031 0.288E-02 7743 T= 6261. E= 0.67571907E+03 F= 0.62219110E+03 E0= 0.65067886E+03 EK= 0.50985E+02 SP= 0.23E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333957137642E+03 0.12077E+00 -0.12127E-01 7584 0.235E+01 0.176E-01 RMM: 2 -0.333975878341E+03 -0.18741E-01 -0.12425E-01 4681 0.835E-01 0.103E+00 RMM: 3 -0.333968153877E+03 0.77245E-02 -0.14989E-02 5811 0.226E-01 0.157E-01 RMM: 4 -0.333967791736E+03 0.36214E-03 -0.76928E-04 5005 0.591E-02 0.642E-02 RMM: 5 -0.333967767793E+03 0.23944E-04 -0.95343E-05 3804 0.269E-02 0.564E-02 RMM: 6 -0.333967756606E+03 0.11186E-04 -0.23316E-05 2540 0.140E-02 7744 T= 6211. E= 0.67572060E+03 F= 0.62230123E+03 E0= 0.65077705E+03 EK= 0.50580E+02 SP= 0.27E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333779164456E+03 0.18860E+00 -0.10858E-01 7472 0.234E+01 0.219E-01 RMM: 2 -0.333799615393E+03 -0.20451E-01 -0.93663E-02 4713 0.718E-01 0.132E+00 RMM: 3 -0.333787041152E+03 0.12574E-01 -0.12129E-02 5402 0.240E-01 0.172E-01 RMM: 4 -0.333786894155E+03 0.14700E-03 -0.11428E-03 4859 0.652E-02 0.111E-01 RMM: 5 -0.333786833789E+03 0.60366E-04 -0.13689E-04 3914 0.297E-02 0.720E-02 RMM: 6 -0.333786799846E+03 0.33943E-04 -0.30724E-05 2801 0.166E-02 0.307E-02 RMM: 7 -0.333786800897E+03 -0.10512E-05 -0.12260E-05 2487 0.114E-02 7745 T= 6154. E= 0.67572192E+03 F= 0.62248219E+03 E0= 0.65094465E+03 EK= 0.50116E+02 SP= 0.30E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333540676849E+03 0.24612E+00 -0.10411E-01 7480 0.232E+01 0.245E-01 RMM: 2 -0.333560371760E+03 -0.19695E-01 -0.84893E-02 4858 0.696E-01 0.135E+00 RMM: 3 -0.333547605426E+03 0.12766E-01 -0.11472E-02 5400 0.239E-01 0.237E-01 RMM: 4 -0.333547208935E+03 0.39649E-03 -0.11431E-03 4706 0.684E-02 0.772E-02 RMM: 5 -0.333547212805E+03 -0.38698E-05 -0.15507E-04 3879 0.320E-02 7746 T= 6092. E= 0.67572437E+03 F= 0.62272178E+03 E0= 0.65117012E+03 EK= 0.49610E+02 SP= 0.32E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333256933654E+03 0.29028E+00 -0.11088E-01 7536 0.230E+01 0.144E-01 RMM: 2 -0.333271452779E+03 -0.14519E-01 -0.10507E-01 4820 0.739E-01 0.851E-01 RMM: 3 -0.333266260027E+03 0.51928E-02 -0.12322E-02 5789 0.200E-01 0.144E-01 RMM: 4 -0.333265947799E+03 0.31223E-03 -0.58824E-04 4863 0.516E-02 0.637E-02 RMM: 5 -0.333265914801E+03 0.32998E-04 -0.67541E-05 3273 0.230E-02 0.544E-02 RMM: 6 -0.333265903627E+03 0.11174E-04 -0.22539E-05 2519 0.143E-02 7747 T= 6027. E= 0.67572697E+03 F= 0.62300309E+03 E0= 0.65143694E+03 EK= 0.49080E+02 SP= 0.35E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332958144169E+03 0.30777E+00 -0.10715E-01 7584 0.229E+01 0.243E-01 RMM: 2 -0.332981299646E+03 -0.23155E-01 -0.79032E-02 4764 0.667E-01 0.154E+00 RMM: 3 -0.332964351345E+03 0.16948E-01 -0.11133E-02 5395 0.244E-01 0.187E-01 RMM: 4 -0.332964123459E+03 0.22789E-03 -0.11550E-03 4962 0.631E-02 0.762E-02 RMM: 5 -0.332964099184E+03 0.24275E-04 -0.10296E-04 3703 0.272E-02 0.708E-02 RMM: 6 -0.332964068223E+03 0.30961E-04 -0.23284E-05 2561 0.144E-02 0.321E-02 RMM: 7 -0.332964070701E+03 -0.24782E-05 -0.13521E-05 2492 0.122E-02 7748 T= 5962. E= 0.67572901E+03 F= 0.62330492E+03 E0= 0.65172386E+03 EK= 0.48548E+02 SP= 0.38E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332659344487E+03 0.30472E+00 -0.10336E-01 7624 0.227E+01 0.305E-01 RMM: 2 -0.332687125296E+03 -0.27781E-01 -0.92620E-02 4860 0.727E-01 0.172E+00 RMM: 3 -0.332666477122E+03 0.20648E-01 -0.13848E-02 5390 0.276E-01 0.294E-01 RMM: 4 -0.332665852113E+03 0.62501E-03 -0.16083E-03 4764 0.832E-02 0.897E-02 RMM: 5 -0.332665856614E+03 -0.45013E-05 -0.20523E-04 3916 0.342E-02 0.106E-01 RMM: 6 -0.332665779152E+03 0.77462E-04 -0.45411E-05 3116 0.199E-02 0.322E-02 RMM: 7 -0.332665776259E+03 0.28937E-05 -0.14587E-05 2503 0.119E-02 7749 T= 5900. E= 0.67573174E+03 F= 0.62360321E+03 E0= 0.65200681E+03 EK= 0.48042E+02 SP= 0.40E+01 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332391094752E+03 0.27468E+00 -0.10117E-01 7680 0.226E+01 0.172E-01 RMM: 2 -0.332405025164E+03 -0.13930E-01 -0.93461E-02 4809 0.703E-01 0.912E-01 RMM: 3 -0.332399115205E+03 0.59100E-02 -0.10835E-02 5649 0.206E-01 0.160E-01 RMM: 4 -0.332398859677E+03 0.25553E-03 -0.68434E-04 4942 0.536E-02 0.745E-02 RMM: 5 -0.332398827822E+03 0.31855E-04 -0.83829E-05 3608 0.252E-02 0.570E-02 RMM: 6 -0.332398811015E+03 0.16807E-04 -0.21238E-05 2540 0.135E-02 7750 T= 5844. E= 0.67573406E+03 F= 0.62387018E+03 E0= 0.65225888E+03 EK= 0.47590E+02 SP= 0.42E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332182744711E+03 0.21608E+00 -0.10201E-01 7504 0.225E+01 0.191E-01 RMM: 2 -0.332199193545E+03 -0.16449E-01 -0.10938E-01 4786 0.756E-01 0.982E-01 RMM: 3 -0.332192300871E+03 0.68927E-02 -0.13117E-02 5690 0.221E-01 0.203E-01 RMM: 4 -0.332191866558E+03 0.43431E-03 -0.83957E-04 4859 0.602E-02 0.703E-02 RMM: 5 -0.332191839217E+03 0.27341E-04 -0.93945E-05 3841 0.240E-02 0.630E-02 RMM: 6 -0.332191823783E+03 0.15434E-04 -0.17463E-05 2519 0.120E-02 7751 T= 5799. E= 0.67573625E+03 F= 0.62407717E+03 E0= 0.65245164E+03 EK= 0.47221E+02 SP= 0.44E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332066978720E+03 0.12486E+00 -0.98340E-02 7816 0.224E+01 0.279E-01 RMM: 2 -0.332092333546E+03 -0.25355E-01 -0.94229E-02 4903 0.718E-01 0.161E+00 RMM: 3 -0.332074421883E+03 0.17912E-01 -0.13142E-02 5428 0.264E-01 0.263E-01 RMM: 4 -0.332073910708E+03 0.51117E-03 -0.13655E-03 4823 0.719E-02 0.777E-02 RMM: 5 -0.332073880290E+03 0.30418E-04 -0.13736E-04 4027 0.289E-02 0.695E-02 RMM: 6 -0.332073853527E+03 0.26763E-04 -0.22676E-05 2559 0.135E-02 0.486E-02 RMM: 7 -0.332073856797E+03 -0.32694E-05 -0.20072E-05 2526 0.144E-02 7752 T= 5767. E= 0.67573839E+03 F= 0.62419513E+03 E0= 0.65255714E+03 EK= 0.46967E+02 SP= 0.45E+01 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332065366529E+03 0.84870E-02 -0.99501E-02 7848 0.223E+01 0.322E-01 RMM: 2 -0.332095919055E+03 -0.30553E-01 -0.10596E-01 4833 0.759E-01 0.181E+00 RMM: 3 -0.332073704664E+03 0.22214E-01 -0.15976E-02 5418 0.288E-01 0.299E-01 RMM: 4 -0.332073071823E+03 0.63284E-03 -0.17615E-03 4844 0.859E-02 0.115E-01 RMM: 5 -0.332073134960E+03 -0.63137E-04 -0.26986E-04 3907 0.398E-02 0.150E-01 RMM: 6 -0.332072983616E+03 0.15134E-03 -0.85133E-05 3562 0.267E-02 0.375E-02 RMM: 7 -0.332072979660E+03 0.39561E-05 -0.17912E-05 2538 0.129E-02 7753 T= 5754. E= 0.67574030E+03 F= 0.62419601E+03 E0= 0.65254723E+03 EK= 0.46854E+02 SP= 0.47E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332203404336E+03 -0.13042E+00 -0.10959E-01 7816 0.223E+01 0.198E-01 RMM: 2 -0.332223051264E+03 -0.19647E-01 -0.11831E-01 4886 0.764E-01 0.115E+00 RMM: 3 -0.332213560969E+03 0.94903E-02 -0.13287E-02 5584 0.233E-01 0.181E-01 RMM: 4 -0.332213252082E+03 0.30889E-03 -0.99826E-04 5171 0.605E-02 0.839E-02 RMM: 5 -0.332213198535E+03 0.53547E-04 -0.97754E-05 3723 0.268E-02 0.619E-02 RMM: 6 -0.332213175948E+03 0.22587E-04 -0.22225E-05 2548 0.138E-02 0.437E-02 RMM: 7 -0.332213173907E+03 0.20408E-05 -0.19006E-05 2536 0.132E-02 7754 T= 5760. E= 0.67574142E+03 F= 0.62405582E+03 E0= 0.65239949E+03 EK= 0.46908E+02 SP= 0.48E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332500848360E+03 -0.28767E+00 -0.10771E-01 7976 0.223E+01 0.169E-01 RMM: 2 -0.332516252935E+03 -0.15405E-01 -0.11776E-01 4785 0.786E-01 0.830E-01 RMM: 3 -0.332511242563E+03 0.50104E-02 -0.13335E-02 5909 0.213E-01 0.160E-01 RMM: 4 -0.332510868555E+03 0.37401E-03 -0.66197E-04 4839 0.570E-02 0.712E-02 RMM: 5 -0.332510850586E+03 0.17969E-04 -0.87329E-05 3634 0.257E-02 7755 T= 5789. E= 0.67574185E+03 F= 0.62375814E+03 E0= 0.65209619E+03 EK= 0.47143E+02 SP= 0.48E+01 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332959290080E+03 -0.44842E+00 -0.11256E-01 8032 0.224E+01 0.112E-01 RMM: 2 -0.332972558696E+03 -0.13269E-01 -0.12387E-01 4992 0.774E-01 0.478E-01 RMM: 3 -0.332970380060E+03 0.21786E-02 -0.12624E-02 6218 0.195E-01 0.108E-01 RMM: 4 -0.332970106336E+03 0.27372E-03 -0.44713E-04 4647 0.493E-02 0.832E-02 RMM: 5 -0.332970070877E+03 0.35460E-04 -0.47237E-05 2919 0.219E-02 0.670E-02 RMM: 6 -0.332970068977E+03 0.18993E-05 -0.27861E-05 2608 0.157E-02 7756 T= 5841. E= 0.67574113E+03 F= 0.62329892E+03 E0= 0.65163403E+03 EK= 0.47562E+02 SP= 0.49E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333567300676E+03 -0.59723E+00 -0.10786E-01 7952 0.225E+01 0.288E-01 RMM: 2 -0.333598444051E+03 -0.31143E-01 -0.12375E-01 4752 0.793E-01 0.170E+00 RMM: 3 -0.333577339635E+03 0.21104E-01 -0.16015E-02 5392 0.283E-01 0.239E-01 RMM: 4 -0.333576937990E+03 0.40164E-03 -0.17255E-03 5197 0.761E-02 0.916E-02 RMM: 5 -0.333576932429E+03 0.55612E-05 -0.17645E-04 3888 0.345E-02 7757 T= 5913. E= 0.67573959E+03 F= 0.62269206E+03 E0= 0.65102557E+03 EK= 0.48151E+02 SP= 0.49E+01 SK= 0.11E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334286278668E+03 -0.70934E+00 -0.11169E-01 8280 0.226E+01 0.255E-01 RMM: 2 -0.334312879463E+03 -0.26601E-01 -0.11901E-01 5018 0.751E-01 0.152E+00 RMM: 3 -0.334295921698E+03 0.16958E-01 -0.13647E-02 5405 0.260E-01 0.241E-01 RMM: 4 -0.334295518798E+03 0.40290E-03 -0.14276E-03 5051 0.723E-02 0.110E-01 RMM: 5 -0.334295447791E+03 0.71007E-04 -0.14766E-04 3878 0.328E-02 0.810E-02 RMM: 6 -0.334295414400E+03 0.33391E-04 -0.34116E-05 2848 0.171E-02 0.572E-02 RMM: 7 -0.334295425132E+03 -0.10732E-04 -0.32006E-05 2656 0.168E-02 7758 T= 6001. E= 0.67573673E+03 F= 0.62197356E+03 E0= 0.65030556E+03 EK= 0.48870E+02 SP= 0.49E+01 SK= 0.36E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335057069433E+03 -0.76166E+00 -0.12137E-01 8064 0.228E+01 0.212E-01 RMM: 2 -0.335078349197E+03 -0.21280E-01 -0.14314E-01 4874 0.818E-01 0.109E+00 RMM: 3 -0.335069243068E+03 0.91061E-02 -0.14705E-02 5653 0.239E-01 0.180E-01 RMM: 4 -0.335068923411E+03 0.31966E-03 -0.10044E-03 4966 0.653E-02 0.101E-01 RMM: 5 -0.335068874730E+03 0.48681E-04 -0.12916E-04 3845 0.281E-02 0.722E-02 RMM: 6 -0.335068841895E+03 0.32835E-04 -0.29091E-05 2812 0.164E-02 0.249E-02 RMM: 7 -0.335068845286E+03 -0.33913E-05 -0.11141E-05 2494 0.108E-02 7759 T= 6098. E= 0.67573203E+03 F= 0.62120014E+03 E0= 0.64953080E+03 EK= 0.49660E+02 SP= 0.49E+01 SK= 0.19E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335817242132E+03 -0.74840E+00 -0.12522E-01 8624 0.230E+01 0.137E-01 RMM: 2 -0.335832174972E+03 -0.14933E-01 -0.13372E-01 5088 0.760E-01 0.593E-01 RMM: 3 -0.335828657749E+03 0.35172E-02 -0.11588E-02 6095 0.196E-01 0.119E-01 RMM: 4 -0.335828426716E+03 0.23103E-03 -0.52693E-04 4540 0.527E-02 0.114E-01 RMM: 5 -0.335828336283E+03 0.90433E-04 -0.81260E-05 3532 0.272E-02 0.536E-02 RMM: 6 -0.335828326625E+03 0.96579E-05 -0.19996E-05 2531 0.126E-02 7760 T= 6195. E= 0.67572707E+03 F= 0.62044066E+03 E0= 0.64876765E+03 EK= 0.50451E+02 SP= 0.48E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336495272013E+03 -0.66694E+00 -0.12449E-01 8840 0.232E+01 0.154E-01 RMM: 2 -0.336511642371E+03 -0.16370E-01 -0.12835E-01 5161 0.739E-01 0.798E-01 RMM: 3 -0.336506115675E+03 0.55267E-02 -0.10857E-02 5801 0.205E-01 0.163E-01 RMM: 4 -0.336505842579E+03 0.27310E-03 -0.63128E-04 4801 0.526E-02 0.794E-02 RMM: 5 -0.336505810971E+03 0.31608E-04 -0.65284E-05 3333 0.220E-02 0.697E-02 RMM: 6 -0.336505804175E+03 0.67966E-05 -0.21947E-05 2539 0.142E-02 7761 T= 6284. E= 0.67572227E+03 F= 0.61976319E+03 E0= 0.64808611E+03 EK= 0.51172E+02 SP= 0.48E+01 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337035129369E+03 -0.52932E+00 -0.13221E-01 8704 0.234E+01 0.365E-01 RMM: 2 -0.337075137734E+03 -0.40008E-01 -0.15435E-01 4982 0.861E-01 0.197E+00 RMM: 3 -0.337047384117E+03 0.27754E-01 -0.19966E-02 5412 0.323E-01 0.367E-01 RMM: 4 -0.337046355689E+03 0.10284E-02 -0.22212E-03 4980 0.960E-02 0.102E-01 RMM: 5 -0.337046321095E+03 0.34594E-04 -0.26032E-04 3985 0.365E-02 0.965E-02 RMM: 6 -0.337046265576E+03 0.55519E-04 -0.41335E-05 3024 0.192E-02 0.527E-02 RMM: 7 -0.337046265914E+03 -0.33816E-06 -0.19268E-05 2524 0.135E-02 7762 T= 6357. E= 0.67571879E+03 F= 0.61922272E+03 E0= 0.64754054E+03 EK= 0.51766E+02 SP= 0.47E+01 SK= 0.75E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337407720012E+03 -0.36145E+00 -0.13326E-01 8848 0.235E+01 0.308E-01 RMM: 2 -0.337441036652E+03 -0.33317E-01 -0.14459E-01 5167 0.784E-01 0.171E+00 RMM: 3 -0.337419148601E+03 0.21888E-01 -0.15623E-02 5397 0.286E-01 0.311E-01 RMM: 4 -0.337418466930E+03 0.68167E-03 -0.17383E-03 4897 0.836E-02 0.113E-01 RMM: 5 -0.337418449693E+03 0.17237E-04 -0.22606E-04 3905 0.380E-02 0.114E-01 RMM: 6 -0.337418366831E+03 0.82862E-04 -0.61757E-05 3366 0.231E-02 0.440E-02 RMM: 7 -0.337418365729E+03 0.11018E-05 -0.17479E-05 2528 0.129E-02 7763 T= 6410. E= 0.67571773E+03 F= 0.61885062E+03 E0= 0.64716397E+03 EK= 0.52199E+02 SP= 0.47E+01 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337602428815E+03 -0.18406E+00 -0.14763E-01 8712 0.236E+01 0.228E-01 RMM: 2 -0.337627981985E+03 -0.25553E-01 -0.16951E-01 5174 0.867E-01 0.121E+00 RMM: 3 -0.337616619992E+03 0.11362E-01 -0.15078E-02 5583 0.253E-01 0.223E-01 RMM: 4 -0.337616157105E+03 0.46289E-03 -0.11727E-03 5047 0.688E-02 0.926E-02 RMM: 5 -0.337616112043E+03 0.45062E-04 -0.13496E-04 3846 0.299E-02 0.746E-02 RMM: 6 -0.337616079027E+03 0.33016E-04 -0.27646E-05 2689 0.158E-02 0.446E-02 RMM: 7 -0.337616082501E+03 -0.34736E-05 -0.19653E-05 2551 0.136E-02 7764 T= 6443. E= 0.67571817E+03 F= 0.61865291E+03 E0= 0.64696214E+03 EK= 0.52464E+02 SP= 0.46E+01 SK= 0.94E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337642053211E+03 -0.25974E-01 -0.14418E-01 8816 0.236E+01 0.202E-01 RMM: 2 -0.337662747173E+03 -0.20694E-01 -0.15370E-01 5142 0.829E-01 0.990E-01 RMM: 3 -0.337654793484E+03 0.79537E-02 -0.13355E-02 5897 0.229E-01 0.145E-01 RMM: 4 -0.337654527905E+03 0.26558E-03 -0.82692E-04 5129 0.579E-02 0.959E-02 RMM: 5 -0.337654470043E+03 0.57862E-04 -0.91186E-05 3654 0.257E-02 0.639E-02 RMM: 6 -0.337654449615E+03 0.20428E-04 -0.22861E-05 2564 0.144E-02 0.421E-02 RMM: 7 -0.337654448403E+03 0.12120E-05 -0.19260E-05 2550 0.133E-02 7765 T= 6456. E= 0.67571930E+03 F= 0.61861454E+03 E0= 0.64692296E+03 EK= 0.52573E+02 SP= 0.45E+01 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337548270936E+03 0.10618E+00 -0.14407E-01 8608 0.236E+01 0.137E-01 RMM: 2 -0.337565707155E+03 -0.17436E-01 -0.15884E-01 5260 0.835E-01 0.593E-01 RMM: 3 -0.337561966295E+03 0.37409E-02 -0.12979E-02 6086 0.209E-01 0.134E-01 RMM: 4 -0.337561676346E+03 0.28995E-03 -0.60235E-04 4716 0.558E-02 0.100E-01 RMM: 5 -0.337561608600E+03 0.67746E-04 -0.74869E-05 3412 0.254E-02 0.574E-02 RMM: 6 -0.337561595795E+03 0.12806E-04 -0.21242E-05 2541 0.139E-02 7766 T= 6453. E= 0.67572101E+03 F= 0.61870739E+03 E0= 0.64701798E+03 EK= 0.52552E+02 SP= 0.45E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337354324366E+03 0.20728E+00 -0.13767E-01 8424 0.236E+01 0.226E-01 RMM: 2 -0.337379427638E+03 -0.25103E-01 -0.15315E-01 5061 0.846E-01 0.125E+00 RMM: 3 -0.337367221226E+03 0.12206E-01 -0.15293E-02 5609 0.250E-01 0.224E-01 RMM: 4 -0.337366732230E+03 0.48900E-03 -0.11079E-03 5122 0.668E-02 0.793E-02 RMM: 5 -0.337366697450E+03 0.34780E-04 -0.10716E-04 3871 0.259E-02 0.709E-02 RMM: 6 -0.337366681677E+03 0.15774E-04 -0.20657E-05 2543 0.134E-02 7767 T= 6438. E= 0.67572260E+03 F= 0.61890231E+03 E0= 0.64721950E+03 EK= 0.52431E+02 SP= 0.44E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337082213778E+03 0.28448E+00 -0.12192E-01 8696 0.236E+01 0.330E-01 RMM: 2 -0.337122392326E+03 -0.40179E-01 -0.12750E-01 4968 0.800E-01 0.207E+00 RMM: 3 -0.337092060447E+03 0.30332E-01 -0.17014E-02 5401 0.305E-01 0.306E-01 RMM: 4 -0.337091354579E+03 0.70587E-03 -0.18988E-03 5013 0.852E-02 0.875E-02 RMM: 5 -0.337091324871E+03 0.29709E-04 -0.18539E-04 4201 0.304E-02 0.882E-02 RMM: 6 -0.337091283933E+03 0.40938E-04 -0.27521E-05 2639 0.157E-02 0.556E-02 RMM: 7 -0.337091293714E+03 -0.97815E-05 -0.26405E-05 2625 0.160E-02 7768 T= 6414. E= 0.67572297E+03 F= 0.61917770E+03 E0= 0.64750537E+03 EK= 0.52230E+02 SP= 0.43E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336733343695E+03 0.35794E+00 -0.11255E-01 8344 0.236E+01 0.309E-01 RMM: 2 -0.336764436847E+03 -0.31093E-01 -0.12537E-01 4840 0.801E-01 0.170E+00 RMM: 3 -0.336743755815E+03 0.20681E-01 -0.16319E-02 5416 0.287E-01 0.338E-01 RMM: 4 -0.336742959636E+03 0.79618E-03 -0.19877E-03 5025 0.946E-02 0.113E-01 RMM: 5 -0.336743065010E+03 -0.10537E-03 -0.30042E-04 3946 0.404E-02 0.167E-01 RMM: 6 -0.336742880133E+03 0.18488E-03 -0.90425E-05 3600 0.271E-02 0.359E-02 RMM: 7 -0.336742879307E+03 0.82572E-06 -0.18774E-05 2550 0.127E-02 7769 T= 6381. E= 0.67572308E+03 F= 0.61952611E+03 E0= 0.64786937E+03 EK= 0.51959E+02 SP= 0.42E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336306290139E+03 0.43659E+00 -0.10768E-01 8376 0.235E+01 0.228E-01 RMM: 2 -0.336326833515E+03 -0.20543E-01 -0.10822E-01 4952 0.743E-01 0.128E+00 RMM: 3 -0.336315194761E+03 0.11639E-01 -0.12028E-02 5499 0.234E-01 0.206E-01 RMM: 4 -0.336314848155E+03 0.34661E-03 -0.10010E-03 5040 0.620E-02 0.744E-02 RMM: 5 -0.336314808377E+03 0.39778E-04 -0.10461E-04 3742 0.271E-02 0.680E-02 RMM: 6 -0.336314780619E+03 0.27758E-04 -0.24402E-05 2585 0.147E-02 0.422E-02 RMM: 7 -0.336314781540E+03 -0.92134E-06 -0.18709E-05 2531 0.132E-02 7770 T= 6338. E= 0.67572249E+03 F= 0.61995421E+03 E0= 0.64831762E+03 EK= 0.51612E+02 SP= 0.41E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335779637862E+03 0.53514E+00 -0.10633E-01 7896 0.235E+01 0.156E-01 RMM: 2 -0.335791686946E+03 -0.12049E-01 -0.95529E-02 4789 0.714E-01 0.705E-01 RMM: 3 -0.335788021937E+03 0.36650E-02 -0.10878E-02 5838 0.201E-01 0.145E-01 RMM: 4 -0.335787760629E+03 0.26131E-03 -0.57412E-04 4823 0.521E-02 0.673E-02 RMM: 5 -0.335787742854E+03 0.17775E-04 -0.72970E-05 3481 0.245E-02 7771 T= 6284. E= 0.67572221E+03 F= 0.62048125E+03 E0= 0.64886845E+03 EK= 0.51172E+02 SP= 0.41E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335133919283E+03 0.65384E+00 -0.99957E-02 7912 0.234E+01 0.115E-01 RMM: 2 -0.335142198806E+03 -0.82795E-02 -0.74705E-02 5151 0.601E-01 0.481E-01 RMM: 3 -0.335140207303E+03 0.19915E-02 -0.65950E-03 5976 0.153E-01 0.115E-01 RMM: 4 -0.335140054368E+03 0.15293E-03 -0.30081E-04 4261 0.392E-02 0.811E-02 RMM: 5 -0.335140011017E+03 0.43351E-04 -0.36213E-05 2842 0.187E-02 0.622E-02 RMM: 6 -0.335140003269E+03 0.77481E-05 -0.26140E-05 2582 0.154E-02 7772 T= 6216. E= 0.67572210E+03 F= 0.62112899E+03 E0= 0.64954338E+03 EK= 0.50618E+02 SP= 0.40E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334350449505E+03 0.78956E+00 -0.99317E-02 7936 0.233E+01 0.268E-01 RMM: 2 -0.334373374712E+03 -0.22925E-01 -0.79123E-02 4879 0.662E-01 0.156E+00 RMM: 3 -0.334356471419E+03 0.16903E-01 -0.11232E-02 5379 0.248E-01 0.229E-01 RMM: 4 -0.334356120125E+03 0.35129E-03 -0.11813E-03 4786 0.680E-02 0.775E-02 RMM: 5 -0.334356132604E+03 -0.12479E-04 -0.14257E-04 3867 0.300E-02 7773 T= 6132. E= 0.67572359E+03 F= 0.62191286E+03 E0= 0.65035688E+03 EK= 0.49938E+02 SP= 0.38E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333432302256E+03 0.92382E+00 -0.94807E-02 7672 0.231E+01 0.248E-01 RMM: 2 -0.333456447265E+03 -0.24145E-01 -0.80083E-02 5096 0.651E-01 0.159E+00 RMM: 3 -0.333438488381E+03 0.17959E-01 -0.10407E-02 5377 0.237E-01 0.194E-01 RMM: 4 -0.333438226179E+03 0.26220E-03 -0.10759E-03 4887 0.634E-02 0.993E-02 RMM: 5 -0.333438167913E+03 0.58266E-04 -0.10393E-04 3799 0.274E-02 0.782E-02 RMM: 6 -0.333438137546E+03 0.30367E-04 -0.27944E-05 2610 0.159E-02 0.511E-02 RMM: 7 -0.333438150343E+03 -0.12797E-04 -0.37001E-05 2887 0.167E-02 7774 T= 6034. E= 0.67572724E+03 F= 0.62283084E+03 E0= 0.65130491E+03 EK= 0.49139E+02 SP= 0.37E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332408472379E+03 0.10297E+01 -0.99026E-02 7648 0.229E+01 0.190E-01 RMM: 2 -0.332422961998E+03 -0.14490E-01 -0.85893E-02 4847 0.670E-01 0.100E+00 RMM: 3 -0.332415629773E+03 0.73322E-02 -0.93817E-03 5549 0.199E-01 0.171E-01 RMM: 4 -0.332415412951E+03 0.21682E-03 -0.72078E-04 4697 0.576E-02 0.929E-02 RMM: 5 -0.332415379588E+03 0.33362E-04 -0.97871E-05 3692 0.262E-02 0.689E-02 RMM: 6 -0.332415349343E+03 0.30245E-04 -0.26257E-05 2686 0.159E-02 0.229E-02 RMM: 7 -0.332415352342E+03 -0.29982E-05 -0.10628E-05 2480 0.107E-02 7775 T= 5925. E= 0.67573222E+03 F= 0.62385364E+03 E0= 0.65235831E+03 EK= 0.48250E+02 SP= 0.36E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331341112902E+03 0.10742E+01 -0.97103E-02 7880 0.226E+01 0.148E-01 RMM: 2 -0.331350869283E+03 -0.97564E-02 -0.77668E-02 5034 0.623E-01 0.665E-01 RMM: 3 -0.331347518809E+03 0.33505E-02 -0.75640E-03 5786 0.173E-01 0.142E-01 RMM: 4 -0.331347334273E+03 0.18454E-03 -0.43678E-04 4530 0.450E-02 0.777E-02 RMM: 5 -0.331347280687E+03 0.53586E-04 -0.51433E-05 3158 0.213E-02 0.593E-02 RMM: 6 -0.331347266914E+03 0.13774E-04 -0.22120E-05 2527 0.143E-02 7776 T= 5813. E= 0.67573863E+03 F= 0.62492172E+03 E0= 0.65345479E+03 EK= 0.47335E+02 SP= 0.34E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330311711098E+03 0.10356E+01 -0.94969E-02 7776 0.223E+01 0.214E-01 RMM: 2 -0.330327951736E+03 -0.16241E-01 -0.84733E-02 4917 0.659E-01 0.114E+00 RMM: 3 -0.330318616606E+03 0.93351E-02 -0.96392E-03 5461 0.214E-01 0.217E-01 RMM: 4 -0.330318262264E+03 0.35434E-03 -0.86386E-04 4712 0.609E-02 0.778E-02 RMM: 5 -0.330318237947E+03 0.24317E-04 -0.10101E-04 3863 0.255E-02 0.743E-02 RMM: 6 -0.330318210619E+03 0.27328E-04 -0.24564E-05 2593 0.147E-02 0.529E-02 RMM: 7 -0.330318235430E+03 -0.24812E-04 -0.44241E-05 3093 0.189E-02 0.871E-02 RMM: 8 -0.330318191293E+03 0.44137E-04 -0.66595E-05 3485 0.202E-02 0.417E-02 RMM: 9 -0.330318182530E+03 0.87633E-05 -0.14826E-05 2507 0.112E-02 7777 T= 5708. E= 0.67574654E+03 F= 0.62595081E+03 E0= 0.65451014E+03 EK= 0.46481E+02 SP= 0.32E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329423874527E+03 0.89432E+00 -0.94213E-02 7920 0.221E+01 0.227E-01 RMM: 2 -0.329439065511E+03 -0.15191E-01 -0.87519E-02 5044 0.644E-01 0.108E+00 RMM: 3 -0.329430629530E+03 0.84360E-02 -0.88041E-03 5438 0.206E-01 0.220E-01 RMM: 4 -0.329430420511E+03 0.20902E-03 -0.10592E-03 4651 0.727E-02 0.157E-01 RMM: 5 -0.329430335790E+03 0.84721E-04 -0.17697E-04 3877 0.348E-02 0.120E-01 RMM: 6 -0.329430236609E+03 0.99181E-04 -0.50057E-05 3224 0.218E-02 0.269E-02 RMM: 7 -0.329430241367E+03 -0.47589E-05 -0.18087E-05 2525 0.129E-02 7778 T= 5623. E= 0.67575387E+03 F= 0.62683875E+03 E0= 0.65542111E+03 EK= 0.45791E+02 SP= 0.30E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328773784707E+03 0.65645E+00 -0.93452E-02 8112 0.218E+01 0.165E-01 RMM: 2 -0.328786825087E+03 -0.13040E-01 -0.95265E-02 5180 0.663E-01 0.817E-01 RMM: 3 -0.328781659058E+03 0.51660E-02 -0.86437E-03 5809 0.182E-01 0.166E-01 RMM: 4 -0.328781399698E+03 0.25936E-03 -0.55168E-04 4678 0.496E-02 0.733E-02 RMM: 5 -0.328781368278E+03 0.31420E-04 -0.62032E-05 3416 0.214E-02 0.661E-02 RMM: 6 -0.328781349995E+03 0.18283E-04 -0.21222E-05 2542 0.141E-02 7779 T= 5571. E= 0.67575973E+03 F= 0.62748764E+03 E0= 0.65609008E+03 EK= 0.45365E+02 SP= 0.28E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328437196577E+03 0.34417E+00 -0.10414E-01 8128 0.216E+01 0.241E-01 RMM: 2 -0.328458759736E+03 -0.21563E-01 -0.11773E-01 5055 0.736E-01 0.127E+00 RMM: 3 -0.328446839842E+03 0.11920E-01 -0.12686E-02 5433 0.241E-01 0.216E-01 RMM: 4 -0.328446472515E+03 0.36733E-03 -0.11494E-03 5111 0.643E-02 0.848E-02 RMM: 5 -0.328446431146E+03 0.41370E-04 -0.10654E-04 3790 0.273E-02 0.747E-02 RMM: 6 -0.328446404635E+03 0.26511E-04 -0.23248E-05 2575 0.143E-02 0.540E-02 RMM: 7 -0.328446420767E+03 -0.16132E-04 -0.34708E-05 2888 0.170E-02 7780 T= 5560. E= 0.67576251E+03 F= 0.62782257E+03 E0= 0.65644063E+03 EK= 0.45280E+02 SP= 0.25E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328451679590E+03 -0.52750E-02 -0.10947E-01 8288 0.216E+01 0.283E-01 RMM: 2 -0.328475895717E+03 -0.24216E-01 -0.12889E-01 5059 0.772E-01 0.138E+00 RMM: 3 -0.328461916325E+03 0.13979E-01 -0.13685E-02 5413 0.261E-01 0.290E-01 RMM: 4 -0.328461351457E+03 0.56487E-03 -0.15372E-03 4795 0.809E-02 0.116E-01 RMM: 5 -0.328461388060E+03 -0.36603E-04 -0.24288E-04 3896 0.394E-02 0.145E-01 RMM: 6 -0.328461248364E+03 0.13970E-03 -0.81146E-05 3535 0.261E-02 0.326E-02 RMM: 7 -0.328461250474E+03 -0.21104E-05 -0.16752E-05 2541 0.123E-02 7781 T= 5596. E= 0.67576177E+03 F= 0.62780774E+03 E0= 0.65643805E+03 EK= 0.45572E+02 SP= 0.21E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328802294789E+03 -0.34105E+00 -0.12826E-01 8680 0.217E+01 0.244E-01 RMM: 2 -0.328827033414E+03 -0.24739E-01 -0.15440E-01 5173 0.820E-01 0.126E+00 RMM: 3 -0.328815044747E+03 0.11989E-01 -0.14177E-02 5617 0.242E-01 0.230E-01 RMM: 4 -0.328814584992E+03 0.45975E-03 -0.11256E-03 4953 0.678E-02 0.963E-02 RMM: 5 -0.328814537137E+03 0.47855E-04 -0.14066E-04 3879 0.297E-02 0.857E-02 RMM: 6 -0.328814496132E+03 0.41005E-04 -0.33809E-05 2919 0.172E-02 0.520E-02 RMM: 7 -0.328814505978E+03 -0.98457E-05 -0.33049E-05 2668 0.165E-02 7782 T= 5677. E= 0.67575779E+03 F= 0.62745448E+03 E0= 0.65609165E+03 EK= 0.46233E+02 SP= 0.18E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329439056505E+03 -0.62456E+00 -0.14635E-01 8616 0.219E+01 0.211E-01 RMM: 2 -0.329459569917E+03 -0.20513E-01 -0.16876E-01 5159 0.859E-01 0.867E-01 RMM: 3 -0.329453338920E+03 0.62310E-02 -0.14691E-02 5985 0.233E-01 0.178E-01 RMM: 4 -0.329453000344E+03 0.33858E-03 -0.86296E-04 4917 0.627E-02 0.116E-01 RMM: 5 -0.329452928570E+03 0.71774E-04 -0.11984E-04 3776 0.277E-02 0.834E-02 RMM: 6 -0.329452890939E+03 0.37632E-04 -0.30062E-05 2808 0.169E-02 0.454E-02 RMM: 7 -0.329452895550E+03 -0.46107E-05 -0.24938E-05 2600 0.149E-02 7783 T= 5797. E= 0.67575143E+03 F= 0.62681609E+03 E0= 0.65545623E+03 EK= 0.47209E+02 SP= 0.14E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330279513241E+03 -0.82662E+00 -0.17099E-01 8944 0.222E+01 0.211E-01 RMM: 2 -0.330302463801E+03 -0.22951E-01 -0.18455E-01 5318 0.867E-01 0.937E-01 RMM: 3 -0.330294882623E+03 0.75812E-02 -0.14012E-02 6033 0.225E-01 0.184E-01 RMM: 4 -0.330294533468E+03 0.34916E-03 -0.84498E-04 4777 0.638E-02 0.132E-01 RMM: 5 -0.330294428204E+03 0.10526E-03 -0.13538E-04 3823 0.296E-02 0.862E-02 RMM: 6 -0.330294392292E+03 0.35912E-04 -0.35161E-05 2980 0.176E-02 0.568E-02 RMM: 7 -0.330294390115E+03 0.21770E-05 -0.43988E-05 2775 0.181E-02 7784 T= 5946. E= 0.67574348E+03 F= 0.62597460E+03 E0= 0.65461187E+03 EK= 0.48420E+02 SP= 0.98E+00 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331224188648E+03 -0.92980E+00 -0.19454E-01 9064 0.226E+01 0.214E-01 RMM: 2 -0.331247930888E+03 -0.23742E-01 -0.20317E-01 5335 0.909E-01 0.859E-01 RMM: 3 -0.331241207730E+03 0.67232E-02 -0.15265E-02 6150 0.233E-01 0.181E-01 RMM: 4 -0.331240846839E+03 0.36089E-03 -0.86232E-04 4822 0.642E-02 0.131E-01 RMM: 5 -0.331240737127E+03 0.10971E-03 -0.13308E-04 3823 0.289E-02 0.821E-02 RMM: 6 -0.331240707826E+03 0.29301E-04 -0.32521E-05 2883 0.172E-02 0.564E-02 RMM: 7 -0.331240708130E+03 -0.30481E-06 -0.37633E-05 2684 0.171E-02 7785 T= 6111. E= 0.67573497E+03 F= 0.62502828E+03 E0= 0.65365895E+03 EK= 0.49764E+02 SP= 0.54E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332173734935E+03 -0.93303E+00 -0.21524E-01 9104 0.229E+01 0.208E-01 RMM: 2 -0.332199588236E+03 -0.25853E-01 -0.22217E-01 5381 0.935E-01 0.867E-01 RMM: 3 -0.332192556120E+03 0.70321E-02 -0.16595E-02 6174 0.234E-01 0.187E-01 RMM: 4 -0.332192120993E+03 0.43513E-03 -0.88401E-04 4768 0.664E-02 0.141E-01 RMM: 5 -0.332191990519E+03 0.13047E-03 -0.14813E-04 3864 0.314E-02 0.814E-02 RMM: 6 -0.332191962260E+03 0.28259E-04 -0.35549E-05 2969 0.174E-02 0.589E-02 RMM: 7 -0.332191949320E+03 0.12940E-04 -0.51804E-05 2895 0.194E-02 7786 T= 6280. E= 0.67572710E+03 F= 0.62407704E+03 E0= 0.65269631E+03 EK= 0.51140E+02 SP= 0.90E-01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333040532505E+03 -0.84857E+00 -0.24429E-01 9104 0.233E+01 0.197E-01 RMM: 2 -0.333066540909E+03 -0.26008E-01 -0.23385E-01 5429 0.962E-01 0.774E-01 RMM: 3 -0.333060348535E+03 0.61924E-02 -0.16407E-02 6274 0.235E-01 0.171E-01 RMM: 4 -0.333059954273E+03 0.39426E-03 -0.82968E-04 4802 0.643E-02 0.132E-01 RMM: 5 -0.333059835895E+03 0.11838E-03 -0.13078E-04 3818 0.295E-02 0.782E-02 RMM: 6 -0.333059813136E+03 0.22760E-04 -0.31380E-05 2837 0.166E-02 0.597E-02 RMM: 7 -0.333059807582E+03 0.55542E-05 -0.45290E-05 2815 0.185E-02 7787 T= 6441. E= 0.67572032E+03 F= 0.62320918E+03 E0= 0.65181408E+03 EK= 0.52453E+02 SP= -.37E+00 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333755003272E+03 -0.69519E+00 -0.26000E-01 9080 0.237E+01 0.186E-01 RMM: 2 -0.333780130797E+03 -0.25128E-01 -0.23008E-01 5682 0.942E-01 0.706E-01 RMM: 3 -0.333774557856E+03 0.55729E-02 -0.13849E-02 6224 0.221E-01 0.161E-01 RMM: 4 -0.333774260722E+03 0.29713E-03 -0.73982E-04 4820 0.599E-02 0.137E-01 RMM: 5 -0.333774135194E+03 0.12553E-03 -0.11799E-04 3799 0.293E-02 0.725E-02 RMM: 6 -0.333774117898E+03 0.17295E-04 -0.31377E-05 2849 0.165E-02 7788 T= 6585. E= 0.67571560E+03 F= 0.62249487E+03 E0= 0.65108268E+03 EK= 0.53627E+02 SP= -.84E+00 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334270796352E+03 -0.49666E+00 -0.26227E-01 8760 0.240E+01 0.222E-01 RMM: 2 -0.334300338041E+03 -0.29542E-01 -0.22226E-01 5853 0.927E-01 0.112E+00 RMM: 3 -0.334289727570E+03 0.10610E-01 -0.13184E-02 5596 0.240E-01 0.199E-01 RMM: 4 -0.334289395779E+03 0.33179E-03 -0.10239E-03 4968 0.648E-02 0.105E-01 RMM: 5 -0.334289324042E+03 0.71737E-04 -0.11883E-04 4045 0.271E-02 0.749E-02 RMM: 6 -0.334289311014E+03 0.13029E-04 -0.28897E-05 2709 0.160E-02 7789 T= 6706. E= 0.67571330E+03 F= 0.62197968E+03 E0= 0.65054934E+03 EK= 0.54611E+02 SP= -.13E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334571821752E+03 -0.28250E+00 -0.25557E-01 8512 0.242E+01 0.393E-01 RMM: 2 -0.334626060144E+03 -0.54238E-01 -0.22605E-01 5373 0.980E-01 0.223E+00 RMM: 3 -0.334590066875E+03 0.35993E-01 -0.21539E-02 5381 0.340E-01 0.425E-01 RMM: 4 -0.334588763687E+03 0.13032E-02 -0.27349E-03 5244 0.108E-01 0.110E-01 RMM: 5 -0.334588747342E+03 0.16345E-04 -0.34694E-04 4655 0.342E-02 0.118E-01 RMM: 6 -0.334588665804E+03 0.81538E-04 -0.41950E-05 3041 0.189E-02 0.682E-02 RMM: 7 -0.334588692823E+03 -0.27018E-04 -0.50415E-05 3248 0.194E-02 0.949E-02 RMM: 8 -0.334588635507E+03 0.57315E-04 -0.11847E-04 3890 0.227E-02 0.392E-02 RMM: 9 -0.334588631146E+03 0.43613E-05 -0.19216E-05 2596 0.119E-02 7790 T= 6801. E= 0.67571319E+03 F= 0.62168036E+03 E0= 0.65023118E+03 EK= 0.55380E+02 SP= -.17E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334663314521E+03 -0.74679E-01 -0.24391E-01 8544 0.244E+01 0.327E-01 RMM: 2 -0.334706330681E+03 -0.43016E-01 -0.22467E-01 5474 0.974E-01 0.180E+00 RMM: 3 -0.334682008660E+03 0.24322E-01 -0.18093E-02 5409 0.312E-01 0.296E-01 RMM: 4 -0.334681580063E+03 0.42860E-03 -0.22662E-03 5323 0.103E-01 0.190E-01 RMM: 5 -0.334681497903E+03 0.82160E-04 -0.31817E-04 3996 0.411E-02 0.162E-01 RMM: 6 -0.334681326734E+03 0.17117E-03 -0.92680E-05 3618 0.275E-02 0.420E-02 RMM: 7 -0.334681346506E+03 -0.19772E-04 -0.33596E-05 2884 0.165E-02 7791 T= 6869. E= 0.67571415E+03 F= 0.62158764E+03 E0= 0.65012073E+03 EK= 0.55938E+02 SP= -.22E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334576333774E+03 0.10499E+00 -0.21559E-01 8704 0.245E+01 0.221E-01 RMM: 2 -0.334602259121E+03 -0.25925E-01 -0.19058E-01 5644 0.912E-01 0.109E+00 RMM: 3 -0.334592713068E+03 0.95461E-02 -0.13101E-02 5524 0.251E-01 0.238E-01 RMM: 4 -0.334592314871E+03 0.39820E-03 -0.10920E-03 4948 0.672E-02 0.907E-02 RMM: 5 -0.334592275598E+03 0.39273E-04 -0.12012E-04 3987 0.290E-02 0.850E-02 RMM: 6 -0.334592242641E+03 0.32957E-04 -0.29121E-05 2640 0.160E-02 0.606E-02 RMM: 7 -0.334592265563E+03 -0.22922E-04 -0.66029E-05 3462 0.222E-02 0.927E-02 RMM: 8 -0.334592208012E+03 0.57551E-04 -0.69185E-05 3590 0.206E-02 0.275E-02 RMM: 9 -0.334592206201E+03 0.18113E-05 -0.12602E-05 2479 0.102E-02 7792 T= 6914. E= 0.67571541E+03 F= 0.62167678E+03 E0= 0.65019333E+03 EK= 0.56303E+02 SP= -.26E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334332175693E+03 0.26003E+00 -0.19738E-01 8680 0.246E+01 0.199E-01 RMM: 2 -0.334354208888E+03 -0.22033E-01 -0.18240E-01 5342 0.909E-01 0.847E-01 RMM: 3 -0.334347759883E+03 0.64490E-02 -0.13480E-02 5697 0.244E-01 0.161E-01 RMM: 4 -0.334347606359E+03 0.15352E-03 -0.90949E-04 4822 0.671E-02 0.145E-01 RMM: 5 -0.334347477721E+03 0.12864E-03 -0.13869E-04 3857 0.316E-02 0.799E-02 RMM: 6 -0.334347441642E+03 0.36079E-04 -0.34339E-05 2902 0.177E-02 0.394E-02 RMM: 7 -0.334347445820E+03 -0.41778E-05 -0.21404E-05 2539 0.145E-02 7793 T= 6938. E= 0.67571583E+03 F= 0.62192154E+03 E0= 0.65042409E+03 EK= 0.56497E+02 SP= -.30E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333940037236E+03 0.40740E+00 -0.17373E-01 8696 0.247E+01 0.158E-01 RMM: 2 -0.333957592472E+03 -0.17555E-01 -0.15122E-01 5319 0.836E-01 0.706E-01 RMM: 3 -0.333952920975E+03 0.46715E-02 -0.11754E-02 5849 0.221E-01 0.149E-01 RMM: 4 -0.333952712576E+03 0.20840E-03 -0.65664E-04 4791 0.576E-02 0.964E-02 RMM: 5 -0.333952658279E+03 0.54297E-04 -0.84097E-05 3533 0.266E-02 0.612E-02 RMM: 6 -0.333952647367E+03 0.10911E-04 -0.24901E-05 2559 0.150E-02 7794 T= 6941. E= 0.67571501E+03 F= 0.62231634E+03 E0= 0.65080733E+03 EK= 0.56522E+02 SP= -.34E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333372316422E+03 0.58034E+00 -0.16545E-01 8264 0.248E+01 0.221E-01 RMM: 2 -0.333394538394E+03 -0.22222E-01 -0.14639E-01 5200 0.831E-01 0.113E+00 RMM: 3 -0.333384419385E+03 0.10119E-01 -0.12942E-02 5507 0.246E-01 0.200E-01 RMM: 4 -0.333384125312E+03 0.29407E-03 -0.10216E-03 4866 0.665E-02 0.990E-02 RMM: 5 -0.333384073722E+03 0.51591E-04 -0.11955E-04 3909 0.291E-02 0.737E-02 RMM: 6 -0.333384048245E+03 0.25477E-04 -0.27910E-05 2651 0.159E-02 0.511E-02 RMM: 7 -0.333384061940E+03 -0.13694E-04 -0.28335E-05 2610 0.163E-02 7795 T= 6920. E= 0.67571298E+03 F= 0.62288493E+03 E0= 0.65136879E+03 EK= 0.56355E+02 SP= -.38E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332587665386E+03 0.79638E+00 -0.15663E-01 8480 0.248E+01 0.243E-01 RMM: 2 -0.332610740836E+03 -0.23075E-01 -0.14445E-01 5002 0.843E-01 0.123E+00 RMM: 3 -0.332599569978E+03 0.11171E-01 -0.14361E-02 5504 0.263E-01 0.248E-01 RMM: 4 -0.332599143553E+03 0.42643E-03 -0.12617E-03 4828 0.758E-02 0.111E-01 RMM: 5 -0.332599120897E+03 0.22655E-04 -0.17952E-04 3895 0.358E-02 0.105E-01 RMM: 6 -0.332599050047E+03 0.70850E-04 -0.52084E-05 3228 0.214E-02 0.394E-02 RMM: 7 -0.332599056656E+03 -0.66090E-05 -0.18801E-05 2529 0.139E-02 7796 T= 6871. E= 0.67571130E+03 F= 0.62366993E+03 E0= 0.65215216E+03 EK= 0.55951E+02 SP= -.42E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331546874452E+03 0.10522E+01 -0.15282E-01 8696 0.247E+01 0.196E-01 RMM: 2 -0.331566650586E+03 -0.19776E-01 -0.15248E-01 5186 0.832E-01 0.930E-01 RMM: 3 -0.331559543425E+03 0.71072E-02 -0.13450E-02 5680 0.239E-01 0.176E-01 RMM: 4 -0.331559268150E+03 0.27527E-03 -0.86920E-04 4988 0.614E-02 0.109E-01 RMM: 5 -0.331559197351E+03 0.70799E-04 -0.10044E-04 3711 0.283E-02 0.743E-02 RMM: 6 -0.331559176095E+03 0.21256E-04 -0.27790E-05 2617 0.159E-02 0.586E-02 RMM: 7 -0.331559179830E+03 -0.37350E-05 -0.33675E-05 2688 0.167E-02 7797 T= 6788. E= 0.67571190E+03 F= 0.62470981E+03 E0= 0.65319694E+03 EK= 0.55277E+02 SP= -.45E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330242341768E+03 0.13168E+01 -0.15728E-01 8536 0.245E+01 0.184E-01 RMM: 2 -0.330262245687E+03 -0.19904E-01 -0.16984E-01 5087 0.893E-01 0.782E-01 RMM: 3 -0.330256936838E+03 0.53088E-02 -0.16080E-02 5922 0.243E-01 0.181E-01 RMM: 4 -0.330256551574E+03 0.38526E-03 -0.83560E-04 4824 0.646E-02 0.108E-01 RMM: 5 -0.330256482273E+03 0.69301E-04 -0.11044E-04 3733 0.287E-02 0.720E-02 RMM: 6 -0.330256461942E+03 0.20331E-04 -0.26947E-05 2623 0.158E-02 0.526E-02 RMM: 7 -0.330256465326E+03 -0.33841E-05 -0.21893E-05 2576 0.145E-02 7798 T= 6671. E= 0.67571556E+03 F= 0.62601252E+03 E0= 0.65451277E+03 EK= 0.54326E+02 SP= -.48E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328711566884E+03 0.15449E+01 -0.15742E-01 8712 0.243E+01 0.175E-01 RMM: 2 -0.328731087951E+03 -0.19521E-01 -0.17004E-01 5246 0.870E-01 0.752E-01 RMM: 3 -0.328725884022E+03 0.52039E-02 -0.14503E-02 5910 0.235E-01 0.153E-01 RMM: 4 -0.328725609227E+03 0.27479E-03 -0.76602E-04 4886 0.601E-02 0.111E-01 RMM: 5 -0.328725534340E+03 0.74887E-04 -0.98691E-05 3686 0.270E-02 0.733E-02 RMM: 6 -0.328725514524E+03 0.19815E-04 -0.26702E-05 2583 0.156E-02 7799 T= 6525. E= 0.67572189E+03 F= 0.62754347E+03 E0= 0.65606527E+03 EK= 0.53137E+02 SP= -.52E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327026279664E+03 0.16993E+01 -0.15526E-01 8472 0.239E+01 0.220E-01 RMM: 2 -0.327052608262E+03 -0.26329E-01 -0.18162E-01 5258 0.892E-01 0.118E+00 RMM: 3 -0.327041582100E+03 0.11026E-01 -0.16266E-02 5668 0.257E-01 0.239E-01 RMM: 4 -0.327041060859E+03 0.52124E-03 -0.11223E-03 4944 0.696E-02 0.951E-02 RMM: 5 -0.327041018186E+03 0.42673E-04 -0.12329E-04 4153 0.269E-02 0.821E-02 RMM: 6 -0.327041000920E+03 0.17266E-04 -0.23221E-05 2567 0.141E-02 7800 T= 6359. E= 0.67573049E+03 F= 0.62922799E+03 E0= 0.65777912E+03 EK= 0.51787E+02 SP= -.55E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325299515758E+03 0.17415E+01 -0.14864E-01 8744 0.235E+01 0.351E-01 RMM: 2 -0.325341313985E+03 -0.41798E-01 -0.17350E-01 5101 0.900E-01 0.198E+00 RMM: 3 -0.325313272765E+03 0.28041E-01 -0.20531E-02 5432 0.325E-01 0.369E-01 RMM: 4 -0.325312226467E+03 0.10463E-02 -0.22214E-03 5057 0.963E-02 0.998E-02 RMM: 5 -0.325312188881E+03 0.37586E-04 -0.27396E-04 4779 0.317E-02 0.932E-02 RMM: 6 -0.325312147632E+03 0.41248E-04 -0.27138E-05 2646 0.159E-02 0.696E-02 RMM: 7 -0.325312176040E+03 -0.28408E-04 -0.43306E-05 3063 0.187E-02 0.993E-02 RMM: 8 -0.325312124298E+03 0.51742E-04 -0.14694E-04 3898 0.252E-02 0.540E-02 RMM: 9 -0.325312107869E+03 0.16429E-04 -0.23687E-05 2625 0.135E-02 7801 T= 6188. E= 0.67574016E+03 F= 0.63095688E+03 E0= 0.65954394E+03 EK= 0.50390E+02 SP= -.58E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323650718106E+03 0.16614E+01 -0.14883E-01 8688 0.232E+01 0.302E-01 RMM: 2 -0.323680468489E+03 -0.29750E-01 -0.18239E-01 5158 0.887E-01 0.140E+00 RMM: 3 -0.323665285551E+03 0.15183E-01 -0.17545E-02 5510 0.280E-01 0.275E-01 RMM: 4 -0.323664919669E+03 0.36588E-03 -0.19903E-03 5068 0.999E-02 0.209E-01 RMM: 5 -0.323664779711E+03 0.13996E-03 -0.35674E-04 3937 0.457E-02 0.162E-01 RMM: 6 -0.323664615342E+03 0.16437E-03 -0.11064E-04 3782 0.300E-02 0.485E-02 RMM: 7 -0.323664631641E+03 -0.16300E-04 -0.35047E-05 2949 0.168E-02 7802 T= 6027. E= 0.67574908E+03 F= 0.63260436E+03 E0= 0.66123077E+03 EK= 0.49077E+02 SP= -.62E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322205890182E+03 0.14587E+01 -0.14743E-01 8992 0.228E+01 0.229E-01 RMM: 2 -0.322229107514E+03 -0.23217E-01 -0.15579E-01 5346 0.825E-01 0.117E+00 RMM: 3 -0.322218440343E+03 0.10667E-01 -0.12979E-02 5810 0.234E-01 0.244E-01 RMM: 4 -0.322217925846E+03 0.51450E-03 -0.10029E-03 4778 0.677E-02 0.832E-02 RMM: 5 -0.322217896403E+03 0.29443E-04 -0.13168E-04 3926 0.277E-02 0.840E-02 RMM: 6 -0.322217855310E+03 0.41094E-04 -0.26698E-05 2666 0.157E-02 0.495E-02 RMM: 7 -0.322217860572E+03 -0.52618E-05 -0.29413E-05 2703 0.160E-02 7803 T= 5891. E= 0.67575593E+03 F= 0.63405113E+03 E0= 0.66271805E+03 EK= 0.47971E+02 SP= -.65E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321058425729E+03 0.11594E+01 -0.14348E-01 8800 0.226E+01 0.218E-01 RMM: 2 -0.321080245331E+03 -0.21820E-01 -0.15437E-01 5260 0.826E-01 0.106E+00 RMM: 3 -0.321071087270E+03 0.91581E-02 -0.13599E-02 5726 0.237E-01 0.178E-01 RMM: 4 -0.321070792839E+03 0.29443E-03 -0.95760E-04 5057 0.629E-02 0.108E-01 RMM: 5 -0.321070721407E+03 0.71432E-04 -0.11564E-04 3772 0.276E-02 0.776E-02 RMM: 6 -0.321070687192E+03 0.34214E-04 -0.29156E-05 2781 0.165E-02 0.441E-02 RMM: 7 -0.321070687844E+03 -0.65134E-06 -0.18680E-05 2530 0.131E-02 7804 T= 5793. E= 0.67576027E+03 F= 0.63519830E+03 E0= 0.66390518E+03 EK= 0.47176E+02 SP= -.69E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320280028626E+03 0.79066E+00 -0.13902E-01 8720 0.226E+01 0.216E-01 RMM: 2 -0.320300699422E+03 -0.20671E-01 -0.15151E-01 5219 0.830E-01 0.102E+00 RMM: 3 -0.320292596439E+03 0.81030E-02 -0.13909E-02 5767 0.237E-01 0.219E-01 RMM: 4 -0.320292149340E+03 0.44710E-03 -0.95441E-04 4910 0.647E-02 0.997E-02 RMM: 5 -0.320292102718E+03 0.46622E-04 -0.12779E-04 3810 0.292E-02 0.847E-02 RMM: 6 -0.320292059640E+03 0.43078E-04 -0.31365E-05 2853 0.169E-02 0.505E-02 RMM: 7 -0.320292062888E+03 -0.32486E-05 -0.28667E-05 2629 0.158E-02 7805 T= 5743. E= 0.67576228E+03 F= 0.63597693E+03 E0= 0.66472236E+03 EK= 0.46767E+02 SP= -.74E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319906422101E+03 0.38564E+00 -0.13298E-01 8736 0.226E+01 0.235E-01 RMM: 2 -0.319927871651E+03 -0.21450E-01 -0.14621E-01 5115 0.836E-01 0.111E+00 RMM: 3 -0.319918614245E+03 0.92574E-02 -0.14952E-02 5749 0.247E-01 0.221E-01 RMM: 4 -0.319918174127E+03 0.44012E-03 -0.10648E-03 4910 0.678E-02 0.106E-01 RMM: 5 -0.319918127831E+03 0.46296E-04 -0.14043E-04 3840 0.302E-02 0.899E-02 RMM: 6 -0.319918081387E+03 0.46445E-04 -0.34437E-05 2963 0.176E-02 0.465E-02 RMM: 7 -0.319918085024E+03 -0.36378E-05 -0.21991E-05 2546 0.144E-02 7806 T= 5745. E= 0.67576234E+03 F= 0.63635090E+03 E0= 0.66513316E+03 EK= 0.46786E+02 SP= -.78E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319945538791E+03 -0.27457E-01 -0.12913E-01 8504 0.228E+01 0.235E-01 RMM: 2 -0.319968909798E+03 -0.23371E-01 -0.15495E-01 4939 0.883E-01 0.119E+00 RMM: 3 -0.319958825216E+03 0.10085E-01 -0.16960E-02 5741 0.260E-01 0.256E-01 RMM: 4 -0.319958214144E+03 0.61107E-03 -0.11712E-03 4882 0.734E-02 0.100E-01 RMM: 5 -0.319958172113E+03 0.42031E-04 -0.16122E-04 3911 0.313E-02 0.892E-02 RMM: 6 -0.319958124095E+03 0.48018E-04 -0.34721E-05 2918 0.175E-02 0.508E-02 RMM: 7 -0.319958126233E+03 -0.21388E-05 -0.23522E-05 2566 0.147E-02 7807 T= 5801. E= 0.67576085E+03 F= 0.63631086E+03 E0= 0.66512926E+03 EK= 0.47244E+02 SP= -.83E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320390303741E+03 -0.43218E+00 -0.12414E-01 8416 0.231E+01 0.240E-01 RMM: 2 -0.320413402819E+03 -0.23099E-01 -0.14706E-01 4880 0.877E-01 0.122E+00 RMM: 3 -0.320403023396E+03 0.10379E-01 -0.17141E-02 5669 0.267E-01 0.246E-01 RMM: 4 -0.320402492598E+03 0.53080E-03 -0.12195E-03 5001 0.715E-02 0.965E-02 RMM: 5 -0.320402453194E+03 0.39404E-04 -0.15541E-04 3927 0.319E-02 0.891E-02 RMM: 6 -0.320402407378E+03 0.45816E-04 -0.35663E-05 2981 0.173E-02 0.496E-02 RMM: 7 -0.320402412289E+03 -0.49111E-05 -0.26853E-05 2596 0.159E-02 7808 T= 5911. E= 0.67575811E+03 F= 0.63586658E+03 E0= 0.66472091E+03 EK= 0.48135E+02 SP= -.88E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321213154078E+03 -0.81075E+00 -0.12038E-01 7936 0.234E+01 0.241E-01 RMM: 2 -0.321233149444E+03 -0.19995E-01 -0.13249E-01 4957 0.841E-01 0.114E+00 RMM: 3 -0.321224207311E+03 0.89421E-02 -0.15145E-02 5716 0.252E-01 0.242E-01 RMM: 4 -0.321223712879E+03 0.49443E-03 -0.11139E-03 4829 0.705E-02 0.107E-01 RMM: 5 -0.321223679808E+03 0.33070E-04 -0.16027E-04 3867 0.320E-02 0.102E-01 RMM: 6 -0.321223615717E+03 0.64092E-04 -0.42746E-05 3085 0.193E-02 0.454E-02 RMM: 7 -0.321223618332E+03 -0.26153E-05 -0.21566E-05 2538 0.142E-02 7809 T= 6070. E= 0.67575396E+03 F= 0.63504537E+03 E0= 0.66393652E+03 EK= 0.49433E+02 SP= -.93E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322360559955E+03 -0.11369E+01 -0.11840E-01 7712 0.238E+01 0.219E-01 RMM: 2 -0.322377912901E+03 -0.17353E-01 -0.11739E-01 4999 0.791E-01 0.103E+00 RMM: 3 -0.322370416987E+03 0.74959E-02 -0.13223E-02 5653 0.234E-01 0.220E-01 RMM: 4 -0.322370023442E+03 0.39355E-03 -0.93957E-04 4830 0.647E-02 0.997E-02 RMM: 5 -0.322369982200E+03 0.41242E-04 -0.13343E-04 3853 0.301E-02 0.906E-02 RMM: 6 -0.322369934469E+03 0.47732E-04 -0.34339E-05 2953 0.174E-02 0.454E-02 RMM: 7 -0.322369936530E+03 -0.20610E-05 -0.22892E-05 2539 0.146E-02 7810 T= 6273. E= 0.67574749E+03 F= 0.63389905E+03 E0= 0.66282690E+03 EK= 0.51084E+02 SP= -.98E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323741808921E+03 -0.13719E+01 -0.12302E-01 7696 0.242E+01 0.205E-01 RMM: 2 -0.323757321907E+03 -0.15513E-01 -0.11614E-01 5034 0.798E-01 0.918E-01 RMM: 3 -0.323751573311E+03 0.57486E-02 -0.12825E-02 5779 0.221E-01 0.187E-01 RMM: 4 -0.323751229745E+03 0.34357E-03 -0.81517E-04 4791 0.622E-02 0.108E-01 RMM: 5 -0.323751174568E+03 0.55178E-04 -0.12258E-04 3805 0.285E-02 0.907E-02 RMM: 6 -0.323751127494E+03 0.47074E-04 -0.33272E-05 2881 0.176E-02 0.437E-02 RMM: 7 -0.323751128474E+03 -0.98026E-06 -0.18583E-05 2518 0.131E-02 7811 T= 6508. E= 0.67573843E+03 F= 0.63251786E+03 E0= 0.66148129E+03 EK= 0.52994E+02 SP= -.10E+02 SK= 0.60E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325224219429E+03 -0.14731E+01 -0.13328E-01 7888 0.247E+01 0.199E-01 RMM: 2 -0.325241595790E+03 -0.17376E-01 -0.13772E-01 4963 0.860E-01 0.885E-01 RMM: 3 -0.325236080228E+03 0.55156E-02 -0.15455E-02 5926 0.234E-01 0.193E-01 RMM: 4 -0.325235671563E+03 0.40866E-03 -0.83695E-04 4840 0.652E-02 0.121E-01 RMM: 5 -0.325235584799E+03 0.86764E-04 -0.13495E-04 3861 0.307E-02 0.848E-02 RMM: 6 -0.325235549971E+03 0.34829E-04 -0.32860E-05 2843 0.171E-02 0.529E-02 RMM: 7 -0.325235546223E+03 0.37473E-05 -0.24412E-05 2578 0.148E-02 7812 T= 6757. E= 0.67572770E+03 F= 0.63103344E+03 E0= 0.66002958E+03 EK= 0.55026E+02 SP= -.11E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326653232770E+03 -0.14177E+01 -0.15339E-01 8264 0.251E+01 0.212E-01 RMM: 2 -0.326673679803E+03 -0.20447E-01 -0.16524E-01 5061 0.928E-01 0.931E-01 RMM: 3 -0.326667319553E+03 0.63603E-02 -0.17390E-02 5996 0.244E-01 0.191E-01 RMM: 4 -0.326666865263E+03 0.45429E-03 -0.94989E-04 4861 0.705E-02 0.139E-01 RMM: 5 -0.326666748761E+03 0.11650E-03 -0.15084E-04 3891 0.320E-02 0.894E-02 RMM: 6 -0.326666714868E+03 0.33893E-04 -0.33412E-05 2843 0.175E-02 0.618E-02 RMM: 7 -0.326666708611E+03 0.62565E-05 -0.26934E-05 2611 0.152E-02 7813 T= 7001. E= 0.67571754E+03 F= 0.62960228E+03 E0= 0.65862609E+03 EK= 0.57015E+02 SP= -.11E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327880647899E+03 -0.12139E+01 -0.16334E-01 8472 0.255E+01 0.225E-01 RMM: 2 -0.327904165119E+03 -0.23517E-01 -0.19075E-01 5051 0.989E-01 0.984E-01 RMM: 3 -0.327897132871E+03 0.70322E-02 -0.19550E-02 5967 0.264E-01 0.217E-01 RMM: 4 -0.327896608836E+03 0.52404E-03 -0.10798E-03 4870 0.738E-02 0.149E-01 RMM: 5 -0.327896469986E+03 0.13885E-03 -0.16910E-04 3908 0.343E-02 0.953E-02 RMM: 6 -0.327896436492E+03 0.33494E-04 -0.38455E-05 2969 0.183E-02 0.715E-02 RMM: 7 -0.327896425043E+03 0.11450E-04 -0.34637E-05 2671 0.168E-02 7814 T= 7221. E= 0.67571042E+03 F= 0.62837256E+03 E0= 0.65741735E+03 EK= 0.58803E+02 SP= -.12E+02 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328801437797E+03 -0.90500E+00 -0.16491E-01 8864 0.257E+01 0.235E-01 RMM: 2 -0.328825776912E+03 -0.24339E-01 -0.18385E-01 5327 0.922E-01 0.110E+00 RMM: 3 -0.328816683863E+03 0.90930E-02 -0.16348E-02 5940 0.246E-01 0.217E-01 RMM: 4 -0.328816239486E+03 0.44438E-03 -0.10700E-03 4765 0.717E-02 0.149E-01 RMM: 5 -0.328816100658E+03 0.13883E-03 -0.16599E-04 3892 0.332E-02 0.967E-02 RMM: 6 -0.328816068131E+03 0.32527E-04 -0.36431E-05 2915 0.182E-02 0.751E-02 RMM: 7 -0.328816057276E+03 0.10855E-04 -0.36987E-05 2679 0.172E-02 7815 T= 7401. E= 0.67570682E+03 F= 0.62745293E+03 E0= 0.65650998E+03 EK= 0.60270E+02 SP= -.12E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329349390694E+03 -0.53332E+00 -0.18292E-01 8880 0.258E+01 0.225E-01 RMM: 2 -0.329375045576E+03 -0.25655E-01 -0.20319E-01 5321 0.953E-01 0.105E+00 RMM: 3 -0.329366378059E+03 0.86675E-02 -0.17365E-02 6007 0.252E-01 0.217E-01 RMM: 4 -0.329365918541E+03 0.45952E-03 -0.10495E-03 4806 0.705E-02 0.144E-01 RMM: 5 -0.329365792860E+03 0.12568E-03 -0.15861E-04 3882 0.327E-02 0.937E-02 RMM: 6 -0.329365764245E+03 0.28615E-04 -0.37202E-05 2964 0.181E-02 0.746E-02 RMM: 7 -0.329365755835E+03 0.84099E-05 -0.43581E-05 2772 0.183E-02 7816 T= 7533. E= 0.67570599E+03 F= 0.62690323E+03 E0= 0.65596412E+03 EK= 0.61342E+02 SP= -.13E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329511404080E+03 -0.14564E+00 -0.19244E-01 8824 0.259E+01 0.216E-01 RMM: 2 -0.329536940767E+03 -0.25537E-01 -0.20194E-01 5533 0.901E-01 0.103E+00 RMM: 3 -0.329527468332E+03 0.94724E-02 -0.13500E-02 5833 0.235E-01 0.212E-01 RMM: 4 -0.329527125402E+03 0.34293E-03 -0.10578E-03 4859 0.677E-02 0.131E-01 RMM: 5 -0.329527019614E+03 0.10579E-03 -0.14294E-04 3870 0.309E-02 0.931E-02 RMM: 6 -0.329526985551E+03 0.34063E-04 -0.37490E-05 2983 0.185E-02 0.677E-02 RMM: 7 -0.329526988164E+03 -0.26135E-05 -0.38530E-05 2723 0.173E-02 7817 T= 7612. E= 0.67570710E+03 F= 0.62674200E+03 E0= 0.65579866E+03 EK= 0.61989E+02 SP= -.13E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329293795242E+03 0.23319E+00 -0.20389E-01 8760 0.258E+01 0.213E-01 RMM: 2 -0.329319678651E+03 -0.25883E-01 -0.21064E-01 5498 0.923E-01 0.985E-01 RMM: 3 -0.329310908604E+03 0.87700E-02 -0.15078E-02 5845 0.251E-01 0.198E-01 RMM: 4 -0.329310610232E+03 0.29837E-03 -0.10887E-03 4915 0.669E-02 0.126E-01 RMM: 5 -0.329310522389E+03 0.87844E-04 -0.14892E-04 3853 0.315E-02 0.889E-02 RMM: 6 -0.329310487981E+03 0.34408E-04 -0.39712E-05 3023 0.187E-02 0.609E-02 RMM: 7 -0.329310499432E+03 -0.11450E-04 -0.49125E-05 3092 0.193E-02 7818 T= 7640. E= 0.67570940E+03 F= 0.62695849E+03 E0= 0.65600552E+03 EK= 0.62213E+02 SP= -.14E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328730370893E+03 0.58012E+00 -0.21815E-01 8576 0.257E+01 0.209E-01 RMM: 2 -0.328755867408E+03 -0.25497E-01 -0.20799E-01 5817 0.912E-01 0.943E-01 RMM: 3 -0.328747572367E+03 0.82950E-02 -0.12233E-02 5575 0.239E-01 0.228E-01 RMM: 4 -0.328747232632E+03 0.33973E-03 -0.10753E-03 4912 0.685E-02 0.112E-01 RMM: 5 -0.328747173772E+03 0.58861E-04 -0.15334E-04 3869 0.317E-02 0.977E-02 RMM: 6 -0.328747123633E+03 0.50139E-04 -0.45283E-05 3126 0.200E-02 0.561E-02 RMM: 7 -0.328747142991E+03 -0.19359E-04 -0.39523E-05 2853 0.178E-02 7819 T= 7619. E= 0.67571304E+03 F= 0.62752185E+03 E0= 0.65655624E+03 EK= 0.62041E+02 SP= -.14E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327869528873E+03 0.87759E+00 -0.22744E-01 8664 0.255E+01 0.231E-01 RMM: 2 -0.327896471060E+03 -0.26942E-01 -0.21500E-01 5814 0.938E-01 0.103E+00 RMM: 3 -0.327887372621E+03 0.90984E-02 -0.12664E-02 5625 0.252E-01 0.205E-01 RMM: 4 -0.327887103217E+03 0.26940E-03 -0.10428E-03 4904 0.668E-02 0.118E-01 RMM: 5 -0.327887042687E+03 0.60530E-04 -0.13707E-04 3867 0.307E-02 0.993E-02 RMM: 6 -0.327886988122E+03 0.54565E-04 -0.44335E-05 3094 0.198E-02 0.510E-02 RMM: 7 -0.327887009617E+03 -0.21496E-04 -0.38908E-05 2916 0.183E-02 0.810E-02 RMM: 8 -0.327886978977E+03 0.30640E-04 -0.54208E-05 3009 0.184E-02 0.452E-02 RMM: 9 -0.327886968158E+03 0.10819E-04 -0.19127E-05 2505 0.125E-02 7820 T= 7555. E= 0.67571797E+03 F= 0.62838202E+03 E0= 0.65740344E+03 EK= 0.61521E+02 SP= -.14E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326777118274E+03 0.11099E+01 -0.23065E-01 8584 0.252E+01 0.196E-01 RMM: 2 -0.326801958926E+03 -0.24841E-01 -0.21992E-01 6271 0.947E-01 0.775E-01 RMM: 3 -0.326796060802E+03 0.58981E-02 -0.11265E-02 5533 0.235E-01 0.170E-01 RMM: 4 -0.326796000963E+03 0.59839E-04 -0.91952E-04 4893 0.670E-02 0.182E-01 RMM: 5 -0.326795777913E+03 0.22305E-03 -0.16226E-04 3907 0.350E-02 0.750E-02 RMM: 6 -0.326795748526E+03 0.29387E-04 -0.42976E-05 3055 0.196E-02 0.476E-02 RMM: 7 -0.326795759625E+03 -0.11099E-04 -0.38290E-05 2684 0.174E-02 7821 T= 7456. E= 0.67572378E+03 F= 0.62947323E+03 E0= 0.65848130E+03 EK= 0.60720E+02 SP= -.15E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325536560181E+03 0.12592E+01 -0.22430E-01 8528 0.249E+01 0.228E-01 RMM: 2 -0.325563652036E+03 -0.27092E-01 -0.22357E-01 5819 0.975E-01 0.969E-01 RMM: 3 -0.325555386443E+03 0.82656E-02 -0.13676E-02 5854 0.247E-01 0.200E-01 RMM: 4 -0.325555098228E+03 0.28821E-03 -0.94104E-04 4838 0.662E-02 0.127E-01 RMM: 5 -0.325555012440E+03 0.85788E-04 -0.13113E-04 3854 0.298E-02 0.916E-02 RMM: 6 -0.325554977586E+03 0.34854E-04 -0.40410E-05 3021 0.188E-02 0.628E-02 RMM: 7 -0.325555016333E+03 -0.38746E-04 -0.68570E-05 3557 0.212E-02 0.102E-01 RMM: 8 -0.325554955556E+03 0.60777E-04 -0.58380E-05 3377 0.203E-02 0.338E-02 RMM: 9 -0.325554954753E+03 0.80221E-06 -0.17840E-05 2506 0.122E-02 7822 T= 7334. E= 0.67573083E+03 F= 0.63071403E+03 E0= 0.65970835E+03 EK= 0.59726E+02 SP= -.15E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324240294359E+03 0.13147E+01 -0.22974E-01 8656 0.246E+01 0.218E-01 RMM: 2 -0.324268330623E+03 -0.28036E-01 -0.24944E-01 5554 0.105E+00 0.837E-01 RMM: 3 -0.324261513517E+03 0.68171E-02 -0.17312E-02 5959 0.259E-01 0.192E-01 RMM: 4 -0.324261263477E+03 0.25004E-03 -0.11220E-03 4969 0.783E-02 0.188E-01 RMM: 5 -0.324261043093E+03 0.22038E-03 -0.21006E-04 3922 0.365E-02 0.958E-02 RMM: 6 -0.324260990504E+03 0.52589E-04 -0.49427E-05 3179 0.210E-02 0.441E-02 RMM: 7 -0.324261000406E+03 -0.99019E-05 -0.29191E-05 2593 0.155E-02 7823 T= 7201. E= 0.67573729E+03 F= 0.63200799E+03 E0= 0.66098686E+03 EK= 0.58638E+02 SP= -.15E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322983565073E+03 0.12774E+01 -0.21178E-01 8872 0.244E+01 0.227E-01 RMM: 2 -0.323010754470E+03 -0.27189E-01 -0.21923E-01 5652 0.962E-01 0.990E-01 RMM: 3 -0.323001664810E+03 0.90897E-02 -0.14072E-02 5997 0.244E-01 0.210E-01 RMM: 4 -0.323001322594E+03 0.34222E-03 -0.94644E-04 4797 0.671E-02 0.119E-01 RMM: 5 -0.323001250585E+03 0.72010E-04 -0.13206E-04 3907 0.289E-02 0.919E-02 RMM: 6 -0.323001218316E+03 0.32268E-04 -0.35212E-05 2864 0.179E-02 0.652E-02 RMM: 7 -0.323001259124E+03 -0.40807E-04 -0.90623E-05 3839 0.241E-02 0.104E-01 RMM: 8 -0.323001196322E+03 0.62801E-04 -0.66063E-05 3548 0.213E-02 0.352E-02 RMM: 9 -0.323001195691E+03 0.63141E-06 -0.16137E-05 2513 0.117E-02 7824 T= 7067. E= 0.67574118E+03 F= 0.63326779E+03 E0= 0.66222782E+03 EK= 0.57548E+02 SP= -.15E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321807518922E+03 0.11937E+01 -0.20828E-01 8552 0.242E+01 0.234E-01 RMM: 2 -0.321836600831E+03 -0.29082E-01 -0.24712E-01 5263 0.105E+00 0.960E-01 RMM: 3 -0.321828329952E+03 0.82709E-02 -0.19333E-02 6061 0.268E-01 0.176E-01 RMM: 4 -0.321828077479E+03 0.25247E-03 -0.11439E-03 4864 0.782E-02 0.196E-01 RMM: 5 -0.321827864106E+03 0.21337E-03 -0.20819E-04 3920 0.368E-02 0.102E-01 RMM: 6 -0.321827799597E+03 0.64510E-04 -0.58805E-05 3297 0.226E-02 0.381E-02 RMM: 7 -0.321827807168E+03 -0.75709E-05 -0.21162E-05 2542 0.137E-02 7825 T= 6940. E= 0.67574196E+03 F= 0.63444118E+03 E0= 0.66337858E+03 EK= 0.56515E+02 SP= -.15E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320732507535E+03 0.10953E+01 -0.18801E-01 8944 0.240E+01 0.186E-01 RMM: 2 -0.320754560493E+03 -0.22053E-01 -0.19356E-01 5817 0.889E-01 0.762E-01 RMM: 3 -0.320748621855E+03 0.59386E-02 -0.11320E-02 5946 0.215E-01 0.182E-01 RMM: 4 -0.320748343314E+03 0.27854E-03 -0.73866E-04 4839 0.586E-02 0.108E-01 RMM: 5 -0.320748279712E+03 0.63602E-04 -0.96606E-05 3722 0.245E-02 0.772E-02 RMM: 6 -0.320748268633E+03 0.11079E-04 -0.28229E-05 2640 0.161E-02 7826 T= 6822. E= 0.67574082E+03 F= 0.63552072E+03 E0= 0.66443196E+03 EK= 0.55554E+02 SP= -.15E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319718455215E+03 0.10298E+01 -0.19789E-01 8952 0.240E+01 0.296E-01 RMM: 2 -0.319755142798E+03 -0.36688E-01 -0.21451E-01 5364 0.973E-01 0.157E+00 RMM: 3 -0.319736593056E+03 0.18550E-01 -0.18419E-02 5429 0.306E-01 0.332E-01 RMM: 4 -0.319735828397E+03 0.76466E-03 -0.18890E-03 5083 0.879E-02 0.117E-01 RMM: 5 -0.319735785977E+03 0.42420E-04 -0.22125E-04 4105 0.334E-02 0.108E-01 RMM: 6 -0.319735735788E+03 0.50190E-04 -0.40040E-05 2995 0.187E-02 0.719E-02 RMM: 7 -0.319735762330E+03 -0.26542E-04 -0.45032E-05 3145 0.195E-02 0.929E-02 RMM: 8 -0.319735742595E+03 0.19735E-04 -0.11240E-04 3899 0.219E-02 7827 T= 6710. E= 0.67573852E+03 F= 0.63653325E+03 E0= 0.66541706E+03 EK= 0.54644E+02 SP= -.15E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318738233627E+03 0.99753E+00 -0.20332E-01 8952 0.240E+01 0.351E-01 RMM: 2 -0.318779219966E+03 -0.40986E-01 -0.21173E-01 5248 0.967E-01 0.182E+00 RMM: 3 -0.318755505746E+03 0.23714E-01 -0.19381E-02 5439 0.309E-01 0.356E-01 RMM: 4 -0.318754666963E+03 0.83878E-03 -0.24292E-03 5134 0.105E-01 0.162E-01 RMM: 5 -0.318754648430E+03 0.18533E-04 -0.35331E-04 3954 0.427E-02 0.158E-01 RMM: 6 -0.318754498444E+03 0.14999E-03 -0.97368E-05 3692 0.277E-02 0.560E-02 RMM: 7 -0.318754499020E+03 -0.57583E-06 -0.26490E-05 2653 0.149E-02 7828 T= 6601. E= 0.67573798E+03 F= 0.63751449E+03 E0= 0.66637285E+03 EK= 0.53757E+02 SP= -.16E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317775725821E+03 0.97877E+00 -0.21181E-01 8896 0.239E+01 0.218E-01 RMM: 2 -0.317802350315E+03 -0.26624E-01 -0.20663E-01 5796 0.928E-01 0.105E+00 RMM: 3 -0.317793496122E+03 0.88542E-02 -0.13679E-02 5618 0.247E-01 0.219E-01 RMM: 4 -0.317793138313E+03 0.35781E-03 -0.10678E-03 5097 0.641E-02 0.115E-01 RMM: 5 -0.317793078419E+03 0.59894E-04 -0.11821E-04 3868 0.277E-02 0.909E-02 RMM: 6 -0.317793054973E+03 0.23446E-04 -0.31421E-05 2801 0.167E-02 0.771E-02 RMM: 7 -0.317793103410E+03 -0.48437E-04 -0.99884E-05 3865 0.254E-02 0.114E-01 RMM: 8 -0.317793034004E+03 0.69406E-04 -0.99177E-05 3883 0.234E-02 0.498E-02 RMM: 9 -0.317793021525E+03 0.12479E-04 -0.20071E-05 2593 0.128E-02 7829 T= 6494. E= 0.67574060E+03 F= 0.63847597E+03 E0= 0.66731391E+03 EK= 0.52887E+02 SP= -.16E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316862865650E+03 0.93017E+00 -0.21676E-01 8976 0.238E+01 0.266E-01 RMM: 2 -0.316893500206E+03 -0.30635E-01 -0.21059E-01 5443 0.938E-01 0.131E+00 RMM: 3 -0.316880241227E+03 0.13259E-01 -0.15979E-02 5778 0.261E-01 0.189E-01 RMM: 4 -0.316880014348E+03 0.22688E-03 -0.12948E-03 4765 0.755E-02 0.179E-01 RMM: 5 -0.316879849218E+03 0.16513E-03 -0.19741E-04 3904 0.347E-02 0.102E-01 RMM: 6 -0.316879788060E+03 0.61158E-04 -0.51739E-05 3215 0.212E-02 0.486E-02 RMM: 7 -0.316879793572E+03 -0.55115E-05 -0.25140E-05 2579 0.151E-02 7830 T= 6394. E= 0.67574543E+03 F= 0.63938920E+03 E0= 0.66821439E+03 EK= 0.52067E+02 SP= -.16E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316059395703E+03 0.82039E+00 -0.21911E-01 9000 0.236E+01 0.188E-01 RMM: 2 -0.316083755326E+03 -0.24360E-01 -0.20735E-01 5654 0.931E-01 0.852E-01 RMM: 3 -0.316077409510E+03 0.63458E-02 -0.14604E-02 5805 0.238E-01 0.204E-01 RMM: 4 -0.316077018210E+03 0.39130E-03 -0.89353E-04 5123 0.605E-02 0.102E-01 RMM: 5 -0.316076973669E+03 0.44540E-04 -0.10400E-04 3858 0.263E-02 0.839E-02 RMM: 6 -0.316076960161E+03 0.13508E-04 -0.31167E-05 2785 0.166E-02 7831 T= 6307. E= 0.67575049E+03 F= 0.64019203E+03 E0= 0.66901274E+03 EK= 0.51360E+02 SP= -.16E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315436866580E+03 0.64011E+00 -0.22589E-01 8912 0.234E+01 0.324E-01 RMM: 2 -0.315481112082E+03 -0.44246E-01 -0.22679E-01 5118 0.102E+00 0.183E+00 RMM: 3 -0.315455622395E+03 0.25490E-01 -0.21763E-02 5450 0.322E-01 0.282E-01 RMM: 4 -0.315455035812E+03 0.58658E-03 -0.22221E-03 5302 0.899E-02 0.111E-01 RMM: 5 -0.315454993733E+03 0.42079E-04 -0.23538E-04 4579 0.318E-02 0.105E-01 RMM: 6 -0.315454939540E+03 0.54193E-04 -0.38479E-05 2955 0.186E-02 0.628E-02 RMM: 7 -0.315454965163E+03 -0.25623E-04 -0.41949E-05 3083 0.186E-02 0.876E-02 RMM: 8 -0.315454942046E+03 0.23117E-04 -0.88610E-05 3840 0.216E-02 0.553E-02 RMM: 9 -0.315454925760E+03 0.16285E-04 -0.20619E-05 2580 0.131E-02 7832 T= 6243. E= 0.67575495E+03 F= 0.64081406E+03 E0= 0.66963724E+03 EK= 0.50839E+02 SP= -.16E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315057599164E+03 0.39734E+00 -0.19675E-01 9000 0.233E+01 0.343E-01 RMM: 2 -0.315098014840E+03 -0.40416E-01 -0.18909E-01 5085 0.933E-01 0.186E+00 RMM: 3 -0.315072936857E+03 0.25078E-01 -0.19536E-02 5435 0.313E-01 0.337E-01 RMM: 4 -0.315072161822E+03 0.77503E-03 -0.23065E-03 5085 0.100E-01 0.149E-01 RMM: 5 -0.315072179249E+03 -0.17427E-04 -0.32510E-04 3902 0.425E-02 0.161E-01 RMM: 6 -0.315072001749E+03 0.17750E-03 -0.99173E-05 3708 0.273E-02 0.470E-02 RMM: 7 -0.315072020719E+03 -0.18970E-04 -0.41359E-05 3064 0.182E-02 7833 T= 6209. E= 0.67575736E+03 F= 0.64119697E+03 E0= 0.67002787E+03 EK= 0.50564E+02 SP= -.16E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314948695141E+03 0.12331E+00 -0.17350E-01 8936 0.233E+01 0.235E-01 RMM: 2 -0.314976026965E+03 -0.27332E-01 -0.17036E-01 5382 0.854E-01 0.131E+00 RMM: 3 -0.314962710895E+03 0.13316E-01 -0.13773E-02 5564 0.245E-01 0.224E-01 RMM: 4 -0.314962301280E+03 0.40961E-03 -0.11988E-03 4920 0.696E-02 0.929E-02 RMM: 5 -0.314962269412E+03 0.31868E-04 -0.14091E-04 4340 0.263E-02 0.900E-02 RMM: 6 -0.314962230249E+03 0.39163E-04 -0.28362E-05 2642 0.161E-02 0.572E-02 RMM: 7 -0.314962257011E+03 -0.26763E-04 -0.54443E-05 3295 0.200E-02 0.915E-02 RMM: 8 -0.314962211990E+03 0.45021E-04 -0.61535E-05 3419 0.207E-02 0.421E-02 RMM: 9 -0.314962205169E+03 0.68210E-05 -0.17422E-05 2529 0.118E-02 7834 T= 6210. E= 0.67575740E+03 F= 0.64130678E+03 E0= 0.67014791E+03 EK= 0.50570E+02 SP= -.16E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315119159052E+03 -0.15695E+00 -0.16716E-01 8808 0.234E+01 0.217E-01 RMM: 2 -0.315142510542E+03 -0.23351E-01 -0.17599E-01 5126 0.895E-01 0.104E+00 RMM: 3 -0.315134000154E+03 0.85104E-02 -0.15952E-02 5928 0.242E-01 0.200E-01 RMM: 4 -0.315133594387E+03 0.40577E-03 -0.10283E-03 4801 0.714E-02 0.139E-01 RMM: 5 -0.315133476007E+03 0.11838E-03 -0.16066E-04 3877 0.322E-02 0.780E-02 RMM: 6 -0.315133438974E+03 0.37033E-04 -0.34647E-05 2945 0.177E-02 0.452E-02 RMM: 7 -0.315133439672E+03 -0.69797E-06 -0.22802E-05 2558 0.144E-02 7835 T= 6246. E= 0.67575665E+03 F= 0.64113555E+03 E0= 0.66998727E+03 EK= 0.50867E+02 SP= -.16E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315561944711E+03 -0.42851E+00 -0.15636E-01 8864 0.235E+01 0.180E-01 RMM: 2 -0.315581096326E+03 -0.19152E-01 -0.15886E-01 5264 0.846E-01 0.822E-01 RMM: 3 -0.315575443484E+03 0.56528E-02 -0.14120E-02 5913 0.228E-01 0.183E-01 RMM: 4 -0.315575083816E+03 0.35967E-03 -0.80482E-04 4990 0.589E-02 0.949E-02 RMM: 5 -0.315575026637E+03 0.57178E-04 -0.90291E-05 3789 0.230E-02 0.795E-02 RMM: 6 -0.315575014468E+03 0.12169E-04 -0.21344E-05 2555 0.139E-02 7836 T= 6317. E= 0.67575469E+03 F= 0.64069397E+03 E0= 0.66955466E+03 EK= 0.51444E+02 SP= -.16E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316246750265E+03 -0.67172E+00 -0.15740E-01 8792 0.237E+01 0.256E-01 RMM: 2 -0.316275979560E+03 -0.29229E-01 -0.16432E-01 5242 0.846E-01 0.146E+00 RMM: 3 -0.316260149135E+03 0.15830E-01 -0.15619E-02 5450 0.274E-01 0.260E-01 RMM: 4 -0.316259686360E+03 0.46277E-03 -0.15709E-03 5275 0.738E-02 0.109E-01 RMM: 5 -0.316259609534E+03 0.76826E-04 -0.12404E-04 3843 0.288E-02 0.905E-02 RMM: 6 -0.316259582607E+03 0.26926E-04 -0.25058E-05 2574 0.150E-02 0.755E-02 RMM: 7 -0.316259599382E+03 -0.16774E-04 -0.43254E-05 3070 0.188E-02 7837 T= 6419. E= 0.67575048E+03 F= 0.64000939E+03 E0= 0.66887669E+03 EK= 0.52271E+02 SP= -.17E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317125197095E+03 -0.86561E+00 -0.16454E-01 8744 0.239E+01 0.352E-01 RMM: 2 -0.317163435709E+03 -0.38239E-01 -0.18259E-01 4960 0.959E-01 0.184E+00 RMM: 3 -0.317139886238E+03 0.23549E-01 -0.21582E-02 5487 0.327E-01 0.331E-01 RMM: 4 -0.317139074722E+03 0.81152E-03 -0.22839E-03 5120 0.977E-02 0.144E-01 RMM: 5 -0.317139047691E+03 0.27031E-04 -0.31372E-04 3906 0.419E-02 0.140E-01 RMM: 6 -0.317138920974E+03 0.12672E-03 -0.89289E-05 3642 0.267E-02 0.487E-02 RMM: 7 -0.317138923007E+03 -0.20336E-05 -0.21827E-05 2571 0.138E-02 7838 T= 6545. E= 0.67574503E+03 F= 0.63913007E+03 E0= 0.66800077E+03 EK= 0.53296E+02 SP= -.17E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318124541252E+03 -0.98562E+00 -0.17381E-01 8920 0.242E+01 0.218E-01 RMM: 2 -0.318149299607E+03 -0.24758E-01 -0.17834E-01 5114 0.902E-01 0.110E+00 RMM: 3 -0.318139520091E+03 0.97795E-02 -0.16298E-02 5580 0.267E-01 0.213E-01 RMM: 4 -0.318139169484E+03 0.35061E-03 -0.12908E-03 5239 0.703E-02 0.111E-01 RMM: 5 -0.318139086628E+03 0.82856E-04 -0.13686E-04 3911 0.302E-02 0.853E-02 RMM: 6 -0.318139056193E+03 0.30435E-04 -0.28984E-05 2590 0.159E-02 0.647E-02 RMM: 7 -0.318139056593E+03 -0.39988E-06 -0.28005E-05 2640 0.153E-02 7839 T= 6685. E= 0.67573782E+03 F= 0.63812993E+03 E0= 0.66700065E+03 EK= 0.54442E+02 SP= -.17E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319142399798E+03 -0.10033E+01 -0.18137E-01 9000 0.245E+01 0.170E-01 RMM: 2 -0.319162345959E+03 -0.19946E-01 -0.17786E-01 5086 0.907E-01 0.714E-01 RMM: 3 -0.319157595779E+03 0.47502E-02 -0.15527E-02 6115 0.237E-01 0.143E-01 RMM: 4 -0.319157267896E+03 0.32788E-03 -0.73627E-04 4874 0.606E-02 0.120E-01 RMM: 5 -0.319157184440E+03 0.83457E-04 -0.10691E-04 3728 0.300E-02 0.709E-02 RMM: 6 -0.319157164847E+03 0.19592E-04 -0.27285E-05 2570 0.154E-02 7840 T= 6828. E= 0.67572904E+03 F= 0.63711182E+03 E0= 0.66598011E+03 EK= 0.55601E+02 SP= -.17E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320055307925E+03 -0.89812E+00 -0.19552E-01 8936 0.248E+01 0.207E-01 RMM: 2 -0.320080481450E+03 -0.25174E-01 -0.19308E-01 5057 0.953E-01 0.104E+00 RMM: 3 -0.320071867763E+03 0.86137E-02 -0.17392E-02 5837 0.261E-01 0.206E-01 RMM: 4 -0.320071408324E+03 0.45944E-03 -0.10343E-03 4883 0.703E-02 0.122E-01 RMM: 5 -0.320071322778E+03 0.85546E-04 -0.14524E-04 3900 0.322E-02 0.811E-02 RMM: 6 -0.320071296530E+03 0.26247E-04 -0.29206E-05 2580 0.156E-02 0.668E-02 RMM: 7 -0.320071290690E+03 0.58403E-05 -0.33596E-05 2699 0.175E-02 7841 T= 6956. E= 0.67571955E+03 F= 0.63619770E+03 E0= 0.66506211E+03 EK= 0.56644E+02 SP= -.17E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320741904985E+03 -0.67061E+00 -0.20199E-01 8904 0.251E+01 0.231E-01 RMM: 2 -0.320768128329E+03 -0.26223E-01 -0.19124E-01 5044 0.956E-01 0.114E+00 RMM: 3 -0.320758161064E+03 0.99673E-02 -0.17398E-02 5777 0.267E-01 0.211E-01 RMM: 4 -0.320757765705E+03 0.39536E-03 -0.12457E-03 4857 0.791E-02 0.140E-01 RMM: 5 -0.320757686763E+03 0.78942E-04 -0.19592E-04 3890 0.352E-02 0.107E-01 RMM: 6 -0.320757618299E+03 0.68464E-04 -0.50203E-05 3180 0.210E-02 0.424E-02 RMM: 7 -0.320757623267E+03 -0.49678E-05 -0.21949E-05 2553 0.143E-02 7842 T= 7054. E= 0.67571164E+03 F= 0.63551137E+03 E0= 0.66437186E+03 EK= 0.57444E+02 SP= -.17E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321093824700E+03 -0.33621E+00 -0.21701E-01 8880 0.253E+01 0.206E-01 RMM: 2 -0.321121308453E+03 -0.27484E-01 -0.22968E-01 4990 0.106E+00 0.959E-01 RMM: 3 -0.321113898267E+03 0.74102E-02 -0.21996E-02 6096 0.277E-01 0.169E-01 RMM: 4 -0.321113416506E+03 0.48176E-03 -0.10422E-03 4899 0.743E-02 0.150E-01 RMM: 5 -0.321113269310E+03 0.14720E-03 -0.17517E-04 3927 0.358E-02 0.751E-02 RMM: 6 -0.321113244822E+03 0.24488E-04 -0.37270E-05 2873 0.175E-02 0.569E-02 RMM: 7 -0.321113239023E+03 0.57990E-05 -0.29212E-05 2579 0.164E-02 7843 T= 7109. E= 0.67570656E+03 F= 0.63515575E+03 E0= 0.66401219E+03 EK= 0.57895E+02 SP= -.17E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321056987606E+03 0.56257E-01 -0.22161E-01 8984 0.254E+01 0.183E-01 RMM: 2 -0.321082634534E+03 -0.25647E-01 -0.22569E-01 5031 0.104E+00 0.811E-01 RMM: 3 -0.321076781980E+03 0.58526E-02 -0.21033E-02 6144 0.268E-01 0.170E-01 RMM: 4 -0.321076270433E+03 0.51155E-03 -0.91203E-04 4944 0.689E-02 0.112E-01 RMM: 5 -0.321076191774E+03 0.78659E-04 -0.12579E-04 3911 0.305E-02 0.734E-02 RMM: 6 -0.321076172015E+03 0.19759E-04 -0.30199E-05 2646 0.162E-02 7844 T= 7114. E= 0.67570588E+03 F= 0.63519282E+03 E0= 0.66404578E+03 EK= 0.57933E+02 SP= -.17E+02 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320625935316E+03 0.45026E+00 -0.21713E-01 8872 0.254E+01 0.218E-01 RMM: 2 -0.320654177992E+03 -0.28243E-01 -0.21713E-01 5041 0.102E+00 0.110E+00 RMM: 3 -0.320644684116E+03 0.94939E-02 -0.20875E-02 5854 0.280E-01 0.207E-01 RMM: 4 -0.320644147883E+03 0.53623E-03 -0.11732E-03 5103 0.727E-02 0.111E-01 RMM: 5 -0.320644072587E+03 0.75296E-04 -0.14653E-04 4458 0.289E-02 0.834E-02 RMM: 6 -0.320644050153E+03 0.22434E-04 -0.27369E-05 2596 0.155E-02 0.748E-02 RMM: 7 -0.320644058092E+03 -0.79389E-05 -0.57990E-05 3369 0.214E-02 7845 T= 7068. E= 0.67570995E+03 F= 0.63562493E+03 E0= 0.66447472E+03 EK= 0.57554E+02 SP= -.17E+02 SK= 0.24E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319868441975E+03 0.77561E+00 -0.19437E-01 8952 0.252E+01 0.299E-01 RMM: 2 -0.319898253005E+03 -0.29811E-01 -0.18642E-01 5115 0.955E-01 0.141E+00 RMM: 3 -0.319883693445E+03 0.14560E-01 -0.18830E-02 5625 0.289E-01 0.296E-01 RMM: 4 -0.319883012973E+03 0.68047E-03 -0.17624E-03 4951 0.909E-02 0.132E-01 RMM: 5 -0.319882982664E+03 0.30309E-04 -0.25145E-04 4039 0.355E-02 0.126E-01 RMM: 6 -0.319882885102E+03 0.97562E-04 -0.55665E-05 3284 0.217E-02 0.452E-02 RMM: 7 -0.319882893723E+03 -0.86215E-05 -0.25653E-05 2615 0.152E-02 7846 T= 6978. E= 0.67571876E+03 F= 0.63638610E+03 E0= 0.66523363E+03 EK= 0.56828E+02 SP= -.17E+02 SK= 0.42E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.318902424112E+03 0.98046E+00 -0.18600E-01 8888 0.249E+01 0.280E-01 RMM: 2 -0.318934511617E+03 -0.32088E-01 -0.20168E-01 5170 0.994E-01 0.145E+00 RMM: 3 -0.318919251688E+03 0.15260E-01 -0.20528E-02 5732 0.288E-01 0.239E-01 RMM: 4 -0.318918686597E+03 0.56509E-03 -0.14902E-03 5029 0.786E-02 0.128E-01 RMM: 5 -0.318918599580E+03 0.87017E-04 -0.18401E-04 3983 0.329E-02 0.948E-02 RMM: 6 -0.318918555365E+03 0.44216E-04 -0.42381E-05 3037 0.190E-02 0.669E-02 RMM: 7 -0.318918560730E+03 -0.53655E-05 -0.29335E-05 2624 0.164E-02 7847 T= 6862. E= 0.67573084E+03 F= 0.63735043E+03 E0= 0.66619633E+03 EK= 0.55881E+02 SP= -.18E+02 SK= 0.53E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.317898325917E+03 0.10202E+01 -0.16493E-01 8592 0.245E+01 0.220E-01 RMM: 2 -0.317921266685E+03 -0.22941E-01 -0.18257E-01 5069 0.952E-01 0.960E-01 RMM: 3 -0.317913983029E+03 0.72837E-02 -0.18430E-02 5748 0.269E-01 0.193E-01 RMM: 4 -0.317913592318E+03 0.39071E-03 -0.11069E-03 5097 0.689E-02 0.117E-01 RMM: 5 -0.317913511138E+03 0.81181E-04 -0.13649E-04 3926 0.304E-02 0.845E-02 RMM: 6 -0.317913476822E+03 0.34316E-04 -0.30174E-05 2706 0.165E-02 0.548E-02 RMM: 7 -0.317913481227E+03 -0.44049E-05 -0.24208E-05 2580 0.150E-02 7848 T= 6739. E= 0.67574291E+03 F= 0.63835551E+03 E0= 0.66720133E+03 EK= 0.54879E+02 SP= -.17E+02 SK= 0.35E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.317016353921E+03 0.89712E+00 -0.14896E-01 8264 0.242E+01 0.222E-01 RMM: 2 -0.317037218156E+03 -0.20864E-01 -0.15774E-01 5123 0.890E-01 0.102E+00 RMM: 3 -0.317029390882E+03 0.78273E-02 -0.15571E-02 5907 0.246E-01 0.197E-01 RMM: 4 -0.317028989344E+03 0.40154E-03 -0.97353E-04 4845 0.677E-02 0.121E-01 RMM: 5 -0.317028920784E+03 0.68560E-04 -0.14040E-04 3857 0.304E-02 0.922E-02 RMM: 6 -0.317028874724E+03 0.46059E-04 -0.37877E-05 2993 0.185E-02 0.537E-02 RMM: 7 -0.317028877560E+03 -0.28356E-05 -0.22453E-05 2555 0.146E-02 7849 T= 6629. E= 0.67575216E+03 F= 0.63924011E+03 E0= 0.66808714E+03 EK= 0.53986E+02 SP= -.17E+02 SK= 0.82E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.316371661188E+03 0.65721E+00 -0.14556E-01 7824 0.239E+01 0.189E-01 RMM: 2 -0.316389174752E+03 -0.17514E-01 -0.14790E-01 4938 0.875E-01 0.788E-01 RMM: 3 -0.316384314671E+03 0.48601E-02 -0.15633E-02 5925 0.241E-01 0.144E-01 RMM: 4 -0.316384028765E+03 0.28591E-03 -0.77559E-04 4959 0.605E-02 0.115E-01 RMM: 5 -0.316383955381E+03 0.73384E-04 -0.10885E-04 3740 0.287E-02 0.725E-02 RMM: 6 -0.316383930955E+03 0.24426E-04 -0.27305E-05 2589 0.158E-02 0.460E-02 RMM: 7 -0.316383936105E+03 -0.51494E-05 -0.20851E-05 2524 0.141E-02 7850 T= 6548. E= 0.67575690E+03 F= 0.63988505E+03 E0= 0.66873614E+03 EK= 0.53322E+02 SP= -.17E+02 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316024746628E+03 0.35918E+00 -0.13644E-01 7976 0.238E+01 0.183E-01 RMM: 2 -0.316040088457E+03 -0.15342E-01 -0.12148E-01 5153 0.778E-01 0.836E-01 RMM: 3 -0.316034617655E+03 0.54708E-02 -0.10962E-02 5959 0.208E-01 0.164E-01 RMM: 4 -0.316034365952E+03 0.25170E-03 -0.64996E-04 4719 0.569E-02 0.107E-01 RMM: 5 -0.316034311728E+03 0.54224E-04 -0.10074E-04 3653 0.270E-02 0.798E-02 RMM: 6 -0.316034276111E+03 0.35618E-04 -0.30951E-05 2833 0.173E-02 0.421E-02 RMM: 7 -0.316034280865E+03 -0.47546E-05 -0.23050E-05 2529 0.146E-02 7851 T= 6502. E= 0.67575738E+03 F= 0.64023471E+03 E0= 0.66909090E+03 EK= 0.52949E+02 SP= -.17E+02 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315968216845E+03 0.66059E-01 -0.14164E-01 8560 0.238E+01 0.195E-01 RMM: 2 -0.315984485412E+03 -0.16269E-01 -0.12543E-01 5124 0.798E-01 0.871E-01 RMM: 3 -0.315978599123E+03 0.58863E-02 -0.11777E-02 5812 0.221E-01 0.189E-01 RMM: 4 -0.315978280324E+03 0.31880E-03 -0.74971E-04 4758 0.610E-02 0.983E-02 RMM: 5 -0.315978230085E+03 0.50239E-04 -0.11054E-04 3749 0.279E-02 0.735E-02 RMM: 6 -0.315978203313E+03 0.26772E-04 -0.26156E-05 2624 0.156E-02 0.463E-02 RMM: 7 -0.315978205533E+03 -0.22196E-05 -0.17914E-05 2511 0.132E-02 7852 T= 6492. E= 0.67575558E+03 F= 0.64029078E+03 E0= 0.66915394E+03 EK= 0.52866E+02 SP= -.17E+02 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316170985478E+03 -0.19278E+00 -0.14522E-01 8536 0.238E+01 0.188E-01 RMM: 2 -0.316187256733E+03 -0.16271E-01 -0.12782E-01 5340 0.784E-01 0.859E-01 RMM: 3 -0.316181382494E+03 0.58742E-02 -0.10163E-02 5690 0.212E-01 0.182E-01 RMM: 4 -0.316181138445E+03 0.24405E-03 -0.71082E-04 4833 0.570E-02 0.103E-01 RMM: 5 -0.316181079506E+03 0.58939E-04 -0.97283E-05 3703 0.271E-02 0.772E-02 RMM: 6 -0.316181052563E+03 0.26943E-04 -0.26988E-05 2621 0.158E-02 0.549E-02 RMM: 7 -0.316181052421E+03 0.14177E-06 -0.35274E-05 2687 0.173E-02 7853 T= 6513. E= 0.67575260E+03 F= 0.64008794E+03 E0= 0.66895878E+03 EK= 0.53042E+02 SP= -.17E+02 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316585993684E+03 -0.40494E+00 -0.15534E-01 8536 0.239E+01 0.208E-01 RMM: 2 -0.316605492291E+03 -0.19499E-01 -0.14566E-01 5178 0.848E-01 0.984E-01 RMM: 3 -0.316598235147E+03 0.72571E-02 -0.12903E-02 5792 0.233E-01 0.200E-01 RMM: 4 -0.316597876109E+03 0.35904E-03 -0.87719E-04 4734 0.660E-02 0.109E-01 RMM: 5 -0.316597816617E+03 0.59493E-04 -0.12831E-04 3846 0.304E-02 0.830E-02 RMM: 6 -0.316597783702E+03 0.32915E-04 -0.29619E-05 2677 0.164E-02 0.560E-02 RMM: 7 -0.316597787190E+03 -0.34881E-05 -0.24149E-05 2570 0.151E-02 7854 T= 6561. E= 0.67574989E+03 F= 0.63967120E+03 E0= 0.66854985E+03 EK= 0.53431E+02 SP= -.17E+02 SK= 0.14E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317176249111E+03 -0.57847E+00 -0.16446E-01 8640 0.240E+01 0.183E-01 RMM: 2 -0.317194416729E+03 -0.18168E-01 -0.15328E-01 5376 0.839E-01 0.788E-01 RMM: 3 -0.317188942365E+03 0.54744E-02 -0.11671E-02 5702 0.226E-01 0.180E-01 RMM: 4 -0.317188706077E+03 0.23629E-03 -0.77459E-04 4966 0.582E-02 0.108E-01 RMM: 5 -0.317188631949E+03 0.74128E-04 -0.98917E-05 3732 0.280E-02 0.772E-02 RMM: 6 -0.317188607448E+03 0.24502E-04 -0.27903E-05 2607 0.158E-02 0.591E-02 RMM: 7 -0.317188602734E+03 0.47132E-05 -0.48121E-05 3053 0.195E-02 7855 T= 6630. E= 0.67574771E+03 F= 0.63908039E+03 E0= 0.66796599E+03 EK= 0.53992E+02 SP= -.17E+02 SK= 0.18E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.317910023639E+03 -0.72142E+00 -0.17790E-01 8600 0.242E+01 0.194E-01 RMM: 2 -0.317930610252E+03 -0.20587E-01 -0.16946E-01 5290 0.882E-01 0.863E-01 RMM: 3 -0.317924157434E+03 0.64528E-02 -0.13647E-02 5809 0.237E-01 0.184E-01 RMM: 4 -0.317923859089E+03 0.29835E-03 -0.88150E-04 4804 0.652E-02 0.125E-01 RMM: 5 -0.317923768038E+03 0.91052E-04 -0.13470E-04 3861 0.313E-02 0.823E-02 RMM: 6 -0.317923732066E+03 0.35972E-04 -0.35333E-05 2880 0.179E-02 0.543E-02 RMM: 7 -0.317923735862E+03 -0.37956E-05 -0.27981E-05 2599 0.159E-02 7856 T= 6716. E= 0.67574548E+03 F= 0.63834525E+03 E0= 0.66723606E+03 EK= 0.54692E+02 SP= -.17E+02 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318763347286E+03 -0.83962E+00 -0.19329E-01 8568 0.243E+01 0.197E-01 RMM: 2 -0.318784751554E+03 -0.21404E-01 -0.18203E-01 5422 0.907E-01 0.831E-01 RMM: 3 -0.318778486801E+03 0.62648E-02 -0.13769E-02 5886 0.236E-01 0.176E-01 RMM: 4 -0.318778181255E+03 0.30555E-03 -0.83623E-04 4920 0.625E-02 0.115E-01 RMM: 5 -0.318778094716E+03 0.86539E-04 -0.11902E-04 3826 0.296E-02 0.741E-02 RMM: 6 -0.318778072051E+03 0.22664E-04 -0.28973E-05 2618 0.161E-02 0.548E-02 RMM: 7 -0.318778077532E+03 -0.54807E-05 -0.34025E-05 2705 0.166E-02 7857 T= 6816. E= 0.67574323E+03 F= 0.63749091E+03 E0= 0.66638474E+03 EK= 0.55502E+02 SP= -.17E+02 SK= 0.43E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319711362560E+03 -0.93329E+00 -0.20657E-01 8696 0.245E+01 0.210E-01 RMM: 2 -0.319735516359E+03 -0.24154E-01 -0.19571E-01 5320 0.946E-01 0.965E-01 RMM: 3 -0.319727871546E+03 0.76448E-02 -0.15545E-02 5987 0.244E-01 0.174E-01 RMM: 4 -0.319727536600E+03 0.33495E-03 -0.92234E-04 4782 0.681E-02 0.137E-01 RMM: 5 -0.319727425438E+03 0.11116E-03 -0.15480E-04 3916 0.335E-02 0.829E-02 RMM: 6 -0.319727386684E+03 0.38753E-04 -0.42039E-05 3038 0.193E-02 0.487E-02 RMM: 7 -0.319727394083E+03 -0.73991E-05 -0.27091E-05 2600 0.154E-02 7858 T= 6925. E= 0.67574068E+03 F= 0.63654160E+03 E0= 0.66543624E+03 EK= 0.56393E+02 SP= -.17E+02 SK= 0.74E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320731726381E+03 -0.10043E+01 -0.21337E-01 8848 0.246E+01 0.205E-01 RMM: 2 -0.320752415568E+03 -0.20689E-01 -0.17834E-01 5494 0.883E-01 0.806E-01 RMM: 3 -0.320746477195E+03 0.59384E-02 -0.12153E-02 5893 0.228E-01 0.168E-01 RMM: 4 -0.320746280057E+03 0.19714E-03 -0.81526E-04 4909 0.606E-02 0.134E-01 RMM: 5 -0.320746158679E+03 0.12138E-03 -0.12804E-04 3827 0.300E-02 0.800E-02 RMM: 6 -0.320746125448E+03 0.33231E-04 -0.38212E-05 2976 0.184E-02 0.494E-02 RMM: 7 -0.320746128847E+03 -0.33985E-05 -0.37301E-05 2710 0.174E-02 7859 T= 7041. E= 0.67573777E+03 F= 0.63552286E+03 E0= 0.66441584E+03 EK= 0.57335E+02 SP= -.17E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321790433361E+03 -0.10443E+01 -0.22486E-01 8776 0.248E+01 0.208E-01 RMM: 2 -0.321814396110E+03 -0.23963E-01 -0.19747E-01 5326 0.950E-01 0.934E-01 RMM: 3 -0.321807265879E+03 0.71302E-02 -0.15197E-02 6155 0.238E-01 0.167E-01 RMM: 4 -0.321806941623E+03 0.32426E-03 -0.86376E-04 4769 0.684E-02 0.143E-01 RMM: 5 -0.321806814604E+03 0.12702E-03 -0.15289E-04 3890 0.329E-02 0.811E-02 RMM: 6 -0.321806779515E+03 0.35089E-04 -0.40556E-05 3024 0.191E-02 0.470E-02 RMM: 7 -0.321806787191E+03 -0.76758E-05 -0.28229E-05 2607 0.157E-02 7860 T= 7159. E= 0.67573470E+03 F= 0.63446220E+03 E0= 0.66335085E+03 EK= 0.58295E+02 SP= -.17E+02 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322864019185E+03 -0.10572E+01 -0.23010E-01 8920 0.250E+01 0.203E-01 RMM: 2 -0.322885241861E+03 -0.21223E-01 -0.18596E-01 5490 0.902E-01 0.782E-01 RMM: 3 -0.322879552084E+03 0.56898E-02 -0.12885E-02 6078 0.224E-01 0.167E-01 RMM: 4 -0.322879303710E+03 0.24837E-03 -0.77746E-04 4811 0.615E-02 0.138E-01 RMM: 5 -0.322879177665E+03 0.12605E-03 -0.13382E-04 3830 0.301E-02 0.800E-02 RMM: 6 -0.322879144974E+03 0.32690E-04 -0.39171E-05 3024 0.187E-02 0.475E-02 RMM: 7 -0.322879151502E+03 -0.65278E-05 -0.31670E-05 2654 0.161E-02 7861 T= 7274. E= 0.67573145E+03 F= 0.63338984E+03 E0= 0.66227119E+03 EK= 0.59237E+02 SP= -.17E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323916281045E+03 -0.10371E+01 -0.23109E-01 8896 0.252E+01 0.202E-01 RMM: 2 -0.323938301398E+03 -0.22020E-01 -0.18305E-01 5501 0.888E-01 0.877E-01 RMM: 3 -0.323931630796E+03 0.66706E-02 -0.12693E-02 6150 0.217E-01 0.168E-01 RMM: 4 -0.323931348421E+03 0.28237E-03 -0.78445E-04 4732 0.640E-02 0.138E-01 RMM: 5 -0.323931232470E+03 0.11595E-03 -0.13899E-04 3847 0.309E-02 0.805E-02 RMM: 6 -0.323931199269E+03 0.33201E-04 -0.35394E-05 2946 0.180E-02 0.479E-02 RMM: 7 -0.323931207545E+03 -0.82765E-05 -0.29601E-05 2623 0.161E-02 7862 T= 7383. E= 0.67572823E+03 F= 0.63233778E+03 E0= 0.66120843E+03 EK= 0.60123E+02 SP= -.17E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324913189781E+03 -0.98199E+00 -0.23273E-01 8832 0.253E+01 0.206E-01 RMM: 2 -0.324935458233E+03 -0.22268E-01 -0.19262E-01 5356 0.929E-01 0.817E-01 RMM: 3 -0.324929621373E+03 0.58369E-02 -0.14805E-02 6123 0.231E-01 0.179E-01 RMM: 4 -0.324929258918E+03 0.36245E-03 -0.81845E-04 4763 0.652E-02 0.132E-01 RMM: 5 -0.324929156523E+03 0.10240E-03 -0.14399E-04 3851 0.314E-02 0.839E-02 RMM: 6 -0.324929119305E+03 0.37218E-04 -0.42491E-05 3079 0.194E-02 0.461E-02 RMM: 7 -0.324929128699E+03 -0.93940E-05 -0.31555E-05 2671 0.165E-02 7863 T= 7480. E= 0.67572513E+03 F= 0.63133986E+03 E0= 0.66019587E+03 EK= 0.60914E+02 SP= -.17E+02 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325823025132E+03 -0.89391E+00 -0.22455E-01 8856 0.254E+01 0.210E-01 RMM: 2 -0.325845286292E+03 -0.22261E-01 -0.18056E-01 5462 0.889E-01 0.913E-01 RMM: 3 -0.325838090653E+03 0.71956E-02 -0.12755E-02 6112 0.220E-01 0.190E-01 RMM: 4 -0.325837753470E+03 0.33718E-03 -0.81585E-04 4746 0.651E-02 0.125E-01 RMM: 5 -0.325837668754E+03 0.84716E-04 -0.13882E-04 3830 0.308E-02 0.851E-02 RMM: 6 -0.325837630120E+03 0.38634E-04 -0.38277E-05 3010 0.187E-02 0.463E-02 RMM: 7 -0.325837641838E+03 -0.11718E-04 -0.28678E-05 2616 0.158E-02 7864 T= 7561. E= 0.67572205E+03 F= 0.63043135E+03 E0= 0.65926846E+03 EK= 0.61570E+02 SP= -.16E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326604762041E+03 -0.76713E+00 -0.21965E-01 8808 0.255E+01 0.212E-01 RMM: 2 -0.326626840411E+03 -0.22078E-01 -0.18155E-01 5414 0.897E-01 0.893E-01 RMM: 3 -0.326620007222E+03 0.68332E-02 -0.12933E-02 6004 0.228E-01 0.200E-01 RMM: 4 -0.326619656837E+03 0.35038E-03 -0.85815E-04 4778 0.654E-02 0.114E-01 RMM: 5 -0.326619595665E+03 0.61172E-04 -0.14397E-04 3839 0.306E-02 0.925E-02 RMM: 6 -0.326619548008E+03 0.47657E-04 -0.44562E-05 3112 0.200E-02 0.442E-02 RMM: 7 -0.326619561591E+03 -0.13583E-04 -0.29016E-05 2638 0.159E-02 7865 T= 7620. E= 0.67571880E+03 F= 0.62964943E+03 E0= 0.65846288E+03 EK= 0.62050E+02 SP= -.16E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327220709485E+03 -0.60116E+00 -0.20516E-01 8648 0.255E+01 0.214E-01 RMM: 2 -0.327241676857E+03 -0.20967E-01 -0.16575E-01 5605 0.834E-01 0.923E-01 RMM: 3 -0.327234272006E+03 0.74049E-02 -0.10243E-02 5955 0.207E-01 0.195E-01 RMM: 4 -0.327233995356E+03 0.27665E-03 -0.78771E-04 4719 0.617E-02 0.120E-01 RMM: 5 -0.327233927346E+03 0.68010E-04 -0.13501E-04 3825 0.301E-02 0.900E-02 RMM: 6 -0.327233880841E+03 0.46505E-04 -0.40142E-05 3052 0.192E-02 0.443E-02 RMM: 7 -0.327233894365E+03 -0.13524E-04 -0.29369E-05 2640 0.157E-02 7866 T= 7651. E= 0.67571526E+03 F= 0.62903509E+03 E0= 0.65782140E+03 EK= 0.62309E+02 SP= -.16E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327622811101E+03 -0.38893E+00 -0.20512E-01 8648 0.255E+01 0.211E-01 RMM: 2 -0.327643311355E+03 -0.20500E-01 -0.16825E-01 5579 0.841E-01 0.872E-01 RMM: 3 -0.327636530095E+03 0.67813E-02 -0.10741E-02 5913 0.213E-01 0.190E-01 RMM: 4 -0.327636269881E+03 0.26021E-03 -0.78590E-04 4816 0.605E-02 0.112E-01 RMM: 5 -0.327636219140E+03 0.50741E-04 -0.12884E-04 3790 0.293E-02 0.977E-02 RMM: 6 -0.327636162989E+03 0.56151E-04 -0.45436E-05 3130 0.202E-02 0.421E-02 RMM: 7 -0.327636177155E+03 -0.14166E-04 -0.30161E-05 2679 0.160E-02 7867 T= 7651. E= 0.67571172E+03 F= 0.62863281E+03 E0= 0.65738792E+03 EK= 0.62304E+02 SP= -.15E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327768920826E+03 -0.13276E+00 -0.20172E-01 8608 0.255E+01 0.206E-01 RMM: 2 -0.327788967623E+03 -0.20047E-01 -0.16074E-01 5577 0.817E-01 0.882E-01 RMM: 3 -0.327781975885E+03 0.69917E-02 -0.10137E-02 5806 0.213E-01 0.187E-01 RMM: 4 -0.327781745065E+03 0.23082E-03 -0.77909E-04 4755 0.605E-02 0.118E-01 RMM: 5 -0.327781679142E+03 0.65923E-04 -0.12898E-04 3814 0.302E-02 0.895E-02 RMM: 6 -0.327781631994E+03 0.47148E-04 -0.39222E-05 3038 0.189E-02 0.427E-02 RMM: 7 -0.327781645048E+03 -0.13054E-04 -0.29806E-05 2642 0.160E-02 7868 T= 7612. E= 0.67570839E+03 F= 0.62848734E+03 E0= 0.65720902E+03 EK= 0.61992E+02 SP= -.15E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327617819029E+03 0.16381E+00 -0.19413E-01 8472 0.255E+01 0.195E-01 RMM: 2 -0.327636128157E+03 -0.18309E-01 -0.15482E-01 5761 0.786E-01 0.786E-01 RMM: 3 -0.327630101287E+03 0.60269E-02 -0.86940E-03 5782 0.201E-01 0.171E-01 RMM: 4 -0.327629940099E+03 0.16119E-03 -0.69577E-04 4810 0.559E-02 0.114E-01 RMM: 5 -0.327629876427E+03 0.63673E-04 -0.10436E-04 3686 0.269E-02 0.907E-02 RMM: 6 -0.327629829370E+03 0.47057E-04 -0.38027E-05 3011 0.188E-02 0.426E-02 RMM: 7 -0.327629842109E+03 -0.12739E-04 -0.32871E-05 2713 0.164E-02 7869 T= 7532. E= 0.67570600E+03 F= 0.62863915E+03 E0= 0.65732515E+03 EK= 0.61337E+02 SP= -.15E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327140435333E+03 0.48939E+00 -0.18919E-01 8376 0.254E+01 0.199E-01 RMM: 2 -0.327160218813E+03 -0.19783E-01 -0.15924E-01 5632 0.808E-01 0.876E-01 RMM: 3 -0.327153268522E+03 0.69503E-02 -0.10263E-02 5830 0.213E-01 0.177E-01 RMM: 4 -0.327153048914E+03 0.21961E-03 -0.75777E-04 4769 0.597E-02 0.116E-01 RMM: 5 -0.327152981916E+03 0.66998E-04 -0.11671E-04 3743 0.290E-02 0.849E-02 RMM: 6 -0.327152940043E+03 0.41873E-04 -0.34393E-05 2938 0.180E-02 0.436E-02 RMM: 7 -0.327152952164E+03 -0.12121E-04 -0.28122E-05 2615 0.155E-02 7870 T= 7407. E= 0.67570475E+03 F= 0.62911604E+03 E0= 0.65776613E+03 EK= 0.60320E+02 SP= -.14E+02 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326330730499E+03 0.82221E+00 -0.18378E-01 8416 0.252E+01 0.189E-01 RMM: 2 -0.326349848113E+03 -0.19118E-01 -0.16286E-01 5692 0.832E-01 0.779E-01 RMM: 3 -0.326343948700E+03 0.58994E-02 -0.10638E-02 5813 0.213E-01 0.164E-01 RMM: 4 -0.326343743380E+03 0.20532E-03 -0.72217E-04 4823 0.574E-02 0.114E-01 RMM: 5 -0.326343671626E+03 0.71754E-04 -0.10208E-04 3691 0.272E-02 0.830E-02 RMM: 6 -0.326343635096E+03 0.36530E-04 -0.33487E-05 2900 0.178E-02 0.452E-02 RMM: 7 -0.326343645415E+03 -0.10320E-04 -0.37622E-05 2813 0.174E-02 7871 T= 7238. E= 0.67570552E+03 F= 0.62992534E+03 E0= 0.65854040E+03 EK= 0.58944E+02 SP= -.14E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325216609873E+03 0.11270E+01 -0.17682E-01 8608 0.250E+01 0.205E-01 RMM: 2 -0.325236828613E+03 -0.20219E-01 -0.15276E-01 5607 0.802E-01 0.968E-01 RMM: 3 -0.325228788756E+03 0.80399E-02 -0.98679E-03 5804 0.213E-01 0.197E-01 RMM: 4 -0.325228529012E+03 0.25974E-03 -0.81998E-04 4745 0.623E-02 0.112E-01 RMM: 5 -0.325228461557E+03 0.67455E-04 -0.11842E-04 3748 0.283E-02 0.842E-02 RMM: 6 -0.325228422703E+03 0.38854E-04 -0.32816E-05 2900 0.177E-02 0.474E-02 RMM: 7 -0.325228432846E+03 -0.10143E-04 -0.28771E-05 2604 0.155E-02 7872 T= 7030. E= 0.67570924E+03 F= 0.63104056E+03 E0= 0.65962436E+03 EK= 0.57249E+02 SP= -.13E+02 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323864612491E+03 0.13638E+01 -0.17056E-01 8624 0.247E+01 0.204E-01 RMM: 2 -0.323883644560E+03 -0.19032E-01 -0.14986E-01 5618 0.808E-01 0.895E-01 RMM: 3 -0.323876691368E+03 0.69532E-02 -0.10248E-02 5823 0.213E-01 0.189E-01 RMM: 4 -0.323876441448E+03 0.24992E-03 -0.76421E-04 4770 0.586E-02 0.112E-01 RMM: 5 -0.323876367334E+03 0.74114E-04 -0.10420E-04 3711 0.262E-02 0.836E-02 RMM: 6 -0.323876334135E+03 0.33199E-04 -0.30893E-05 2827 0.172E-02 0.516E-02 RMM: 7 -0.323876340381E+03 -0.62463E-05 -0.36608E-05 2773 0.171E-02 7873 T= 6793. E= 0.67571618E+03 F= 0.63239265E+03 E0= 0.66095022E+03 EK= 0.55317E+02 SP= -.13E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322387477126E+03 0.14889E+01 -0.15629E-01 8616 0.244E+01 0.218E-01 RMM: 2 -0.322407980301E+03 -0.20503E-01 -0.14297E-01 5557 0.810E-01 0.107E+00 RMM: 3 -0.322399146722E+03 0.88336E-02 -0.10597E-02 5840 0.212E-01 0.213E-01 RMM: 4 -0.322398800128E+03 0.34659E-03 -0.87620E-04 4695 0.657E-02 0.116E-01 RMM: 5 -0.322398727264E+03 0.72864E-04 -0.12717E-04 3789 0.285E-02 0.855E-02 RMM: 6 -0.322398692584E+03 0.34680E-04 -0.30189E-05 2802 0.172E-02 0.544E-02 RMM: 7 -0.322398699151E+03 -0.65670E-05 -0.28150E-05 2603 0.154E-02 7874 T= 6541. E= 0.67572545E+03 F= 0.63387029E+03 E0= 0.66240865E+03 EK= 0.53270E+02 SP= -.12E+02 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320925867596E+03 0.14728E+01 -0.14423E-01 8648 0.240E+01 0.217E-01 RMM: 2 -0.320944536517E+03 -0.18669E-01 -0.13520E-01 5572 0.797E-01 0.991E-01 RMM: 3 -0.320936993792E+03 0.75427E-02 -0.10498E-02 5729 0.213E-01 0.210E-01 RMM: 4 -0.320936674118E+03 0.31967E-03 -0.84640E-04 4738 0.618E-02 0.111E-01 RMM: 5 -0.320936607361E+03 0.66757E-04 -0.11840E-04 3806 0.270E-02 0.874E-02 RMM: 6 -0.320936572760E+03 0.34601E-04 -0.28880E-05 2743 0.168E-02 0.544E-02 RMM: 7 -0.320936578407E+03 -0.56468E-05 -0.24123E-05 2577 0.146E-02 7875 T= 6295. E= 0.67573498E+03 F= 0.63533241E+03 E0= 0.66385853E+03 EK= 0.51260E+02 SP= -.11E+02 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319619683698E+03 0.13169E+01 -0.13091E-01 8312 0.236E+01 0.218E-01 RMM: 2 -0.319639032825E+03 -0.19349E-01 -0.13415E-01 5309 0.815E-01 0.105E+00 RMM: 3 -0.319630859336E+03 0.81735E-02 -0.12434E-02 5784 0.225E-01 0.218E-01 RMM: 4 -0.319630445529E+03 0.41381E-03 -0.92181E-04 4771 0.658E-02 0.102E-01 RMM: 5 -0.319630397883E+03 0.47646E-04 -0.13085E-04 3856 0.288E-02 0.860E-02 RMM: 6 -0.319630360651E+03 0.37233E-04 -0.30416E-05 2808 0.170E-02 0.516E-02 RMM: 7 -0.319630364446E+03 -0.37955E-05 -0.21607E-05 2536 0.141E-02 7876 T= 6070. E= 0.67574257E+03 F= 0.63663862E+03 E0= 0.66515999E+03 EK= 0.49431E+02 SP= -.11E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318577983942E+03 0.10524E+01 -0.11291E-01 7920 0.232E+01 0.213E-01 RMM: 2 -0.318594275639E+03 -0.16292E-01 -0.10995E-01 5266 0.734E-01 0.101E+00 RMM: 3 -0.318586739326E+03 0.75363E-02 -0.10398E-02 5808 0.211E-01 0.198E-01 RMM: 4 -0.318586434894E+03 0.30443E-03 -0.80712E-04 4745 0.601E-02 0.103E-01 RMM: 5 -0.318586382682E+03 0.52212E-04 -0.11479E-04 3762 0.271E-02 0.861E-02 RMM: 6 -0.318586341465E+03 0.41217E-04 -0.31172E-05 2875 0.173E-02 0.436E-02 RMM: 7 -0.318586343028E+03 -0.15629E-05 -0.20597E-05 2529 0.137E-02 7877 T= 5881. E= 0.67574675E+03 F= 0.63768265E+03 E0= 0.66620518E+03 EK= 0.47894E+02 SP= -.10E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317852059764E+03 0.73428E+00 -0.10580E-01 7976 0.229E+01 0.207E-01 RMM: 2 -0.317866428605E+03 -0.14369E-01 -0.97352E-02 5133 0.712E-01 0.957E-01 RMM: 3 -0.317859855570E+03 0.65730E-02 -0.10014E-02 5768 0.207E-01 0.199E-01 RMM: 4 -0.317859517465E+03 0.33811E-03 -0.74403E-04 4757 0.585E-02 0.871E-02 RMM: 5 -0.317859486955E+03 0.30510E-04 -0.10554E-04 3718 0.262E-02 0.830E-02 RMM: 6 -0.317859446141E+03 0.40815E-04 -0.28465E-05 2771 0.166E-02 0.404E-02 RMM: 7 -0.317859446819E+03 -0.67866E-06 -0.16702E-05 2499 0.125E-02 7878 T= 5735. E= 0.67574780E+03 F= 0.63840954E+03 E0= 0.66693799E+03 EK= 0.46706E+02 SP= -.99E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317452368971E+03 0.40708E+00 -0.10080E-01 7904 0.227E+01 0.207E-01 RMM: 2 -0.317466777864E+03 -0.14409E-01 -0.95764E-02 5147 0.704E-01 0.971E-01 RMM: 3 -0.317460085221E+03 0.66926E-02 -0.99348E-03 5711 0.205E-01 0.200E-01 RMM: 4 -0.317459777403E+03 0.30782E-03 -0.73536E-04 4750 0.569E-02 0.878E-02 RMM: 5 -0.317459737325E+03 0.40078E-04 -0.97104E-05 3678 0.250E-02 0.794E-02 RMM: 6 -0.317459701910E+03 0.35415E-04 -0.26620E-05 2694 0.160E-02 0.403E-02 RMM: 7 -0.317459702692E+03 -0.78240E-06 -0.22801E-05 2539 0.143E-02 7879 T= 5634. E= 0.67574718E+03 F= 0.63880929E+03 E0= 0.66734659E+03 EK= 0.45878E+02 SP= -.94E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317364682151E+03 0.95020E-01 -0.97263E-02 7952 0.225E+01 0.221E-01 RMM: 2 -0.317379090669E+03 -0.14409E-01 -0.81331E-02 5305 0.654E-01 0.107E+00 RMM: 3 -0.317370930337E+03 0.81603E-02 -0.83397E-03 5683 0.196E-01 0.214E-01 RMM: 4 -0.317370586568E+03 0.34377E-03 -0.79660E-04 4656 0.604E-02 0.862E-02 RMM: 5 -0.317370560754E+03 0.25815E-04 -0.10658E-04 3743 0.251E-02 0.869E-02 RMM: 6 -0.317370516032E+03 0.44722E-04 -0.26208E-05 2709 0.163E-02 0.418E-02 RMM: 7 -0.317370515873E+03 0.15890E-06 -0.14936E-05 2493 0.117E-02 7880 T= 5574. E= 0.67574547E+03 F= 0.63889847E+03 E0= 0.66744649E+03 EK= 0.45395E+02 SP= -.89E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317554092509E+03 -0.18358E+00 -0.10356E-01 7872 0.224E+01 0.210E-01 RMM: 2 -0.317569308095E+03 -0.15216E-01 -0.99658E-02 5006 0.723E-01 0.998E-01 RMM: 3 -0.317562246601E+03 0.70615E-02 -0.11132E-02 5698 0.218E-01 0.199E-01 RMM: 4 -0.317561919548E+03 0.32705E-03 -0.80836E-04 4879 0.580E-02 0.843E-02 RMM: 5 -0.317561876557E+03 0.42991E-04 -0.92015E-05 3692 0.252E-02 0.719E-02 RMM: 6 -0.317561850699E+03 0.25858E-04 -0.22758E-05 2566 0.144E-02 0.470E-02 RMM: 7 -0.317561852789E+03 -0.20899E-05 -0.24911E-05 2609 0.146E-02 7881 T= 5554. E= 0.67574336E+03 F= 0.63870714E+03 E0= 0.66726602E+03 EK= 0.45226E+02 SP= -.85E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317992545834E+03 -0.43070E+00 -0.98618E-02 7992 0.223E+01 0.221E-01 RMM: 2 -0.318007231326E+03 -0.14685E-01 -0.79026E-02 5116 0.646E-01 0.110E+00 RMM: 3 -0.317998704406E+03 0.85269E-02 -0.88314E-03 5555 0.207E-01 0.227E-01 RMM: 4 -0.317998329099E+03 0.37531E-03 -0.84920E-04 4676 0.613E-02 0.835E-02 RMM: 5 -0.317998310598E+03 0.18501E-04 -0.11599E-04 3791 0.274E-02 7882 T= 5567. E= 0.67574086E+03 F= 0.63827068E+03 E0= 0.66684039E+03 EK= 0.45332E+02 SP= -.81E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318630810395E+03 -0.63248E+00 -0.94826E-02 7824 0.223E+01 0.164E-01 RMM: 2 -0.318642050591E+03 -0.11240E-01 -0.78992E-02 5141 0.630E-01 0.816E-01 RMM: 3 -0.318637220776E+03 0.48298E-02 -0.77070E-03 5730 0.180E-01 0.164E-01 RMM: 4 -0.318637010373E+03 0.21040E-03 -0.51625E-04 4856 0.445E-02 0.918E-02 RMM: 5 -0.318636959485E+03 0.50888E-04 -0.43695E-05 2814 0.205E-02 0.832E-02 RMM: 6 -0.318636939497E+03 0.19988E-04 -0.32033E-05 2767 0.165E-02 7883 T= 5608. E= 0.67573722E+03 F= 0.63763205E+03 E0= 0.66621008E+03 EK= 0.45668E+02 SP= -.78E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319420511138E+03 -0.78355E+00 -0.97309E-02 7768 0.224E+01 0.423E-01 RMM: 2 -0.319469670780E+03 -0.49160E-01 -0.99717E-02 4804 0.771E-01 0.248E+00 RMM: 3 -0.319427232068E+03 0.42439E-01 -0.20978E-02 5337 0.363E-01 0.365E-01 RMM: 4 -0.319426280623E+03 0.95144E-03 -0.22845E-03 5188 0.931E-02 0.107E-01 RMM: 5 -0.319426297990E+03 -0.17367E-04 -0.27141E-04 3907 0.378E-02 0.126E-01 RMM: 6 -0.319426199283E+03 0.98707E-04 -0.61123E-05 3344 0.227E-02 0.532E-02 RMM: 7 -0.319426185206E+03 0.14077E-04 -0.19753E-05 2534 0.137E-02 7884 T= 5671. E= 0.67573284E+03 F= 0.63684280E+03 E0= 0.66542792E+03 EK= 0.46181E+02 SP= -.75E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320303893009E+03 -0.87769E+00 -0.98736E-02 7712 0.226E+01 0.435E-01 RMM: 2 -0.320355623491E+03 -0.51730E-01 -0.10224E-01 5089 0.776E-01 0.257E+00 RMM: 3 -0.320310723544E+03 0.44900E-01 -0.21105E-02 5346 0.367E-01 0.405E-01 RMM: 4 -0.320309537315E+03 0.11862E-02 -0.24048E-03 5037 0.995E-02 0.135E-01 RMM: 5 -0.320309476151E+03 0.61164E-04 -0.29138E-04 3899 0.402E-02 0.121E-01 RMM: 6 -0.320309363371E+03 0.11278E-03 -0.73675E-05 3530 0.246E-02 0.500E-02 RMM: 7 -0.320309355388E+03 0.79833E-05 -0.22589E-05 2572 0.138E-02 7885 T= 5749. E= 0.67572844E+03 F= 0.63595963E+03 E0= 0.66454915E+03 EK= 0.46813E+02 SP= -.72E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321225848452E+03 -0.91649E+00 -0.10440E-01 7672 0.228E+01 0.296E-01 RMM: 2 -0.321252564359E+03 -0.26716E-01 -0.10178E-01 4930 0.755E-01 0.164E+00 RMM: 3 -0.321233835667E+03 0.18729E-01 -0.14050E-02 5389 0.275E-01 0.286E-01 RMM: 4 -0.321233262510E+03 0.57316E-03 -0.14929E-03 4882 0.748E-02 0.850E-02 RMM: 5 -0.321233246120E+03 0.16390E-04 -0.17659E-04 3881 0.343E-02 7886 T= 5834. E= 0.67572573E+03 F= 0.63503574E+03 E0= 0.66362699E+03 EK= 0.47509E+02 SP= -.69E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322155348314E+03 -0.92209E+00 -0.10696E-01 7752 0.230E+01 0.192E-01 RMM: 2 -0.322169182661E+03 -0.13834E-01 -0.92923E-02 5141 0.702E-01 0.926E-01 RMM: 3 -0.322163166379E+03 0.60163E-02 -0.98108E-03 5692 0.200E-01 0.200E-01 RMM: 4 -0.322162828477E+03 0.33790E-03 -0.67435E-04 4864 0.535E-02 0.922E-02 RMM: 5 -0.322162769520E+03 0.58957E-04 -0.77630E-05 3605 0.234E-02 0.801E-02 RMM: 6 -0.322162748241E+03 0.21279E-04 -0.22061E-05 2544 0.137E-02 0.740E-02 RMM: 7 -0.322162748292E+03 -0.51299E-07 -0.10120E-04 3892 0.244E-02 7887 T= 5923. E= 0.67572398E+03 F= 0.63410624E+03 E0= 0.66269794E+03 EK= 0.48231E+02 SP= -.67E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323083029640E+03 -0.92028E+00 -0.11269E-01 7872 0.232E+01 0.310E-01 RMM: 2 -0.323104344488E+03 -0.21315E-01 -0.11096E-01 4822 0.793E-01 0.135E+00 RMM: 3 -0.323091546647E+03 0.12798E-01 -0.14129E-02 5441 0.266E-01 0.264E-01 RMM: 4 -0.323091133184E+03 0.41346E-03 -0.14537E-03 4761 0.784E-02 0.141E-01 RMM: 5 -0.323091099087E+03 0.34097E-04 -0.23036E-04 3928 0.355E-02 0.133E-01 RMM: 6 -0.323090985652E+03 0.11343E-03 -0.73903E-05 3470 0.247E-02 0.321E-02 RMM: 7 -0.323090987676E+03 -0.20239E-05 -0.17723E-05 2523 0.130E-02 7888 T= 6014. E= 0.67572371E+03 F= 0.63317800E+03 E0= 0.66176871E+03 EK= 0.48971E+02 SP= -.65E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324026891091E+03 -0.93591E+00 -0.11584E-01 7864 0.233E+01 0.223E-01 RMM: 2 -0.324045313470E+03 -0.18422E-01 -0.12087E-01 5031 0.806E-01 0.109E+00 RMM: 3 -0.324037090777E+03 0.82227E-02 -0.13835E-02 5745 0.231E-01 0.199E-01 RMM: 4 -0.324036691300E+03 0.39948E-03 -0.90275E-04 4934 0.615E-02 0.959E-02 RMM: 5 -0.324036608018E+03 0.83282E-04 -0.11511E-04 3822 0.277E-02 0.785E-02 RMM: 6 -0.324036577882E+03 0.30136E-04 -0.29389E-05 2623 0.159E-02 0.615E-02 RMM: 7 -0.324036562848E+03 0.15034E-04 -0.45875E-05 2951 0.186E-02 7889 T= 6108. E= 0.67572440E+03 F= 0.63223243E+03 E0= 0.66081981E+03 EK= 0.49743E+02 SP= -.63E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325019875293E+03 -0.98330E+00 -0.11911E-01 7720 0.234E+01 0.225E-01 RMM: 2 -0.325038266952E+03 -0.18392E-01 -0.11537E-01 4936 0.779E-01 0.110E+00 RMM: 3 -0.325029510134E+03 0.87568E-02 -0.13260E-02 5578 0.236E-01 0.216E-01 RMM: 4 -0.325029109774E+03 0.40036E-03 -0.10411E-03 5010 0.636E-02 0.777E-02 RMM: 5 -0.325029080058E+03 0.29717E-04 -0.12373E-04 3841 0.283E-02 0.762E-02 RMM: 6 -0.325029046280E+03 0.33777E-04 -0.26077E-05 2633 0.153E-02 0.422E-02 RMM: 7 -0.325029051125E+03 -0.48441E-05 -0.20187E-05 2549 0.137E-02 7890 T= 6210. E= 0.67572412E+03 F= 0.63123994E+03 E0= 0.65982493E+03 EK= 0.50573E+02 SP= -.61E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326078477750E+03 -0.10494E+01 -0.12502E-01 7976 0.236E+01 0.215E-01 RMM: 2 -0.326097526165E+03 -0.19048E-01 -0.14103E-01 4917 0.841E-01 0.983E-01 RMM: 3 -0.326090384715E+03 0.71415E-02 -0.15318E-02 5811 0.235E-01 0.171E-01 RMM: 4 -0.326090065844E+03 0.31887E-03 -0.92822E-04 4893 0.651E-02 0.126E-01 RMM: 5 -0.326089959096E+03 0.10675E-03 -0.13507E-04 3906 0.291E-02 0.775E-02 RMM: 6 -0.326089923540E+03 0.35557E-04 -0.31241E-05 2755 0.167E-02 0.397E-02 RMM: 7 -0.326089920217E+03 0.33225E-05 -0.22597E-05 2565 0.140E-02 7891 T= 6321. E= 0.67572266E+03 F= 0.63017907E+03 E0= 0.65876138E+03 EK= 0.51478E+02 SP= -.60E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327207958006E+03 -0.11180E+01 -0.12279E-01 7864 0.237E+01 0.170E-01 RMM: 2 -0.327223456455E+03 -0.15498E-01 -0.12398E-01 5040 0.771E-01 0.793E-01 RMM: 3 -0.327218505955E+03 0.49505E-02 -0.12546E-02 5956 0.208E-01 0.159E-01 RMM: 4 -0.327218178532E+03 0.32742E-03 -0.65249E-04 4715 0.559E-02 0.949E-02 RMM: 5 -0.327218118560E+03 0.59972E-04 -0.89048E-05 3672 0.256E-02 0.661E-02 RMM: 6 -0.327218098367E+03 0.20192E-04 -0.24698E-05 2582 0.149E-02 0.511E-02 RMM: 7 -0.327218097247E+03 0.11202E-05 -0.38500E-05 2744 0.169E-02 7892 T= 6441. E= 0.67571923E+03 F= 0.62905089E+03 E0= 0.65763242E+03 EK= 0.52452E+02 SP= -.58E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328375898676E+03 -0.11578E+01 -0.12588E-01 8288 0.238E+01 0.230E-01 RMM: 2 -0.328393286671E+03 -0.17388E-01 -0.12012E-01 5110 0.763E-01 0.102E+00 RMM: 3 -0.328385522976E+03 0.77637E-02 -0.12179E-02 5694 0.228E-01 0.224E-01 RMM: 4 -0.328385094724E+03 0.42825E-03 -0.98129E-04 4797 0.651E-02 0.880E-02 RMM: 5 -0.328385069465E+03 0.25259E-04 -0.13160E-04 3855 0.291E-02 0.883E-02 RMM: 6 -0.328385021610E+03 0.47856E-04 -0.29258E-05 2761 0.165E-02 0.383E-02 RMM: 7 -0.328385021160E+03 0.44945E-06 -0.15279E-05 2502 0.122E-02 7893 T= 6565. E= 0.67571459E+03 F= 0.62788397E+03 E0= 0.65646604E+03 EK= 0.53462E+02 SP= -.57E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329529090871E+03 -0.11441E+01 -0.13210E-01 8416 0.238E+01 0.217E-01 RMM: 2 -0.329547775842E+03 -0.18685E-01 -0.13264E-01 5192 0.778E-01 0.994E-01 RMM: 3 -0.329539919283E+03 0.78566E-02 -0.12701E-02 5771 0.225E-01 0.228E-01 RMM: 4 -0.329539467361E+03 0.45192E-03 -0.92465E-04 4756 0.643E-02 0.912E-02 RMM: 5 -0.329539423298E+03 0.44063E-04 -0.12232E-04 3899 0.277E-02 0.774E-02 RMM: 6 -0.329539389634E+03 0.33664E-04 -0.24782E-05 2610 0.149E-02 0.510E-02 RMM: 7 -0.329539388305E+03 0.13289E-05 -0.22270E-05 2589 0.141E-02 7894 T= 6687. E= 0.67570937E+03 F= 0.62672960E+03 E0= 0.65531432E+03 EK= 0.54455E+02 SP= -.55E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330603382998E+03 -0.10640E+01 -0.13575E-01 8592 0.239E+01 0.266E-01 RMM: 2 -0.330626289585E+03 -0.22907E-01 -0.13613E-01 5237 0.792E-01 0.128E+00 RMM: 3 -0.330614049393E+03 0.12240E-01 -0.13592E-02 5512 0.252E-01 0.255E-01 RMM: 4 -0.330613550303E+03 0.49909E-03 -0.12828E-03 4874 0.712E-02 0.901E-02 RMM: 5 -0.330613527022E+03 0.23281E-04 -0.15487E-04 3876 0.320E-02 0.915E-02 RMM: 6 -0.330613476428E+03 0.50594E-04 -0.33173E-05 2885 0.173E-02 0.450E-02 RMM: 7 -0.330613478912E+03 -0.24845E-05 -0.18778E-05 2525 0.136E-02 7895 T= 6798. E= 0.67570355E+03 F= 0.62565551E+03 E0= 0.65424392E+03 EK= 0.55356E+02 SP= -.54E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331520554636E+03 -0.90708E+00 -0.14847E-01 8584 0.239E+01 0.246E-01 RMM: 2 -0.331543343499E+03 -0.22789E-01 -0.15708E-01 5267 0.832E-01 0.113E+00 RMM: 3 -0.331533082362E+03 0.10261E-01 -0.14672E-02 5613 0.251E-01 0.224E-01 RMM: 4 -0.331532687274E+03 0.39509E-03 -0.12111E-03 4849 0.708E-02 0.107E-01 RMM: 5 -0.331532634221E+03 0.53053E-04 -0.15678E-04 3887 0.315E-02 0.897E-02 RMM: 6 -0.331532585714E+03 0.48507E-04 -0.34504E-05 2857 0.176E-02 0.504E-02 RMM: 7 -0.331532585448E+03 0.26600E-06 -0.21982E-05 2555 0.147E-02 7896 T= 6887. E= 0.67569787E+03 F= 0.62473640E+03 E0= 0.65332855E+03 EK= 0.56088E+02 SP= -.52E+01 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332213955673E+03 -0.68137E+00 -0.15816E-01 8704 0.240E+01 0.239E-01 RMM: 2 -0.332237206886E+03 -0.23251E-01 -0.15901E-01 5427 0.812E-01 0.115E+00 RMM: 3 -0.332226428424E+03 0.10778E-01 -0.12458E-02 5616 0.236E-01 0.230E-01 RMM: 4 -0.332226018582E+03 0.40984E-03 -0.11300E-03 4915 0.671E-02 0.984E-02 RMM: 5 -0.332225972372E+03 0.46211E-04 -0.13334E-04 3847 0.296E-02 0.866E-02 RMM: 6 -0.332225932549E+03 0.39823E-04 -0.29416E-05 2729 0.164E-02 0.539E-02 RMM: 7 -0.332225936918E+03 -0.43699E-05 -0.24161E-05 2575 0.150E-02 7897 T= 6948. E= 0.67569348E+03 F= 0.62404305E+03 E0= 0.65263775E+03 EK= 0.56577E+02 SP= -.50E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332626781900E+03 -0.40085E+00 -0.17170E-01 8848 0.239E+01 0.220E-01 RMM: 2 -0.332649489207E+03 -0.22707E-01 -0.17921E-01 5325 0.861E-01 0.975E-01 RMM: 3 -0.332641029529E+03 0.84597E-02 -0.13965E-02 5780 0.243E-01 0.184E-01 RMM: 4 -0.332640745856E+03 0.28367E-03 -0.10443E-03 4934 0.654E-02 0.111E-01 RMM: 5 -0.332640680806E+03 0.65051E-04 -0.12664E-04 3855 0.287E-02 0.883E-02 RMM: 6 -0.332640639363E+03 0.41442E-04 -0.31985E-05 2775 0.171E-02 0.522E-02 RMM: 7 -0.332640641444E+03 -0.20811E-05 -0.29300E-05 2634 0.167E-02 7898 T= 6971. E= 0.67569051E+03 F= 0.62362835E+03 E0= 0.65222378E+03 EK= 0.56770E+02 SP= -.48E+01 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332736418302E+03 -0.95779E-01 -0.17357E-01 8896 0.239E+01 0.204E-01 RMM: 2 -0.332759051209E+03 -0.22633E-01 -0.17576E-01 5628 0.824E-01 0.965E-01 RMM: 3 -0.332750585376E+03 0.84658E-02 -0.11397E-02 5690 0.219E-01 0.194E-01 RMM: 4 -0.332750299002E+03 0.28637E-03 -0.93274E-04 4865 0.625E-02 0.112E-01 RMM: 5 -0.332750220266E+03 0.78736E-04 -0.11818E-04 3824 0.269E-02 0.826E-02 RMM: 6 -0.332750186868E+03 0.33397E-04 -0.28380E-05 2735 0.163E-02 0.552E-02 RMM: 7 -0.332750195864E+03 -0.89956E-05 -0.31732E-05 2668 0.164E-02 7899 T= 6955. E= 0.67569025E+03 F= 0.62351879E+03 E0= 0.65211278E+03 EK= 0.56641E+02 SP= -.46E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332547624145E+03 0.20256E+00 -0.18663E-01 8904 0.237E+01 0.214E-01 RMM: 2 -0.332570818691E+03 -0.23195E-01 -0.19389E-01 5360 0.889E-01 0.886E-01 RMM: 3 -0.332563615815E+03 0.72029E-02 -0.14173E-02 6030 0.238E-01 0.174E-01 RMM: 4 -0.332563317895E+03 0.29792E-03 -0.88108E-04 4966 0.621E-02 0.114E-01 RMM: 5 -0.332563250248E+03 0.67647E-04 -0.11411E-04 3817 0.270E-02 0.863E-02 RMM: 6 -0.332563213192E+03 0.37056E-04 -0.32267E-05 2815 0.173E-02 0.520E-02 RMM: 7 -0.332563223360E+03 -0.10167E-04 -0.33234E-05 2704 0.171E-02 7900 T= 6901. E= 0.67569231E+03 F= 0.62370577E+03 E0= 0.65229772E+03 EK= 0.56201E+02 SP= -.43E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332105494933E+03 0.45772E+00 -0.19263E-01 8776 0.235E+01 0.208E-01 RMM: 2 -0.332129493364E+03 -0.23998E-01 -0.18993E-01 6024 0.832E-01 0.946E-01 RMM: 3 -0.332120906493E+03 0.85869E-02 -0.91775E-03 5587 0.207E-01 0.179E-01 RMM: 4 -0.332120735134E+03 0.17136E-03 -0.90585E-04 4871 0.617E-02 0.129E-01 RMM: 5 -0.332120628637E+03 0.10650E-03 -0.12104E-04 3821 0.270E-02 0.828E-02 RMM: 6 -0.332120594594E+03 0.34043E-04 -0.29836E-05 2813 0.169E-02 0.525E-02 RMM: 7 -0.332120606843E+03 -0.12249E-04 -0.32552E-05 2668 0.157E-02 7901 T= 6814. E= 0.67569601E+03 F= 0.62414838E+03 E0= 0.65273698E+03 EK= 0.55493E+02 SP= -.41E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331469553406E+03 0.65104E+00 -0.20380E-01 8840 0.233E+01 0.236E-01 RMM: 2 -0.331494961802E+03 -0.25408E-01 -0.20795E-01 5595 0.894E-01 0.955E-01 RMM: 3 -0.331486400216E+03 0.85616E-02 -0.12717E-02 5990 0.234E-01 0.192E-01 RMM: 4 -0.331486134348E+03 0.26587E-03 -0.96968E-04 4888 0.646E-02 0.121E-01 RMM: 5 -0.331486058532E+03 0.75816E-04 -0.12795E-04 3836 0.281E-02 0.961E-02 RMM: 6 -0.331486010724E+03 0.47808E-04 -0.36631E-05 2951 0.185E-02 0.538E-02 RMM: 7 -0.331486021884E+03 -0.11159E-04 -0.36620E-05 2786 0.175E-02 7902 T= 6703. E= 0.67570028E+03 F= 0.62478297E+03 E0= 0.65336913E+03 EK= 0.54585E+02 SP= -.38E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330716314708E+03 0.76970E+00 -0.21042E-01 8776 0.231E+01 0.228E-01 RMM: 2 -0.330742948279E+03 -0.26634E-01 -0.21043E-01 5902 0.867E-01 0.998E-01 RMM: 3 -0.330733103215E+03 0.98451E-02 -0.10518E-02 5631 0.217E-01 0.191E-01 RMM: 4 -0.330732897373E+03 0.20584E-03 -0.10491E-03 4852 0.658E-02 0.135E-01 RMM: 5 -0.330732789553E+03 0.10782E-03 -0.14358E-04 3875 0.296E-02 0.928E-02 RMM: 6 -0.330732745223E+03 0.44330E-04 -0.37485E-05 2993 0.184E-02 0.565E-02 RMM: 7 -0.330732761181E+03 -0.15957E-04 -0.44212E-05 2986 0.178E-02 7903 T= 6576. E= 0.67570452E+03 F= 0.62553623E+03 E0= 0.65412240E+03 EK= 0.53555E+02 SP= -.35E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329914403162E+03 0.81834E+00 -0.21681E-01 8880 0.229E+01 0.235E-01 RMM: 2 -0.329942263750E+03 -0.27861E-01 -0.22090E-01 5706 0.903E-01 0.102E+00 RMM: 3 -0.329932292342E+03 0.99714E-02 -0.12754E-02 5748 0.233E-01 0.211E-01 RMM: 4 -0.329931969641E+03 0.32270E-03 -0.11153E-03 4844 0.690E-02 0.124E-01 RMM: 5 -0.329931892387E+03 0.77254E-04 -0.15259E-04 3885 0.309E-02 0.964E-02 RMM: 6 -0.329931844150E+03 0.48238E-04 -0.42286E-05 3076 0.194E-02 0.552E-02 RMM: 7 -0.329931860991E+03 -0.16842E-04 -0.34743E-05 2777 0.169E-02 7904 T= 6444. E= 0.67570813E+03 F= 0.62633713E+03 E0= 0.65492683E+03 EK= 0.52479E+02 SP= -.33E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329125421271E+03 0.80642E+00 -0.22102E-01 8936 0.228E+01 0.236E-01 RMM: 2 -0.329152969526E+03 -0.27548E-01 -0.21480E-01 5867 0.878E-01 0.104E+00 RMM: 3 -0.329142761821E+03 0.10208E-01 -0.11397E-02 5542 0.227E-01 0.209E-01 RMM: 4 -0.329142497770E+03 0.26405E-03 -0.11429E-03 4876 0.676E-02 0.125E-01 RMM: 5 -0.329142414523E+03 0.83248E-04 -0.15142E-04 3913 0.304E-02 0.963E-02 RMM: 6 -0.329142364218E+03 0.50305E-04 -0.42385E-05 3092 0.191E-02 0.544E-02 RMM: 7 -0.329142383170E+03 -0.18952E-04 -0.36753E-05 2815 0.168E-02 7905 T= 6315. E= 0.67571116E+03 F= 0.62712661E+03 E0= 0.65572215E+03 EK= 0.51422E+02 SP= -.30E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328392295038E+03 0.75007E+00 -0.23521E-01 9032 0.227E+01 0.230E-01 RMM: 2 -0.328420060593E+03 -0.27766E-01 -0.22058E-01 5626 0.917E-01 0.101E+00 RMM: 3 -0.328410827410E+03 0.92332E-02 -0.13659E-02 5608 0.242E-01 0.213E-01 RMM: 4 -0.328410484047E+03 0.34336E-03 -0.11576E-03 4942 0.688E-02 0.115E-01 RMM: 5 -0.328410430852E+03 0.53195E-04 -0.15104E-04 3902 0.308E-02 0.997E-02 RMM: 6 -0.328410377965E+03 0.52887E-04 -0.44255E-05 3095 0.196E-02 0.542E-02 RMM: 7 -0.328410398155E+03 -0.20190E-04 -0.36273E-05 2838 0.175E-02 0.825E-02 RMM: 8 -0.328410363273E+03 0.34882E-04 -0.65035E-05 3499 0.211E-02 0.419E-02 RMM: 9 -0.328410353900E+03 0.93734E-05 -0.17895E-05 2516 0.121E-02 7906 T= 6193. E= 0.67571309E+03 F= 0.62785864E+03 E0= 0.65646237E+03 EK= 0.50433E+02 SP= -.27E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327749379584E+03 0.66098E+00 -0.23627E-01 9024 0.227E+01 0.196E-01 RMM: 2 -0.327772071146E+03 -0.22692E-01 -0.20260E-01 6249 0.856E-01 0.729E-01 RMM: 3 -0.327766583678E+03 0.54875E-02 -0.82516E-03 5509 0.198E-01 0.192E-01 RMM: 4 -0.327766420008E+03 0.16367E-03 -0.84886E-04 4815 0.615E-02 0.137E-01 RMM: 5 -0.327766307927E+03 0.11208E-03 -0.14196E-04 3895 0.302E-02 0.899E-02 RMM: 6 -0.327766261149E+03 0.46778E-04 -0.40060E-05 3069 0.190E-02 0.465E-02 RMM: 7 -0.327766268418E+03 -0.72691E-05 -0.36937E-05 2687 0.170E-02 7907 T= 6084. E= 0.67571409E+03 F= 0.62850272E+03 E0= 0.65711491E+03 EK= 0.49547E+02 SP= -.25E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327215552370E+03 0.55071E+00 -0.24155E-01 8920 0.226E+01 0.217E-01 RMM: 2 -0.327240776783E+03 -0.25224E-01 -0.20527E-01 6007 0.875E-01 0.935E-01 RMM: 3 -0.327232948837E+03 0.78279E-02 -0.10662E-02 5857 0.212E-01 0.226E-01 RMM: 4 -0.327232552891E+03 0.39595E-03 -0.84739E-04 4832 0.605E-02 0.981E-02 RMM: 5 -0.327232515376E+03 0.37515E-04 -0.10685E-04 3915 0.248E-02 0.868E-02 RMM: 6 -0.327232492015E+03 0.23361E-04 -0.28039E-05 2694 0.162E-02 0.687E-02 RMM: 7 -0.327232527163E+03 -0.35148E-04 -0.65393E-05 3467 0.213E-02 0.101E-01 RMM: 8 -0.327232473370E+03 0.53793E-04 -0.83539E-05 3834 0.229E-02 0.463E-02 RMM: 9 -0.327232461345E+03 0.12025E-04 -0.16288E-05 2533 0.117E-02 7908 T= 5991. E= 0.67571461E+03 F= 0.62903653E+03 E0= 0.65765545E+03 EK= 0.48790E+02 SP= -.22E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326808278409E+03 0.42419E+00 -0.24114E-01 8944 0.226E+01 0.178E-01 RMM: 2 -0.326829123329E+03 -0.20845E-01 -0.19644E-01 6554 0.839E-01 0.589E-01 RMM: 3 -0.326825207250E+03 0.39161E-02 -0.71251E-03 5537 0.183E-01 0.148E-01 RMM: 4 -0.326825182770E+03 0.24480E-04 -0.67196E-04 4768 0.546E-02 0.161E-01 RMM: 5 -0.326825007603E+03 0.17517E-03 -0.12371E-04 3874 0.296E-02 0.693E-02 RMM: 6 -0.326824986645E+03 0.20958E-04 -0.27680E-05 2744 0.161E-02 0.478E-02 RMM: 7 -0.326824995445E+03 -0.88001E-05 -0.28184E-05 2625 0.148E-02 7909 T= 5916. E= 0.67571417E+03 F= 0.62944399E+03 E0= 0.65806640E+03 EK= 0.48179E+02 SP= -.20E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326530510553E+03 0.29448E+00 -0.23505E-01 8976 0.226E+01 0.168E-01 RMM: 2 -0.326551729312E+03 -0.21219E-01 -0.19468E-01 6336 0.841E-01 0.647E-01 RMM: 3 -0.326547251154E+03 0.44782E-02 -0.84100E-03 5807 0.186E-01 0.168E-01 RMM: 4 -0.326547028972E+03 0.22218E-03 -0.59683E-04 4665 0.491E-02 0.102E-01 RMM: 5 -0.326546968780E+03 0.60192E-04 -0.65519E-05 3354 0.223E-02 0.760E-02 RMM: 6 -0.326546967278E+03 0.15025E-05 -0.29834E-05 2638 0.165E-02 7910 T= 5860. E= 0.67571173E+03 F= 0.62972202E+03 E0= 0.65834412E+03 EK= 0.47718E+02 SP= -.18E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326367632519E+03 0.17934E+00 -0.22990E-01 8984 0.226E+01 0.301E-01 RMM: 2 -0.326404422036E+03 -0.36790E-01 -0.20639E-01 5819 0.874E-01 0.160E+00 RMM: 3 -0.326384709005E+03 0.19713E-01 -0.15184E-02 5400 0.277E-01 0.307E-01 RMM: 4 -0.326384022367E+03 0.68664E-03 -0.16430E-03 4905 0.798E-02 0.116E-01 RMM: 5 -0.326383954516E+03 0.67851E-04 -0.17570E-04 4305 0.302E-02 0.939E-02 RMM: 6 -0.326383918995E+03 0.35521E-04 -0.27573E-05 2633 0.157E-02 0.727E-02 RMM: 7 -0.326383944192E+03 -0.25197E-04 -0.60152E-05 3379 0.214E-02 0.100E-01 RMM: 8 -0.326383895887E+03 0.48305E-04 -0.12823E-04 3894 0.230E-02 0.604E-02 RMM: 9 -0.326383875087E+03 0.20800E-04 -0.25567E-05 2641 0.143E-02 0.237E-02 RMM: 10 -0.326383880403E+03 -0.53159E-05 -0.11270E-05 2466 0.105E-02 7911 T= 5820. E= 0.67570857E+03 F= 0.62988511E+03 E0= 0.65850381E+03 EK= 0.47395E+02 SP= -.16E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326294173494E+03 0.89702E-01 -0.22905E-01 8992 0.227E+01 0.297E-01 RMM: 2 -0.326326751670E+03 -0.32578E-01 -0.20952E-01 5773 0.882E-01 0.139E+00 RMM: 3 -0.326311382123E+03 0.15370E-01 -0.13540E-02 5393 0.259E-01 0.315E-01 RMM: 4 -0.326310737602E+03 0.64452E-03 -0.17325E-03 4830 0.896E-02 0.145E-01 RMM: 5 -0.326310653674E+03 0.83928E-04 -0.24472E-04 4014 0.368E-02 0.120E-01 RMM: 6 -0.326310569154E+03 0.84521E-04 -0.59816E-05 3344 0.226E-02 0.546E-02 RMM: 7 -0.326310591619E+03 -0.22465E-04 -0.43512E-05 3045 0.183E-02 0.845E-02 RMM: 8 -0.326310551421E+03 0.40198E-04 -0.78671E-05 3755 0.223E-02 0.343E-02 RMM: 9 -0.326310547564E+03 0.38572E-05 -0.16031E-05 2514 0.115E-02 7912 T= 5794. E= 0.67570686E+03 F= 0.62995844E+03 E0= 0.65857088E+03 EK= 0.47187E+02 SP= -.15E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326302957167E+03 0.75943E-02 -0.23344E-01 9040 0.227E+01 0.224E-01 RMM: 2 -0.326330269324E+03 -0.27312E-01 -0.20530E-01 5928 0.885E-01 0.109E+00 RMM: 3 -0.326320364221E+03 0.99051E-02 -0.11962E-02 5613 0.226E-01 0.190E-01 RMM: 4 -0.326320090045E+03 0.27418E-03 -0.98898E-04 4843 0.645E-02 0.122E-01 RMM: 5 -0.326319999131E+03 0.90914E-04 -0.11914E-04 4050 0.255E-02 0.841E-02 RMM: 6 -0.326319970289E+03 0.28842E-04 -0.24498E-05 2595 0.153E-02 0.642E-02 RMM: 7 -0.326319982765E+03 -0.12476E-04 -0.61433E-05 3350 0.204E-02 7913 T= 5782. E= 0.67570763E+03 F= 0.62994901E+03 E0= 0.65855320E+03 EK= 0.47089E+02 SP= -.14E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326433147998E+03 -0.11318E+00 -0.24588E-01 9136 0.227E+01 0.232E-01 RMM: 2 -0.326460834626E+03 -0.27687E-01 -0.21443E-01 5788 0.924E-01 0.106E+00 RMM: 3 -0.326451555658E+03 0.92790E-02 -0.13703E-02 5682 0.236E-01 0.237E-01 RMM: 4 -0.326451089937E+03 0.46572E-03 -0.10715E-03 4868 0.676E-02 0.109E-01 RMM: 5 -0.326451025265E+03 0.64671E-04 -0.12602E-04 4308 0.255E-02 0.848E-02 RMM: 6 -0.326451011393E+03 0.13872E-04 -0.27941E-05 2689 0.163E-02 7914 T= 5789. E= 0.67571109E+03 F= 0.62981798E+03 E0= 0.65841177E+03 EK= 0.47139E+02 SP= -.13E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326763142217E+03 -0.31212E+00 -0.25820E-01 9032 0.227E+01 0.368E-01 RMM: 2 -0.326815374355E+03 -0.52232E-01 -0.22854E-01 5588 0.977E-01 0.216E+00 RMM: 3 -0.326782130867E+03 0.33243E-01 -0.20738E-02 5394 0.327E-01 0.382E-01 RMM: 4 -0.326781140720E+03 0.99015E-03 -0.24335E-03 5108 0.955E-02 0.137E-01 RMM: 5 -0.326781061139E+03 0.79581E-04 -0.26478E-04 4482 0.330E-02 0.119E-01 RMM: 6 -0.326781014995E+03 0.46145E-04 -0.45595E-05 3087 0.195E-02 0.100E-01 RMM: 7 -0.326781100120E+03 -0.85126E-04 -0.13121E-04 3886 0.296E-02 0.149E-01 RMM: 8 -0.326780990130E+03 0.10999E-03 -0.21071E-04 3897 0.317E-02 0.798E-02 RMM: 9 -0.326780949501E+03 0.40629E-04 -0.40950E-05 2986 0.177E-02 0.219E-02 RMM: 10 -0.326780954534E+03 -0.50332E-05 -0.12077E-05 2475 0.112E-02 7915 T= 5822. E= 0.67571451E+03 F= 0.62948803E+03 E0= 0.65806967E+03 EK= 0.47413E+02 SP= -.12E+01 SK= 0.59E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327357946488E+03 -0.57700E+00 -0.24344E-01 8968 0.227E+01 0.414E-01 RMM: 2 -0.327412143989E+03 -0.54198E-01 -0.21883E-01 5357 0.951E-01 0.226E+00 RMM: 3 -0.327375401487E+03 0.36743E-01 -0.21252E-02 5394 0.332E-01 0.389E-01 RMM: 4 -0.327374371162E+03 0.10303E-02 -0.30290E-03 5251 0.118E-01 0.166E-01 RMM: 5 -0.327374399743E+03 -0.28581E-04 -0.43046E-04 4126 0.437E-02 0.186E-01 RMM: 6 -0.327374173768E+03 0.22597E-03 -0.11803E-04 3812 0.300E-02 0.465E-02 RMM: 7 -0.327374194610E+03 -0.20842E-04 -0.41496E-05 3065 0.177E-02 0.721E-02 RMM: 8 -0.327374180134E+03 0.14477E-04 -0.38764E-05 2750 0.187E-02 7916 T= 5890. E= 0.67571276E+03 F= 0.62889481E+03 E0= 0.65746356E+03 EK= 0.47967E+02 SP= -.12E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328198595151E+03 -0.82440E+00 -0.24227E-01 8984 0.228E+01 0.188E-01 RMM: 2 -0.328222539680E+03 -0.23945E-01 -0.19407E-01 5616 0.867E-01 0.913E-01 RMM: 3 -0.328215063405E+03 0.74763E-02 -0.12299E-02 5835 0.217E-01 0.175E-01 RMM: 4 -0.328214753593E+03 0.30981E-03 -0.81298E-04 4834 0.601E-02 0.983E-02 RMM: 5 -0.328214698606E+03 0.54987E-04 -0.10606E-04 3916 0.243E-02 0.722E-02 RMM: 6 -0.328214681240E+03 0.17366E-04 -0.25422E-05 2614 0.155E-02 7917 T= 5990. E= 0.67570316E+03 F= 0.62805431E+03 E0= 0.65661021E+03 EK= 0.48782E+02 SP= -.11E+01 SK= 0.13E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.329161784588E+03 -0.94709E+00 -0.24624E-01 9000 0.229E+01 0.270E-01 RMM: 2 -0.329198288581E+03 -0.36504E-01 -0.21316E-01 5736 0.882E-01 0.154E+00 RMM: 3 -0.329179195768E+03 0.19093E-01 -0.14569E-02 5413 0.265E-01 0.261E-01 RMM: 4 -0.329178738135E+03 0.45763E-03 -0.15617E-03 5054 0.751E-02 0.112E-01 RMM: 5 -0.329178668515E+03 0.69620E-04 -0.15520E-04 4083 0.301E-02 0.963E-02 RMM: 6 -0.329178630952E+03 0.37563E-04 -0.35000E-05 2865 0.174E-02 0.762E-02 RMM: 7 -0.329178675303E+03 -0.44351E-04 -0.94278E-05 3831 0.257E-02 0.115E-01 RMM: 8 -0.329178589505E+03 0.85798E-04 -0.11041E-04 3892 0.234E-02 0.461E-02 RMM: 9 -0.329178582335E+03 0.71700E-05 -0.22919E-05 2628 0.136E-02 7918 T= 6107. E= 0.67568951E+03 F= 0.62709041E+03 E0= 0.65563585E+03 EK= 0.49734E+02 SP= -.11E+01 SK= 0.17E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330059809982E+03 -0.88122E+00 -0.26721E-01 8992 0.232E+01 0.309E-01 RMM: 2 -0.330097145603E+03 -0.37336E-01 -0.24929E-01 5671 0.973E-01 0.145E+00 RMM: 3 -0.330080082592E+03 0.17063E-01 -0.16548E-02 5449 0.280E-01 0.278E-01 RMM: 4 -0.330079670784E+03 0.41181E-03 -0.19058E-03 4953 0.918E-02 0.186E-01 RMM: 5 -0.330079538459E+03 0.13232E-03 -0.29603E-04 3904 0.429E-02 0.139E-01 RMM: 6 -0.330079426461E+03 0.11200E-03 -0.91756E-05 3637 0.273E-02 0.607E-02 RMM: 7 -0.330079459676E+03 -0.33215E-04 -0.54230E-05 3267 0.202E-02 0.923E-02 RMM: 8 -0.330079412098E+03 0.47578E-04 -0.58807E-05 3312 0.217E-02 0.343E-02 RMM: 9 -0.330079413444E+03 -0.13463E-05 -0.18111E-05 2530 0.124E-02 7919 T= 6218. E= 0.67567693E+03 F= 0.62618958E+03 E0= 0.65472737E+03 EK= 0.50638E+02 SP= -.12E+01 SK= 0.99E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330721300032E+03 -0.64189E+00 -0.27884E-01 9008 0.234E+01 0.286E-01 RMM: 2 -0.330759960948E+03 -0.38661E-01 -0.26090E-01 5938 0.990E-01 0.145E+00 RMM: 3 -0.330743184451E+03 0.16776E-01 -0.15526E-02 5486 0.269E-01 0.260E-01 RMM: 4 -0.330742738768E+03 0.44568E-03 -0.15994E-03 4880 0.800E-02 0.135E-01 RMM: 5 -0.330742631043E+03 0.10773E-03 -0.19195E-04 4133 0.321E-02 0.988E-02 RMM: 6 -0.330742587586E+03 0.43456E-04 -0.34634E-05 2889 0.178E-02 0.694E-02 RMM: 7 -0.330742591521E+03 -0.39351E-05 -0.49356E-05 3127 0.191E-02 7920 T= 6302. E= 0.67566979E+03 F= 0.62552640E+03 E0= 0.65405903E+03 EK= 0.51321E+02 SP= -.12E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331044263759E+03 -0.30168E+00 -0.28692E-01 9048 0.235E+01 0.203E-01 RMM: 2 -0.331073635918E+03 -0.29372E-01 -0.26080E-01 6300 0.975E-01 0.840E-01 RMM: 3 -0.331067114266E+03 0.65217E-02 -0.11863E-02 5624 0.223E-01 0.210E-01 RMM: 4 -0.331066776339E+03 0.33793E-03 -0.88479E-04 5201 0.574E-02 0.122E-01 RMM: 5 -0.331066708153E+03 0.68186E-04 -0.75633E-05 3565 0.225E-02 0.100E-01 RMM: 6 -0.331066711520E+03 -0.33664E-05 -0.34679E-05 2783 0.176E-02 7921 T= 6346. E= 0.67566796E+03 F= 0.62520228E+03 E0= 0.65373248E+03 EK= 0.51678E+02 SP= -.12E+01 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331014211269E+03 0.52497E-01 -0.30606E-01 9008 0.234E+01 0.338E-01 RMM: 2 -0.331069500168E+03 -0.55289E-01 -0.29931E-01 5521 0.107E+00 0.198E+00 RMM: 3 -0.331039336842E+03 0.30163E-01 -0.23383E-02 5431 0.336E-01 0.351E-01 RMM: 4 -0.331038463898E+03 0.87294E-03 -0.25730E-03 5330 0.979E-02 0.124E-01 RMM: 5 -0.331038395367E+03 0.68531E-04 -0.26840E-04 4912 0.311E-02 0.109E-01 RMM: 6 -0.331038356445E+03 0.38922E-04 -0.31934E-05 2842 0.169E-02 0.905E-02 RMM: 7 -0.331038405498E+03 -0.49053E-04 -0.73577E-05 3535 0.229E-02 0.125E-01 RMM: 8 -0.331038321075E+03 0.84423E-04 -0.16438E-04 3896 0.272E-02 0.591E-02 RMM: 9 -0.331038303092E+03 0.17983E-04 -0.31417E-05 2761 0.154E-02 7922 T= 6348. E= 0.67567080E+03 F= 0.62523069E+03 E0= 0.65376016E+03 EK= 0.51692E+02 SP= -.13E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330691280356E+03 0.34704E+00 -0.32292E-01 8960 0.233E+01 0.420E-01 RMM: 2 -0.330756759464E+03 -0.65479E-01 -0.30781E-01 5350 0.107E+00 0.232E+00 RMM: 3 -0.330715617435E+03 0.41142E-01 -0.26053E-02 5413 0.356E-01 0.368E-01 RMM: 4 -0.330714724507E+03 0.89293E-03 -0.33204E-03 5366 0.120E-01 0.184E-01 RMM: 5 -0.330714665083E+03 0.59424E-04 -0.44723E-04 4169 0.438E-02 0.172E-01 RMM: 6 -0.330714478843E+03 0.18624E-03 -0.11218E-04 3779 0.288E-02 0.590E-02 RMM: 7 -0.330714506601E+03 -0.27757E-04 -0.62935E-05 3388 0.205E-02 0.900E-02 RMM: 8 -0.330714473827E+03 0.32774E-04 -0.82643E-05 3766 0.230E-02 0.427E-02 RMM: 9 -0.330714465423E+03 0.84038E-05 -0.15937E-05 2534 0.113E-02 7923 T= 6314. E= 0.67567694E+03 F= 0.62555452E+03 E0= 0.65408100E+03 EK= 0.51420E+02 SP= -.13E+01 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330166706057E+03 0.54777E+00 -0.34427E-01 8920 0.231E+01 0.255E-01 RMM: 2 -0.330205944853E+03 -0.39239E-01 -0.28586E-01 5930 0.102E+00 0.133E+00 RMM: 3 -0.330191183972E+03 0.14761E-01 -0.15920E-02 5541 0.268E-01 0.229E-01 RMM: 4 -0.330190779300E+03 0.40467E-03 -0.14213E-03 4951 0.758E-02 0.124E-01 RMM: 5 -0.330190682585E+03 0.96715E-04 -0.17274E-04 4376 0.302E-02 0.866E-02 RMM: 6 -0.330190648443E+03 0.34141E-04 -0.30441E-05 2757 0.165E-02 0.623E-02 RMM: 7 -0.330190663230E+03 -0.14786E-04 -0.51774E-05 3219 0.196E-02 7924 T= 6257. E= 0.67568306E+03 F= 0.62607833E+03 E0= 0.65459787E+03 EK= 0.50955E+02 SP= -.14E+01 SK= 0.69E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329548201118E+03 0.64245E+00 -0.34700E-01 8968 0.229E+01 0.183E-01 RMM: 2 -0.329577768186E+03 -0.29567E-01 -0.26967E-01 6259 0.986E-01 0.733E-01 RMM: 3 -0.329571941770E+03 0.58264E-02 -0.12151E-02 5699 0.224E-01 0.178E-01 RMM: 4 -0.329571670407E+03 0.27136E-03 -0.87780E-04 4974 0.603E-02 0.111E-01 RMM: 5 -0.329571593372E+03 0.77035E-04 -0.10462E-04 3809 0.263E-02 0.769E-02 RMM: 6 -0.329571581232E+03 0.12140E-04 -0.28608E-05 2669 0.161E-02 7925 T= 6189. E= 0.67568836E+03 F= 0.62669741E+03 E0= 0.65520516E+03 EK= 0.50401E+02 SP= -.14E+01 SK= 0.96E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328932669437E+03 0.63892E+00 -0.35142E-01 8944 0.228E+01 0.330E-01 RMM: 2 -0.328981034240E+03 -0.48365E-01 -0.28397E-01 5539 0.106E+00 0.178E+00 RMM: 3 -0.328956668031E+03 0.24366E-01 -0.20460E-02 5445 0.315E-01 0.337E-01 RMM: 4 -0.328955822467E+03 0.84556E-03 -0.21131E-03 5145 0.906E-02 0.121E-01 RMM: 5 -0.328955763805E+03 0.58662E-04 -0.25617E-04 4561 0.329E-02 0.106E-01 RMM: 6 -0.328955719151E+03 0.44654E-04 -0.40099E-05 2949 0.182E-02 0.830E-02 RMM: 7 -0.328955773194E+03 -0.54043E-04 -0.89036E-05 3712 0.247E-02 0.125E-01 RMM: 8 -0.328955686138E+03 0.87056E-04 -0.17348E-04 3889 0.283E-02 0.554E-02 RMM: 9 -0.328955669416E+03 0.16722E-04 -0.27892E-05 2675 0.146E-02 7926 T= 6123. E= 0.67569330E+03 F= 0.62731332E+03 E0= 0.65580316E+03 EK= 0.49861E+02 SP= -.15E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328404294505E+03 0.55139E+00 -0.33172E-01 8968 0.227E+01 0.351E-01 RMM: 2 -0.328451383909E+03 -0.47089E-01 -0.27440E-01 5393 0.105E+00 0.179E+00 RMM: 3 -0.328427498695E+03 0.23885E-01 -0.20788E-02 5454 0.318E-01 0.321E-01 RMM: 4 -0.328426909824E+03 0.58887E-03 -0.24797E-03 5255 0.105E-01 0.187E-01 RMM: 5 -0.328426850080E+03 0.59745E-04 -0.37839E-04 3939 0.437E-02 0.169E-01 RMM: 6 -0.328426661588E+03 0.18849E-03 -0.11962E-04 3830 0.302E-02 0.541E-02 RMM: 7 -0.328426680008E+03 -0.18420E-04 -0.44975E-05 3128 0.184E-02 7927 T= 6069. E= 0.67569775E+03 F= 0.62784231E+03 E0= 0.65630812E+03 EK= 0.49421E+02 SP= -.16E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328030086949E+03 0.39657E+00 -0.29853E-01 9040 0.227E+01 0.224E-01 RMM: 2 -0.328061461181E+03 -0.31374E-01 -0.24531E-01 5844 0.100E+00 0.110E+00 RMM: 3 -0.328051922465E+03 0.95387E-02 -0.16162E-02 5690 0.256E-01 0.198E-01 RMM: 4 -0.328051527687E+03 0.39478E-03 -0.10704E-03 4964 0.677E-02 0.113E-01 RMM: 5 -0.328051466973E+03 0.60714E-04 -0.14460E-04 4099 0.292E-02 0.901E-02 RMM: 6 -0.328051433358E+03 0.33615E-04 -0.36325E-05 2938 0.180E-02 0.648E-02 RMM: 7 -0.328051477154E+03 -0.43796E-04 -0.66110E-05 3460 0.215E-02 0.108E-01 RMM: 8 -0.328051402841E+03 0.74313E-04 -0.75776E-05 3711 0.224E-02 0.307E-02 RMM: 9 -0.328051401091E+03 0.17507E-05 -0.15589E-05 2516 0.114E-02 7928 T= 6035. E= 0.67570073E+03 F= 0.62821759E+03 E0= 0.65665357E+03 EK= 0.49147E+02 SP= -.17E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327854027088E+03 0.19738E+00 -0.27745E-01 9080 0.228E+01 0.239E-01 RMM: 2 -0.327885160948E+03 -0.31134E-01 -0.24691E-01 5310 0.103E+00 0.109E+00 RMM: 3 -0.327875479490E+03 0.96815E-02 -0.19262E-02 5858 0.271E-01 0.195E-01 RMM: 4 -0.327875053975E+03 0.42552E-03 -0.12096E-03 4904 0.745E-02 0.137E-01 RMM: 5 -0.327874935289E+03 0.11869E-03 -0.18009E-04 4034 0.317E-02 0.868E-02 RMM: 6 -0.327874894404E+03 0.40885E-04 -0.43766E-05 3072 0.193E-02 0.534E-02 RMM: 7 -0.327874903817E+03 -0.94131E-05 -0.36107E-05 2763 0.175E-02 7929 T= 6028. E= 0.67570077E+03 F= 0.62839409E+03 E0= 0.65679499E+03 EK= 0.49086E+02 SP= -.18E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327894227604E+03 -0.19333E-01 -0.23877E-01 8992 0.229E+01 0.192E-01 RMM: 2 -0.327918866559E+03 -0.24639E-01 -0.21304E-01 5625 0.953E-01 0.822E-01 RMM: 3 -0.327912915305E+03 0.59513E-02 -0.14784E-02 5895 0.235E-01 0.177E-01 RMM: 4 -0.327912542780E+03 0.37253E-03 -0.81164E-04 4912 0.606E-02 0.104E-01 RMM: 5 -0.327912485656E+03 0.57124E-04 -0.10560E-04 3824 0.264E-02 0.807E-02 RMM: 6 -0.327912474539E+03 0.11117E-04 -0.33600E-05 2780 0.175E-02 7930 T= 6048. E= 0.67569854E+03 F= 0.62835651E+03 E0= 0.65671966E+03 EK= 0.49253E+02 SP= -.20E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328134306426E+03 -0.22182E+00 -0.21356E-01 9000 0.231E+01 0.336E-01 RMM: 2 -0.328175371076E+03 -0.41065E-01 -0.20601E-01 5220 0.950E-01 0.184E+00 RMM: 3 -0.328151221553E+03 0.24150E-01 -0.19932E-02 5429 0.315E-01 0.329E-01 RMM: 4 -0.328150436222E+03 0.78533E-03 -0.21049E-03 5076 0.910E-02 0.118E-01 RMM: 5 -0.328150373130E+03 0.63092E-04 -0.23808E-04 4193 0.333E-02 0.107E-01 RMM: 6 -0.328150316236E+03 0.56894E-04 -0.39640E-05 2953 0.186E-02 0.745E-02 RMM: 7 -0.328150345794E+03 -0.29558E-04 -0.64425E-05 3452 0.220E-02 0.104E-01 RMM: 8 -0.328150285866E+03 0.59928E-04 -0.15579E-04 3918 0.244E-02 0.601E-02 RMM: 9 -0.328150263398E+03 0.22468E-04 -0.28555E-05 2714 0.154E-02 0.239E-02 RMM: 10 -0.328150268181E+03 -0.47827E-05 -0.10025E-05 2467 0.106E-02 7931 T= 6095. E= 0.67569534E+03 F= 0.62811872E+03 E0= 0.65644300E+03 EK= 0.49637E+02 SP= -.21E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328538951142E+03 -0.38869E+00 -0.20104E-01 8944 0.233E+01 0.385E-01 RMM: 2 -0.328581791721E+03 -0.42841E-01 -0.20391E-01 5154 0.988E-01 0.194E+00 RMM: 3 -0.328555555064E+03 0.26237E-01 -0.21456E-02 5477 0.328E-01 0.396E-01 RMM: 4 -0.328554410292E+03 0.11448E-02 -0.25878E-03 5095 0.109E-01 0.135E-01 RMM: 5 -0.328554419520E+03 -0.92280E-05 -0.35530E-04 3961 0.415E-02 0.154E-01 RMM: 6 -0.328554262965E+03 0.15655E-03 -0.87007E-05 3645 0.261E-02 0.509E-02 RMM: 7 -0.328554272069E+03 -0.91041E-05 -0.37212E-05 2937 0.173E-02 7932 T= 6165. E= 0.67569199E+03 F= 0.62771472E+03 E0= 0.65600167E+03 EK= 0.50202E+02 SP= -.23E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329070352348E+03 -0.51609E+00 -0.18269E-01 8776 0.236E+01 0.233E-01 RMM: 2 -0.329095552964E+03 -0.25201E-01 -0.19104E-01 5390 0.932E-01 0.108E+00 RMM: 3 -0.329086349260E+03 0.92037E-02 -0.15665E-02 5819 0.252E-01 0.181E-01 RMM: 4 -0.329086024711E+03 0.32455E-03 -0.11093E-03 5386 0.630E-02 0.106E-01 RMM: 5 -0.329085952554E+03 0.72157E-04 -0.10202E-04 3776 0.268E-02 0.876E-02 RMM: 6 -0.329085931466E+03 0.21088E-04 -0.34243E-05 2833 0.175E-02 0.753E-02 RMM: 7 -0.329085946165E+03 -0.14699E-04 -0.11864E-04 3912 0.260E-02 7933 T= 6252. E= 0.67568865E+03 F= 0.62718304E+03 E0= 0.65543696E+03 EK= 0.50910E+02 SP= -.25E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329698837199E+03 -0.61291E+00 -0.17017E-01 8656 0.238E+01 0.257E-01 RMM: 2 -0.329726063034E+03 -0.27226E-01 -0.19574E-01 5127 0.970E-01 0.118E+00 RMM: 3 -0.329715469693E+03 0.10593E-01 -0.18004E-02 5822 0.269E-01 0.248E-01 RMM: 4 -0.329714882486E+03 0.58721E-03 -0.12927E-03 4862 0.790E-02 0.122E-01 RMM: 5 -0.329714810747E+03 0.71739E-04 -0.18787E-04 3916 0.333E-02 0.969E-02 RMM: 6 -0.329714755827E+03 0.54920E-04 -0.43917E-05 3098 0.197E-02 0.537E-02 RMM: 7 -0.329714758225E+03 -0.23978E-05 -0.26839E-05 2592 0.155E-02 7934 T= 6352. E= 0.67568608E+03 F= 0.62655423E+03 E0= 0.65478181E+03 EK= 0.51727E+02 SP= -.27E+01 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330403029508E+03 -0.68827E+00 -0.16087E-01 8440 0.240E+01 0.225E-01 RMM: 2 -0.330427207918E+03 -0.24178E-01 -0.19169E-01 5125 0.973E-01 0.988E-01 RMM: 3 -0.330419587233E+03 0.76207E-02 -0.18276E-02 5902 0.266E-01 0.174E-01 RMM: 4 -0.330419211471E+03 0.37576E-03 -0.10426E-03 5256 0.661E-02 0.113E-01 RMM: 5 -0.330419127991E+03 0.83480E-04 -0.12524E-04 4061 0.288E-02 0.850E-02 RMM: 6 -0.330419105355E+03 0.22636E-04 -0.34170E-05 2795 0.175E-02 0.718E-02 RMM: 7 -0.330419102904E+03 0.24515E-05 -0.92880E-05 3890 0.233E-02 7935 T= 6463. E= 0.67568417E+03 F= 0.62584989E+03 E0= 0.65405790E+03 EK= 0.52629E+02 SP= -.29E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331162499275E+03 -0.74339E+00 -0.15466E-01 8344 0.241E+01 0.244E-01 RMM: 2 -0.331188793021E+03 -0.26294E-01 -0.19524E-01 4987 0.990E-01 0.113E+00 RMM: 3 -0.331179320031E+03 0.94730E-02 -0.19664E-02 5916 0.273E-01 0.222E-01 RMM: 4 -0.331178774596E+03 0.54544E-03 -0.11626E-03 4873 0.766E-02 0.127E-01 RMM: 5 -0.331178703020E+03 0.71575E-04 -0.18051E-04 3933 0.339E-02 0.975E-02 RMM: 6 -0.331178651421E+03 0.51600E-04 -0.47001E-05 3134 0.203E-02 0.564E-02 RMM: 7 -0.331178660800E+03 -0.93793E-05 -0.32112E-05 2676 0.169E-02 7936 T= 6581. E= 0.67568127E+03 F= 0.62509033E+03 E0= 0.65328700E+03 EK= 0.53591E+02 SP= -.31E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331948236064E+03 -0.76958E+00 -0.14767E-01 8512 0.243E+01 0.214E-01 RMM: 2 -0.331969124761E+03 -0.20889E-01 -0.17143E-01 5058 0.922E-01 0.883E-01 RMM: 3 -0.331962646843E+03 0.64779E-02 -0.15901E-02 5949 0.255E-01 0.159E-01 RMM: 4 -0.331962371006E+03 0.27584E-03 -0.86165E-04 4953 0.636E-02 0.124E-01 RMM: 5 -0.331962270175E+03 0.10083E-03 -0.12357E-04 3859 0.306E-02 0.764E-02 RMM: 6 -0.331962249517E+03 0.20657E-04 -0.33661E-05 2752 0.172E-02 0.626E-02 RMM: 7 -0.331962244639E+03 0.48782E-05 -0.56912E-05 3301 0.209E-02 7937 T= 6702. E= 0.67567740E+03 F= 0.62430674E+03 E0= 0.65249980E+03 EK= 0.54576E+02 SP= -.33E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332712604872E+03 -0.75036E+00 -0.15591E-01 8472 0.244E+01 0.207E-01 RMM: 2 -0.332735500427E+03 -0.22896E-01 -0.17928E-01 4953 0.936E-01 0.950E-01 RMM: 3 -0.332727761325E+03 0.77391E-02 -0.16341E-02 5853 0.262E-01 0.184E-01 RMM: 4 -0.332727456872E+03 0.30445E-03 -0.94744E-04 4796 0.703E-02 0.133E-01 RMM: 5 -0.332727350081E+03 0.10679E-03 -0.15071E-04 3896 0.337E-02 0.833E-02 RMM: 6 -0.332727317682E+03 0.32399E-04 -0.43536E-05 3062 0.194E-02 0.588E-02 RMM: 7 -0.332727321000E+03 -0.33180E-05 -0.42486E-05 2816 0.196E-02 7938 T= 6820. E= 0.67567280E+03 F= 0.62354167E+03 E0= 0.65173930E+03 EK= 0.55537E+02 SP= -.35E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333411700147E+03 -0.68438E+00 -0.16048E-01 8776 0.245E+01 0.216E-01 RMM: 2 -0.333433023126E+03 -0.21323E-01 -0.17511E-01 5151 0.901E-01 0.879E-01 RMM: 3 -0.333425955681E+03 0.70674E-02 -0.14867E-02 5888 0.254E-01 0.171E-01 RMM: 4 -0.333425759662E+03 0.19602E-03 -0.92957E-04 4861 0.646E-02 0.133E-01 RMM: 5 -0.333425639101E+03 0.12056E-03 -0.13346E-04 3840 0.313E-02 0.777E-02 RMM: 6 -0.333425617209E+03 0.21893E-04 -0.37665E-05 2925 0.182E-02 0.629E-02 RMM: 7 -0.333425609146E+03 0.80629E-05 -0.53397E-05 3104 0.201E-02 7939 T= 6929. E= 0.67566890E+03 F= 0.62284338E+03 E0= 0.65105266E+03 EK= 0.56423E+02 SP= -.37E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333997640827E+03 -0.57202E+00 -0.16711E-01 8744 0.246E+01 0.186E-01 RMM: 2 -0.334020501190E+03 -0.22860E-01 -0.19904E-01 5208 0.927E-01 0.769E-01 RMM: 3 -0.334013969380E+03 0.65318E-02 -0.14893E-02 5855 0.252E-01 0.163E-01 RMM: 4 -0.334013787970E+03 0.18141E-03 -0.91434E-04 4815 0.673E-02 0.146E-01 RMM: 5 -0.334013642898E+03 0.14507E-03 -0.14039E-04 3862 0.332E-02 0.776E-02 RMM: 6 -0.334013622966E+03 0.19932E-04 -0.37783E-05 2928 0.183E-02 7940 T= 7022. E= 0.67566621E+03 F= 0.62225537E+03 E0= 0.65048186E+03 EK= 0.57185E+02 SP= -.38E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334443688449E+03 -0.43005E+00 -0.18146E-01 8736 0.246E+01 0.275E-01 RMM: 2 -0.334480073616E+03 -0.36385E-01 -0.21482E-01 5307 0.944E-01 0.153E+00 RMM: 3 -0.334460734719E+03 0.19339E-01 -0.17897E-02 5427 0.297E-01 0.240E-01 RMM: 4 -0.334460337832E+03 0.39689E-03 -0.15872E-03 5055 0.785E-02 0.116E-01 RMM: 5 -0.334460237209E+03 0.10062E-03 -0.15237E-04 4105 0.322E-02 0.884E-02 RMM: 6 -0.334460215550E+03 0.21659E-04 -0.40859E-05 2939 0.189E-02 0.807E-02 RMM: 7 -0.334460240203E+03 -0.24653E-04 -0.94748E-05 3856 0.245E-02 0.112E-01 RMM: 8 -0.334460154931E+03 0.85272E-04 -0.10300E-04 3892 0.230E-02 0.401E-02 RMM: 9 -0.334460155014E+03 -0.82327E-07 -0.24983E-05 2637 0.142E-02 7941 T= 7096. E= 0.67566507E+03 F= 0.62180883E+03 E0= 0.65005787E+03 EK= 0.57788E+02 SP= -.40E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334735424131E+03 -0.27527E+00 -0.19405E-01 8776 0.246E+01 0.291E-01 RMM: 2 -0.334769576224E+03 -0.34152E-01 -0.23418E-01 5282 0.972E-01 0.134E+00 RMM: 3 -0.334753814655E+03 0.15762E-01 -0.17938E-02 5466 0.291E-01 0.211E-01 RMM: 4 -0.334753754120E+03 0.60535E-04 -0.18919E-03 5179 0.969E-02 0.233E-01 RMM: 5 -0.334753435251E+03 0.31887E-03 -0.32687E-04 3960 0.463E-02 0.114E-01 RMM: 6 -0.334753348124E+03 0.87127E-04 -0.69177E-05 3465 0.237E-02 0.416E-02 RMM: 7 -0.334753356075E+03 -0.79513E-05 -0.31859E-05 2733 0.162E-02 7942 T= 7149. E= 0.67566494E+03 F= 0.62151563E+03 E0= 0.64978750E+03 EK= 0.58214E+02 SP= -.41E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334879809080E+03 -0.12646E+00 -0.21428E-01 8768 0.247E+01 0.200E-01 RMM: 2 -0.334908290984E+03 -0.28482E-01 -0.25055E-01 5698 0.999E-01 0.822E-01 RMM: 3 -0.334900692098E+03 0.75989E-02 -0.16470E-02 5778 0.257E-01 0.190E-01 RMM: 4 -0.334900351185E+03 0.34091E-03 -0.10334E-03 4885 0.673E-02 0.120E-01 RMM: 5 -0.334900250572E+03 0.10061E-03 -0.12336E-04 3874 0.295E-02 0.823E-02 RMM: 6 -0.334900234678E+03 0.15894E-04 -0.33764E-05 2807 0.171E-02 7943 T= 7180. E= 0.67566573E+03 F= 0.62136875E+03 E0= 0.64966259E+03 EK= 0.58469E+02 SP= -.42E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334899754358E+03 0.49621E-03 -0.23555E-01 8896 0.247E+01 0.353E-01 RMM: 2 -0.334947311079E+03 -0.47557E-01 -0.27252E-01 5301 0.105E+00 0.179E+00 RMM: 3 -0.334921377480E+03 0.25934E-01 -0.23867E-02 5432 0.343E-01 0.288E-01 RMM: 4 -0.334920782224E+03 0.59526E-03 -0.23132E-03 5211 0.915E-02 0.132E-01 RMM: 5 -0.334920696105E+03 0.86119E-04 -0.21616E-04 4002 0.369E-02 0.109E-01 RMM: 6 -0.334920630733E+03 0.65371E-04 -0.50938E-05 3157 0.206E-02 0.633E-02 RMM: 7 -0.334920648836E+03 -0.18102E-04 -0.47980E-05 3159 0.200E-02 7944 T= 7192. E= 0.67566702E+03 F= 0.62134834E+03 E0= 0.64966071E+03 EK= 0.58569E+02 SP= -.43E+01 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334819756451E+03 0.10087E+00 -0.26031E-01 8992 0.247E+01 0.372E-01 RMM: 2 -0.334867631217E+03 -0.47875E-01 -0.30200E-01 5112 0.113E+00 0.172E+00 RMM: 3 -0.334844098964E+03 0.23532E-01 -0.26880E-02 5512 0.356E-01 0.387E-01 RMM: 4 -0.334842972584E+03 0.11264E-02 -0.26973E-03 5339 0.109E-01 0.146E-01 RMM: 5 -0.334842991501E+03 -0.18918E-04 -0.39178E-04 3950 0.464E-02 0.166E-01 RMM: 6 -0.334842810333E+03 0.18117E-03 -0.12638E-04 3861 0.310E-02 0.468E-02 RMM: 7 -0.334842822017E+03 -0.11684E-04 -0.28187E-05 2727 0.147E-02 7945 T= 7189. E= 0.67566805E+03 F= 0.62142617E+03 E0= 0.64975082E+03 EK= 0.58542E+02 SP= -.43E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334673750761E+03 0.16906E+00 -0.28564E-01 8992 0.247E+01 0.322E-01 RMM: 2 -0.334718607558E+03 -0.44857E-01 -0.30534E-01 5212 0.113E+00 0.154E+00 RMM: 3 -0.334698993899E+03 0.19614E-01 -0.24939E-02 5662 0.330E-01 0.256E-01 RMM: 4 -0.334698406143E+03 0.58776E-03 -0.19513E-03 5144 0.879E-02 0.143E-01 RMM: 5 -0.334698312313E+03 0.93830E-04 -0.23843E-04 3945 0.391E-02 0.111E-01 RMM: 6 -0.334698238557E+03 0.73756E-04 -0.72726E-05 3462 0.236E-02 0.590E-02 RMM: 7 -0.334698272682E+03 -0.34125E-04 -0.59179E-05 3310 0.209E-02 0.102E-01 RMM: 8 -0.334698210580E+03 0.62103E-04 -0.88621E-05 3881 0.230E-02 0.379E-02 RMM: 9 -0.334698204506E+03 0.60734E-05 -0.17354E-05 2530 0.120E-02 7946 T= 7174. E= 0.67566878E+03 F= 0.62157078E+03 E0= 0.64990183E+03 EK= 0.58418E+02 SP= -.43E+01 SK= 0.57E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.334486925081E+03 0.21129E+00 -0.30125E-01 8944 0.248E+01 0.238E-01 RMM: 2 -0.334522368459E+03 -0.35443E-01 -0.31439E-01 5181 0.116E+00 0.913E-01 RMM: 3 -0.334513944083E+03 0.84244E-02 -0.24821E-02 6026 0.297E-01 0.216E-01 RMM: 4 -0.334513374468E+03 0.56962E-03 -0.13478E-03 4941 0.837E-02 0.167E-01 RMM: 5 -0.334513216260E+03 0.15821E-03 -0.22760E-04 3923 0.372E-02 0.102E-01 RMM: 6 -0.334513152384E+03 0.63876E-04 -0.63705E-05 3350 0.230E-02 0.456E-02 RMM: 7 -0.334513158226E+03 -0.58420E-05 -0.30601E-05 2622 0.165E-02 7947 T= 7150. E= 0.67566893E+03 F= 0.62175583E+03 E0= 0.65008706E+03 EK= 0.58225E+02 SP= -.43E+01 SK= 0.80E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334277310414E+03 0.23584E+00 -0.30492E-01 8976 0.248E+01 0.222E-01 RMM: 2 -0.334310822532E+03 -0.33512E-01 -0.29650E-01 5260 0.113E+00 0.887E-01 RMM: 3 -0.334303004868E+03 0.78177E-02 -0.23045E-02 6170 0.285E-01 0.189E-01 RMM: 4 -0.334302436475E+03 0.56839E-03 -0.10772E-03 5112 0.721E-02 0.119E-01 RMM: 5 -0.334302354746E+03 0.81729E-04 -0.15075E-04 4124 0.311E-02 0.855E-02 RMM: 6 -0.334302329547E+03 0.25199E-04 -0.37243E-05 2919 0.179E-02 0.679E-02 RMM: 7 -0.334302351484E+03 -0.21937E-04 -0.87748E-05 3803 0.234E-02 0.993E-02 RMM: 8 -0.334302288741E+03 0.62743E-04 -0.58580E-05 3314 0.204E-02 0.316E-02 RMM: 9 -0.334302288970E+03 -0.22886E-06 -0.17918E-05 2503 0.122E-02 7948 T= 7120. E= 0.67566807E+03 F= 0.62196670E+03 E0= 0.65029442E+03 EK= 0.57978E+02 SP= -.43E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334041987771E+03 0.26030E+00 -0.31221E-01 9008 0.249E+01 0.237E-01 RMM: 2 -0.334077318126E+03 -0.35330E-01 -0.31275E-01 5106 0.119E+00 0.925E-01 RMM: 3 -0.334069366710E+03 0.79514E-02 -0.26413E-02 6291 0.294E-01 0.201E-01 RMM: 4 -0.334068760362E+03 0.60635E-03 -0.13255E-03 4958 0.862E-02 0.176E-01 RMM: 5 -0.334068585147E+03 0.17522E-03 -0.22915E-04 3944 0.367E-02 0.103E-01 RMM: 6 -0.334068523346E+03 0.61801E-04 -0.61090E-05 3345 0.227E-02 0.456E-02 RMM: 7 -0.334068529201E+03 -0.58552E-05 -0.25047E-05 2570 0.150E-02 7949 T= 7083. E= 0.67566719E+03 F= 0.62220046E+03 E0= 0.65052348E+03 EK= 0.57682E+02 SP= -.42E+01 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333785414026E+03 0.28311E+00 -0.30434E-01 8952 0.249E+01 0.192E-01 RMM: 2 -0.333817631600E+03 -0.32218E-01 -0.29844E-01 5122 0.120E+00 0.741E-01 RMM: 3 -0.333811973774E+03 0.56578E-02 -0.25253E-02 6298 0.289E-01 0.158E-01 RMM: 4 -0.333811405631E+03 0.56814E-03 -0.10110E-03 5065 0.731E-02 0.121E-01 RMM: 5 -0.333811310417E+03 0.95213E-04 -0.13917E-04 4136 0.310E-02 0.724E-02 RMM: 6 -0.333811307868E+03 0.25493E-05 -0.34606E-05 2721 0.176E-02 7950 T= 7041. E= 0.67566650E+03 F= 0.62245768E+03 E0= 0.65077754E+03 EK= 0.57339E+02 SP= -.41E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333512458139E+03 0.29885E+00 -0.26089E-01 8920 0.250E+01 0.314E-01 RMM: 2 -0.333553945598E+03 -0.41487E-01 -0.26135E-01 5126 0.110E+00 0.160E+00 RMM: 3 -0.333534654688E+03 0.19291E-01 -0.24066E-02 5562 0.332E-01 0.292E-01 RMM: 4 -0.333533968287E+03 0.68640E-03 -0.21039E-03 5306 0.897E-02 0.111E-01 RMM: 5 -0.333533915011E+03 0.53276E-04 -0.23577E-04 4309 0.342E-02 0.106E-01 RMM: 6 -0.333533853342E+03 0.61669E-04 -0.42979E-05 3025 0.192E-02 0.610E-02 RMM: 7 -0.333533867413E+03 -0.14071E-04 -0.38076E-05 2950 0.185E-02 7951 T= 6994. E= 0.67566721E+03 F= 0.62273512E+03 E0= 0.65105634E+03 EK= 0.56955E+02 SP= -.40E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333233119323E+03 0.30073E+00 -0.23535E-01 8752 0.249E+01 0.335E-01 RMM: 2 -0.333278361586E+03 -0.45242E-01 -0.25182E-01 4972 0.113E+00 0.184E+00 RMM: 3 -0.333254534562E+03 0.23827E-01 -0.24983E-02 5574 0.342E-01 0.351E-01 RMM: 4 -0.333253532767E+03 0.10018E-02 -0.23909E-03 5257 0.103E-01 0.118E-01 RMM: 5 -0.333253548554E+03 -0.15788E-04 -0.30862E-04 3966 0.383E-02 0.131E-01 RMM: 6 -0.333253435208E+03 0.11335E-03 -0.72860E-05 3488 0.233E-02 0.477E-02 RMM: 7 -0.333253445013E+03 -0.98056E-05 -0.27930E-05 2692 0.152E-02 7952 T= 6944. E= 0.67566899E+03 F= 0.62301554E+03 E0= 0.65134382E+03 EK= 0.56550E+02 SP= -.39E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332982838940E+03 0.27060E+00 -0.19569E-01 8896 0.248E+01 0.292E-01 RMM: 2 -0.333014459045E+03 -0.31620E-01 -0.18526E-01 5239 0.948E-01 0.148E+00 RMM: 3 -0.332998136269E+03 0.16323E-01 -0.17044E-02 5506 0.289E-01 0.256E-01 RMM: 4 -0.332997669636E+03 0.46663E-03 -0.15619E-03 5019 0.782E-02 0.108E-01 RMM: 5 -0.332997617863E+03 0.51773E-04 -0.18112E-04 3990 0.334E-02 0.994E-02 RMM: 6 -0.332997563607E+03 0.54257E-04 -0.43119E-05 3046 0.194E-02 0.535E-02 RMM: 7 -0.332997575672E+03 -0.12066E-04 -0.26312E-05 2586 0.156E-02 7953 T= 6895. E= 0.67567145E+03 F= 0.62327141E+03 E0= 0.65161219E+03 EK= 0.56152E+02 SP= -.38E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332784302789E+03 0.21326E+00 -0.16421E-01 8920 0.247E+01 0.221E-01 RMM: 2 -0.332805545489E+03 -0.21243E-01 -0.16555E-01 5224 0.910E-01 0.961E-01 RMM: 3 -0.332798552636E+03 0.69929E-02 -0.14939E-02 5719 0.252E-01 0.225E-01 RMM: 4 -0.332798115346E+03 0.43729E-03 -0.10257E-03 4990 0.675E-02 0.101E-01 RMM: 5 -0.332798071217E+03 0.44129E-04 -0.13579E-04 3886 0.308E-02 0.793E-02 RMM: 6 -0.332798036923E+03 0.34294E-04 -0.31858E-05 2839 0.168E-02 0.501E-02 RMM: 7 -0.332798045268E+03 -0.83457E-05 -0.34349E-05 2684 0.183E-02 7954 T= 6852. E= 0.67567317E+03 F= 0.62347094E+03 E0= 0.65182999E+03 EK= 0.55796E+02 SP= -.36E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332664192619E+03 0.13384E+00 -0.15215E-01 8480 0.246E+01 0.201E-01 RMM: 2 -0.332684219186E+03 -0.20027E-01 -0.16497E-01 5090 0.920E-01 0.848E-01 RMM: 3 -0.332678444762E+03 0.57744E-02 -0.15800E-02 5900 0.244E-01 0.138E-01 RMM: 4 -0.332678208050E+03 0.23671E-03 -0.83540E-04 4868 0.639E-02 0.139E-01 RMM: 5 -0.332678091241E+03 0.11681E-03 -0.11839E-04 3805 0.294E-02 0.757E-02 RMM: 6 -0.332678061829E+03 0.29412E-04 -0.32142E-05 2819 0.171E-02 0.471E-02 RMM: 7 -0.332678058938E+03 0.28908E-05 -0.42457E-05 2732 0.187E-02 7955 T= 6816. E= 0.67567379E+03 F= 0.62359093E+03 E0= 0.65197110E+03 EK= 0.55504E+02 SP= -.35E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332634074915E+03 0.43987E-01 -0.13990E-01 8184 0.245E+01 0.177E-01 RMM: 2 -0.332651002815E+03 -0.16928E-01 -0.14148E-01 5018 0.858E-01 0.768E-01 RMM: 3 -0.332646307305E+03 0.46955E-02 -0.13749E-02 5937 0.231E-01 0.168E-01 RMM: 4 -0.332645988702E+03 0.31860E-03 -0.69551E-04 4779 0.604E-02 0.102E-01 RMM: 5 -0.332645925625E+03 0.63077E-04 -0.10122E-04 3662 0.282E-02 0.703E-02 RMM: 6 -0.332645905638E+03 0.19987E-04 -0.26759E-05 2572 0.156E-02 7956 T= 6789. E= 0.67567360E+03 F= 0.62362308E+03 E0= 0.65202681E+03 EK= 0.55288E+02 SP= -.33E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332685352977E+03 -0.39427E-01 -0.13098E-01 8136 0.244E+01 0.206E-01 RMM: 2 -0.332705069067E+03 -0.19716E-01 -0.12678E-01 5146 0.795E-01 0.109E+00 RMM: 3 -0.332696006132E+03 0.90629E-02 -0.12168E-02 5538 0.235E-01 0.203E-01 RMM: 4 -0.332695699955E+03 0.30618E-03 -0.91486E-04 4873 0.616E-02 0.103E-01 RMM: 5 -0.332695636215E+03 0.63740E-04 -0.98686E-05 3797 0.274E-02 0.774E-02 RMM: 6 -0.332695617997E+03 0.18217E-04 -0.26025E-05 2564 0.149E-02 7957 T= 6771. E= 0.67567345E+03 F= 0.62357337E+03 E0= 0.65199981E+03 EK= 0.55143E+02 SP= -.31E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332808070016E+03 -0.11243E+00 -0.12659E-01 7920 0.243E+01 0.391E-01 RMM: 2 -0.332850560338E+03 -0.42490E-01 -0.13360E-01 4977 0.886E-01 0.215E+00 RMM: 3 -0.332818326836E+03 0.32234E-01 -0.20410E-02 5366 0.348E-01 0.405E-01 RMM: 4 -0.332817112034E+03 0.12148E-02 -0.24439E-03 5212 0.102E-01 0.101E-01 RMM: 5 -0.332817090898E+03 0.21136E-04 -0.25551E-04 3977 0.342E-02 0.110E-01 RMM: 6 -0.332817018268E+03 0.72630E-04 -0.43760E-05 3032 0.199E-02 0.587E-02 RMM: 7 -0.332817027087E+03 -0.88188E-05 -0.30381E-05 2666 0.160E-02 7958 T= 6761. E= 0.67567390E+03 F= 0.62345196E+03 E0= 0.65190013E+03 EK= 0.55059E+02 SP= -.29E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332997706059E+03 -0.18069E+00 -0.12725E-01 7848 0.243E+01 0.337E-01 RMM: 2 -0.333030312096E+03 -0.32606E-01 -0.12692E-01 4963 0.823E-01 0.178E+00 RMM: 3 -0.333007894002E+03 0.22418E-01 -0.17752E-02 5374 0.317E-01 0.378E-01 RMM: 4 -0.333006978292E+03 0.91571E-03 -0.21475E-03 5161 0.976E-02 0.131E-01 RMM: 5 -0.333006993150E+03 -0.14858E-04 -0.29852E-04 3922 0.410E-02 0.152E-01 RMM: 6 -0.333006837438E+03 0.15571E-03 -0.89477E-05 3654 0.275E-02 0.453E-02 RMM: 7 -0.333006837148E+03 0.28993E-06 -0.22019E-05 2564 0.138E-02 7959 T= 6758. E= 0.67567487E+03 F= 0.62326215E+03 E0= 0.65172916E+03 EK= 0.55035E+02 SP= -.27E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333258304328E+03 -0.25147E+00 -0.13233E-01 7920 0.243E+01 0.257E-01 RMM: 2 -0.333282898321E+03 -0.24594E-01 -0.13527E-01 4928 0.845E-01 0.137E+00 RMM: 3 -0.333269751571E+03 0.13147E-01 -0.15507E-02 5507 0.271E-01 0.266E-01 RMM: 4 -0.333269200364E+03 0.55121E-03 -0.13262E-03 4816 0.761E-02 0.101E-01 RMM: 5 -0.333269151187E+03 0.49177E-04 -0.16696E-04 3922 0.333E-02 0.864E-02 RMM: 6 -0.333269106045E+03 0.45141E-04 -0.36724E-05 2898 0.182E-02 0.515E-02 RMM: 7 -0.333269109432E+03 -0.33872E-05 -0.27285E-05 2591 0.158E-02 7960 T= 6763. E= 0.67567550E+03 F= 0.62299988E+03 E0= 0.65148034E+03 EK= 0.55072E+02 SP= -.25E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333595874446E+03 -0.32677E+00 -0.13494E-01 8016 0.243E+01 0.203E-01 RMM: 2 -0.333614199645E+03 -0.18325E-01 -0.13310E-01 4923 0.844E-01 0.956E-01 RMM: 3 -0.333607338481E+03 0.68612E-02 -0.14298E-02 5798 0.241E-01 0.177E-01 RMM: 4 -0.333607001334E+03 0.33715E-03 -0.83051E-04 4888 0.630E-02 0.983E-02 RMM: 5 -0.333606949900E+03 0.51434E-04 -0.11473E-04 3766 0.297E-02 0.726E-02 RMM: 6 -0.333606922253E+03 0.27647E-04 -0.29326E-05 2687 0.163E-02 0.460E-02 RMM: 7 -0.333606926264E+03 -0.40111E-05 -0.24732E-05 2574 0.151E-02 7961 T= 6775. E= 0.67567532E+03 F= 0.62266206E+03 E0= 0.65115230E+03 EK= 0.55173E+02 SP= -.23E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334003507760E+03 -0.39659E+00 -0.13381E-01 7984 0.243E+01 0.186E-01 RMM: 2 -0.334021473674E+03 -0.17966E-01 -0.14832E-01 4813 0.884E-01 0.803E-01 RMM: 3 -0.334016498330E+03 0.49753E-02 -0.16154E-02 5965 0.242E-01 0.171E-01 RMM: 4 -0.334016087170E+03 0.41116E-03 -0.78628E-04 4808 0.647E-02 0.107E-01 RMM: 5 -0.334016023842E+03 0.63328E-04 -0.12080E-04 3797 0.305E-02 0.764E-02 RMM: 6 -0.334015990483E+03 0.33360E-04 -0.31207E-05 2739 0.168E-02 0.428E-02 RMM: 7 -0.334015988812E+03 0.16703E-05 -0.20877E-05 2530 0.141E-02 7962 T= 6795. E= 0.67567405E+03 F= 0.62225300E+03 E0= 0.65074705E+03 EK= 0.55332E+02 SP= -.20E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334469669667E+03 -0.45368E+00 -0.13185E-01 8240 0.244E+01 0.195E-01 RMM: 2 -0.334487609168E+03 -0.17940E-01 -0.13192E-01 4942 0.826E-01 0.934E-01 RMM: 3 -0.334480887461E+03 0.67217E-02 -0.13744E-02 5852 0.232E-01 0.192E-01 RMM: 4 -0.334480491787E+03 0.39567E-03 -0.76758E-04 4872 0.607E-02 0.839E-02 RMM: 5 -0.334480455643E+03 0.36143E-04 -0.10862E-04 3720 0.282E-02 0.783E-02 RMM: 6 -0.334480423797E+03 0.31846E-04 -0.29924E-05 2719 0.165E-02 0.484E-02 RMM: 7 -0.334480425002E+03 -0.12054E-05 -0.30875E-05 2637 0.161E-02 7963 T= 6819. E= 0.67567196E+03 F= 0.62178856E+03 E0= 0.65028073E+03 EK= 0.55534E+02 SP= -.18E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334962966548E+03 -0.48254E+00 -0.13187E-01 8080 0.245E+01 0.188E-01 RMM: 2 -0.334980244876E+03 -0.17278E-01 -0.13560E-01 4981 0.835E-01 0.860E-01 RMM: 3 -0.334974491998E+03 0.57529E-02 -0.13745E-02 5971 0.226E-01 0.177E-01 RMM: 4 -0.334974125411E+03 0.36659E-03 -0.74278E-04 4720 0.623E-02 0.998E-02 RMM: 5 -0.334974071588E+03 0.53823E-04 -0.11306E-04 3705 0.284E-02 0.766E-02 RMM: 6 -0.334974040037E+03 0.31551E-04 -0.28914E-05 2688 0.165E-02 0.418E-02 RMM: 7 -0.334974039787E+03 0.24982E-06 -0.17045E-05 2505 0.127E-02 7964 T= 6846. E= 0.67566928E+03 F= 0.62129495E+03 E0= 0.64977927E+03 EK= 0.55750E+02 SP= -.15E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335454177028E+03 -0.48014E+00 -0.13062E-01 8264 0.245E+01 0.196E-01 RMM: 2 -0.335471679696E+03 -0.17503E-01 -0.13482E-01 5068 0.824E-01 0.896E-01 RMM: 3 -0.335465397617E+03 0.62821E-02 -0.13032E-02 5916 0.223E-01 0.182E-01 RMM: 4 -0.335465034398E+03 0.36322E-03 -0.71913E-04 4858 0.588E-02 0.921E-02 RMM: 5 -0.335464990126E+03 0.44272E-04 -0.10561E-04 3687 0.275E-02 0.844E-02 RMM: 6 -0.335464951760E+03 0.38366E-04 -0.31724E-05 2828 0.170E-02 0.506E-02 RMM: 7 -0.335464947227E+03 0.45326E-05 -0.31782E-05 2626 0.164E-02 7965 T= 6871. E= 0.67566716E+03 F= 0.62080404E+03 E0= 0.64927511E+03 EK= 0.55950E+02 SP= -.12E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335917012264E+03 -0.45206E+00 -0.12903E-01 8120 0.246E+01 0.206E-01 RMM: 2 -0.335935470961E+03 -0.18459E-01 -0.13675E-01 5042 0.839E-01 0.971E-01 RMM: 3 -0.335928483402E+03 0.69876E-02 -0.13692E-02 5953 0.228E-01 0.203E-01 RMM: 4 -0.335928056384E+03 0.42702E-03 -0.80419E-04 4737 0.644E-02 0.978E-02 RMM: 5 -0.335928015070E+03 0.41314E-04 -0.12379E-04 3760 0.286E-02 0.882E-02 RMM: 6 -0.335927972796E+03 0.42274E-04 -0.32036E-05 2905 0.172E-02 0.459E-02 RMM: 7 -0.335927972710E+03 0.86426E-07 -0.18741E-05 2510 0.132E-02 7966 T= 6890. E= 0.67566521E+03 F= 0.62034102E+03 E0= 0.64879388E+03 EK= 0.56105E+02 SP= -.96E+00 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336333916006E+03 -0.40594E+00 -0.12875E-01 8048 0.245E+01 0.208E-01 RMM: 2 -0.336351707901E+03 -0.17792E-01 -0.13557E-01 5154 0.826E-01 0.930E-01 RMM: 3 -0.336345136460E+03 0.65714E-02 -0.12768E-02 5884 0.224E-01 0.167E-01 RMM: 4 -0.336344878970E+03 0.25749E-03 -0.75206E-04 4808 0.593E-02 0.118E-01 RMM: 5 -0.336344796067E+03 0.82902E-04 -0.10857E-04 3704 0.271E-02 0.818E-02 RMM: 6 -0.336344761213E+03 0.34854E-04 -0.32557E-05 2873 0.171E-02 0.496E-02 RMM: 7 -0.336344756466E+03 0.47472E-05 -0.36300E-05 2669 0.172E-02 7967 T= 6901. E= 0.67566393E+03 F= 0.61992423E+03 E0= 0.64835551E+03 EK= 0.56199E+02 SP= -.65E+00 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336690473429E+03 -0.34571E+00 -0.12887E-01 7784 0.244E+01 0.192E-01 RMM: 2 -0.336707634859E+03 -0.17161E-01 -0.13861E-01 5073 0.843E-01 0.840E-01 RMM: 3 -0.336702277597E+03 0.53573E-02 -0.13580E-02 6042 0.218E-01 0.166E-01 RMM: 4 -0.336701961610E+03 0.31599E-03 -0.69310E-04 4688 0.616E-02 0.128E-01 RMM: 5 -0.336701859871E+03 0.10174E-03 -0.12032E-04 3730 0.292E-02 0.780E-02 RMM: 6 -0.336701828061E+03 0.31810E-04 -0.31882E-05 2889 0.170E-02 0.463E-02 RMM: 7 -0.336701828152E+03 -0.91628E-07 -0.27836E-05 2574 0.158E-02 7968 T= 6903. E= 0.67566260E+03 F= 0.61956716E+03 E0= 0.64797563E+03 EK= 0.56216E+02 SP= -.33E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336974654632E+03 -0.27283E+00 -0.12825E-01 7896 0.243E+01 0.221E-01 RMM: 2 -0.336993040483E+03 -0.18386E-01 -0.13685E-01 5155 0.841E-01 0.968E-01 RMM: 3 -0.336986095216E+03 0.69453E-02 -0.13370E-02 5888 0.226E-01 0.180E-01 RMM: 4 -0.336985774823E+03 0.32039E-03 -0.82179E-04 4770 0.633E-02 0.118E-01 RMM: 5 -0.336985690524E+03 0.84299E-04 -0.12146E-04 3835 0.273E-02 0.815E-02 RMM: 6 -0.336985655632E+03 0.34893E-04 -0.29951E-05 2758 0.167E-02 0.441E-02 RMM: 7 -0.336985658070E+03 -0.24387E-05 -0.25347E-05 2562 0.148E-02 7969 T= 6894. E= 0.67566127E+03 F= 0.61928333E+03 E0= 0.64766993E+03 EK= 0.56144E+02 SP= -.57E-03 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337168005808E+03 -0.18235E+00 -0.12449E-01 7880 0.241E+01 0.194E-01 RMM: 2 -0.337183898238E+03 -0.15892E-01 -0.12710E-01 5324 0.799E-01 0.830E-01 RMM: 3 -0.337178644436E+03 0.52538E-02 -0.10836E-02 5995 0.198E-01 0.158E-01 RMM: 4 -0.337178416879E+03 0.22756E-03 -0.64213E-04 4653 0.582E-02 0.133E-01 RMM: 5 -0.337178295115E+03 0.12176E-03 -0.11016E-04 3690 0.269E-02 0.699E-02 RMM: 6 -0.337178272449E+03 0.22667E-04 -0.26061E-05 2686 0.155E-02 0.458E-02 RMM: 7 -0.337178271848E+03 0.60082E-06 -0.29611E-05 2573 0.157E-02 7970 T= 6872. E= 0.67565973E+03 F= 0.61909072E+03 E0= 0.64745935E+03 EK= 0.55965E+02 SP= 0.35E+00 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337244188517E+03 -0.65916E-01 -0.12582E-01 8024 0.239E+01 0.203E-01 RMM: 2 -0.337260495215E+03 -0.16307E-01 -0.13367E-01 5277 0.830E-01 0.814E-01 RMM: 3 -0.337255513043E+03 0.49822E-02 -0.12234E-02 5987 0.212E-01 0.150E-01 RMM: 4 -0.337255297243E+03 0.21580E-03 -0.70422E-04 4707 0.600E-02 0.142E-01 RMM: 5 -0.337255167833E+03 0.12941E-03 -0.11731E-04 3771 0.280E-02 0.783E-02 RMM: 6 -0.337255136988E+03 0.30845E-04 -0.29039E-05 2732 0.165E-02 0.448E-02 RMM: 7 -0.337255134124E+03 0.28645E-05 -0.30759E-05 2583 0.161E-02 7971 T= 6835. E= 0.67565853E+03 F= 0.61901386E+03 E0= 0.64737125E+03 EK= 0.55657E+02 SP= 0.71E+00 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337180751964E+03 0.74385E-01 -0.12769E-01 8184 0.236E+01 0.205E-01 RMM: 2 -0.337197894253E+03 -0.17142E-01 -0.13724E-01 5382 0.838E-01 0.868E-01 RMM: 3 -0.337192258786E+03 0.56355E-02 -0.11329E-02 6101 0.205E-01 0.166E-01 RMM: 4 -0.337191985884E+03 0.27290E-03 -0.67006E-04 4667 0.604E-02 0.129E-01 RMM: 5 -0.337191877590E+03 0.10829E-03 -0.11104E-04 3733 0.278E-02 0.754E-02 RMM: 6 -0.337191853471E+03 0.24119E-04 -0.26424E-05 2620 0.157E-02 0.506E-02 RMM: 7 -0.337191852811E+03 0.66046E-06 -0.32619E-05 2616 0.165E-02 7972 T= 6778. E= 0.67565735E+03 F= 0.61907714E+03 E0= 0.64743221E+03 EK= 0.55198E+02 SP= 0.11E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336956406227E+03 0.23545E+00 -0.13480E-01 8528 0.234E+01 0.190E-01 RMM: 2 -0.336973230995E+03 -0.16825E-01 -0.14279E-01 5370 0.845E-01 0.760E-01 RMM: 3 -0.336968557188E+03 0.46738E-02 -0.11506E-02 5958 0.214E-01 0.156E-01 RMM: 4 -0.336968371924E+03 0.18526E-03 -0.66993E-04 4698 0.587E-02 0.138E-01 RMM: 5 -0.336968244620E+03 0.12730E-03 -0.11325E-04 3747 0.279E-02 0.764E-02 RMM: 6 -0.336968218675E+03 0.25946E-04 -0.28739E-05 2702 0.164E-02 0.505E-02 RMM: 7 -0.336968213174E+03 0.55011E-05 -0.40256E-05 2754 0.180E-02 7973 T= 6701. E= 0.67565687E+03 F= 0.61930078E+03 E0= 0.64766378E+03 EK= 0.54573E+02 SP= 0.15E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336563142449E+03 0.40508E+00 -0.14282E-01 8832 0.231E+01 0.187E-01 RMM: 2 -0.336580707913E+03 -0.17565E-01 -0.14951E-01 5300 0.861E-01 0.772E-01 RMM: 3 -0.336575830760E+03 0.48772E-02 -0.12348E-02 6204 0.218E-01 0.154E-01 RMM: 4 -0.336575588500E+03 0.24226E-03 -0.64306E-04 4679 0.605E-02 0.132E-01 RMM: 5 -0.336575474308E+03 0.11419E-03 -0.10789E-04 3707 0.288E-02 0.753E-02 RMM: 6 -0.336575454179E+03 0.20129E-04 -0.27741E-05 2632 0.161E-02 0.544E-02 RMM: 7 -0.336575454962E+03 -0.78365E-06 -0.37335E-05 2686 0.172E-02 7974 T= 6604. E= 0.67565815E+03 F= 0.61969353E+03 E0= 0.64807527E+03 EK= 0.53777E+02 SP= 0.19E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336009793741E+03 0.56566E+00 -0.15105E-01 8960 0.229E+01 0.170E-01 RMM: 2 -0.336026835389E+03 -0.17042E-01 -0.15375E-01 5320 0.854E-01 0.651E-01 RMM: 3 -0.336022769835E+03 0.40656E-02 -0.12199E-02 6006 0.231E-01 0.135E-01 RMM: 4 -0.336022644518E+03 0.12532E-03 -0.61647E-04 4750 0.559E-02 0.129E-01 RMM: 5 -0.336022529909E+03 0.11461E-03 -0.95037E-05 3651 0.286E-02 0.703E-02 RMM: 6 -0.336022513474E+03 0.16436E-04 -0.28103E-05 2601 0.160E-02 7975 T= 6487. E= 0.67566001E+03 F= 0.62024648E+03 E0= 0.64865606E+03 EK= 0.52825E+02 SP= 0.23E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335316488657E+03 0.70604E+00 -0.16089E-01 8696 0.226E+01 0.230E-01 RMM: 2 -0.335340632600E+03 -0.24144E-01 -0.17035E-01 5248 0.904E-01 0.111E+00 RMM: 3 -0.335330824846E+03 0.98078E-02 -0.15410E-02 5607 0.271E-01 0.206E-01 RMM: 4 -0.335330460305E+03 0.36454E-03 -0.10482E-03 4956 0.685E-02 0.102E-01 RMM: 5 -0.335330405828E+03 0.54477E-04 -0.12267E-04 4030 0.296E-02 0.817E-02 RMM: 6 -0.335330382718E+03 0.23110E-04 -0.29858E-05 2621 0.165E-02 0.669E-02 RMM: 7 -0.335330412533E+03 -0.29815E-04 -0.69658E-05 3525 0.223E-02 0.102E-01 RMM: 8 -0.335330345075E+03 0.67459E-04 -0.92243E-05 3879 0.204E-02 0.390E-02 RMM: 9 -0.335330339282E+03 0.57921E-05 -0.16249E-05 2525 0.114E-02 7976 T= 6354. E= 0.67566247E+03 F= 0.62093865E+03 E0= 0.64938257E+03 EK= 0.51742E+02 SP= 0.27E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334515786900E+03 0.81456E+00 -0.17047E-01 8672 0.224E+01 0.251E-01 RMM: 2 -0.334540871886E+03 -0.25085E-01 -0.16978E-01 5379 0.884E-01 0.117E+00 RMM: 3 -0.334529570007E+03 0.11302E-01 -0.14273E-02 5431 0.272E-01 0.203E-01 RMM: 4 -0.334529421977E+03 0.14803E-03 -0.13468E-03 5063 0.827E-02 0.177E-01 RMM: 5 -0.334529271866E+03 0.15011E-03 -0.20442E-04 3934 0.356E-02 0.117E-01 RMM: 6 -0.334529182795E+03 0.89071E-04 -0.57957E-05 3307 0.227E-02 0.374E-02 RMM: 7 -0.334529193385E+03 -0.10591E-04 -0.27311E-05 2618 0.154E-02 7977 T= 6209. E= 0.67566484E+03 F= 0.62173980E+03 E0= 0.65021960E+03 EK= 0.50563E+02 SP= 0.31E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333638078803E+03 0.89110E+00 -0.18131E-01 8616 0.223E+01 0.176E-01 RMM: 2 -0.333657092184E+03 -0.19013E-01 -0.15719E-01 6214 0.847E-01 0.779E-01 RMM: 3 -0.333651810284E+03 0.52819E-02 -0.10350E-02 5480 0.232E-01 0.165E-01 RMM: 4 -0.333651635424E+03 0.17486E-03 -0.69692E-04 4938 0.565E-02 0.983E-02 RMM: 5 -0.333651581783E+03 0.53641E-04 -0.76260E-05 3456 0.263E-02 0.725E-02 RMM: 6 -0.333651566140E+03 0.15644E-04 -0.29494E-05 2593 0.167E-02 7978 T= 6057. E= 0.67566693E+03 F= 0.62261742E+03 E0= 0.65113058E+03 EK= 0.49328E+02 SP= 0.34E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332715476763E+03 0.93611E+00 -0.19531E-01 8480 0.222E+01 0.295E-01 RMM: 2 -0.332745543877E+03 -0.30067E-01 -0.16857E-01 5450 0.882E-01 0.149E+00 RMM: 3 -0.332729531025E+03 0.16013E-01 -0.15863E-02 5408 0.296E-01 0.280E-01 RMM: 4 -0.332728969040E+03 0.56198E-03 -0.14268E-03 4991 0.762E-02 0.103E-01 RMM: 5 -0.332728924603E+03 0.44437E-04 -0.15159E-04 3951 0.330E-02 0.890E-02 RMM: 6 -0.332728887755E+03 0.36848E-04 -0.38361E-05 2928 0.180E-02 0.637E-02 RMM: 7 -0.332728917411E+03 -0.29655E-04 -0.52670E-05 3269 0.204E-02 0.939E-02 RMM: 8 -0.332728872061E+03 0.45350E-04 -0.10042E-04 3888 0.222E-02 0.475E-02 RMM: 9 -0.332728858609E+03 0.13452E-04 -0.15888E-05 2526 0.115E-02 7979 T= 5903. E= 0.67566913E+03 F= 0.62354013E+03 E0= 0.65207985E+03 EK= 0.48072E+02 SP= 0.38E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331779212496E+03 0.94966E+00 -0.20681E-01 8792 0.221E+01 0.319E-01 RMM: 2 -0.331811319068E+03 -0.32107E-01 -0.18208E-01 5373 0.913E-01 0.152E+00 RMM: 3 -0.331794307495E+03 0.17012E-01 -0.16959E-02 5399 0.303E-01 0.312E-01 RMM: 4 -0.331793666277E+03 0.64122E-03 -0.17962E-03 5065 0.905E-02 0.135E-01 RMM: 5 -0.331793663619E+03 0.26576E-05 -0.24988E-04 3970 0.372E-02 0.146E-01 RMM: 6 -0.331793527739E+03 0.13588E-03 -0.81307E-05 3564 0.261E-02 0.441E-02 RMM: 7 -0.331793536616E+03 -0.88775E-05 -0.29604E-05 2716 0.161E-02 7980 T= 5751. E= 0.67567133E+03 F= 0.62447545E+03 E0= 0.65303250E+03 EK= 0.46832E+02 SP= 0.41E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330862373523E+03 0.93115E+00 -0.21206E-01 8808 0.220E+01 0.213E-01 RMM: 2 -0.330887798501E+03 -0.25425E-01 -0.18649E-01 5744 0.917E-01 0.108E+00 RMM: 3 -0.330878994535E+03 0.88040E-02 -0.15987E-02 5592 0.253E-01 0.187E-01 RMM: 4 -0.330878641328E+03 0.35321E-03 -0.10283E-03 4910 0.672E-02 0.109E-01 RMM: 5 -0.330878587775E+03 0.53553E-04 -0.13322E-04 3985 0.304E-02 0.789E-02 RMM: 6 -0.330878561169E+03 0.26606E-04 -0.36172E-05 2930 0.178E-02 0.554E-02 RMM: 7 -0.330878604954E+03 -0.43784E-04 -0.50733E-05 3202 0.196E-02 0.977E-02 RMM: 8 -0.330878546276E+03 0.58677E-04 -0.57213E-05 3270 0.202E-02 0.270E-02 RMM: 9 -0.330878544815E+03 0.14609E-05 -0.13581E-05 2481 0.107E-02 7981 T= 5605. E= 0.67567372E+03 F= 0.62539044E+03 E0= 0.65395594E+03 EK= 0.45646E+02 SP= 0.45E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330009030971E+03 0.86952E+00 -0.21334E-01 8984 0.220E+01 0.190E-01 RMM: 2 -0.330030287665E+03 -0.21257E-01 -0.17971E-01 5475 0.893E-01 0.818E-01 RMM: 3 -0.330024573958E+03 0.57137E-02 -0.14168E-02 5832 0.229E-01 0.153E-01 RMM: 4 -0.330024322849E+03 0.25111E-03 -0.81568E-04 4779 0.645E-02 0.136E-01 RMM: 5 -0.330024210764E+03 0.11209E-03 -0.12977E-04 3839 0.297E-02 0.806E-02 RMM: 6 -0.330024175275E+03 0.35488E-04 -0.35832E-05 2937 0.181E-02 0.447E-02 RMM: 7 -0.330024181896E+03 -0.66208E-05 -0.29297E-05 2622 0.157E-02 7982 T= 5472. E= 0.67567720E+03 F= 0.62624481E+03 E0= 0.65481052E+03 EK= 0.44557E+02 SP= 0.47E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329276722638E+03 0.74745E+00 -0.18898E-01 8920 0.219E+01 0.198E-01 RMM: 2 -0.329294769379E+03 -0.18047E-01 -0.15131E-01 5632 0.814E-01 0.782E-01 RMM: 3 -0.329289598460E+03 0.51709E-02 -0.11075E-02 5844 0.207E-01 0.167E-01 RMM: 4 -0.329289351780E+03 0.24668E-03 -0.69671E-04 4934 0.540E-02 0.108E-01 RMM: 5 -0.329289284781E+03 0.66999E-04 -0.90110E-05 3640 0.248E-02 0.758E-02 RMM: 6 -0.329289272611E+03 0.12170E-04 -0.34178E-05 2922 0.174E-02 7983 T= 5357. E= 0.67568203E+03 F= 0.62697972E+03 E0= 0.65554126E+03 EK= 0.43627E+02 SP= 0.50E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328741448802E+03 0.54784E+00 -0.17261E-01 8896 0.218E+01 0.328E-01 RMM: 2 -0.328776875623E+03 -0.35427E-01 -0.14095E-01 5642 0.799E-01 0.186E+00 RMM: 3 -0.328752579573E+03 0.24296E-01 -0.14160E-02 5378 0.275E-01 0.294E-01 RMM: 4 -0.328752001457E+03 0.57812E-03 -0.16848E-03 4785 0.807E-02 0.118E-01 RMM: 5 -0.328751937019E+03 0.64438E-04 -0.19083E-04 4204 0.307E-02 0.101E-01 RMM: 6 -0.328751885988E+03 0.51031E-04 -0.35166E-05 2926 0.178E-02 0.671E-02 RMM: 7 -0.328751915766E+03 -0.29778E-04 -0.62742E-05 3428 0.219E-02 0.981E-02 RMM: 8 -0.328751871398E+03 0.44368E-04 -0.10770E-04 3895 0.231E-02 0.567E-02 RMM: 9 -0.328751852418E+03 0.18980E-04 -0.24845E-05 2652 0.142E-02 7984 T= 5272. E= 0.67568782E+03 F= 0.62751714E+03 E0= 0.65607136E+03 EK= 0.42935E+02 SP= 0.52E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328487808440E+03 0.26406E+00 -0.14838E-01 8992 0.216E+01 0.363E-01 RMM: 2 -0.328527477919E+03 -0.39669E-01 -0.13704E-01 5512 0.818E-01 0.203E+00 RMM: 3 -0.328498478952E+03 0.28999E-01 -0.16163E-02 5383 0.298E-01 0.364E-01 RMM: 4 -0.328497584729E+03 0.89422E-03 -0.21908E-03 4759 0.987E-02 0.126E-01 RMM: 5 -0.328497584727E+03 0.20427E-08 -0.28545E-04 3963 0.389E-02 0.147E-01 RMM: 6 -0.328497449292E+03 0.13543E-03 -0.74775E-05 3511 0.248E-02 0.511E-02 RMM: 7 -0.328497454526E+03 -0.52335E-05 -0.29159E-05 2671 0.160E-02 7985 T= 5227. E= 0.67569196E+03 F= 0.62777153E+03 E0= 0.65631823E+03 EK= 0.42565E+02 SP= 0.53E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328575134513E+03 -0.77685E-01 -0.11605E-01 8776 0.215E+01 0.238E-01 RMM: 2 -0.328594132453E+03 -0.18998E-01 -0.10596E-01 5600 0.709E-01 0.120E+00 RMM: 3 -0.328583902484E+03 0.10230E-01 -0.93222E-03 5465 0.213E-01 0.250E-01 RMM: 4 -0.328583450589E+03 0.45190E-03 -0.98574E-04 4772 0.634E-02 0.860E-02 RMM: 5 -0.328583417668E+03 0.32921E-04 -0.10584E-04 4024 0.234E-02 0.795E-02 RMM: 6 -0.328583396048E+03 0.21620E-04 -0.18371E-05 2555 0.130E-02 0.631E-02 RMM: 7 -0.328583421184E+03 -0.25136E-04 -0.61341E-05 3368 0.208E-02 0.953E-02 RMM: 8 -0.328583370549E+03 0.50635E-04 -0.77384E-05 3780 0.221E-02 0.405E-02 RMM: 9 -0.328583362412E+03 0.81368E-05 -0.15162E-05 2514 0.114E-02 7986 T= 5228. E= 0.67569144E+03 F= 0.62768563E+03 E0= 0.65622595E+03 EK= 0.42570E+02 SP= 0.54E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328993212654E+03 -0.40984E+00 -0.96629E-02 8072 0.216E+01 0.229E-01 RMM: 2 -0.329008495153E+03 -0.15282E-01 -0.89996E-02 5353 0.667E-01 0.108E+00 RMM: 3 -0.329000175353E+03 0.83198E-02 -0.88156E-03 5590 0.200E-01 0.167E-01 RMM: 4 -0.329000048680E+03 0.12667E-03 -0.84104E-04 4693 0.615E-02 0.144E-01 RMM: 5 -0.328999909553E+03 0.13913E-03 -0.12938E-04 3858 0.269E-02 0.785E-02 RMM: 6 -0.328999871520E+03 0.38033E-04 -0.31005E-05 2916 0.171E-02 0.363E-02 RMM: 7 -0.328999870638E+03 0.88176E-06 -0.16396E-05 2503 0.121E-02 7987 T= 5273. E= 0.67568568E+03 F= 0.62726912E+03 E0= 0.65580540E+03 EK= 0.42939E+02 SP= 0.55E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329653843462E+03 -0.65397E+00 -0.92092E-02 8160 0.217E+01 0.176E-01 RMM: 2 -0.329664262731E+03 -0.10419E-01 -0.75877E-02 5323 0.614E-01 0.767E-01 RMM: 3 -0.329659877310E+03 0.43854E-02 -0.69247E-03 5819 0.165E-01 0.166E-01 RMM: 4 -0.329659632339E+03 0.24497E-03 -0.48889E-04 4412 0.470E-02 0.794E-02 RMM: 5 -0.329659589156E+03 0.43183E-04 -0.66149E-05 3543 0.214E-02 0.614E-02 RMM: 6 -0.329659576676E+03 0.12479E-04 -0.20282E-05 2539 0.136E-02 7988 T= 5352. E= 0.67567657E+03 F= 0.62660941E+03 E0= 0.65514392E+03 EK= 0.43587E+02 SP= 0.55E+01 SK= 0.62E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330418272072E+03 -0.75868E+00 -0.99845E-02 8224 0.219E+01 0.269E-01 RMM: 2 -0.330439276290E+03 -0.21004E-01 -0.95838E-02 5145 0.711E-01 0.140E+00 RMM: 3 -0.330425599492E+03 0.13677E-01 -0.11738E-02 5461 0.243E-01 0.219E-01 RMM: 4 -0.330425277286E+03 0.32221E-03 -0.11482E-03 4995 0.635E-02 0.983E-02 RMM: 5 -0.330425208415E+03 0.68871E-04 -0.11576E-04 3842 0.291E-02 0.753E-02 RMM: 6 -0.330425182929E+03 0.25486E-04 -0.27585E-05 2633 0.157E-02 0.551E-02 RMM: 7 -0.330425191108E+03 -0.81793E-05 -0.36109E-05 2853 0.178E-02 7989 T= 5449. E= 0.67566777E+03 F= 0.62584380E+03 E0= 0.65437955E+03 EK= 0.44376E+02 SP= 0.54E+01 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331148812052E+03 -0.72363E+00 -0.10164E-01 8520 0.221E+01 0.245E-01 RMM: 2 -0.331165518004E+03 -0.16706E-01 -0.95161E-02 5290 0.686E-01 0.115E+00 RMM: 3 -0.331156200146E+03 0.93179E-02 -0.94613E-03 5504 0.211E-01 0.270E-01 RMM: 4 -0.331155719519E+03 0.48063E-03 -0.11204E-03 4640 0.725E-02 0.116E-01 RMM: 5 -0.331155651829E+03 0.67689E-04 -0.16390E-04 3880 0.330E-02 0.901E-02 RMM: 6 -0.331155605280E+03 0.46550E-04 -0.33800E-05 2896 0.180E-02 0.438E-02 RMM: 7 -0.331155607263E+03 -0.19832E-05 -0.23703E-05 2575 0.143E-02 7990 T= 5546. E= 0.67566068E+03 F= 0.62511338E+03 E0= 0.65365233E+03 EK= 0.45167E+02 SP= 0.54E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331727522236E+03 -0.57192E+00 -0.10764E-01 8744 0.223E+01 0.214E-01 RMM: 2 -0.331743201530E+03 -0.15679E-01 -0.10051E-01 5271 0.686E-01 0.102E+00 RMM: 3 -0.331735403492E+03 0.77980E-02 -0.96882E-03 5671 0.201E-01 0.173E-01 RMM: 4 -0.331735168578E+03 0.23491E-03 -0.76091E-04 4863 0.556E-02 0.108E-01 RMM: 5 -0.331735086784E+03 0.81793E-04 -0.91721E-05 3711 0.250E-02 0.737E-02 RMM: 6 -0.331735066369E+03 0.20416E-04 -0.24695E-05 2584 0.149E-02 0.612E-02 RMM: 7 -0.331735057661E+03 0.87075E-05 -0.36938E-05 2677 0.166E-02 7991 T= 5629. E= 0.67565580E+03 F= 0.62453393E+03 E0= 0.65307608E+03 EK= 0.45842E+02 SP= 0.52E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332076896803E+03 -0.34183E+00 -0.11455E-01 8424 0.224E+01 0.162E-01 RMM: 2 -0.332089279631E+03 -0.12383E-01 -0.10151E-01 5034 0.679E-01 0.694E-01 RMM: 3 -0.332085349426E+03 0.39302E-02 -0.99297E-03 5882 0.189E-01 0.169E-01 RMM: 4 -0.332085080872E+03 0.26855E-03 -0.59532E-04 4587 0.532E-02 0.994E-02 RMM: 5 -0.332085010628E+03 0.70244E-04 -0.87881E-05 3606 0.257E-02 0.632E-02 RMM: 6 -0.332084995448E+03 0.15180E-04 -0.23025E-05 2576 0.144E-02 7992 T= 5688. E= 0.67565317E+03 F= 0.62418399E+03 E0= 0.65272842E+03 EK= 0.46320E+02 SP= 0.51E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332153565113E+03 -0.68554E-01 -0.12126E-01 8384 0.225E+01 0.191E-01 RMM: 2 -0.332169193067E+03 -0.15628E-01 -0.98851E-02 5197 0.657E-01 0.101E+00 RMM: 3 -0.332161588224E+03 0.76048E-02 -0.99229E-03 5507 0.206E-01 0.203E-01 RMM: 4 -0.332161288644E+03 0.29958E-03 -0.85766E-04 4902 0.577E-02 0.814E-02 RMM: 5 -0.332161236417E+03 0.52227E-04 -0.83695E-05 3729 0.225E-02 0.709E-02 RMM: 6 -0.332161220146E+03 0.16271E-04 -0.21854E-05 2535 0.139E-02 7993 T= 5717. E= 0.67565209E+03 F= 0.62410777E+03 E0= 0.65265107E+03 EK= 0.46553E+02 SP= 0.49E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331939622132E+03 0.22161E+00 -0.12623E-01 8416 0.225E+01 0.323E-01 RMM: 2 -0.331975809990E+03 -0.36188E-01 -0.11337E-01 4908 0.750E-01 0.196E+00 RMM: 3 -0.331948399392E+03 0.27411E-01 -0.16375E-02 5373 0.300E-01 0.326E-01 RMM: 4 -0.331947642100E+03 0.75729E-03 -0.19438E-03 4978 0.866E-02 0.897E-02 RMM: 5 -0.331947605014E+03 0.37086E-04 -0.19556E-04 4140 0.310E-02 0.903E-02 RMM: 6 -0.331947551630E+03 0.53384E-04 -0.32043E-05 2689 0.168E-02 0.525E-02 RMM: 7 -0.331947561929E+03 -0.10300E-04 -0.36854E-05 2965 0.179E-02 7994 T= 5713. E= 0.67565243E+03 F= 0.62432143E+03 E0= 0.65286028E+03 EK= 0.46525E+02 SP= 0.47E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331443395809E+03 0.50416E+00 -0.12209E-01 8192 0.226E+01 0.311E-01 RMM: 2 -0.331475527194E+03 -0.32131E-01 -0.11468E-01 4939 0.740E-01 0.181E+00 RMM: 3 -0.331452020636E+03 0.23507E-01 -0.14646E-02 5389 0.280E-01 0.288E-01 RMM: 4 -0.331451486592E+03 0.53404E-03 -0.17987E-03 4864 0.877E-02 0.131E-01 RMM: 5 -0.331451520391E+03 -0.33799E-04 -0.26455E-04 3896 0.397E-02 0.153E-01 RMM: 6 -0.331451363455E+03 0.15694E-03 -0.89153E-05 3610 0.273E-02 0.383E-02 RMM: 7 -0.331451362506E+03 0.94962E-06 -0.20615E-05 2563 0.137E-02 7995 T= 5678. E= 0.67565429E+03 F= 0.62481763E+03 E0= 0.65334853E+03 EK= 0.46242E+02 SP= 0.45E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330691582272E+03 0.75978E+00 -0.12304E-01 8120 0.225E+01 0.206E-01 RMM: 2 -0.330710874553E+03 -0.19292E-01 -0.10734E-01 5142 0.685E-01 0.118E+00 RMM: 3 -0.330700159456E+03 0.10715E-01 -0.10379E-02 5485 0.217E-01 0.186E-01 RMM: 4 -0.330699893406E+03 0.26605E-03 -0.95158E-04 4933 0.605E-02 0.855E-02 RMM: 5 -0.330699840542E+03 0.52864E-04 -0.10028E-04 3747 0.257E-02 0.680E-02 RMM: 6 -0.330699810611E+03 0.29931E-04 -0.25646E-05 2603 0.153E-02 0.400E-02 RMM: 7 -0.330699813450E+03 -0.28393E-05 -0.25564E-05 2601 0.146E-02 7996 T= 5616. E= 0.67565800E+03 F= 0.62556918E+03 E0= 0.65408839E+03 EK= 0.45730E+02 SP= 0.42E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329734900640E+03 0.96491E+00 -0.12890E-01 8264 0.224E+01 0.162E-01 RMM: 2 -0.329748298078E+03 -0.13397E-01 -0.10550E-01 5005 0.703E-01 0.741E-01 RMM: 3 -0.329743783490E+03 0.45146E-02 -0.10604E-02 5964 0.194E-01 0.140E-01 RMM: 4 -0.329743531724E+03 0.25177E-03 -0.56455E-04 4697 0.518E-02 0.845E-02 RMM: 5 -0.329743495792E+03 0.35931E-04 -0.76508E-05 3497 0.240E-02 0.615E-02 RMM: 6 -0.329743473424E+03 0.22368E-04 -0.23765E-05 2574 0.151E-02 0.325E-02 RMM: 7 -0.329743477583E+03 -0.41589E-05 -0.15282E-05 2502 0.121E-02 7997 T= 5531. E= 0.67566273E+03 F= 0.62652551E+03 E0= 0.65503207E+03 EK= 0.45041E+02 SP= 0.39E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328642505426E+03 0.11010E+01 -0.12437E-01 8048 0.223E+01 0.143E-01 RMM: 2 -0.328654938959E+03 -0.12434E-01 -0.11324E-01 4991 0.733E-01 0.548E-01 RMM: 3 -0.328652235267E+03 0.27037E-02 -0.11679E-02 6176 0.190E-01 0.115E-01 RMM: 4 -0.328651987940E+03 0.24733E-03 -0.48411E-04 4551 0.507E-02 0.110E-01 RMM: 5 -0.328651905573E+03 0.82367E-04 -0.77137E-05 3467 0.258E-02 0.491E-02 RMM: 6 -0.328651893701E+03 0.11872E-04 -0.21916E-05 2555 0.138E-02 7998 T= 5433. E= 0.67566879E+03 F= 0.62761710E+03 E0= 0.65611081E+03 EK= 0.44245E+02 SP= 0.35E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327499117487E+03 0.11528E+01 -0.11836E-01 7856 0.221E+01 0.193E-01 RMM: 2 -0.327517012754E+03 -0.17895E-01 -0.11871E-01 4959 0.766E-01 0.102E+00 RMM: 3 -0.327509333186E+03 0.76796E-02 -0.13186E-02 5732 0.219E-01 0.188E-01 RMM: 4 -0.327508930179E+03 0.40301E-03 -0.83067E-04 4973 0.596E-02 0.698E-02 RMM: 5 -0.327508903473E+03 0.26706E-04 -0.95385E-05 3796 0.243E-02 0.632E-02 RMM: 6 -0.327508884546E+03 0.18926E-04 -0.22505E-05 2563 0.142E-02 7999 T= 5333. E= 0.67567579E+03 F= 0.62876010E+03 E0= 0.65724253E+03 EK= 0.43427E+02 SP= 0.32E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326399088142E+03 0.11098E+01 -0.10749E-01 7776 0.219E+01 0.266E-01 RMM: 2 -0.326422927185E+03 -0.23839E-01 -0.99378E-02 4954 0.728E-01 0.149E+00 RMM: 3 -0.326407200220E+03 0.15727E-01 -0.13001E-02 5421 0.255E-01 0.267E-01 RMM: 4 -0.326406663364E+03 0.53686E-03 -0.13568E-03 4801 0.746E-02 0.756E-02 RMM: 5 -0.326406638475E+03 0.24890E-04 -0.15721E-04 4397 0.271E-02 0.786E-02 RMM: 6 -0.326406603339E+03 0.35136E-04 -0.23867E-05 2588 0.149E-02 0.477E-02 RMM: 7 -0.326406615435E+03 -0.12096E-04 -0.27047E-05 2625 0.157E-02 8000 T= 5241. E= 0.67568253E+03 F= 0.62986237E+03 E0= 0.65833536E+03 EK= 0.42680E+02 SP= 0.27E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325430362750E+03 0.97624E+00 -0.10908E-01 7752 0.218E+01 0.251E-01 RMM: 2 -0.325452855611E+03 -0.22493E-01 -0.11420E-01 4880 0.773E-01 0.135E+00 RMM: 3 -0.325439672305E+03 0.13183E-01 -0.13265E-02 5466 0.246E-01 0.248E-01 RMM: 4 -0.325439235523E+03 0.43678E-03 -0.14080E-03 4823 0.797E-02 0.107E-01 RMM: 5 -0.325439262283E+03 -0.26760E-04 -0.21011E-04 3920 0.340E-02 0.124E-01 RMM: 6 -0.325439156527E+03 0.10576E-03 -0.55561E-05 3282 0.218E-02 0.288E-02 RMM: 7 -0.325439156995E+03 -0.46825E-06 -0.15470E-05 2509 0.119E-02 8001 T= 5170. E= 0.67568911E+03 F= 0.63082983E+03 E0= 0.65929665E+03 EK= 0.42101E+02 SP= 0.23E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324687407172E+03 0.75175E+00 -0.10170E-01 7648 0.216E+01 0.208E-01 RMM: 2 -0.324704888860E+03 -0.17482E-01 -0.10615E-01 4875 0.759E-01 0.110E+00 RMM: 3 -0.324696353602E+03 0.85353E-02 -0.12337E-02 5610 0.225E-01 0.171E-01 RMM: 4 -0.324696063825E+03 0.28978E-03 -0.87636E-04 5087 0.587E-02 0.822E-02 RMM: 5 -0.324696011910E+03 0.51915E-04 -0.97082E-05 3779 0.261E-02 0.627E-02 RMM: 6 -0.324695989035E+03 0.22875E-04 -0.23275E-05 2561 0.142E-02 0.427E-02 RMM: 7 -0.324695986615E+03 0.24202E-05 -0.26341E-05 2605 0.146E-02 8002 T= 5131. E= 0.67569427E+03 F= 0.63157300E+03 E0= 0.66003688E+03 EK= 0.41781E+02 SP= 0.17E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324245977843E+03 0.45001E+00 -0.92815E-02 7688 0.215E+01 0.134E-01 RMM: 2 -0.324255299922E+03 -0.93221E-02 -0.81418E-02 4908 0.659E-01 0.546E-01 RMM: 3 -0.324253069268E+03 0.22307E-02 -0.90748E-03 6042 0.173E-01 0.113E-01 RMM: 4 -0.324252870367E+03 0.19890E-03 -0.41452E-04 4594 0.468E-02 0.853E-02 RMM: 5 -0.324252827298E+03 0.43069E-04 -0.60710E-05 3331 0.232E-02 0.521E-02 RMM: 6 -0.324252814220E+03 0.13078E-04 -0.20002E-05 2529 0.135E-02 8003 T= 5133. E= 0.67569775E+03 F= 0.63201618E+03 E0= 0.66048110E+03 EK= 0.41799E+02 SP= 0.11E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324156496377E+03 0.96331E-01 -0.94449E-02 7560 0.215E+01 0.204E-01 RMM: 2 -0.324174249956E+03 -0.17754E-01 -0.96222E-02 4862 0.724E-01 0.117E+00 RMM: 3 -0.324164658984E+03 0.95910E-02 -0.11310E-02 5557 0.218E-01 0.193E-01 RMM: 4 -0.324164340313E+03 0.31867E-03 -0.87124E-04 4787 0.614E-02 0.791E-02 RMM: 5 -0.324164300714E+03 0.39599E-04 -0.10719E-04 3997 0.250E-02 0.643E-02 RMM: 6 -0.324164277868E+03 0.22845E-04 -0.21758E-05 2553 0.138E-02 0.426E-02 RMM: 7 -0.324164279390E+03 -0.15215E-05 -0.21222E-05 2512 0.143E-02 8004 T= 5184. E= 0.67569918E+03 F= 0.63210471E+03 E0= 0.66057440E+03 EK= 0.42214E+02 SP= 0.51E+00 SK= 0.87E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324450944439E+03 -0.28667E+00 -0.91706E-02 7744 0.216E+01 0.195E-01 RMM: 2 -0.324463628096E+03 -0.12684E-01 -0.76561E-02 4919 0.658E-01 0.955E-01 RMM: 3 -0.324457287419E+03 0.63407E-02 -0.88262E-03 5548 0.197E-01 0.197E-01 RMM: 4 -0.324456999700E+03 0.28772E-03 -0.79604E-04 4665 0.621E-02 0.895E-02 RMM: 5 -0.324456987320E+03 0.12380E-04 -0.12027E-04 3809 0.275E-02 8005 T= 5287. E= 0.67569864E+03 F= 0.63181200E+03 E0= 0.66029024E+03 EK= 0.43057E+02 SP= -.17E+00 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325114236021E+03 -0.65724E+00 -0.93903E-02 7680 0.218E+01 0.145E-01 RMM: 2 -0.325126614099E+03 -0.12378E-01 -0.89862E-02 4980 0.686E-01 0.797E-01 RMM: 3 -0.325122146982E+03 0.44671E-02 -0.10029E-02 5866 0.184E-01 0.125E-01 RMM: 4 -0.325121915790E+03 0.23119E-03 -0.48147E-04 4591 0.482E-02 0.839E-02 RMM: 5 -0.325121863075E+03 0.52715E-04 -0.63123E-05 3311 0.223E-02 0.575E-02 RMM: 6 -0.325121854973E+03 0.81022E-05 -0.22841E-05 2525 0.140E-02 8006 T= 5443. E= 0.67569564E+03 F= 0.63114713E+03 E0= 0.65963716E+03 EK= 0.44321E+02 SP= -.90E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326103931769E+03 -0.98207E+00 -0.10108E-01 7696 0.221E+01 0.248E-01 RMM: 2 -0.326126516428E+03 -0.22585E-01 -0.97785E-02 4882 0.729E-01 0.143E+00 RMM: 3 -0.326111982671E+03 0.14534E-01 -0.12468E-02 5407 0.248E-01 0.238E-01 RMM: 4 -0.326111568177E+03 0.41449E-03 -0.12511E-03 4894 0.693E-02 0.807E-02 RMM: 5 -0.326111544293E+03 0.23884E-04 -0.14143E-04 3865 0.297E-02 0.759E-02 RMM: 6 -0.326111508112E+03 0.36181E-04 -0.26841E-05 2655 0.154E-02 0.410E-02 RMM: 7 -0.326111507450E+03 0.66183E-06 -0.14471E-05 2491 0.123E-02 8007 T= 5644. E= 0.67568993E+03 F= 0.63015748E+03 E0= 0.65866224E+03 EK= 0.45961E+02 SP= -.17E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327338412159E+03 -0.12269E+01 -0.10525E-01 7712 0.224E+01 0.299E-01 RMM: 2 -0.327364852694E+03 -0.26441E-01 -0.11290E-01 4954 0.796E-01 0.159E+00 RMM: 3 -0.327347350273E+03 0.17502E-01 -0.14700E-02 5429 0.271E-01 0.265E-01 RMM: 4 -0.327346869339E+03 0.48093E-03 -0.16131E-03 4788 0.840E-02 0.131E-01 RMM: 5 -0.327346815319E+03 0.54020E-04 -0.22853E-04 3889 0.377E-02 0.111E-01 RMM: 6 -0.327346732328E+03 0.82991E-04 -0.54365E-05 3241 0.218E-02 0.353E-02 RMM: 7 -0.327346730614E+03 0.17144E-05 -0.17053E-05 2512 0.126E-02 8008 T= 5882. E= 0.67568239E+03 F= 0.62892226E+03 E0= 0.65744396E+03 EK= 0.47901E+02 SP= -.25E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328714688581E+03 -0.13680E+01 -0.10998E-01 7912 0.229E+01 0.191E-01 RMM: 2 -0.328730827960E+03 -0.16139E-01 -0.11075E-01 4936 0.764E-01 0.971E-01 RMM: 3 -0.328724245321E+03 0.65826E-02 -0.12648E-02 5714 0.221E-01 0.184E-01 RMM: 4 -0.328723899669E+03 0.34565E-03 -0.80392E-04 4828 0.608E-02 0.100E-01 RMM: 5 -0.328723839434E+03 0.60236E-04 -0.11411E-04 3785 0.288E-02 0.680E-02 RMM: 6 -0.328723814671E+03 0.24763E-04 -0.26360E-05 2600 0.153E-02 0.478E-02 RMM: 7 -0.328723810189E+03 0.44817E-05 -0.23585E-05 2578 0.146E-02 8009 T= 6144. E= 0.67567397E+03 F= 0.62754518E+03 E0= 0.65608503E+03 EK= 0.50034E+02 SP= -.33E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330118568731E+03 -0.13948E+01 -0.11690E-01 8000 0.233E+01 0.172E-01 RMM: 2 -0.330132961070E+03 -0.14392E-01 -0.11551E-01 4886 0.777E-01 0.770E-01 RMM: 3 -0.330128656687E+03 0.43044E-02 -0.13434E-02 5984 0.215E-01 0.151E-01 RMM: 4 -0.330128354507E+03 0.30218E-03 -0.64566E-04 4699 0.586E-02 0.116E-01 RMM: 5 -0.330128266783E+03 0.87724E-04 -0.10362E-04 3673 0.287E-02 0.627E-02 RMM: 6 -0.330128248956E+03 0.17827E-04 -0.24207E-05 2564 0.147E-02 8010 T= 6415. E= 0.67566548E+03 F= 0.62614074E+03 E0= 0.65469956E+03 EK= 0.52241E+02 SP= -.41E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331435299829E+03 -0.13070E+01 -0.12400E-01 8128 0.238E+01 0.172E-01 RMM: 2 -0.331450934481E+03 -0.15635E-01 -0.12025E-01 5062 0.760E-01 0.832E-01 RMM: 3 -0.331445519350E+03 0.54151E-02 -0.12404E-02 5875 0.216E-01 0.172E-01 RMM: 4 -0.331445216228E+03 0.30312E-03 -0.70755E-04 4683 0.584E-02 0.102E-01 RMM: 5 -0.331445141480E+03 0.74748E-04 -0.95727E-05 3690 0.260E-02 0.689E-02 RMM: 6 -0.331445124860E+03 0.16620E-04 -0.21385E-05 2537 0.136E-02 8011 T= 6680. E= 0.67565781E+03 F= 0.62482386E+03 E0= 0.65340160E+03 EK= 0.54399E+02 SP= -.50E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332559734680E+03 -0.11146E+01 -0.12954E-01 8208 0.242E+01 0.278E-01 RMM: 2 -0.332586914833E+03 -0.27180E-01 -0.12572E-01 4976 0.808E-01 0.154E+00 RMM: 3 -0.332569974910E+03 0.16940E-01 -0.15559E-02 5470 0.277E-01 0.282E-01 RMM: 4 -0.332569354951E+03 0.61996E-03 -0.14939E-03 4832 0.795E-02 0.927E-02 RMM: 5 -0.332569311264E+03 0.43687E-04 -0.17136E-04 4071 0.314E-02 0.823E-02 RMM: 6 -0.332569274604E+03 0.36660E-04 -0.26490E-05 2574 0.152E-02 0.579E-02 RMM: 7 -0.332569277836E+03 -0.32327E-05 -0.29607E-05 2714 0.168E-02 8012 T= 6925. E= 0.67565137E+03 F= 0.62369971E+03 E0= 0.65229782E+03 EK= 0.56392E+02 SP= -.58E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333404264249E+03 -0.83499E+00 -0.14106E-01 8208 0.246E+01 0.253E-01 RMM: 2 -0.333428659617E+03 -0.24395E-01 -0.14048E-01 4952 0.828E-01 0.132E+00 RMM: 3 -0.333415715543E+03 0.12944E-01 -0.14920E-02 5462 0.267E-01 0.255E-01 RMM: 4 -0.333415325216E+03 0.39033E-03 -0.15364E-03 4910 0.848E-02 0.146E-01 RMM: 5 -0.333415270765E+03 0.54451E-04 -0.22878E-04 3916 0.374E-02 0.128E-01 RMM: 6 -0.333415160034E+03 0.11073E-03 -0.71074E-05 3463 0.245E-02 0.375E-02 RMM: 7 -0.333415161520E+03 -0.14861E-05 -0.20239E-05 2541 0.138E-02 8013 T= 7137. E= 0.67564749E+03 F= 0.62285383E+03 E0= 0.65147372E+03 EK= 0.58121E+02 SP= -.66E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333910166153E+03 -0.49501E+00 -0.15537E-01 8296 0.248E+01 0.197E-01 RMM: 2 -0.333934261246E+03 -0.24095E-01 -0.17769E-01 4926 0.934E-01 0.105E+00 RMM: 3 -0.333925492148E+03 0.87691E-02 -0.18091E-02 5834 0.262E-01 0.192E-01 RMM: 4 -0.333925066395E+03 0.42575E-03 -0.10167E-03 4896 0.696E-02 0.107E-01 RMM: 5 -0.333924984500E+03 0.81895E-04 -0.13817E-04 3966 0.313E-02 0.703E-02 RMM: 6 -0.333924959112E+03 0.25388E-04 -0.29788E-05 2667 0.160E-02 0.513E-02 RMM: 7 -0.333924955209E+03 0.39035E-05 -0.26548E-05 2609 0.153E-02 8014 T= 7308. E= 0.67564571E+03 F= 0.62234403E+03 E0= 0.65098522E+03 EK= 0.59512E+02 SP= -.74E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334056446733E+03 -0.13149E+00 -0.16728E-01 8040 0.250E+01 0.161E-01 RMM: 2 -0.334077304728E+03 -0.20858E-01 -0.19143E-01 5005 0.974E-01 0.650E-01 RMM: 3 -0.334073435468E+03 0.38693E-02 -0.18820E-02 6227 0.248E-01 0.131E-01 RMM: 4 -0.334073054596E+03 0.38087E-03 -0.73281E-04 4792 0.640E-02 0.112E-01 RMM: 5 -0.334072972518E+03 0.82078E-04 -0.99736E-05 3666 0.300E-02 0.622E-02 RMM: 6 -0.334072956725E+03 0.15793E-04 -0.26056E-05 2560 0.155E-02 8015 T= 7433. E= 0.67564643E+03 F= 0.62219603E+03 E0= 0.65086030E+03 EK= 0.60528E+02 SP= -.82E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333853141809E+03 0.21983E+00 -0.16392E-01 8368 0.251E+01 0.192E-01 RMM: 2 -0.333876015319E+03 -0.22874E-01 -0.17506E-01 5129 0.904E-01 0.985E-01 RMM: 3 -0.333868137936E+03 0.78774E-02 -0.16072E-02 5818 0.252E-01 0.182E-01 RMM: 4 -0.333867777895E+03 0.36004E-03 -0.90083E-04 4901 0.646E-02 0.981E-02 RMM: 5 -0.333867713337E+03 0.64559E-04 -0.11319E-04 4052 0.280E-02 0.736E-02 RMM: 6 -0.333867689409E+03 0.23928E-04 -0.25863E-05 2570 0.151E-02 0.568E-02 RMM: 7 -0.333867691219E+03 -0.18100E-05 -0.31944E-05 2682 0.170E-02 8016 T= 7511. E= 0.67564895E+03 F= 0.62240130E+03 E0= 0.65108832E+03 EK= 0.61163E+02 SP= -.89E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333335857294E+03 0.53183E+00 -0.16025E-01 8736 0.251E+01 0.268E-01 RMM: 2 -0.333361321591E+03 -0.25464E-01 -0.15534E-01 5113 0.865E-01 0.132E+00 RMM: 3 -0.333348429656E+03 0.12892E-01 -0.14848E-02 5728 0.255E-01 0.245E-01 RMM: 4 -0.333347987309E+03 0.44235E-03 -0.13385E-03 4782 0.807E-02 0.129E-01 RMM: 5 -0.333347982486E+03 0.48235E-05 -0.19813E-04 3897 0.340E-02 8017 T= 7546. E= 0.67565504E+03 F= 0.62292101E+03 E0= 0.65163178E+03 EK= 0.61449E+02 SP= -.96E+01 SK= 0.90E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332564838333E+03 0.78315E+00 -0.16526E-01 8536 0.250E+01 0.171E-01 RMM: 2 -0.332585065105E+03 -0.20227E-01 -0.16877E-01 5487 0.864E-01 0.803E-01 RMM: 3 -0.332578954322E+03 0.61108E-02 -0.12665E-02 5923 0.220E-01 0.146E-01 RMM: 4 -0.332578698886E+03 0.25544E-03 -0.65860E-04 4935 0.541E-02 0.106E-01 RMM: 5 -0.332578622450E+03 0.76437E-04 -0.85658E-05 3665 0.248E-02 0.752E-02 RMM: 6 -0.332578612159E+03 0.10291E-04 -0.32641E-05 2721 0.170E-02 8018 T= 7545. E= 0.67566230E+03 F= 0.62369038E+03 E0= 0.65242188E+03 EK= 0.61442E+02 SP= -.10E+02 SK= 0.80E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331622473884E+03 0.95615E+00 -0.16303E-01 8520 0.249E+01 0.311E-01 RMM: 2 -0.331660818697E+03 -0.38345E-01 -0.16102E-01 5095 0.882E-01 0.187E+00 RMM: 3 -0.331635450208E+03 0.25368E-01 -0.17879E-02 5404 0.307E-01 0.287E-01 RMM: 4 -0.331634894316E+03 0.55589E-03 -0.18945E-03 5069 0.855E-02 0.105E-01 RMM: 5 -0.331634859489E+03 0.34827E-04 -0.19902E-04 3945 0.346E-02 0.101E-01 RMM: 6 -0.331634796780E+03 0.62709E-04 -0.40879E-05 3032 0.188E-02 0.495E-02 RMM: 7 -0.331634797401E+03 -0.62049E-06 -0.20980E-05 2526 0.145E-02 8019 T= 7517. E= 0.67566806E+03 F= 0.62463419E+03 E0= 0.65338581E+03 EK= 0.61211E+02 SP= -.11E+02 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330575842342E+03 0.10590E+01 -0.16190E-01 8752 0.248E+01 0.410E-01 RMM: 2 -0.330626017393E+03 -0.50175E-01 -0.17567E-01 5144 0.940E-01 0.229E+00 RMM: 3 -0.330589270351E+03 0.36747E-01 -0.21894E-02 5393 0.349E-01 0.420E-01 RMM: 4 -0.330587999434E+03 0.12709E-02 -0.27514E-03 5271 0.110E-01 0.121E-01 RMM: 5 -0.330588055118E+03 -0.55685E-04 -0.36115E-04 3916 0.430E-02 0.163E-01 RMM: 6 -0.330587880344E+03 0.17477E-03 -0.10326E-04 3764 0.285E-02 0.495E-02 RMM: 7 -0.330587872253E+03 0.80906E-05 -0.21161E-05 2576 0.131E-02 8020 T= 7470. E= 0.67567312E+03 F= 0.62568112E+03 E0= 0.65445075E+03 EK= 0.60827E+02 SP= -.11E+02 SK= 0.61E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329480591613E+03 0.11073E+01 -0.16546E-01 8768 0.246E+01 0.248E-01 RMM: 2 -0.329507367267E+03 -0.26776E-01 -0.17715E-01 5336 0.896E-01 0.125E+00 RMM: 3 -0.329495229085E+03 0.12138E-01 -0.15188E-02 5504 0.265E-01 0.212E-01 RMM: 4 -0.329494890032E+03 0.33905E-03 -0.13313E-03 5247 0.701E-02 0.111E-01 RMM: 5 -0.329494810027E+03 0.80004E-04 -0.13119E-04 3851 0.310E-02 0.830E-02 RMM: 6 -0.329494774469E+03 0.35558E-04 -0.30280E-05 2754 0.164E-02 0.564E-02 RMM: 7 -0.329494781714E+03 -0.72448E-05 -0.48678E-05 3061 0.190E-02 8021 T= 7411. E= 0.67567631E+03 F= 0.62677421E+03 E0= 0.65556041E+03 EK= 0.60349E+02 SP= -.12E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328379652597E+03 0.11151E+01 -0.17163E-01 8888 0.246E+01 0.212E-01 RMM: 2 -0.328402867078E+03 -0.23214E-01 -0.18718E-01 5283 0.916E-01 0.935E-01 RMM: 3 -0.328395368352E+03 0.74987E-02 -0.14976E-02 5714 0.251E-01 0.203E-01 RMM: 4 -0.328395012395E+03 0.35596E-03 -0.10565E-03 4994 0.678E-02 0.115E-01 RMM: 5 -0.328394940575E+03 0.71821E-04 -0.13358E-04 3852 0.303E-02 0.842E-02 RMM: 6 -0.328394904669E+03 0.35906E-04 -0.31833E-05 2847 0.169E-02 0.549E-02 RMM: 7 -0.328394905046E+03 -0.37741E-06 -0.29051E-05 2629 0.165E-02 8022 T= 7346. E= 0.67567776E+03 F= 0.62787408E+03 E0= 0.65667482E+03 EK= 0.59818E+02 SP= -.12E+02 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327293788407E+03 0.11011E+01 -0.18312E-01 8968 0.245E+01 0.179E-01 RMM: 2 -0.327315125538E+03 -0.21337E-01 -0.18818E-01 5680 0.876E-01 0.742E-01 RMM: 3 -0.327309498120E+03 0.56274E-02 -0.12087E-02 5813 0.223E-01 0.160E-01 RMM: 4 -0.327309273424E+03 0.22470E-03 -0.76593E-04 4946 0.576E-02 0.116E-01 RMM: 5 -0.327309185374E+03 0.88050E-04 -0.88484E-05 3615 0.252E-02 0.759E-02 RMM: 6 -0.327309168066E+03 0.17308E-04 -0.23555E-05 2568 0.147E-02 8023 T= 7277. E= 0.67567916E+03 F= 0.62895982E+03 E0= 0.65777349E+03 EK= 0.59259E+02 SP= -.13E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326227182014E+03 0.10820E+01 -0.21848E-01 8896 0.245E+01 0.247E-01 RMM: 2 -0.326259655607E+03 -0.32474E-01 -0.22764E-01 5397 0.983E-01 0.129E+00 RMM: 3 -0.326246341432E+03 0.13314E-01 -0.18127E-02 5576 0.280E-01 0.273E-01 RMM: 4 -0.326245724104E+03 0.61733E-03 -0.14232E-03 5114 0.760E-02 0.104E-01 RMM: 5 -0.326245677337E+03 0.46767E-04 -0.14852E-04 4345 0.285E-02 0.897E-02 RMM: 6 -0.326245660857E+03 0.16480E-04 -0.22681E-05 2561 0.139E-02 8024 T= 7206. E= 0.67567999E+03 F= 0.63002333E+03 E0= 0.65884939E+03 EK= 0.58683E+02 SP= -.13E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325187106206E+03 0.10586E+01 -0.24939E-01 8792 0.245E+01 0.372E-01 RMM: 2 -0.325239666877E+03 -0.52561E-01 -0.23986E-01 5358 0.101E+00 0.213E+00 RMM: 3 -0.325206542332E+03 0.33125E-01 -0.23250E-02 5415 0.346E-01 0.388E-01 RMM: 4 -0.325205427338E+03 0.11150E-02 -0.25982E-03 5230 0.103E-01 0.124E-01 RMM: 5 -0.325205376260E+03 0.51077E-04 -0.31957E-04 5179 0.303E-02 0.110E-01 RMM: 6 -0.325205338072E+03 0.38189E-04 -0.24354E-05 2627 0.150E-02 0.934E-02 RMM: 7 -0.325205417495E+03 -0.79423E-04 -0.10924E-04 3861 0.265E-02 0.142E-01 RMM: 8 -0.325205303988E+03 0.11351E-03 -0.21047E-04 3897 0.296E-02 0.451E-02 RMM: 9 -0.325205298881E+03 0.51077E-05 -0.29025E-05 2739 0.147E-02 8025 T= 7134. E= 0.67568059E+03 F= 0.63106369E+03 E0= 0.65990209E+03 EK= 0.58096E+02 SP= -.14E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324168407791E+03 0.10369E+01 -0.28707E-01 8720 0.245E+01 0.346E-01 RMM: 2 -0.324209088808E+03 -0.40681E-01 -0.25777E-01 5602 0.101E+00 0.160E+00 RMM: 3 -0.324189228525E+03 0.19860E-01 -0.18719E-02 5423 0.307E-01 0.300E-01 RMM: 4 -0.324188902923E+03 0.32560E-03 -0.24625E-03 5228 0.109E-01 0.245E-01 RMM: 5 -0.324188724485E+03 0.17844E-03 -0.43320E-04 4175 0.508E-02 0.182E-01 RMM: 6 -0.324188519406E+03 0.20508E-03 -0.12865E-04 3856 0.311E-02 0.566E-02 RMM: 7 -0.324188561697E+03 -0.42290E-04 -0.58958E-05 3337 0.206E-02 0.894E-02 RMM: 8 -0.324188534789E+03 0.26908E-04 -0.40192E-05 3004 0.196E-02 0.377E-02 RMM: 9 -0.324188529926E+03 0.48629E-05 -0.11873E-05 2487 0.102E-02 8026 T= 7061. E= 0.67568130E+03 F= 0.63208046E+03 E0= 0.66093180E+03 EK= 0.57502E+02 SP= -.14E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323176281886E+03 0.10123E+01 -0.33107E-01 8728 0.245E+01 0.213E-01 RMM: 2 -0.323208185853E+03 -0.31904E-01 -0.25758E-01 5973 0.101E+00 0.104E+00 RMM: 3 -0.323198627257E+03 0.95586E-02 -0.14474E-02 5575 0.251E-01 0.211E-01 RMM: 4 -0.323198261930E+03 0.36533E-03 -0.10816E-03 4957 0.676E-02 0.106E-01 RMM: 5 -0.323198182480E+03 0.79450E-04 -0.13041E-04 4331 0.270E-02 0.781E-02 RMM: 6 -0.323198159313E+03 0.23167E-04 -0.26487E-05 2611 0.153E-02 0.618E-02 RMM: 7 -0.323198167167E+03 -0.78545E-05 -0.58171E-05 3322 0.202E-02 8027 T= 6988. E= 0.67568222E+03 F= 0.63307082E+03 E0= 0.66193694E+03 EK= 0.56906E+02 SP= -.15E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322220226990E+03 0.97793E+00 -0.35414E-01 8808 0.245E+01 0.184E-01 RMM: 2 -0.322249023204E+03 -0.28796E-01 -0.25687E-01 6275 0.999E-01 0.791E-01 RMM: 3 -0.322242963139E+03 0.60601E-02 -0.13211E-02 5685 0.227E-01 0.171E-01 RMM: 4 -0.322242676920E+03 0.28622E-03 -0.83019E-04 4955 0.593E-02 0.117E-01 RMM: 5 -0.322242600056E+03 0.76863E-04 -0.10128E-04 3765 0.268E-02 0.729E-02 RMM: 6 -0.322242588171E+03 0.11886E-04 -0.26083E-05 2597 0.153E-02 8028 T= 6916. E= 0.67568357E+03 F= 0.63402640E+03 E0= 0.66291064E+03 EK= 0.56322E+02 SP= -.15E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321313831932E+03 0.92877E+00 -0.37106E-01 8872 0.245E+01 0.273E-01 RMM: 2 -0.321356146221E+03 -0.42314E-01 -0.28231E-01 5594 0.109E+00 0.152E+00 RMM: 3 -0.321338214813E+03 0.17931E-01 -0.19605E-02 5553 0.300E-01 0.248E-01 RMM: 4 -0.321337716544E+03 0.49827E-03 -0.16676E-03 5127 0.803E-02 0.114E-01 RMM: 5 -0.321337666756E+03 0.49788E-04 -0.19274E-04 4704 0.309E-02 0.932E-02 RMM: 6 -0.321337635213E+03 0.31543E-04 -0.29379E-05 2645 0.160E-02 0.720E-02 RMM: 7 -0.321337667647E+03 -0.32434E-04 -0.54713E-05 3294 0.208E-02 0.990E-02 RMM: 8 -0.321337620405E+03 0.47243E-04 -0.11310E-04 3889 0.232E-02 0.429E-02 RMM: 9 -0.321337612504E+03 0.79009E-05 -0.18220E-05 2558 0.119E-02 8029 T= 6848. E= 0.67568528E+03 F= 0.63493138E+03 E0= 0.66383760E+03 EK= 0.55768E+02 SP= -.15E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320480758195E+03 0.85686E+00 -0.34681E-01 8880 0.244E+01 0.332E-01 RMM: 2 -0.320524510565E+03 -0.43752E-01 -0.26130E-01 5540 0.103E+00 0.172E+00 RMM: 3 -0.320502514042E+03 0.21997E-01 -0.19292E-02 5453 0.307E-01 0.282E-01 RMM: 4 -0.320502123261E+03 0.39078E-03 -0.21540E-03 5106 0.975E-02 0.189E-01 RMM: 5 -0.320502041146E+03 0.82116E-04 -0.33375E-04 4033 0.398E-02 0.166E-01 RMM: 6 -0.320501866453E+03 0.17469E-03 -0.10559E-04 3705 0.286E-02 0.460E-02 RMM: 7 -0.320501884931E+03 -0.18477E-04 -0.36423E-05 2962 0.172E-02 8030 T= 6787. E= 0.67568676E+03 F= 0.63576710E+03 E0= 0.66469920E+03 EK= 0.55266E+02 SP= -.16E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319727290503E+03 0.77458E+00 -0.31879E-01 8912 0.243E+01 0.221E-01 RMM: 2 -0.319759874742E+03 -0.32584E-01 -0.24838E-01 5479 0.102E+00 0.116E+00 RMM: 3 -0.319748915932E+03 0.10959E-01 -0.17906E-02 5801 0.264E-01 0.213E-01 RMM: 4 -0.319748433797E+03 0.48213E-03 -0.11667E-03 4895 0.724E-02 0.103E-01 RMM: 5 -0.319748387528E+03 0.46269E-04 -0.16191E-04 4489 0.292E-02 0.796E-02 RMM: 6 -0.319748355637E+03 0.31891E-04 -0.28284E-05 2685 0.157E-02 0.515E-02 RMM: 7 -0.319748372567E+03 -0.16930E-04 -0.39666E-05 2995 0.186E-02 8031 T= 6733. E= 0.67568737E+03 F= 0.63652062E+03 E0= 0.66548195E+03 EK= 0.54831E+02 SP= -.16E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319061323607E+03 0.68703E+00 -0.27842E-01 9048 0.242E+01 0.224E-01 RMM: 2 -0.319088197454E+03 -0.26874E-01 -0.21637E-01 5497 0.953E-01 0.100E+00 RMM: 3 -0.319079676027E+03 0.85214E-02 -0.15448E-02 5924 0.247E-01 0.185E-01 RMM: 4 -0.319079330989E+03 0.34504E-03 -0.99943E-04 4956 0.659E-02 0.115E-01 RMM: 5 -0.319079259271E+03 0.71718E-04 -0.14270E-04 4166 0.279E-02 0.861E-02 RMM: 6 -0.319079219585E+03 0.39685E-04 -0.33708E-05 2885 0.176E-02 0.454E-02 RMM: 7 -0.319079226768E+03 -0.71824E-05 -0.23759E-05 2563 0.146E-02 8032 T= 6689. E= 0.67568697E+03 F= 0.63718976E+03 E0= 0.66618016E+03 EK= 0.54468E+02 SP= -.16E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318466424127E+03 0.61280E+00 -0.24929E-01 8984 0.242E+01 0.211E-01 RMM: 2 -0.318492505613E+03 -0.26081E-01 -0.21452E-01 5231 0.986E-01 0.953E-01 RMM: 3 -0.318484965890E+03 0.75397E-02 -0.17652E-02 5992 0.256E-01 0.199E-01 RMM: 4 -0.318484501282E+03 0.46461E-03 -0.10065E-03 4919 0.683E-02 0.112E-01 RMM: 5 -0.318484435847E+03 0.65435E-04 -0.14829E-04 3983 0.301E-02 0.796E-02 RMM: 6 -0.318484401421E+03 0.34426E-04 -0.34922E-05 2911 0.174E-02 0.495E-02 RMM: 7 -0.318484412659E+03 -0.11238E-04 -0.32376E-05 2664 0.170E-02 8033 T= 6652. E= 0.67568560E+03 F= 0.63778458E+03 E0= 0.66680218E+03 EK= 0.54169E+02 SP= -.16E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317929396929E+03 0.55500E+00 -0.20361E-01 9048 0.241E+01 0.198E-01 RMM: 2 -0.317950337697E+03 -0.20941E-01 -0.17580E-01 5456 0.873E-01 0.859E-01 RMM: 3 -0.317944019315E+03 0.63184E-02 -0.12924E-02 6096 0.221E-01 0.157E-01 RMM: 4 -0.317943761209E+03 0.25811E-03 -0.78350E-04 4923 0.591E-02 0.126E-01 RMM: 5 -0.317943665177E+03 0.96032E-04 -0.11197E-04 3783 0.262E-02 0.770E-02 RMM: 6 -0.317943636953E+03 0.28224E-04 -0.30825E-05 2821 0.168E-02 0.513E-02 RMM: 7 -0.317943638670E+03 -0.17171E-05 -0.45545E-05 2961 0.190E-02 8034 T= 6621. E= 0.67568366E+03 F= 0.63832535E+03 E0= 0.66736422E+03 EK= 0.53915E+02 SP= -.17E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317420540697E+03 0.52310E+00 -0.17796E-01 8856 0.240E+01 0.216E-01 RMM: 2 -0.317443496233E+03 -0.22956E-01 -0.18202E-01 5216 0.918E-01 0.981E-01 RMM: 3 -0.317435959793E+03 0.75364E-02 -0.16481E-02 6077 0.241E-01 0.203E-01 RMM: 4 -0.317435482463E+03 0.47733E-03 -0.95791E-04 4863 0.674E-02 0.115E-01 RMM: 5 -0.317435409503E+03 0.72960E-04 -0.13586E-04 3917 0.282E-02 0.836E-02 RMM: 6 -0.317435372034E+03 0.37469E-04 -0.30816E-05 2832 0.168E-02 0.518E-02 RMM: 7 -0.317435376366E+03 -0.43317E-05 -0.28359E-05 2622 0.156E-02 8035 T= 6593. E= 0.67568286E+03 F= 0.63883361E+03 E0= 0.66788640E+03 EK= 0.53690E+02 SP= -.17E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316939531058E+03 0.49584E+00 -0.14931E-01 8888 0.239E+01 0.193E-01 RMM: 2 -0.316957315920E+03 -0.17785E-01 -0.14661E-01 5424 0.811E-01 0.840E-01 RMM: 3 -0.316951604437E+03 0.57115E-02 -0.11750E-02 6145 0.209E-01 0.177E-01 RMM: 4 -0.316951283485E+03 0.32095E-03 -0.70688E-04 4863 0.569E-02 0.110E-01 RMM: 5 -0.316951203910E+03 0.79575E-04 -0.91805E-05 3744 0.240E-02 0.719E-02 RMM: 6 -0.316951185432E+03 0.18479E-04 -0.23591E-05 2582 0.149E-02 8036 T= 6568. E= 0.67568388E+03 F= 0.63931780E+03 E0= 0.66837499E+03 EK= 0.53486E+02 SP= -.17E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316488614641E+03 0.46259E+00 -0.14271E-01 8456 0.238E+01 0.269E-01 RMM: 2 -0.316516483021E+03 -0.27868E-01 -0.15697E-01 5248 0.861E-01 0.144E+00 RMM: 3 -0.316501540447E+03 0.14943E-01 -0.15812E-02 5505 0.267E-01 0.293E-01 RMM: 4 -0.316500892441E+03 0.64801E-03 -0.15133E-03 4914 0.781E-02 0.103E-01 RMM: 5 -0.316500837163E+03 0.55278E-04 -0.18069E-04 4528 0.285E-02 0.872E-02 RMM: 6 -0.316500804902E+03 0.32261E-04 -0.22877E-05 2596 0.142E-02 0.722E-02 RMM: 7 -0.316500816938E+03 -0.12036E-04 -0.39837E-05 2992 0.183E-02 8037 T= 6547. E= 0.67568565E+03 F= 0.63976817E+03 E0= 0.66882027E+03 EK= 0.53312E+02 SP= -.18E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316100151345E+03 0.40065E+00 -0.13151E-01 8016 0.237E+01 0.285E-01 RMM: 2 -0.316124062959E+03 -0.23912E-01 -0.12763E-01 5217 0.798E-01 0.139E+00 RMM: 3 -0.316110337117E+03 0.13726E-01 -0.13856E-02 5472 0.259E-01 0.309E-01 RMM: 4 -0.316109707861E+03 0.62926E-03 -0.16524E-03 4792 0.878E-02 0.129E-01 RMM: 5 -0.316109660279E+03 0.47583E-04 -0.23137E-04 3905 0.367E-02 0.113E-01 RMM: 6 -0.316109576376E+03 0.83902E-04 -0.52041E-05 3234 0.212E-02 0.390E-02 RMM: 7 -0.316109577626E+03 -0.12498E-05 -0.18957E-05 2527 0.133E-02 8038 T= 6532. E= 0.67568774E+03 F= 0.64015941E+03 E0= 0.66919835E+03 EK= 0.53196E+02 SP= -.18E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315796643368E+03 0.31293E+00 -0.12686E-01 7912 0.236E+01 0.246E-01 RMM: 2 -0.315818208497E+03 -0.21565E-01 -0.13094E-01 5213 0.812E-01 0.124E+00 RMM: 3 -0.315807264069E+03 0.10944E-01 -0.13808E-02 5687 0.245E-01 0.211E-01 RMM: 4 -0.315806883370E+03 0.38070E-03 -0.10902E-03 4894 0.673E-02 0.115E-01 RMM: 5 -0.315806803387E+03 0.79983E-04 -0.13067E-04 3853 0.297E-02 0.811E-02 RMM: 6 -0.315806766925E+03 0.36462E-04 -0.30415E-05 2743 0.165E-02 0.589E-02 RMM: 7 -0.315806768104E+03 -0.11787E-05 -0.49408E-05 3063 0.189E-02 8039 T= 6529. E= 0.67568942E+03 F= 0.64046222E+03 E0= 0.66948065E+03 EK= 0.53166E+02 SP= -.18E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315602049617E+03 0.20472E+00 -0.12565E-01 8008 0.236E+01 0.192E-01 RMM: 2 -0.315618414408E+03 -0.16365E-01 -0.12847E-01 4922 0.824E-01 0.850E-01 RMM: 3 -0.315613014504E+03 0.53999E-02 -0.14181E-02 5859 0.236E-01 0.175E-01 RMM: 4 -0.315612703931E+03 0.31057E-03 -0.81274E-04 4821 0.626E-02 0.106E-01 RMM: 5 -0.315612648532E+03 0.55399E-04 -0.11836E-04 3759 0.300E-02 0.793E-02 RMM: 6 -0.315612612139E+03 0.36393E-04 -0.31171E-05 2764 0.170E-02 0.361E-02 RMM: 7 -0.315612614603E+03 -0.24648E-05 -0.16679E-05 2504 0.129E-02 8040 T= 6538. E= 0.67568897E+03 F= 0.64065637E+03 E0= 0.66964888E+03 EK= 0.53242E+02 SP= -.18E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315514664196E+03 0.97948E-01 -0.13252E-01 7880 0.236E+01 0.186E-01 RMM: 2 -0.315532870960E+03 -0.18207E-01 -0.15092E-01 4859 0.901E-01 0.822E-01 RMM: 3 -0.315527867630E+03 0.50033E-02 -0.17103E-02 6090 0.242E-01 0.165E-01 RMM: 4 -0.315527442482E+03 0.42515E-03 -0.79327E-04 4760 0.672E-02 0.117E-01 RMM: 5 -0.315527363910E+03 0.78572E-04 -0.12377E-04 3798 0.309E-02 0.743E-02 RMM: 6 -0.315527332596E+03 0.31314E-04 -0.30130E-05 2643 0.167E-02 0.438E-02 RMM: 7 -0.315527332380E+03 0.21640E-06 -0.23148E-05 2542 0.144E-02 8041 T= 6560. E= 0.67568765E+03 F= 0.64074166E+03 E0= 0.66970514E+03 EK= 0.53424E+02 SP= -.19E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315523638595E+03 0.36940E-02 -0.13361E-01 8160 0.237E+01 0.169E-01 RMM: 2 -0.315540747181E+03 -0.17109E-01 -0.15330E-01 4963 0.895E-01 0.672E-01 RMM: 3 -0.315537022045E+03 0.37251E-02 -0.16696E-02 6220 0.238E-01 0.141E-01 RMM: 4 -0.315536682826E+03 0.33922E-03 -0.70608E-04 4748 0.620E-02 0.118E-01 RMM: 5 -0.315536598035E+03 0.84792E-04 -0.10536E-04 3653 0.305E-02 0.667E-02 RMM: 6 -0.315536578952E+03 0.19083E-04 -0.27859E-05 2567 0.158E-02 8042 T= 6594. E= 0.67568668E+03 F= 0.64073241E+03 E0= 0.66966547E+03 EK= 0.53701E+02 SP= -.19E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315608776947E+03 -0.72179E-01 -0.14954E-01 7952 0.239E+01 0.212E-01 RMM: 2 -0.315635161423E+03 -0.26384E-01 -0.19002E-01 4935 0.983E-01 0.113E+00 RMM: 3 -0.315625466679E+03 0.96947E-02 -0.20365E-02 5742 0.279E-01 0.233E-01 RMM: 4 -0.315624895823E+03 0.57086E-03 -0.12034E-03 4957 0.756E-02 0.102E-01 RMM: 5 -0.315624837440E+03 0.58383E-04 -0.15378E-04 4320 0.299E-02 0.806E-02 RMM: 6 -0.315624809855E+03 0.27585E-04 -0.26738E-05 2589 0.156E-02 0.650E-02 RMM: 7 -0.315624815391E+03 -0.55362E-05 -0.37316E-05 2845 0.183E-02 8043 T= 6638. E= 0.67568555E+03 F= 0.64064417E+03 E0= 0.66954621E+03 EK= 0.54054E+02 SP= -.19E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315771071309E+03 -0.14626E+00 -0.14753E-01 8368 0.241E+01 0.240E-01 RMM: 2 -0.315793259194E+03 -0.22188E-01 -0.16299E-01 4846 0.931E-01 0.106E+00 RMM: 3 -0.315785044450E+03 0.82147E-02 -0.18565E-02 5892 0.270E-01 0.223E-01 RMM: 4 -0.315784545807E+03 0.49864E-03 -0.12366E-03 4867 0.799E-02 0.140E-01 RMM: 5 -0.315784450311E+03 0.95496E-04 -0.18660E-04 3904 0.353E-02 0.929E-02 RMM: 6 -0.315784398706E+03 0.51605E-04 -0.39949E-05 3048 0.188E-02 0.423E-02 RMM: 7 -0.315784401528E+03 -0.28214E-05 -0.21795E-05 2547 0.146E-02 8044 T= 6690. E= 0.67568566E+03 F= 0.64048459E+03 E0= 0.66935462E+03 EK= 0.54476E+02 SP= -.19E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316007212157E+03 -0.22281E+00 -0.15220E-01 8240 0.242E+01 0.217E-01 RMM: 2 -0.316030454795E+03 -0.23243E-01 -0.17686E-01 4886 0.942E-01 0.106E+00 RMM: 3 -0.316022403537E+03 0.80513E-02 -0.19175E-02 5936 0.270E-01 0.195E-01 RMM: 4 -0.316021946039E+03 0.45750E-03 -0.10428E-03 4892 0.708E-02 0.126E-01 RMM: 5 -0.316021844396E+03 0.10164E-03 -0.14328E-04 3902 0.311E-02 0.819E-02 RMM: 6 -0.316021812865E+03 0.31530E-04 -0.32881E-05 2735 0.173E-02 0.614E-02 RMM: 7 -0.316021809766E+03 0.30993E-05 -0.41688E-05 2811 0.186E-02 8045 T= 6750. E= 0.67568664E+03 F= 0.64024718E+03 E0= 0.66908300E+03 EK= 0.54972E+02 SP= -.20E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316337019581E+03 -0.31521E+00 -0.15210E-01 8392 0.244E+01 0.219E-01 RMM: 2 -0.316358535500E+03 -0.21516E-01 -0.17203E-01 4901 0.934E-01 0.941E-01 RMM: 3 -0.316351804373E+03 0.67311E-02 -0.19117E-02 5996 0.266E-01 0.185E-01 RMM: 4 -0.316351367422E+03 0.43695E-03 -0.99933E-04 4900 0.703E-02 0.132E-01 RMM: 5 -0.316351268437E+03 0.98985E-04 -0.15028E-04 3842 0.325E-02 0.814E-02 RMM: 6 -0.316351235498E+03 0.32939E-04 -0.36409E-05 2948 0.179E-02 0.532E-02 RMM: 7 -0.316351230083E+03 0.54154E-05 -0.40387E-05 2761 0.189E-02 8046 T= 6822. E= 0.67568769E+03 F= 0.63991776E+03 E0= 0.66871684E+03 EK= 0.55552E+02 SP= -.20E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316769808225E+03 -0.41857E+00 -0.16790E-01 8368 0.246E+01 0.199E-01 RMM: 2 -0.316793072800E+03 -0.23265E-01 -0.19573E-01 4874 0.996E-01 0.893E-01 RMM: 3 -0.316787131217E+03 0.59416E-02 -0.21390E-02 6146 0.264E-01 0.162E-01 RMM: 4 -0.316786676904E+03 0.45431E-03 -0.94924E-04 4790 0.739E-02 0.153E-01 RMM: 5 -0.316786517825E+03 0.15908E-03 -0.15779E-04 3860 0.328E-02 0.770E-02 RMM: 6 -0.316786489422E+03 0.28403E-04 -0.36009E-05 2927 0.179E-02 0.529E-02 RMM: 7 -0.316786488630E+03 0.79170E-06 -0.31133E-05 2628 0.171E-02 8047 T= 6905. E= 0.67568745E+03 F= 0.63948250E+03 E0= 0.66824119E+03 EK= 0.56227E+02 SP= -.20E+02 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317308329394E+03 -0.52184E+00 -0.18202E-01 8488 0.247E+01 0.214E-01 RMM: 2 -0.317332681632E+03 -0.24352E-01 -0.20390E-01 4889 0.101E+00 0.909E-01 RMM: 3 -0.317326296952E+03 0.63847E-02 -0.22284E-02 6188 0.270E-01 0.196E-01 RMM: 4 -0.317325686647E+03 0.61031E-03 -0.10003E-03 4807 0.745E-02 0.123E-01 RMM: 5 -0.317325593969E+03 0.92678E-04 -0.15759E-04 3901 0.319E-02 0.852E-02 RMM: 6 -0.317325558981E+03 0.34988E-04 -0.40434E-05 3043 0.189E-02 0.516E-02 RMM: 7 -0.317325563756E+03 -0.47757E-05 -0.37708E-05 2732 0.175E-02 8048 T= 6998. E= 0.67568516E+03 F= 0.63894343E+03 E0= 0.66765850E+03 EK= 0.56990E+02 SP= -.20E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317924367746E+03 -0.59881E+00 -0.19695E-01 8696 0.249E+01 0.209E-01 RMM: 2 -0.317948873924E+03 -0.24506E-01 -0.20610E-01 4878 0.101E+00 0.909E-01 RMM: 3 -0.317942483605E+03 0.63903E-02 -0.21739E-02 6225 0.267E-01 0.175E-01 RMM: 4 -0.317941946630E+03 0.53698E-03 -0.96911E-04 4780 0.753E-02 0.141E-01 RMM: 5 -0.317941816384E+03 0.13025E-03 -0.16206E-04 3877 0.332E-02 0.787E-02 RMM: 6 -0.317941786815E+03 0.29569E-04 -0.38312E-05 2988 0.185E-02 0.492E-02 RMM: 7 -0.317941790301E+03 -0.34856E-05 -0.30532E-05 2612 0.167E-02 8049 T= 7099. E= 0.67568142E+03 F= 0.63832720E+03 E0= 0.66699838E+03 EK= 0.57811E+02 SP= -.21E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318568444055E+03 -0.62666E+00 -0.20488E-01 8896 0.251E+01 0.211E-01 RMM: 2 -0.318592546303E+03 -0.24102E-01 -0.20509E-01 4975 0.997E-01 0.868E-01 RMM: 3 -0.318586238049E+03 0.63083E-02 -0.20012E-02 6200 0.262E-01 0.200E-01 RMM: 4 -0.318585682501E+03 0.55555E-03 -0.95237E-04 4771 0.737E-02 0.127E-01 RMM: 5 -0.318585579176E+03 0.10333E-03 -0.16152E-04 3880 0.329E-02 0.876E-02 RMM: 6 -0.318585539401E+03 0.39775E-04 -0.43335E-05 3079 0.196E-02 0.491E-02 RMM: 7 -0.318585544572E+03 -0.51707E-05 -0.37530E-05 2722 0.177E-02 8050 T= 7200. E= 0.67567563E+03 F= 0.63768344E+03 E0= 0.66631303E+03 EK= 0.58635E+02 SP= -.21E+02 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319172443732E+03 -0.58690E+00 -0.21310E-01 8848 0.253E+01 0.213E-01 RMM: 2 -0.319197026316E+03 -0.24583E-01 -0.20999E-01 5018 0.100E+00 0.877E-01 RMM: 3 -0.319190581907E+03 0.64444E-02 -0.19939E-02 6224 0.261E-01 0.184E-01 RMM: 4 -0.319190081759E+03 0.50015E-03 -0.94655E-04 4768 0.739E-02 0.140E-01 RMM: 5 -0.319189959032E+03 0.12273E-03 -0.16727E-04 3887 0.343E-02 0.833E-02 RMM: 6 -0.319189924028E+03 0.35004E-04 -0.41418E-05 3040 0.191E-02 0.511E-02 RMM: 7 -0.319189929663E+03 -0.56348E-05 -0.33863E-05 2665 0.175E-02 8051 T= 7293. E= 0.67566943E+03 F= 0.63707906E+03 E0= 0.66567326E+03 EK= 0.59392E+02 SP= -.21E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319668564358E+03 -0.47864E+00 -0.21330E-01 8968 0.254E+01 0.193E-01 RMM: 2 -0.319691265719E+03 -0.22701E-01 -0.20916E-01 5079 0.987E-01 0.685E-01 RMM: 3 -0.319686788301E+03 0.44774E-02 -0.18888E-02 6357 0.252E-01 0.167E-01 RMM: 4 -0.319686355186E+03 0.43311E-03 -0.82269E-04 4762 0.691E-02 0.148E-01 RMM: 5 -0.319686203022E+03 0.15216E-03 -0.14976E-04 3887 0.339E-02 0.742E-02 RMM: 6 -0.319686180607E+03 0.22415E-04 -0.40008E-05 2990 0.186E-02 0.544E-02 RMM: 7 -0.319686174395E+03 0.62116E-05 -0.47596E-05 2862 0.192E-02 8052 T= 7369. E= 0.67566351E+03 F= 0.63658281E+03 E0= 0.66515058E+03 EK= 0.60009E+02 SP= -.21E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319994884277E+03 -0.30870E+00 -0.23295E-01 8984 0.256E+01 0.199E-01 RMM: 2 -0.320021509403E+03 -0.26625E-01 -0.23681E-01 4901 0.108E+00 0.803E-01 RMM: 3 -0.320015979112E+03 0.55303E-02 -0.23460E-02 6302 0.276E-01 0.170E-01 RMM: 4 -0.320015409681E+03 0.56943E-03 -0.99418E-04 4829 0.768E-02 0.138E-01 RMM: 5 -0.320015293016E+03 0.11667E-03 -0.16415E-04 3912 0.345E-02 0.809E-02 RMM: 6 -0.320015264123E+03 0.28894E-04 -0.40841E-05 2995 0.187E-02 0.555E-02 RMM: 7 -0.320015273795E+03 -0.96720E-05 -0.40664E-05 2863 0.187E-02 8053 T= 7420. E= 0.67565955E+03 F= 0.63625372E+03 E0= 0.66480612E+03 EK= 0.60424E+02 SP= -.21E+02 SK= 0.76E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320130064251E+03 -0.11480E+00 -0.23391E-01 8976 0.257E+01 0.190E-01 RMM: 2 -0.320154319863E+03 -0.24256E-01 -0.21877E-01 5176 0.103E+00 0.741E-01 RMM: 3 -0.320149359895E+03 0.49600E-02 -0.18570E-02 6123 0.259E-01 0.160E-01 RMM: 4 -0.320148984010E+03 0.37589E-03 -0.83790E-04 4867 0.669E-02 0.130E-01 RMM: 5 -0.320148873313E+03 0.11070E-03 -0.13227E-04 3875 0.318E-02 0.711E-02 RMM: 6 -0.320148858986E+03 0.14327E-04 -0.37816E-05 2929 0.180E-02 8054 T= 7443. E= 0.67565932E+03 F= 0.63612013E+03 E0= 0.66466904E+03 EK= 0.60607E+02 SP= -.21E+02 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320084713501E+03 0.64160E-01 -0.22985E-01 8888 0.257E+01 0.257E-01 RMM: 2 -0.320118720202E+03 -0.34007E-01 -0.21574E-01 5160 0.101E+00 0.143E+00 RMM: 3 -0.320103099077E+03 0.15621E-01 -0.19896E-02 5546 0.299E-01 0.215E-01 RMM: 4 -0.320102709755E+03 0.38932E-03 -0.15272E-03 5245 0.774E-02 0.116E-01 RMM: 5 -0.320102633591E+03 0.76164E-04 -0.16816E-04 4502 0.317E-02 0.869E-02 RMM: 6 -0.320102607581E+03 0.26010E-04 -0.37834E-05 2910 0.180E-02 0.696E-02 RMM: 7 -0.320102652191E+03 -0.44611E-04 -0.82353E-05 3696 0.242E-02 0.107E-01 RMM: 8 -0.320102583954E+03 0.68237E-04 -0.85856E-05 3821 0.219E-02 0.346E-02 RMM: 9 -0.320102582985E+03 0.96892E-06 -0.17351E-05 2550 0.119E-02 8055 T= 7438. E= 0.67566276E+03 F= 0.63616641E+03 E0= 0.66472208E+03 EK= 0.60574E+02 SP= -.21E+02 SK= 0.21E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319926128590E+03 0.17646E+00 -0.21110E-01 8864 0.257E+01 0.298E-01 RMM: 2 -0.319959860425E+03 -0.33732E-01 -0.19026E-01 5138 0.957E-01 0.158E+00 RMM: 3 -0.319941650153E+03 0.18210E-01 -0.18124E-02 5490 0.298E-01 0.268E-01 RMM: 4 -0.319941157531E+03 0.49262E-03 -0.18380E-03 5111 0.915E-02 0.143E-01 RMM: 5 -0.319941112930E+03 0.44601E-04 -0.24921E-04 3981 0.356E-02 0.127E-01 RMM: 6 -0.319941010250E+03 0.10268E-03 -0.59683E-05 3325 0.223E-02 0.462E-02 RMM: 7 -0.319941025745E+03 -0.15496E-04 -0.30297E-05 2726 0.161E-02 8056 T= 7415. E= 0.67567009E+03 F= 0.63632796E+03 E0= 0.66489839E+03 EK= 0.60387E+02 SP= -.21E+02 SK= 0.42E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319760063827E+03 0.18095E+00 -0.19916E-01 8776 0.256E+01 0.210E-01 RMM: 2 -0.319784176756E+03 -0.24113E-01 -0.17936E-01 5373 0.937E-01 0.106E+00 RMM: 3 -0.319775476306E+03 0.87004E-02 -0.14831E-02 5688 0.250E-01 0.198E-01 RMM: 4 -0.319775128687E+03 0.34762E-03 -0.97264E-04 4841 0.671E-02 0.108E-01 RMM: 5 -0.319775073485E+03 0.55202E-04 -0.12504E-04 4236 0.268E-02 0.864E-02 RMM: 6 -0.319775054709E+03 0.18776E-04 -0.29402E-05 2655 0.166E-02 8057 T= 7387. E= 0.67567951E+03 F= 0.63649393E+03 E0= 0.66508397E+03 EK= 0.60159E+02 SP= -.21E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319721133588E+03 0.53940E-01 -0.17990E-01 8712 0.255E+01 0.380E-01 RMM: 2 -0.319762632660E+03 -0.41499E-01 -0.17117E-01 5229 0.951E-01 0.200E+00 RMM: 3 -0.319734836759E+03 0.27796E-01 -0.22033E-02 5378 0.353E-01 0.371E-01 RMM: 4 -0.319733904966E+03 0.93179E-03 -0.24192E-03 5272 0.940E-02 0.121E-01 RMM: 5 -0.319733831660E+03 0.73306E-04 -0.21923E-04 3962 0.335E-02 0.109E-01 RMM: 6 -0.319733784354E+03 0.47306E-04 -0.40770E-05 3009 0.191E-02 0.787E-02 RMM: 7 -0.319733818600E+03 -0.34246E-04 -0.51953E-05 3275 0.203E-02 0.108E-01 RMM: 8 -0.319733778731E+03 0.39870E-04 -0.12370E-04 3912 0.244E-02 0.772E-02 RMM: 9 -0.319733742793E+03 0.35937E-04 -0.35859E-05 2983 0.172E-02 0.242E-02 RMM: 10 -0.319733751746E+03 -0.89532E-05 -0.12672E-05 2490 0.110E-02 8058 T= 7370. E= 0.67568733E+03 F= 0.63653524E+03 E0= 0.66514487E+03 EK= 0.60015E+02 SP= -.21E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319908979540E+03 -0.17524E+00 -0.15726E-01 8080 0.255E+01 0.356E-01 RMM: 2 -0.319944882217E+03 -0.35903E-01 -0.17103E-01 4977 0.962E-01 0.177E+00 RMM: 3 -0.319923137014E+03 0.21745E-01 -0.19991E-02 5413 0.323E-01 0.377E-01 RMM: 4 -0.319922193775E+03 0.94324E-03 -0.26192E-03 5283 0.112E-01 0.169E-01 RMM: 5 -0.319922187821E+03 0.59540E-05 -0.39956E-04 3942 0.471E-02 0.166E-01 RMM: 6 -0.319922006622E+03 0.18120E-03 -0.11458E-04 3798 0.295E-02 0.487E-02 RMM: 7 -0.319922017798E+03 -0.11176E-04 -0.32769E-05 2897 0.158E-02 8059 T= 7375. E= 0.67569054E+03 F= 0.63634697E+03 E0= 0.66497472E+03 EK= 0.60059E+02 SP= -.21E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320368159261E+03 -0.44615E+00 -0.14238E-01 7616 0.256E+01 0.230E-01 RMM: 2 -0.320387805085E+03 -0.19646E-01 -0.13562E-01 4979 0.877E-01 0.108E+00 RMM: 3 -0.320379649560E+03 0.81555E-02 -0.15423E-02 5632 0.259E-01 0.203E-01 RMM: 4 -0.320379277223E+03 0.37234E-03 -0.11018E-03 5057 0.671E-02 0.969E-02 RMM: 5 -0.320379235820E+03 0.41404E-04 -0.13453E-04 3922 0.307E-02 0.862E-02 RMM: 6 -0.320379202223E+03 0.33597E-04 -0.32430E-05 2744 0.171E-02 0.557E-02 RMM: 7 -0.320379221915E+03 -0.19692E-04 -0.31659E-05 2753 0.167E-02 8060 T= 7408. E= 0.67568841E+03 F= 0.63588977E+03 E0= 0.66453031E+03 EK= 0.60327E+02 SP= -.21E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321055787410E+03 -0.67659E+00 -0.14305E-01 7576 0.257E+01 0.219E-01 RMM: 2 -0.321074202670E+03 -0.18415E-01 -0.13398E-01 4811 0.891E-01 0.100E+00 RMM: 3 -0.321067314130E+03 0.68885E-02 -0.15719E-02 5699 0.253E-01 0.205E-01 RMM: 4 -0.321066921138E+03 0.39299E-03 -0.96871E-04 4898 0.674E-02 0.107E-01 RMM: 5 -0.321066856707E+03 0.64431E-04 -0.15336E-04 3889 0.346E-02 0.760E-02 RMM: 6 -0.321066825399E+03 0.31308E-04 -0.40943E-05 3009 0.184E-02 0.474E-02 RMM: 7 -0.321066827016E+03 -0.16169E-05 -0.28335E-05 2559 0.168E-02 8061 T= 7464. E= 0.67568231E+03 F= 0.63520216E+03 E0= 0.66384836E+03 EK= 0.60782E+02 SP= -.20E+02 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321879109663E+03 -0.81228E+00 -0.14007E-01 7648 0.260E+01 0.225E-01 RMM: 2 -0.321898014988E+03 -0.18905E-01 -0.15013E-01 4821 0.950E-01 0.929E-01 RMM: 3 -0.321892131428E+03 0.58836E-02 -0.17743E-02 5822 0.259E-01 0.197E-01 RMM: 4 -0.321891717104E+03 0.41432E-03 -0.10128E-03 4884 0.715E-02 0.129E-01 RMM: 5 -0.321891612534E+03 0.10457E-03 -0.16989E-04 3913 0.354E-02 0.864E-02 RMM: 6 -0.321891571371E+03 0.41164E-04 -0.43932E-05 3043 0.193E-02 0.483E-02 RMM: 7 -0.321891565694E+03 0.56767E-05 -0.31333E-05 2573 0.167E-02 8062 T= 7531. E= 0.67567489E+03 F= 0.63437742E+03 E0= 0.66302093E+03 EK= 0.61327E+02 SP= -.20E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322730024982E+03 -0.83845E+00 -0.14259E-01 7664 0.262E+01 0.239E-01 RMM: 2 -0.322751702521E+03 -0.21678E-01 -0.16649E-01 4873 0.996E-01 0.102E+00 RMM: 3 -0.322744519839E+03 0.71827E-02 -0.19525E-02 5863 0.269E-01 0.236E-01 RMM: 4 -0.322743941053E+03 0.57879E-03 -0.10961E-03 4953 0.740E-02 0.125E-01 RMM: 5 -0.322743838616E+03 0.10244E-03 -0.17918E-04 3925 0.358E-02 0.858E-02 RMM: 6 -0.322743806581E+03 0.32035E-04 -0.45349E-05 3096 0.194E-02 0.630E-02 RMM: 7 -0.322743791730E+03 0.14852E-04 -0.46659E-05 2856 0.196E-02 8063 T= 7595. E= 0.67566792E+03 F= 0.63352520E+03 E0= 0.66215703E+03 EK= 0.61852E+02 SP= -.20E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323514921906E+03 -0.77112E+00 -0.14099E-01 7712 0.264E+01 0.212E-01 RMM: 2 -0.323533089733E+03 -0.18168E-01 -0.14841E-01 4944 0.923E-01 0.879E-01 RMM: 3 -0.323527735443E+03 0.53543E-02 -0.16565E-02 5972 0.241E-01 0.198E-01 RMM: 4 -0.323527311384E+03 0.42406E-03 -0.89165E-04 4767 0.709E-02 0.140E-01 RMM: 5 -0.323527167774E+03 0.14361E-03 -0.15944E-04 3880 0.340E-02 0.795E-02 RMM: 6 -0.323527141495E+03 0.26279E-04 -0.32667E-05 2783 0.167E-02 0.572E-02 RMM: 7 -0.323527126746E+03 0.14750E-04 -0.32092E-05 2607 0.166E-02 8064 T= 7645. E= 0.67566249E+03 F= 0.63274186E+03 E0= 0.66135214E+03 EK= 0.62259E+02 SP= -.20E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324160212891E+03 -0.63307E+00 -0.14352E-01 7664 0.265E+01 0.194E-01 RMM: 2 -0.324179217021E+03 -0.19004E-01 -0.15855E-01 4862 0.944E-01 0.847E-01 RMM: 3 -0.324174188189E+03 0.50288E-02 -0.18326E-02 6069 0.245E-01 0.182E-01 RMM: 4 -0.324173703935E+03 0.48425E-03 -0.81385E-04 4829 0.682E-02 0.123E-01 RMM: 5 -0.324173587200E+03 0.11673E-03 -0.13483E-04 3885 0.326E-02 0.730E-02 RMM: 6 -0.324173566420E+03 0.20779E-04 -0.31940E-05 2702 0.165E-02 0.621E-02 RMM: 7 -0.324173538694E+03 0.27726E-04 -0.46439E-05 2863 0.191E-02 0.604E-02 RMM: 8 -0.324173509644E+03 0.29050E-04 -0.35629E-05 2653 0.153E-02 0.315E-02 RMM: 9 -0.324173511102E+03 -0.14580E-05 -0.27426E-05 2552 0.138E-02 8065 T= 7672. E= 0.67565910E+03 F= 0.63209548E+03 E0= 0.66067390E+03 EK= 0.62477E+02 SP= -.19E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324634520791E+03 -0.46101E+00 -0.13973E-01 7696 0.265E+01 0.217E-01 RMM: 2 -0.324651764013E+03 -0.17243E-01 -0.14761E-01 4792 0.922E-01 0.818E-01 RMM: 3 -0.324647142750E+03 0.46213E-02 -0.17158E-02 6061 0.243E-01 0.139E-01 RMM: 4 -0.324646995409E+03 0.14734E-03 -0.88895E-04 4764 0.727E-02 0.212E-01 RMM: 5 -0.324646697334E+03 0.29807E-03 -0.19539E-04 3920 0.393E-02 0.703E-02 RMM: 6 -0.324646665566E+03 0.31768E-04 -0.42092E-05 3036 0.192E-02 0.370E-02 RMM: 7 -0.324646659999E+03 0.55672E-05 -0.22515E-05 2523 0.147E-02 8066 T= 7671. E= 0.67565764E+03 F= 0.63162233E+03 E0= 0.66015835E+03 EK= 0.62470E+02 SP= -.19E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324928250914E+03 -0.28159E+00 -0.13080E-01 7640 0.264E+01 0.162E-01 RMM: 2 -0.324941426911E+03 -0.13176E-01 -0.11059E-01 5045 0.786E-01 0.713E-01 RMM: 3 -0.324937798866E+03 0.36280E-02 -0.11576E-02 6055 0.199E-01 0.152E-01 RMM: 4 -0.324937491712E+03 0.30715E-03 -0.49813E-04 4579 0.553E-02 0.983E-02 RMM: 5 -0.324937411931E+03 0.79781E-04 -0.72434E-05 3437 0.246E-02 0.668E-02 RMM: 6 -0.324937402201E+03 0.97301E-05 -0.27913E-05 2566 0.153E-02 8067 T= 7642. E= 0.67565798E+03 F= 0.63133159E+03 E0= 0.65981638E+03 EK= 0.62230E+02 SP= -.18E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325049066574E+03 -0.11165E+00 -0.14302E-01 7552 0.263E+01 0.286E-01 RMM: 2 -0.325081967291E+03 -0.32901E-01 -0.14989E-01 4832 0.931E-01 0.170E+00 RMM: 3 -0.325061675373E+03 0.20292E-01 -0.18776E-02 5454 0.300E-01 0.264E-01 RMM: 4 -0.325061148872E+03 0.52650E-03 -0.15928E-03 4978 0.805E-02 0.886E-02 RMM: 5 -0.325061116643E+03 0.32229E-04 -0.18951E-04 4074 0.341E-02 0.821E-02 RMM: 6 -0.325061073945E+03 0.42698E-04 -0.34058E-05 2882 0.173E-02 0.441E-02 RMM: 7 -0.325061076713E+03 -0.27688E-05 -0.20694E-05 2517 0.142E-02 8068 T= 7586. E= 0.67565981E+03 F= 0.63120791E+03 E0= 0.65963712E+03 EK= 0.61777E+02 SP= -.18E+02 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325045564572E+03 0.15509E-01 -0.13430E-01 7496 0.261E+01 0.289E-01 RMM: 2 -0.325070367422E+03 -0.24803E-01 -0.10690E-01 5026 0.801E-01 0.154E+00 RMM: 3 -0.325053917864E+03 0.16450E-01 -0.13307E-02 5407 0.267E-01 0.286E-01 RMM: 4 -0.325053362419E+03 0.55545E-03 -0.14991E-03 4883 0.849E-02 0.115E-01 RMM: 5 -0.325053320165E+03 0.42254E-04 -0.18957E-04 3901 0.333E-02 0.107E-01 RMM: 6 -0.325053244750E+03 0.75414E-04 -0.44246E-05 3103 0.204E-02 0.344E-02 RMM: 7 -0.325053244053E+03 0.69760E-06 -0.17630E-05 2518 0.125E-02 8069 T= 7509. E= 0.67566270E+03 F= 0.63121575E+03 E0= 0.65958803E+03 EK= 0.61150E+02 SP= -.17E+02 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324946726264E+03 0.10652E+00 -0.14517E-01 7472 0.259E+01 0.244E-01 RMM: 2 -0.324970648307E+03 -0.23922E-01 -0.14462E-01 4909 0.897E-01 0.127E+00 RMM: 3 -0.324958881078E+03 0.11767E-01 -0.16383E-02 5546 0.263E-01 0.224E-01 RMM: 4 -0.324958417901E+03 0.46318E-03 -0.11171E-03 4877 0.705E-02 0.867E-02 RMM: 5 -0.324958389828E+03 0.28073E-04 -0.15296E-04 4034 0.332E-02 0.799E-02 RMM: 6 -0.324958348272E+03 0.41556E-04 -0.34017E-05 2878 0.175E-02 0.378E-02 RMM: 7 -0.324958356363E+03 -0.80915E-05 -0.24501E-05 2552 0.148E-02 8070 T= 7417. E= 0.67566614E+03 F= 0.63131063E+03 E0= 0.65963027E+03 EK= 0.60400E+02 SP= -.17E+02 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324814237408E+03 0.14411E+00 -0.13270E-01 7536 0.257E+01 0.212E-01 RMM: 2 -0.324828743601E+03 -0.14506E-01 -0.10012E-01 4914 0.769E-01 0.937E-01 RMM: 3 -0.324822446349E+03 0.62973E-02 -0.11488E-02 5616 0.230E-01 0.184E-01 RMM: 4 -0.324822180590E+03 0.26576E-03 -0.78513E-04 4748 0.613E-02 0.984E-02 RMM: 5 -0.324822140790E+03 0.39801E-04 -0.11429E-04 3757 0.295E-02 0.814E-02 RMM: 6 -0.324822098436E+03 0.42354E-04 -0.32064E-05 2847 0.175E-02 0.336E-02 RMM: 7 -0.324822098782E+03 -0.34644E-06 -0.16010E-05 2494 0.127E-02 8071 T= 7316. E= 0.67566868E+03 F= 0.63144689E+03 E0= 0.65972174E+03 EK= 0.59575E+02 SP= -.16E+02 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324672377762E+03 0.14972E+00 -0.13747E-01 7720 0.255E+01 0.171E-01 RMM: 2 -0.324685599873E+03 -0.13222E-01 -0.99844E-02 4936 0.745E-01 0.799E-01 RMM: 3 -0.324680830307E+03 0.47696E-02 -0.10587E-02 5738 0.209E-01 0.157E-01 RMM: 4 -0.324680608766E+03 0.22154E-03 -0.57984E-04 4682 0.554E-02 0.925E-02 RMM: 5 -0.324680554087E+03 0.54679E-04 -0.83504E-05 3546 0.263E-02 0.636E-02 RMM: 6 -0.324680533107E+03 0.20980E-04 -0.24479E-05 2554 0.150E-02 0.406E-02 RMM: 7 -0.324680531595E+03 0.15121E-05 -0.25016E-05 2550 0.149E-02 8072 T= 7211. E= 0.67567066E+03 F= 0.63158846E+03 E0= 0.65982922E+03 EK= 0.58720E+02 SP= -.15E+02 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324551412033E+03 0.12912E+00 -0.13695E-01 7584 0.253E+01 0.172E-01 RMM: 2 -0.324565024425E+03 -0.13612E-01 -0.11374E-01 4868 0.804E-01 0.710E-01 RMM: 3 -0.324561168662E+03 0.38558E-02 -0.12833E-02 5859 0.220E-01 0.147E-01 RMM: 4 -0.324560912991E+03 0.25567E-03 -0.62079E-04 4792 0.572E-02 0.959E-02 RMM: 5 -0.324560861454E+03 0.51537E-04 -0.90272E-05 3617 0.269E-02 0.711E-02 RMM: 6 -0.324560834037E+03 0.27417E-04 -0.27289E-05 2601 0.163E-02 0.368E-02 RMM: 7 -0.324560834992E+03 -0.95518E-06 -0.18101E-05 2506 0.131E-02 8073 T= 7106. E= 0.67567217E+03 F= 0.63170815E+03 E0= 0.65992637E+03 EK= 0.57867E+02 SP= -.15E+02 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324473041271E+03 0.87793E-01 -0.13306E-01 7712 0.251E+01 0.152E-01 RMM: 2 -0.324485421121E+03 -0.12380E-01 -0.10707E-01 4912 0.768E-01 0.642E-01 RMM: 3 -0.324482252113E+03 0.31690E-02 -0.11564E-02 6036 0.204E-01 0.131E-01 RMM: 4 -0.324482023585E+03 0.22853E-03 -0.51182E-04 4630 0.549E-02 0.108E-01 RMM: 5 -0.324481945982E+03 0.77603E-04 -0.80564E-05 3454 0.270E-02 0.576E-02 RMM: 6 -0.324481932001E+03 0.13980E-04 -0.23200E-05 2546 0.144E-02 8074 T= 7004. E= 0.67567319E+03 F= 0.63178706E+03 E0= 0.65999483E+03 EK= 0.57039E+02 SP= -.14E+02 SK= 0.99E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324447010715E+03 0.34935E-01 -0.13019E-01 7720 0.249E+01 0.203E-01 RMM: 2 -0.324464056492E+03 -0.17046E-01 -0.10535E-01 5041 0.757E-01 0.106E+00 RMM: 3 -0.324455887434E+03 0.81691E-02 -0.11567E-02 5572 0.224E-01 0.193E-01 RMM: 4 -0.324455583463E+03 0.30397E-03 -0.82957E-04 4786 0.611E-02 0.827E-02 RMM: 5 -0.324455540225E+03 0.43238E-04 -0.10256E-04 3906 0.256E-02 0.651E-02 RMM: 6 -0.324455523050E+03 0.17176E-04 -0.21673E-05 2554 0.137E-02 8075 T= 6908. E= 0.67567469E+03 F= 0.63181347E+03 E0= 0.66002130E+03 EK= 0.56254E+02 SP= -.13E+02 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324486435449E+03 -0.30895E-01 -0.12498E-01 7648 0.246E+01 0.299E-01 RMM: 2 -0.324514989287E+03 -0.28554E-01 -0.10223E-01 5153 0.768E-01 0.171E+00 RMM: 3 -0.324494470236E+03 0.20519E-01 -0.13642E-02 5386 0.274E-01 0.285E-01 RMM: 4 -0.324493876296E+03 0.59394E-03 -0.15119E-03 4759 0.796E-02 0.864E-02 RMM: 5 -0.324493837664E+03 0.38632E-04 -0.16852E-04 4209 0.297E-02 0.827E-02 RMM: 6 -0.324493800653E+03 0.37010E-04 -0.25904E-05 2628 0.154E-02 0.533E-02 RMM: 7 -0.324493807436E+03 -0.67823E-05 -0.26237E-05 2592 0.160E-02 8076 T= 6819. E= 0.67567596E+03 F= 0.63177518E+03 E0= 0.65999257E+03 EK= 0.55527E+02 SP= -.13E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324603875208E+03 -0.11007E+00 -0.12167E-01 7664 0.244E+01 0.259E-01 RMM: 2 -0.324622248631E+03 -0.18373E-01 -0.10069E-01 5141 0.747E-01 0.121E+00 RMM: 3 -0.324611908162E+03 0.10340E-01 -0.11251E-02 5437 0.236E-01 0.272E-01 RMM: 4 -0.324611467182E+03 0.44098E-03 -0.13441E-03 4707 0.809E-02 0.132E-01 RMM: 5 -0.324611417350E+03 0.49832E-04 -0.20356E-04 3893 0.346E-02 0.111E-01 RMM: 6 -0.324611334064E+03 0.83286E-04 -0.49772E-05 3215 0.213E-02 0.318E-02 RMM: 7 -0.324611335981E+03 -0.19174E-05 -0.17934E-05 2513 0.129E-02 8077 T= 6739. E= 0.67567739E+03 F= 0.63165765E+03 E0= 0.65989290E+03 EK= 0.54877E+02 SP= -.12E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324816591807E+03 -0.20526E+00 -0.11704E-01 7776 0.242E+01 0.249E-01 RMM: 2 -0.324836413100E+03 -0.19821E-01 -0.11033E-01 5190 0.775E-01 0.126E+00 RMM: 3 -0.324825464142E+03 0.10949E-01 -0.12100E-02 5609 0.232E-01 0.197E-01 RMM: 4 -0.324825146980E+03 0.31716E-03 -0.97384E-04 4846 0.635E-02 0.108E-01 RMM: 5 -0.324825070183E+03 0.76797E-04 -0.12799E-04 3865 0.289E-02 0.762E-02 RMM: 6 -0.324825032980E+03 0.37203E-04 -0.31554E-05 2838 0.168E-02 0.414E-02 RMM: 7 -0.324825030712E+03 0.22678E-05 -0.25229E-05 2556 0.149E-02 8078 T= 6670. E= 0.67567815E+03 F= 0.63144396E+03 E0= 0.65970320E+03 EK= 0.54320E+02 SP= -.11E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325136358939E+03 -0.31133E+00 -0.11776E-01 7928 0.241E+01 0.196E-01 RMM: 2 -0.325151057116E+03 -0.14698E-01 -0.10769E-01 5094 0.768E-01 0.897E-01 RMM: 3 -0.325145513290E+03 0.55438E-02 -0.11804E-02 5844 0.208E-01 0.167E-01 RMM: 4 -0.325145193139E+03 0.32015E-03 -0.68873E-04 4824 0.573E-02 0.925E-02 RMM: 5 -0.325145142100E+03 0.51039E-04 -0.96930E-05 3728 0.254E-02 0.638E-02 RMM: 6 -0.325145119995E+03 0.22105E-04 -0.22957E-05 2564 0.147E-02 0.374E-02 RMM: 7 -0.325145121478E+03 -0.14836E-05 -0.17291E-05 2504 0.126E-02 8079 T= 6615. E= 0.67567776E+03 F= 0.63112387E+03 E0= 0.65941193E+03 EK= 0.53870E+02 SP= -.10E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325559864457E+03 -0.41474E+00 -0.12620E-01 7792 0.240E+01 0.186E-01 RMM: 2 -0.325575267297E+03 -0.15403E-01 -0.12453E-01 4964 0.822E-01 0.802E-01 RMM: 3 -0.325570650299E+03 0.46170E-02 -0.13842E-02 6015 0.212E-01 0.149E-01 RMM: 4 -0.325570337680E+03 0.31262E-03 -0.68573E-04 4731 0.616E-02 0.124E-01 RMM: 5 -0.325570243051E+03 0.94629E-04 -0.10972E-04 3689 0.279E-02 0.711E-02 RMM: 6 -0.325570212729E+03 0.30323E-04 -0.29153E-05 2752 0.167E-02 0.315E-02 RMM: 7 -0.325570211648E+03 0.10802E-05 -0.16097E-05 2496 0.122E-02 8080 T= 6573. E= 0.67567610E+03 F= 0.63069878E+03 E0= 0.65902017E+03 EK= 0.53524E+02 SP= -.97E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326073277574E+03 -0.50306E+00 -0.12063E-01 7824 0.239E+01 0.182E-01 RMM: 2 -0.326087294188E+03 -0.14017E-01 -0.10731E-01 4981 0.769E-01 0.839E-01 RMM: 3 -0.326082451733E+03 0.48425E-02 -0.12020E-02 5975 0.207E-01 0.156E-01 RMM: 4 -0.326082133540E+03 0.31819E-03 -0.60073E-04 4801 0.551E-02 0.889E-02 RMM: 5 -0.326082085389E+03 0.48150E-04 -0.87206E-05 3626 0.245E-02 0.671E-02 RMM: 6 -0.326082061299E+03 0.24090E-04 -0.23662E-05 2564 0.150E-02 0.388E-02 RMM: 7 -0.326082061504E+03 -0.20510E-06 -0.21336E-05 2529 0.136E-02 8081 T= 6541. E= 0.67567300E+03 F= 0.63018693E+03 E0= 0.65854477E+03 EK= 0.53265E+02 SP= -.89E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326634189193E+03 -0.55213E+00 -0.12375E-01 7840 0.240E+01 0.158E-01 RMM: 2 -0.326647801056E+03 -0.13612E-01 -0.11862E-01 4823 0.799E-01 0.656E-01 RMM: 3 -0.326644567930E+03 0.32331E-02 -0.13435E-02 6097 0.208E-01 0.136E-01 RMM: 4 -0.326644258520E+03 0.30941E-03 -0.58636E-04 4652 0.586E-02 0.103E-01 RMM: 5 -0.326644189656E+03 0.68865E-04 -0.84919E-05 3514 0.261E-02 0.580E-02 RMM: 6 -0.326644172757E+03 0.16898E-04 -0.22682E-05 2545 0.146E-02 8082 T= 6515. E= 0.67566898E+03 F= 0.62962482E+03 E0= 0.65802175E+03 EK= 0.53058E+02 SP= -.82E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327194905252E+03 -0.55072E+00 -0.12399E-01 7568 0.240E+01 0.163E-01 RMM: 2 -0.327210282780E+03 -0.15378E-01 -0.12393E-01 4779 0.825E-01 0.768E-01 RMM: 3 -0.327205964737E+03 0.43180E-02 -0.14805E-02 5951 0.225E-01 0.162E-01 RMM: 4 -0.327205581464E+03 0.38327E-03 -0.64502E-04 4872 0.571E-02 0.730E-02 RMM: 5 -0.327205540948E+03 0.40515E-04 -0.81949E-05 3637 0.246E-02 0.629E-02 RMM: 6 -0.327205524336E+03 0.16612E-04 -0.21871E-05 2530 0.143E-02 8083 T= 6490. E= 0.67566481E+03 F= 0.62906346E+03 E0= 0.65750107E+03 EK= 0.52852E+02 SP= -.74E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327702312966E+03 -0.49677E+00 -0.11546E-01 7400 0.241E+01 0.276E-01 RMM: 2 -0.327727818214E+03 -0.25505E-01 -0.95584E-02 4914 0.749E-01 0.162E+00 RMM: 3 -0.327709813808E+03 0.18004E-01 -0.13023E-02 5404 0.267E-01 0.268E-01 RMM: 4 -0.327709281112E+03 0.53270E-03 -0.13421E-03 4724 0.754E-02 0.722E-02 RMM: 5 -0.327709262426E+03 0.18686E-04 -0.15440E-04 4395 0.277E-02 8084 T= 6458. E= 0.67566209E+03 F= 0.62855973E+03 E0= 0.65703847E+03 EK= 0.52593E+02 SP= -.67E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328094865702E+03 -0.38558E+00 -0.12116E-01 7648 0.241E+01 0.209E-01 RMM: 2 -0.328116646511E+03 -0.21781E-01 -0.11136E-01 4857 0.780E-01 0.130E+00 RMM: 3 -0.328104497388E+03 0.12149E-01 -0.13223E-02 5450 0.248E-01 0.227E-01 RMM: 4 -0.328104109172E+03 0.38822E-03 -0.11469E-03 4803 0.702E-02 0.928E-02 RMM: 5 -0.328104066303E+03 0.42870E-04 -0.13293E-04 4068 0.292E-02 0.722E-02 RMM: 6 -0.328104041116E+03 0.25187E-04 -0.24853E-05 2574 0.143E-02 0.612E-02 RMM: 7 -0.328104056346E+03 -0.15230E-04 -0.51580E-05 3229 0.199E-02 8085 T= 6414. E= 0.67566017E+03 F= 0.62816493E+03 E0= 0.65668420E+03 EK= 0.52232E+02 SP= -.59E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328346524895E+03 -0.24248E+00 -0.11310E-01 7440 0.241E+01 0.213E-01 RMM: 2 -0.328357702115E+03 -0.11177E-01 -0.83145E-02 4880 0.691E-01 0.809E-01 RMM: 3 -0.328353128200E+03 0.45739E-02 -0.94163E-03 5597 0.204E-01 0.185E-01 RMM: 4 -0.328353072624E+03 0.55576E-04 -0.84830E-04 4679 0.672E-02 0.185E-01 RMM: 5 -0.328352882672E+03 0.18995E-03 -0.18196E-04 3870 0.353E-02 0.914E-02 RMM: 6 -0.328352829992E+03 0.52680E-04 -0.47471E-05 3193 0.211E-02 0.237E-02 RMM: 7 -0.328352842210E+03 -0.12218E-04 -0.16833E-05 2525 0.127E-02 8086 T= 6353. E= 0.67565871E+03 F= 0.62791615E+03 E0= 0.65647296E+03 EK= 0.51735E+02 SP= -.51E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328430033952E+03 -0.77204E-01 -0.11323E-01 7656 0.240E+01 0.202E-01 RMM: 2 -0.328445036858E+03 -0.15003E-01 -0.10130E-01 4941 0.760E-01 0.969E-01 RMM: 3 -0.328438678375E+03 0.63585E-02 -0.11977E-02 5691 0.218E-01 0.187E-01 RMM: 4 -0.328438327289E+03 0.35109E-03 -0.76177E-04 4770 0.600E-02 0.922E-02 RMM: 5 -0.328438271511E+03 0.55778E-04 -0.10610E-04 3814 0.275E-02 0.691E-02 RMM: 6 -0.328438242183E+03 0.29328E-04 -0.25340E-05 2587 0.150E-02 0.496E-02 RMM: 7 -0.328438238070E+03 0.41131E-05 -0.23213E-05 2554 0.142E-02 8087 T= 6274. E= 0.67565853E+03 F= 0.62783075E+03 E0= 0.65642185E+03 EK= 0.51090E+02 SP= -.44E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328352913303E+03 0.85329E-01 -0.11880E-01 7528 0.238E+01 0.166E-01 RMM: 2 -0.328365250760E+03 -0.12337E-01 -0.99478E-02 4838 0.753E-01 0.724E-01 RMM: 3 -0.328361498028E+03 0.37527E-02 -0.11717E-02 5738 0.207E-01 0.138E-01 RMM: 4 -0.328361275211E+03 0.22282E-03 -0.61785E-04 4899 0.538E-02 0.865E-02 RMM: 5 -0.328361236442E+03 0.38769E-04 -0.82371E-05 3578 0.264E-02 0.593E-02 RMM: 6 -0.328361219501E+03 0.16942E-04 -0.24086E-05 2559 0.151E-02 8088 T= 6177. E= 0.67565941E+03 F= 0.62790777E+03 E0= 0.65652802E+03 EK= 0.50302E+02 SP= -.36E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328129658216E+03 0.23158E+00 -0.11369E-01 7584 0.236E+01 0.222E-01 RMM: 2 -0.328145053605E+03 -0.15395E-01 -0.85941E-02 4968 0.698E-01 0.110E+00 RMM: 3 -0.328136643822E+03 0.84098E-02 -0.10192E-02 5425 0.224E-01 0.224E-01 RMM: 4 -0.328136306332E+03 0.33749E-03 -0.92060E-04 4661 0.641E-02 0.885E-02 RMM: 5 -0.328136264126E+03 0.42206E-04 -0.12140E-04 3895 0.272E-02 0.828E-02 RMM: 6 -0.328136223688E+03 0.40438E-04 -0.29160E-05 2729 0.167E-02 0.449E-02 RMM: 7 -0.328136224594E+03 -0.90606E-06 -0.19174E-05 2512 0.134E-02 8089 T= 6065. E= 0.67566154E+03 F= 0.62813276E+03 E0= 0.65677671E+03 EK= 0.49390E+02 SP= -.29E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327783362280E+03 0.35286E+00 -0.10666E-01 7488 0.233E+01 0.233E-01 RMM: 2 -0.327799416162E+03 -0.16054E-01 -0.72704E-02 5107 0.647E-01 0.123E+00 RMM: 3 -0.327789034346E+03 0.10382E-01 -0.84517E-03 5421 0.208E-01 0.229E-01 RMM: 4 -0.327788699666E+03 0.33468E-03 -0.98371E-04 4631 0.682E-02 0.101E-01 RMM: 5 -0.327788687975E+03 0.11691E-04 -0.13917E-04 3865 0.294E-02 8090 T= 5942. E= 0.67566471E+03 F= 0.62848030E+03 E0= 0.65714211E+03 EK= 0.48386E+02 SP= -.22E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327343640675E+03 0.44506E+00 -0.10731E-01 7864 0.229E+01 0.185E-01 RMM: 2 -0.327359549282E+03 -0.15909E-01 -0.91549E-02 5221 0.675E-01 0.107E+00 RMM: 3 -0.327351188532E+03 0.83608E-02 -0.91366E-03 5503 0.201E-01 0.162E-01 RMM: 4 -0.327351003922E+03 0.18461E-03 -0.72539E-04 5094 0.525E-02 0.961E-02 RMM: 5 -0.327350935223E+03 0.68699E-04 -0.64119E-05 3467 0.214E-02 0.754E-02 RMM: 6 -0.327350923888E+03 0.11334E-04 -0.24268E-05 2557 0.148E-02 8091 T= 5811. E= 0.67566835E+03 F= 0.62891807E+03 E0= 0.65759153E+03 EK= 0.47325E+02 SP= -.15E+01 SK= 0.93E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326857259266E+03 0.49368E+00 -0.11226E-01 8240 0.226E+01 0.322E-01 RMM: 2 -0.326889525006E+03 -0.32266E-01 -0.10149E-01 4915 0.736E-01 0.188E+00 RMM: 3 -0.326865109427E+03 0.24416E-01 -0.15775E-02 5381 0.299E-01 0.297E-01 RMM: 4 -0.326864504595E+03 0.60483E-03 -0.18019E-03 5033 0.803E-02 0.875E-02 RMM: 5 -0.326864463905E+03 0.40691E-04 -0.15355E-04 3991 0.300E-02 0.856E-02 RMM: 6 -0.326864425841E+03 0.38064E-04 -0.27948E-05 2674 0.160E-02 0.516E-02 RMM: 7 -0.326864429413E+03 -0.35720E-05 -0.17480E-05 2527 0.135E-02 8092 T= 5680. E= 0.67567215E+03 F= 0.62940456E+03 E0= 0.65808378E+03 EK= 0.46253E+02 SP= -.84E+00 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326377895948E+03 0.48653E+00 -0.11615E-01 8664 0.222E+01 0.370E-01 RMM: 2 -0.326415632083E+03 -0.37736E-01 -0.11623E-01 5070 0.776E-01 0.206E+00 RMM: 3 -0.326386635823E+03 0.28996E-01 -0.17421E-02 5380 0.316E-01 0.378E-01 RMM: 4 -0.326385631261E+03 0.10046E-02 -0.22620E-03 5058 0.991E-02 0.126E-01 RMM: 5 -0.326385650754E+03 -0.19493E-04 -0.29947E-04 3911 0.411E-02 0.147E-01 RMM: 6 -0.326385505288E+03 0.14547E-03 -0.80067E-05 3530 0.257E-02 0.459E-02 RMM: 7 -0.326385500178E+03 0.51102E-05 -0.18981E-05 2556 0.128E-02 8093 T= 5554. E= 0.67567684E+03 F= 0.62988349E+03 E0= 0.65856249E+03 EK= 0.45229E+02 SP= -.20E+00 SK= 0.77E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325971261106E+03 0.41424E+00 -0.12044E-01 8808 0.219E+01 0.259E-01 RMM: 2 -0.325994590013E+03 -0.23329E-01 -0.12261E-01 5017 0.769E-01 0.137E+00 RMM: 3 -0.325981399792E+03 0.13190E-01 -0.14618E-02 5461 0.260E-01 0.249E-01 RMM: 4 -0.325980926578E+03 0.47321E-03 -0.14044E-03 5154 0.703E-02 0.977E-02 RMM: 5 -0.325980865702E+03 0.60877E-04 -0.12522E-04 3779 0.294E-02 0.777E-02 RMM: 6 -0.325980834986E+03 0.30716E-04 -0.25331E-05 2605 0.150E-02 0.547E-02 RMM: 7 -0.325980840630E+03 -0.56440E-05 -0.45202E-05 2961 0.186E-02 8094 T= 5443. E= 0.67568125E+03 F= 0.63028815E+03 E0= 0.65896065E+03 EK= 0.44322E+02 SP= 0.40E+00 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325707380489E+03 0.27345E+00 -0.12461E-01 8888 0.216E+01 0.191E-01 RMM: 2 -0.325724752838E+03 -0.17372E-01 -0.12585E-01 5065 0.769E-01 0.939E-01 RMM: 3 -0.325718025733E+03 0.67271E-02 -0.12589E-02 5754 0.220E-01 0.195E-01 RMM: 4 -0.325717640967E+03 0.38477E-03 -0.82657E-04 4787 0.617E-02 0.876E-02 RMM: 5 -0.325717610043E+03 0.30924E-04 -0.10954E-04 3743 0.267E-02 0.739E-02 RMM: 6 -0.325717581325E+03 0.28718E-04 -0.24843E-05 2629 0.152E-02 0.433E-02 RMM: 7 -0.325717584752E+03 -0.34266E-05 -0.17974E-05 2529 0.131E-02 8095 T= 5354. E= 0.67568474E+03 F= 0.63055140E+03 E0= 0.65921151E+03 EK= 0.43598E+02 SP= 0.96E+00 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325646017210E+03 0.71564E-01 -0.13312E-01 9048 0.215E+01 0.167E-01 RMM: 2 -0.325662211747E+03 -0.16195E-01 -0.13191E-01 5045 0.779E-01 0.783E-01 RMM: 3 -0.325657354219E+03 0.48575E-02 -0.12813E-02 5895 0.215E-01 0.164E-01 RMM: 4 -0.325657024009E+03 0.33021E-03 -0.67296E-04 4846 0.558E-02 0.883E-02 RMM: 5 -0.325656978412E+03 0.45596E-04 -0.87317E-05 3645 0.251E-02 0.656E-02 RMM: 6 -0.325656959479E+03 0.18933E-04 -0.23400E-05 2561 0.146E-02 8096 T= 5295. E= 0.67568712E+03 F= 0.63061203E+03 E0= 0.65925374E+03 EK= 0.43118E+02 SP= 0.15E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325835650983E+03 -0.17867E+00 -0.14386E-01 8952 0.214E+01 0.215E-01 RMM: 2 -0.325858103941E+03 -0.22453E-01 -0.13885E-01 5079 0.807E-01 0.120E+00 RMM: 3 -0.325847527078E+03 0.10577E-01 -0.13586E-02 5560 0.240E-01 0.220E-01 RMM: 4 -0.325847099751E+03 0.42733E-03 -0.10609E-03 5023 0.650E-02 0.835E-02 RMM: 5 -0.325847066124E+03 0.33627E-04 -0.11278E-04 3953 0.260E-02 0.767E-02 RMM: 6 -0.325847048486E+03 0.17639E-04 -0.24791E-05 2569 0.147E-02 8097 T= 5272. E= 0.67568808E+03 F= 0.63042194E+03 E0= 0.65904024E+03 EK= 0.42928E+02 SP= 0.19E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326309858937E+03 -0.46279E+00 -0.14139E-01 8960 0.215E+01 0.390E-01 RMM: 2 -0.326357246424E+03 -0.47387E-01 -0.14352E-01 5165 0.857E-01 0.228E+00 RMM: 3 -0.326320847338E+03 0.36399E-01 -0.20240E-02 5369 0.338E-01 0.393E-01 RMM: 4 -0.326319702767E+03 0.11446E-02 -0.24008E-03 5048 0.993E-02 0.989E-02 RMM: 5 -0.326319679610E+03 0.23156E-04 -0.26783E-04 4196 0.335E-02 0.105E-01 RMM: 6 -0.326319621241E+03 0.58369E-04 -0.36113E-05 2886 0.181E-02 0.630E-02 RMM: 7 -0.326319633769E+03 -0.12528E-04 -0.32567E-05 2777 0.168E-02 8098 T= 5287. E= 0.67568759E+03 F= 0.62994936E+03 E0= 0.65854010E+03 EK= 0.43058E+02 SP= 0.24E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327081236738E+03 -0.76162E+00 -0.13988E-01 8896 0.216E+01 0.356E-01 RMM: 2 -0.327121401035E+03 -0.40164E-01 -0.14527E-01 5059 0.844E-01 0.201E+00 RMM: 3 -0.327092967451E+03 0.28434E-01 -0.19044E-02 5387 0.322E-01 0.392E-01 RMM: 4 -0.327091913745E+03 0.10537E-02 -0.23773E-03 5132 0.102E-01 0.126E-01 RMM: 5 -0.327092011297E+03 -0.97553E-04 -0.35339E-04 3929 0.439E-02 0.174E-01 RMM: 6 -0.327091818402E+03 0.19290E-03 -0.11312E-04 3768 0.301E-02 0.515E-02 RMM: 7 -0.327091820792E+03 -0.23898E-05 -0.27238E-05 2724 0.152E-02 8099 T= 5344. E= 0.67568648E+03 F= 0.62917717E+03 E0= 0.65773714E+03 EK= 0.43522E+02 SP= 0.27E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328156343199E+03 -0.10645E+01 -0.13378E-01 8816 0.218E+01 0.337E-01 RMM: 2 -0.328192895774E+03 -0.36553E-01 -0.14117E-01 5137 0.847E-01 0.191E+00 RMM: 3 -0.328167607730E+03 0.25288E-01 -0.18318E-02 5418 0.305E-01 0.287E-01 RMM: 4 -0.328166985142E+03 0.62259E-03 -0.18789E-03 5071 0.822E-02 0.104E-01 RMM: 5 -0.328166917494E+03 0.67649E-04 -0.18775E-04 3928 0.338E-02 0.922E-02 RMM: 6 -0.328166865312E+03 0.52182E-04 -0.39049E-05 2990 0.186E-02 0.557E-02 RMM: 7 -0.328166867195E+03 -0.18824E-05 -0.25721E-05 2572 0.154E-02 8100 T= 5442. E= 0.67568449E+03 F= 0.62810212E+03 E0= 0.65662993E+03 EK= 0.44321E+02 SP= 0.31E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329522722577E+03 -0.13559E+01 -0.12205E-01 8672 0.221E+01 0.232E-01 RMM: 2 -0.329543149072E+03 -0.20426E-01 -0.12286E-01 5075 0.786E-01 0.119E+00 RMM: 3 -0.329533098779E+03 0.10050E-01 -0.13345E-02 5551 0.241E-01 0.221E-01 RMM: 4 -0.329532685170E+03 0.41361E-03 -0.11006E-03 4816 0.680E-02 0.959E-02 RMM: 5 -0.329532641057E+03 0.44113E-04 -0.13545E-04 3876 0.291E-02 0.782E-02 RMM: 6 -0.329532607421E+03 0.33636E-04 -0.28079E-05 2755 0.159E-02 0.479E-02 RMM: 7 -0.329532610761E+03 -0.33404E-05 -0.17689E-05 2520 0.132E-02 8101 T= 5579. E= 0.67567994E+03 F= 0.62673638E+03 E0= 0.65523055E+03 EK= 0.45436E+02 SP= 0.34E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331137048420E+03 -0.16044E+01 -0.11496E-01 8016 0.225E+01 0.223E-01 RMM: 2 -0.331156087077E+03 -0.19039E-01 -0.12599E-01 4955 0.809E-01 0.109E+00 RMM: 3 -0.331147700434E+03 0.83866E-02 -0.14298E-02 5756 0.238E-01 0.178E-01 RMM: 4 -0.331147386197E+03 0.31424E-03 -0.95463E-04 4821 0.650E-02 0.121E-01 RMM: 5 -0.331147297028E+03 0.89169E-04 -0.13086E-04 3855 0.288E-02 0.781E-02 RMM: 6 -0.331147262916E+03 0.34113E-04 -0.31052E-05 2843 0.167E-02 0.474E-02 RMM: 7 -0.331147261728E+03 0.11872E-05 -0.22662E-05 2562 0.143E-02 8102 T= 5750. E= 0.67567284E+03 F= 0.62512173E+03 E0= 0.65358175E+03 EK= 0.46821E+02 SP= 0.36E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332923167941E+03 -0.17759E+01 -0.10759E-01 7856 0.230E+01 0.178E-01 RMM: 2 -0.332937117431E+03 -0.13949E-01 -0.11149E-01 4874 0.780E-01 0.780E-01 RMM: 3 -0.332932891051E+03 0.42264E-02 -0.12989E-02 5936 0.214E-01 0.155E-01 RMM: 4 -0.332932576246E+03 0.31481E-03 -0.66225E-04 4824 0.573E-02 0.109E-01 RMM: 5 -0.332932495927E+03 0.80319E-04 -0.97898E-05 3671 0.274E-02 0.647E-02 RMM: 6 -0.332932477018E+03 0.18909E-04 -0.25045E-05 2563 0.149E-02 8103 T= 5943. E= 0.67566367E+03 F= 0.62333651E+03 E0= 0.65176099E+03 EK= 0.48393E+02 SP= 0.38E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334769282066E+03 -0.18368E+01 -0.10802E-01 7608 0.234E+01 0.201E-01 RMM: 2 -0.334785998022E+03 -0.16716E-01 -0.11443E-01 4832 0.802E-01 0.991E-01 RMM: 3 -0.334779231519E+03 0.67665E-02 -0.13580E-02 5727 0.229E-01 0.181E-01 RMM: 4 -0.334778881116E+03 0.35040E-03 -0.81412E-04 4895 0.609E-02 0.952E-02 RMM: 5 -0.334778815573E+03 0.65543E-04 -0.10526E-04 3834 0.276E-02 0.687E-02 RMM: 6 -0.334778796964E+03 0.18609E-04 -0.25091E-05 2554 0.145E-02 8104 T= 6145. E= 0.67565438E+03 F= 0.62149019E+03 E0= 0.64987781E+03 EK= 0.50039E+02 SP= 0.40E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336558720921E+03 -0.17799E+01 -0.10713E-01 7568 0.239E+01 0.337E-01 RMM: 2 -0.336592444573E+03 -0.33724E-01 -0.11483E-01 4966 0.836E-01 0.189E+00 RMM: 3 -0.336567672666E+03 0.24772E-01 -0.16808E-02 5384 0.305E-01 0.309E-01 RMM: 4 -0.336566987794E+03 0.68487E-03 -0.18195E-03 4859 0.860E-02 0.994E-02 RMM: 5 -0.336566940362E+03 0.47432E-04 -0.20015E-04 3947 0.338E-02 0.923E-02 RMM: 6 -0.336566889337E+03 0.51025E-04 -0.36325E-05 2818 0.182E-02 0.543E-02 RMM: 7 -0.336566891226E+03 -0.18888E-05 -0.29798E-05 2592 0.167E-02 8105 T= 6341. E= 0.67564574E+03 F= 0.61970210E+03 E0= 0.64805086E+03 EK= 0.51635E+02 SP= 0.42E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338179804359E+03 -0.16129E+01 -0.11169E-01 7568 0.243E+01 0.269E-01 RMM: 2 -0.338203974513E+03 -0.24170E-01 -0.13747E-01 4887 0.881E-01 0.135E+00 RMM: 3 -0.338191478218E+03 0.12496E-01 -0.17010E-02 5495 0.273E-01 0.272E-01 RMM: 4 -0.338190945008E+03 0.53321E-03 -0.15858E-03 4893 0.848E-02 0.125E-01 RMM: 5 -0.338190877998E+03 0.67010E-04 -0.21697E-04 3920 0.361E-02 0.105E-01 RMM: 6 -0.338190807995E+03 0.70003E-04 -0.47621E-05 3143 0.204E-02 0.415E-02 RMM: 7 -0.338190809772E+03 -0.17771E-05 -0.23833E-05 2547 0.148E-02 8106 T= 6517. E= 0.67563926E+03 F= 0.61807818E+03 E0= 0.64638584E+03 EK= 0.53069E+02 SP= 0.44E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339562395780E+03 -0.13716E+01 -0.12073E-01 7560 0.246E+01 0.204E-01 RMM: 2 -0.339582996555E+03 -0.20601E-01 -0.14517E-01 4924 0.879E-01 0.105E+00 RMM: 3 -0.339575066267E+03 0.79303E-02 -0.16626E-02 5740 0.239E-01 0.185E-01 RMM: 4 -0.339574636289E+03 0.42998E-03 -0.94062E-04 4899 0.671E-02 0.104E-01 RMM: 5 -0.339574555288E+03 0.81002E-04 -0.12404E-04 3928 0.291E-02 0.700E-02 RMM: 6 -0.339574535155E+03 0.20132E-04 -0.26049E-05 2559 0.149E-02 0.577E-02 RMM: 7 -0.339574521092E+03 0.14064E-04 -0.27565E-05 2608 0.156E-02 8107 T= 6663. E= 0.67563501E+03 F= 0.61669447E+03 E0= 0.64495707E+03 EK= 0.54259E+02 SP= 0.46E+01 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340666440947E+03 -0.10919E+01 -0.11679E-01 7544 0.248E+01 0.166E-01 RMM: 2 -0.340678005816E+03 -0.11565E-01 -0.94205E-02 4953 0.730E-01 0.699E-01 RMM: 3 -0.340674496648E+03 0.35092E-02 -0.10454E-02 5803 0.199E-01 0.138E-01 RMM: 4 -0.340674280064E+03 0.21658E-03 -0.54702E-04 4705 0.518E-02 0.101E-01 RMM: 5 -0.340674204852E+03 0.75213E-04 -0.79096E-05 3572 0.269E-02 0.610E-02 RMM: 6 -0.340674191913E+03 0.12939E-04 -0.23196E-05 2542 0.141E-02 8108 T= 6773. E= 0.67563298E+03 F= 0.61559480E+03 E0= 0.64381017E+03 EK= 0.55158E+02 SP= 0.48E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341467971472E+03 -0.79377E+00 -0.11180E-01 7568 0.249E+01 0.180E-01 RMM: 2 -0.341480379904E+03 -0.12408E-01 -0.85892E-02 4967 0.688E-01 0.863E-01 RMM: 3 -0.341475106546E+03 0.52734E-02 -0.93386E-03 5654 0.200E-01 0.159E-01 RMM: 4 -0.341474907387E+03 0.19916E-03 -0.60767E-04 4702 0.531E-02 0.944E-02 RMM: 5 -0.341474833472E+03 0.73916E-04 -0.81680E-05 3639 0.263E-02 0.567E-02 RMM: 6 -0.341474823818E+03 0.96540E-05 -0.22874E-05 2540 0.138E-02 8109 T= 6846. E= 0.67563302E+03 F= 0.61479417E+03 E0= 0.64296038E+03 EK= 0.55746E+02 SP= 0.50E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.341978783824E+03 -0.50395E+00 -0.11006E-01 7424 0.249E+01 0.224E-01 RMM: 2 -0.341994949353E+03 -0.16166E-01 -0.69254E-02 5199 0.629E-01 0.123E+00 RMM: 3 -0.341984122965E+03 0.10826E-01 -0.80532E-03 5396 0.209E-01 0.212E-01 RMM: 4 -0.341983810247E+03 0.31272E-03 -0.85053E-04 4666 0.616E-02 0.916E-02 RMM: 5 -0.341983749507E+03 0.60740E-04 -0.97585E-05 3805 0.271E-02 0.673E-02 RMM: 6 -0.341983726140E+03 0.23367E-04 -0.22843E-05 2557 0.145E-02 0.505E-02 RMM: 7 -0.341983721440E+03 0.46997E-05 -0.34026E-05 2657 0.172E-02 8110 T= 6880. E= 0.67563362E+03 F= 0.61428527E+03 E0= 0.64240217E+03 EK= 0.56027E+02 SP= 0.52E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342218478842E+03 -0.23475E+00 -0.11531E-01 7520 0.248E+01 0.216E-01 RMM: 2 -0.342232353278E+03 -0.13874E-01 -0.85207E-02 4867 0.706E-01 0.100E+00 RMM: 3 -0.342225262213E+03 0.70911E-02 -0.10061E-02 5523 0.222E-01 0.200E-01 RMM: 4 -0.342224992806E+03 0.26941E-03 -0.86925E-04 4673 0.643E-02 0.974E-02 RMM: 5 -0.342224941037E+03 0.51769E-04 -0.11699E-04 3804 0.290E-02 0.745E-02 RMM: 6 -0.342224908859E+03 0.32178E-04 -0.26794E-05 2608 0.159E-02 0.353E-02 RMM: 7 -0.342224910091E+03 -0.12322E-05 -0.17434E-05 2504 0.133E-02 8111 T= 6880. E= 0.67563558E+03 F= 0.61404408E+03 E0= 0.64211339E+03 EK= 0.56026E+02 SP= 0.55E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342230953477E+03 -0.60446E-02 -0.10781E-01 7392 0.247E+01 0.148E-01 RMM: 2 -0.342240652400E+03 -0.96989E-02 -0.69901E-02 5099 0.602E-01 0.726E-01 RMM: 3 -0.342236556905E+03 0.40955E-02 -0.65004E-03 5697 0.168E-01 0.134E-01 RMM: 4 -0.342236431910E+03 0.12499E-03 -0.42158E-04 4457 0.466E-02 0.883E-02 RMM: 5 -0.342236368012E+03 0.63898E-04 -0.54582E-05 3212 0.227E-02 0.501E-02 RMM: 6 -0.342236360188E+03 0.78240E-05 -0.21009E-05 2516 0.137E-02 8112 T= 6850. E= 0.67563903E+03 F= 0.61403263E+03 E0= 0.64205708E+03 EK= 0.55782E+02 SP= 0.57E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342059535692E+03 0.17683E+00 -0.10748E-01 7392 0.245E+01 0.170E-01 RMM: 2 -0.342070516582E+03 -0.10981E-01 -0.65226E-02 5003 0.603E-01 0.882E-01 RMM: 3 -0.342064779184E+03 0.57374E-02 -0.71196E-03 5490 0.184E-01 0.162E-01 RMM: 4 -0.342064588739E+03 0.19045E-03 -0.54956E-04 4682 0.501E-02 0.696E-02 RMM: 5 -0.342064554476E+03 0.34262E-04 -0.55387E-05 3242 0.219E-02 0.562E-02 RMM: 6 -0.342064543138E+03 0.11338E-04 -0.23288E-05 2523 0.150E-02 8113 T= 6796. E= 0.67564279E+03 F= 0.61420445E+03 E0= 0.64218976E+03 EK= 0.55343E+02 SP= 0.60E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341752861303E+03 0.31169E+00 -0.10517E-01 6992 0.243E+01 0.279E-01 RMM: 2 -0.341776677840E+03 -0.23817E-01 -0.68631E-02 4958 0.653E-01 0.163E+00 RMM: 3 -0.341757907952E+03 0.18770E-01 -0.10903E-02 5391 0.255E-01 0.250E-01 RMM: 4 -0.341757456776E+03 0.45118E-03 -0.11438E-03 4679 0.696E-02 0.757E-02 RMM: 5 -0.341757427626E+03 0.29150E-04 -0.11405E-04 3947 0.272E-02 0.742E-02 RMM: 6 -0.341757396114E+03 0.31512E-04 -0.22235E-05 2560 0.143E-02 0.458E-02 RMM: 7 -0.341757399938E+03 -0.38241E-05 -0.22599E-05 2561 0.150E-02 8114 T= 6724. E= 0.67564624E+03 F= 0.61451159E+03 E0= 0.64246436E+03 EK= 0.54758E+02 SP= 0.62E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341353112810E+03 0.40428E+00 -0.10173E-01 7120 0.241E+01 0.246E-01 RMM: 2 -0.341368821654E+03 -0.15709E-01 -0.62860E-02 4880 0.625E-01 0.126E+00 RMM: 3 -0.341357912872E+03 0.10909E-01 -0.91572E-03 5367 0.229E-01 0.264E-01 RMM: 4 -0.341357441791E+03 0.47108E-03 -0.10532E-03 4646 0.713E-02 0.760E-02 RMM: 5 -0.341357474461E+03 -0.32671E-04 -0.14688E-04 3868 0.308E-02 0.107E-01 RMM: 6 -0.341357398839E+03 0.75623E-04 -0.39818E-05 3051 0.196E-02 0.260E-02 RMM: 7 -0.341357398399E+03 0.44020E-06 -0.12570E-05 2484 0.113E-02 8115 T= 6640. E= 0.67564945E+03 F= 0.61491159E+03 E0= 0.64284086E+03 EK= 0.54075E+02 SP= 0.65E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340891808451E+03 0.46559E+00 -0.10092E-01 7400 0.239E+01 0.192E-01 RMM: 2 -0.340904533793E+03 -0.12725E-01 -0.66641E-02 4886 0.630E-01 0.103E+00 RMM: 3 -0.340897202537E+03 0.73313E-02 -0.81729E-03 5452 0.200E-01 0.162E-01 RMM: 4 -0.340897013855E+03 0.18868E-03 -0.63699E-04 4728 0.519E-02 0.701E-02 RMM: 5 -0.340896977928E+03 0.35927E-04 -0.71430E-05 3484 0.240E-02 0.589E-02 RMM: 6 -0.340896957744E+03 0.20184E-04 -0.22650E-05 2542 0.145E-02 0.348E-02 RMM: 7 -0.340896957424E+03 0.31984E-06 -0.18494E-05 2514 0.126E-02 8116 T= 6549. E= 0.67565134E+03 F= 0.61537203E+03 E0= 0.64328765E+03 EK= 0.53329E+02 SP= 0.68E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340387067536E+03 0.50989E+00 -0.10214E-01 7616 0.237E+01 0.148E-01 RMM: 2 -0.340396079185E+03 -0.90116E-02 -0.75485E-02 4806 0.670E-01 0.611E-01 RMM: 3 -0.340393460386E+03 0.26188E-02 -0.87804E-03 5715 0.183E-01 0.858E-02 RMM: 4 -0.340393371836E+03 0.88550E-04 -0.47768E-04 4773 0.483E-02 0.867E-02 RMM: 5 -0.340393326914E+03 0.44921E-04 -0.54431E-05 3197 0.228E-02 0.480E-02 RMM: 6 -0.340393315250E+03 0.11664E-04 -0.20439E-05 2520 0.140E-02 8117 T= 6452. E= 0.67565250E+03 F= 0.61587567E+03 E0= 0.64378855E+03 EK= 0.52540E+02 SP= 0.71E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339841810725E+03 0.55152E+00 -0.11245E-01 7528 0.236E+01 0.165E-01 RMM: 2 -0.339857448472E+03 -0.15638E-01 -0.12334E-01 4672 0.838E-01 0.801E-01 RMM: 3 -0.339852666007E+03 0.47825E-02 -0.14116E-02 5824 0.220E-01 0.131E-01 RMM: 4 -0.339852376701E+03 0.28931E-03 -0.70040E-04 5004 0.593E-02 0.722E-02 RMM: 5 -0.339852342169E+03 0.34532E-04 -0.81792E-05 3573 0.257E-02 0.526E-02 RMM: 6 -0.339852329583E+03 0.12586E-04 -0.20978E-05 2516 0.139E-02 8118 T= 6351. E= 0.67565385E+03 F= 0.61641666E+03 E0= 0.64433829E+03 EK= 0.51721E+02 SP= 0.74E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339270510389E+03 0.58183E+00 -0.98956E-02 7376 0.235E+01 0.237E-01 RMM: 2 -0.339287956686E+03 -0.17446E-01 -0.81503E-02 4881 0.708E-01 0.125E+00 RMM: 3 -0.339277017646E+03 0.10939E-01 -0.10744E-02 5416 0.235E-01 0.203E-01 RMM: 4 -0.339276703347E+03 0.31430E-03 -0.96093E-04 4795 0.633E-02 0.640E-02 RMM: 5 -0.339276688169E+03 0.15178E-04 -0.10251E-04 4007 0.249E-02 8119 T= 6248. E= 0.67565615E+03 F= 0.61699230E+03 E0= 0.64493424E+03 EK= 0.50878E+02 SP= 0.76E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338663307839E+03 0.61340E+00 -0.10221E-01 7512 0.233E+01 0.171E-01 RMM: 2 -0.338677242625E+03 -0.13935E-01 -0.95449E-02 4763 0.742E-01 0.876E-01 RMM: 3 -0.338671706129E+03 0.55365E-02 -0.11474E-02 5666 0.214E-01 0.173E-01 RMM: 4 -0.338671407938E+03 0.29819E-03 -0.70083E-04 4756 0.578E-02 0.718E-02 RMM: 5 -0.338671383719E+03 0.24220E-04 -0.84624E-05 3761 0.242E-02 0.625E-02 RMM: 6 -0.338671368972E+03 0.14747E-04 -0.20135E-05 2525 0.133E-02 8120 T= 6142. E= 0.67565868E+03 F= 0.61759762E+03 E0= 0.64556992E+03 EK= 0.50019E+02 SP= 0.79E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338042846625E+03 0.62854E+00 -0.99806E-02 7408 0.231E+01 0.286E-01 RMM: 2 -0.338060844262E+03 -0.17998E-01 -0.74745E-02 4967 0.677E-01 0.135E+00 RMM: 3 -0.338048185241E+03 0.12659E-01 -0.11217E-02 5348 0.255E-01 0.223E-01 RMM: 4 -0.338047854387E+03 0.33085E-03 -0.11605E-03 4772 0.663E-02 0.847E-02 RMM: 5 -0.338047855407E+03 -0.10203E-05 -0.13949E-04 3831 0.303E-02 8121 T= 6037. E= 0.67566241E+03 F= 0.61822113E+03 E0= 0.64623252E+03 EK= 0.49161E+02 SP= 0.82E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337422250227E+03 0.62560E+00 -0.10256E-01 7488 0.230E+01 0.216E-01 RMM: 2 -0.337438259882E+03 -0.16010E-01 -0.83632E-02 5038 0.688E-01 0.113E+00 RMM: 3 -0.337429273740E+03 0.89861E-02 -0.10245E-02 5481 0.217E-01 0.190E-01 RMM: 4 -0.337428991144E+03 0.28260E-03 -0.88548E-04 4721 0.610E-02 0.965E-02 RMM: 5 -0.337428930924E+03 0.60220E-04 -0.10797E-04 3881 0.270E-02 0.626E-02 RMM: 6 -0.337428908713E+03 0.22211E-04 -0.22482E-05 2554 0.142E-02 0.389E-02 RMM: 7 -0.337428911058E+03 -0.23457E-05 -0.18899E-05 2537 0.129E-02 8122 T= 5935. E= 0.67566681E+03 F= 0.61884008E+03 E0= 0.64689556E+03 EK= 0.48328E+02 SP= 0.84E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336840791654E+03 0.58812E+00 -0.10261E-01 7696 0.228E+01 0.184E-01 RMM: 2 -0.336852583400E+03 -0.11792E-01 -0.81000E-02 4769 0.686E-01 0.853E-01 RMM: 3 -0.336847527764E+03 0.50556E-02 -0.96500E-03 5649 0.199E-01 0.146E-01 RMM: 4 -0.336847331354E+03 0.19641E-03 -0.63332E-04 4747 0.542E-02 0.889E-02 RMM: 5 -0.336847298332E+03 0.33023E-04 -0.88314E-05 3626 0.251E-02 0.650E-02 RMM: 6 -0.336847271958E+03 0.26374E-04 -0.23051E-05 2574 0.148E-02 0.203E-02 RMM: 7 -0.336847273896E+03 -0.19381E-05 -0.92109E-06 2470 0.989E-03 8123 T= 5840. E= 0.67567042E+03 F= 0.61942172E+03 E0= 0.64752511E+03 EK= 0.47554E+02 SP= 0.86E+01 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336332289480E+03 0.51498E+00 -0.98298E-02 7832 0.226E+01 0.163E-01 RMM: 2 -0.336341879345E+03 -0.95899E-02 -0.74477E-02 5005 0.654E-01 0.707E-01 RMM: 3 -0.336338501577E+03 0.33778E-02 -0.83794E-03 5849 0.175E-01 0.130E-01 RMM: 4 -0.336338312609E+03 0.18897E-03 -0.47188E-04 4531 0.495E-02 0.973E-02 RMM: 5 -0.336338246380E+03 0.66228E-04 -0.70023E-05 3456 0.244E-02 0.512E-02 RMM: 6 -0.336338232902E+03 0.13478E-04 -0.18637E-05 2524 0.127E-02 8124 T= 5757. E= 0.67567365E+03 F= 0.61993076E+03 E0= 0.64808189E+03 EK= 0.46879E+02 SP= 0.88E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335925511766E+03 0.41273E+00 -0.10139E-01 7648 0.224E+01 0.126E-01 RMM: 2 -0.335935349409E+03 -0.98376E-02 -0.80502E-02 4942 0.653E-01 0.612E-01 RMM: 3 -0.335932546403E+03 0.28030E-02 -0.86732E-03 5882 0.168E-01 0.109E-01 RMM: 4 -0.335932357240E+03 0.18916E-03 -0.38637E-04 4506 0.448E-02 0.650E-02 RMM: 5 -0.335932328141E+03 0.29099E-04 -0.44266E-05 2875 0.208E-02 0.457E-02 RMM: 6 -0.335932323776E+03 0.43651E-05 -0.19620E-05 2504 0.135E-02 8125 T= 5690. E= 0.67567598E+03 F= 0.62033667E+03 E0= 0.64853328E+03 EK= 0.46333E+02 SP= 0.90E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335645799663E+03 0.28653E+00 -0.95382E-02 7664 0.224E+01 0.276E-01 RMM: 2 -0.335665594618E+03 -0.19795E-01 -0.65492E-02 5034 0.629E-01 0.147E+00 RMM: 3 -0.335650584415E+03 0.15010E-01 -0.98886E-03 5366 0.239E-01 0.255E-01 RMM: 4 -0.335650108744E+03 0.47567E-03 -0.11093E-03 4636 0.690E-02 0.737E-02 RMM: 5 -0.335650118561E+03 -0.98168E-05 -0.14066E-04 3870 0.304E-02 8126 T= 5641. E= 0.67567821E+03 F= 0.62061887E+03 E0= 0.64885622E+03 EK= 0.45939E+02 SP= 0.91E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335491447328E+03 0.15866E+00 -0.96600E-02 7688 0.223E+01 0.185E-01 RMM: 2 -0.335504458397E+03 -0.13011E-01 -0.67946E-02 5045 0.608E-01 0.101E+00 RMM: 3 -0.335497118496E+03 0.73399E-02 -0.79236E-03 5415 0.197E-01 0.190E-01 RMM: 4 -0.335496867583E+03 0.25091E-03 -0.72747E-04 4882 0.535E-02 0.745E-02 RMM: 5 -0.335496832036E+03 0.35548E-04 -0.78098E-05 3591 0.242E-02 0.608E-02 RMM: 6 -0.335496811345E+03 0.20691E-04 -0.19190E-05 2528 0.131E-02 0.401E-02 RMM: 7 -0.335496813397E+03 -0.20527E-05 -0.17518E-05 2526 0.124E-02 8127 T= 5612. E= 0.67567917E+03 F= 0.62077218E+03 E0= 0.64904520E+03 EK= 0.45701E+02 SP= 0.92E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335454880179E+03 0.41931E-01 -0.98773E-02 7800 0.224E+01 0.200E-01 RMM: 2 -0.335467183504E+03 -0.12303E-01 -0.73963E-02 4800 0.651E-01 0.957E-01 RMM: 3 -0.335460898990E+03 0.62845E-02 -0.89113E-03 5552 0.198E-01 0.171E-01 RMM: 4 -0.335460681347E+03 0.21764E-03 -0.69925E-04 4706 0.560E-02 0.886E-02 RMM: 5 -0.335460669462E+03 0.11885E-04 -0.10580E-04 3718 0.271E-02 8128 T= 5601. E= 0.67567910E+03 F= 0.62080832E+03 E0= 0.64910830E+03 EK= 0.45610E+02 SP= 0.93E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335507192151E+03 -0.46511E-01 -0.97191E-02 7808 0.224E+01 0.119E-01 RMM: 2 -0.335515287908E+03 -0.80958E-02 -0.71843E-02 4982 0.644E-01 0.511E-01 RMM: 3 -0.335513517240E+03 0.17707E-02 -0.78052E-03 6093 0.160E-01 0.106E-01 RMM: 4 -0.335513350510E+03 0.16673E-03 -0.34298E-04 4300 0.474E-02 0.868E-02 RMM: 5 -0.335513292889E+03 0.57621E-04 -0.56215E-05 3268 0.232E-02 0.502E-02 RMM: 6 -0.335513284015E+03 0.88743E-05 -0.19709E-05 2516 0.127E-02 8129 T= 5604. E= 0.67567787E+03 F= 0.62075571E+03 E0= 0.64907430E+03 EK= 0.45636E+02 SP= 0.93E+01 SK= 0.31E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335603809398E+03 -0.90517E-01 -0.10693E-01 7624 0.225E+01 0.177E-01 RMM: 2 -0.335619413554E+03 -0.15604E-01 -0.10777E-01 4680 0.789E-01 0.924E-01 RMM: 3 -0.335613238242E+03 0.61753E-02 -0.12799E-02 5718 0.218E-01 0.168E-01 RMM: 4 -0.335612905057E+03 0.33319E-03 -0.73960E-04 4970 0.579E-02 0.560E-02 RMM: 5 -0.335612888281E+03 0.16776E-04 -0.88025E-05 3668 0.257E-02 8130 T= 5617. E= 0.67567578E+03 F= 0.62065610E+03 E0= 0.64898517E+03 EK= 0.45738E+02 SP= 0.93E+01 SK= 0.95E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335707344827E+03 -0.94440E-01 -0.96776E-02 7632 0.226E+01 0.183E-01 RMM: 2 -0.335719998713E+03 -0.12654E-01 -0.77505E-02 4955 0.686E-01 0.956E-01 RMM: 3 -0.335713864318E+03 0.61344E-02 -0.90484E-03 5651 0.195E-01 0.176E-01 RMM: 4 -0.335713608057E+03 0.25626E-03 -0.66538E-04 4655 0.584E-02 0.876E-02 RMM: 5 -0.335713555440E+03 0.52616E-04 -0.91062E-05 3731 0.243E-02 0.664E-02 RMM: 6 -0.335713534495E+03 0.20945E-04 -0.21787E-05 2549 0.142E-02 0.427E-02 RMM: 7 -0.335713530786E+03 0.37092E-05 -0.24575E-05 2532 0.151E-02 8131 T= 5633. E= 0.67567337E+03 F= 0.62055546E+03 E0= 0.64888664E+03 EK= 0.45869E+02 SP= 0.92E+01 SK= 0.61E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335761082861E+03 -0.47548E-01 -0.10741E-01 7600 0.226E+01 0.184E-01 RMM: 2 -0.335775041028E+03 -0.13958E-01 -0.10660E-01 4831 0.778E-01 0.822E-01 RMM: 3 -0.335770270874E+03 0.47702E-02 -0.12185E-02 5901 0.201E-01 0.163E-01 RMM: 4 -0.335769947065E+03 0.32381E-03 -0.68668E-04 4758 0.615E-02 0.954E-02 RMM: 5 -0.335769897799E+03 0.49266E-04 -0.95549E-05 3662 0.256E-02 0.529E-02 RMM: 6 -0.335769881790E+03 0.16008E-04 -0.22420E-05 2552 0.145E-02 8132 T= 5647. E= 0.67567117E+03 F= 0.62049911E+03 E0= 0.64882624E+03 EK= 0.45986E+02 SP= 0.92E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335737087743E+03 0.32810E-01 -0.98135E-02 7552 0.227E+01 0.176E-01 RMM: 2 -0.335749224514E+03 -0.12137E-01 -0.78387E-02 4966 0.681E-01 0.888E-01 RMM: 3 -0.335743756246E+03 0.54683E-02 -0.90974E-03 5593 0.193E-01 0.135E-01 RMM: 4 -0.335743610583E+03 0.14566E-03 -0.59216E-04 4701 0.530E-02 0.961E-02 RMM: 5 -0.335743534158E+03 0.76425E-04 -0.82305E-05 3698 0.244E-02 0.481E-02 RMM: 6 -0.335743524884E+03 0.92736E-05 -0.19374E-05 2522 0.127E-02 8133 T= 5655. E= 0.67567024E+03 F= 0.62052546E+03 E0= 0.64884301E+03 EK= 0.46049E+02 SP= 0.91E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335602458846E+03 0.14108E+00 -0.95751E-02 7416 0.227E+01 0.188E-01 RMM: 2 -0.335616055108E+03 -0.13596E-01 -0.71888E-02 4970 0.653E-01 0.105E+00 RMM: 3 -0.335608452282E+03 0.76028E-02 -0.84392E-03 5484 0.197E-01 0.187E-01 RMM: 4 -0.335608172884E+03 0.27940E-03 -0.68681E-04 4735 0.552E-02 0.579E-02 RMM: 5 -0.335608158984E+03 0.13901E-04 -0.83023E-05 3729 0.235E-02 8134 T= 5653. E= 0.67567061E+03 F= 0.62066083E+03 E0= 0.64896655E+03 EK= 0.46033E+02 SP= 0.89E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335347766168E+03 0.26041E+00 -0.93762E-02 7544 0.227E+01 0.163E-01 RMM: 2 -0.335357252802E+03 -0.94866E-02 -0.66133E-02 5051 0.627E-01 0.757E-01 RMM: 3 -0.335353360233E+03 0.38926E-02 -0.73646E-03 5568 0.177E-01 0.172E-01 RMM: 4 -0.335353127433E+03 0.23280E-03 -0.50874E-04 4646 0.488E-02 0.717E-02 RMM: 5 -0.335353087821E+03 0.39612E-04 -0.60484E-05 3377 0.210E-02 0.600E-02 RMM: 6 -0.335353073579E+03 0.14242E-04 -0.19729E-05 2517 0.136E-02 8135 T= 5640. E= 0.67567192E+03 F= 0.62091592E+03 E0= 0.64920848E+03 EK= 0.45926E+02 SP= 0.88E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334979105607E+03 0.37398E+00 -0.93306E-02 7480 0.226E+01 0.229E-01 RMM: 2 -0.334992160648E+03 -0.13055E-01 -0.68136E-02 4944 0.640E-01 0.107E+00 RMM: 3 -0.334984379485E+03 0.77812E-02 -0.89719E-03 5376 0.218E-01 0.193E-01 RMM: 4 -0.334984135660E+03 0.24382E-03 -0.83341E-04 4759 0.571E-02 0.725E-02 RMM: 5 -0.334984123361E+03 0.12299E-04 -0.97814E-05 3749 0.260E-02 8136 T= 5616. E= 0.67567458E+03 F= 0.62128487E+03 E0= 0.64956489E+03 EK= 0.45735E+02 SP= 0.86E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334516916626E+03 0.46722E+00 -0.97685E-02 7672 0.225E+01 0.200E-01 RMM: 2 -0.334531289303E+03 -0.14373E-01 -0.77602E-02 4907 0.669E-01 0.106E+00 RMM: 3 -0.334523511070E+03 0.77782E-02 -0.93570E-03 5466 0.206E-01 0.184E-01 RMM: 4 -0.334523247946E+03 0.26312E-03 -0.79708E-04 4680 0.610E-02 0.922E-02 RMM: 5 -0.334523208430E+03 0.39516E-04 -0.10602E-04 3837 0.265E-02 0.710E-02 RMM: 6 -0.334523179963E+03 0.28467E-04 -0.24783E-05 2572 0.153E-02 0.365E-02 RMM: 7 -0.334523186813E+03 -0.68501E-05 -0.21709E-05 2535 0.139E-02 8137 T= 5585. E= 0.67567833E+03 F= 0.62174580E+03 E0= 0.65001424E+03 EK= 0.45481E+02 SP= 0.83E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334000233793E+03 0.52295E+00 -0.10365E-01 7672 0.223E+01 0.162E-01 RMM: 2 -0.334012069343E+03 -0.11836E-01 -0.94134E-02 4702 0.740E-01 0.719E-01 RMM: 3 -0.334008327990E+03 0.37414E-02 -0.10927E-02 5838 0.196E-01 0.137E-01 RMM: 4 -0.334008109081E+03 0.21891E-03 -0.60196E-04 4667 0.582E-02 0.101E-01 RMM: 5 -0.334008058131E+03 0.50950E-04 -0.87747E-05 3547 0.261E-02 0.578E-02 RMM: 6 -0.334008037839E+03 0.20292E-04 -0.22183E-05 2550 0.145E-02 0.172E-02 RMM: 7 -0.334008039085E+03 -0.12466E-05 -0.82096E-06 2468 0.949E-03 8138 T= 5551. E= 0.67568225E+03 F= 0.62226095E+03 E0= 0.65051891E+03 EK= 0.45202E+02 SP= 0.81E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333482064614E+03 0.52597E+00 -0.99202E-02 7672 0.222E+01 0.128E-01 RMM: 2 -0.333491341328E+03 -0.92767E-02 -0.79565E-02 4839 0.676E-01 0.565E-01 RMM: 3 -0.333489031502E+03 0.23098E-02 -0.90042E-03 5936 0.174E-01 0.110E-01 RMM: 4 -0.333488852254E+03 0.17925E-03 -0.38513E-04 4482 0.482E-02 0.874E-02 RMM: 5 -0.333488792330E+03 0.59924E-04 -0.56391E-05 3242 0.237E-02 0.438E-02 RMM: 6 -0.333488784585E+03 0.77444E-05 -0.19571E-05 2514 0.129E-02 8139 T= 5520. E= 0.67568653E+03 F= 0.62278020E+03 E0= 0.65102944E+03 EK= 0.44949E+02 SP= 0.77E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333016305197E+03 0.47249E+00 -0.94123E-02 7536 0.221E+01 0.166E-01 RMM: 2 -0.333027846997E+03 -0.11542E-01 -0.75430E-02 4806 0.668E-01 0.852E-01 RMM: 3 -0.333022761556E+03 0.50854E-02 -0.91622E-03 5630 0.194E-01 0.132E-01 RMM: 4 -0.333022576506E+03 0.18505E-03 -0.55816E-04 4765 0.508E-02 0.710E-02 RMM: 5 -0.333022551599E+03 0.24906E-04 -0.68255E-05 3484 0.236E-02 0.533E-02 RMM: 6 -0.333022538469E+03 0.13131E-04 -0.19764E-05 2527 0.134E-02 8140 T= 5499. E= 0.67569109E+03 F= 0.62324645E+03 E0= 0.65148904E+03 EK= 0.44779E+02 SP= 0.74E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332664485472E+03 0.35807E+00 -0.93794E-02 7352 0.220E+01 0.250E-01 RMM: 2 -0.332682447090E+03 -0.17962E-01 -0.72543E-02 4906 0.672E-01 0.133E+00 RMM: 3 -0.332670217088E+03 0.12230E-01 -0.10047E-02 5385 0.235E-01 0.243E-01 RMM: 4 -0.332669783326E+03 0.43376E-03 -0.10157E-03 4673 0.664E-02 0.757E-02 RMM: 5 -0.332669773496E+03 0.98299E-05 -0.12532E-04 3859 0.292E-02 8141 T= 5496. E= 0.67569611E+03 F= 0.62359922E+03 E0= 0.65183707E+03 EK= 0.44756E+02 SP= 0.70E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332481708629E+03 0.18807E+00 -0.92827E-02 7520 0.220E+01 0.177E-01 RMM: 2 -0.332494812544E+03 -0.13104E-01 -0.69223E-02 5040 0.630E-01 0.101E+00 RMM: 3 -0.332487624663E+03 0.71879E-02 -0.79895E-03 5428 0.195E-01 0.178E-01 RMM: 4 -0.332487396929E+03 0.22773E-03 -0.68171E-04 4725 0.539E-02 0.757E-02 RMM: 5 -0.332487364889E+03 0.32041E-04 -0.78160E-05 3643 0.233E-02 0.668E-02 RMM: 6 -0.332487342709E+03 0.22179E-04 -0.22277E-05 2536 0.145E-02 0.430E-02 RMM: 7 -0.332487352960E+03 -0.10251E-04 -0.26869E-05 2605 0.146E-02 8142 T= 5518. E= 0.67570036E+03 F= 0.62378164E+03 E0= 0.65201684E+03 EK= 0.44935E+02 SP= 0.66E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332516122777E+03 -0.28780E-01 -0.95813E-02 7592 0.221E+01 0.206E-01 RMM: 2 -0.332527586498E+03 -0.11464E-01 -0.82101E-02 4768 0.698E-01 0.825E-01 RMM: 3 -0.332522878331E+03 0.47082E-02 -0.98834E-03 5652 0.200E-01 0.156E-01 RMM: 4 -0.332522746111E+03 0.13222E-03 -0.72531E-04 4680 0.612E-02 0.145E-01 RMM: 5 -0.332522660431E+03 0.85680E-04 -0.13256E-04 3759 0.303E-02 0.944E-02 RMM: 6 -0.332522602224E+03 0.58207E-04 -0.41084E-05 3091 0.196E-02 0.190E-02 RMM: 7 -0.332522606786E+03 -0.45614E-05 -0.12020E-05 2479 0.108E-02 8143 T= 5571. E= 0.67570273E+03 F= 0.62374638E+03 E0= 0.65198197E+03 EK= 0.45364E+02 SP= 0.61E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332799467864E+03 -0.27687E+00 -0.97243E-02 7688 0.222E+01 0.149E-01 RMM: 2 -0.332809992445E+03 -0.10525E-01 -0.86581E-02 4880 0.713E-01 0.662E-01 RMM: 3 -0.332807098209E+03 0.28942E-02 -0.10122E-02 6001 0.185E-01 0.123E-01 RMM: 4 -0.332806867944E+03 0.23027E-03 -0.44808E-04 4585 0.509E-02 0.936E-02 RMM: 5 -0.332806801036E+03 0.66908E-04 -0.70800E-05 3437 0.252E-02 0.510E-02 RMM: 6 -0.332806789772E+03 0.11264E-04 -0.20754E-05 2525 0.131E-02 8144 T= 5658. E= 0.67570372E+03 F= 0.62346220E+03 E0= 0.65170102E+03 EK= 0.46077E+02 SP= 0.56E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333342401326E+03 -0.53560E+00 -0.10859E-01 7656 0.224E+01 0.142E-01 RMM: 2 -0.333355081572E+03 -0.12680E-01 -0.99355E-02 4756 0.751E-01 0.717E-01 RMM: 3 -0.333351325744E+03 0.37558E-02 -0.11635E-02 5885 0.199E-01 0.129E-01 RMM: 4 -0.333351065353E+03 0.26039E-03 -0.49657E-04 4759 0.506E-02 0.698E-02 RMM: 5 -0.333351032334E+03 0.33019E-04 -0.65705E-05 3306 0.251E-02 0.528E-02 RMM: 6 -0.333351023539E+03 0.87950E-05 -0.24033E-05 2537 0.149E-02 8145 T= 5782. E= 0.67570259E+03 F= 0.62291797E+03 E0= 0.65116180E+03 EK= 0.47084E+02 SP= 0.51E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334131652888E+03 -0.78062E+00 -0.10740E-01 7584 0.227E+01 0.329E-01 RMM: 2 -0.334164815757E+03 -0.33163E-01 -0.10671E-01 4780 0.820E-01 0.189E+00 RMM: 3 -0.334139824936E+03 0.24991E-01 -0.15832E-02 5361 0.300E-01 0.278E-01 RMM: 4 -0.334139270373E+03 0.55456E-03 -0.16866E-03 4891 0.823E-02 0.831E-02 RMM: 5 -0.334139289521E+03 -0.19148E-04 -0.19958E-04 3929 0.330E-02 8146 T= 5940. E= 0.67570012E+03 F= 0.62212970E+03 E0= 0.65037969E+03 EK= 0.48370E+02 SP= 0.46E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335120220513E+03 -0.98095E+00 -0.10706E-01 7560 0.230E+01 0.215E-01 RMM: 2 -0.335140587230E+03 -0.20367E-01 -0.94137E-02 4857 0.731E-01 0.130E+00 RMM: 3 -0.335128318850E+03 0.12268E-01 -0.11871E-02 5405 0.244E-01 0.228E-01 RMM: 4 -0.335127965654E+03 0.35320E-03 -0.11123E-03 4801 0.675E-02 0.855E-02 RMM: 5 -0.335127930025E+03 0.35629E-04 -0.13541E-04 3915 0.307E-02 0.741E-02 RMM: 6 -0.335127896582E+03 0.33443E-04 -0.28367E-05 2594 0.155E-02 0.450E-02 RMM: 7 -0.335127901295E+03 -0.47123E-05 -0.22929E-05 2553 0.144E-02 8147 T= 6126. E= 0.67569595E+03 F= 0.62114109E+03 E0= 0.64939912E+03 EK= 0.49889E+02 SP= 0.40E+01 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336238485983E+03 -0.11106E+01 -0.11879E-01 7688 0.234E+01 0.227E-01 RMM: 2 -0.336256933970E+03 -0.18448E-01 -0.11914E-01 4690 0.842E-01 0.110E+00 RMM: 3 -0.336248559357E+03 0.83746E-02 -0.14178E-02 5644 0.240E-01 0.182E-01 RMM: 4 -0.336248268896E+03 0.29046E-03 -0.97924E-04 4915 0.675E-02 0.110E-01 RMM: 5 -0.336248230940E+03 0.37956E-04 -0.15050E-04 3857 0.311E-02 0.907E-02 RMM: 6 -0.336248178517E+03 0.52423E-04 -0.41050E-05 3051 0.191E-02 0.233E-02 RMM: 7 -0.336248182888E+03 -0.43702E-05 -0.13579E-05 2497 0.118E-02 8148 T= 6333. E= 0.67568969E+03 F= 0.62002081E+03 E0= 0.64828583E+03 EK= 0.51568E+02 SP= 0.34E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337401458384E+03 -0.11533E+01 -0.11516E-01 7744 0.239E+01 0.137E-01 RMM: 2 -0.337412850617E+03 -0.11392E-01 -0.10818E-01 4830 0.782E-01 0.499E-01 RMM: 3 -0.337411090615E+03 0.17600E-02 -0.12104E-02 6109 0.197E-01 0.994E-02 RMM: 4 -0.337410893940E+03 0.19667E-03 -0.50815E-04 4534 0.579E-02 0.127E-01 RMM: 5 -0.337410777753E+03 0.11619E-03 -0.86095E-05 3564 0.289E-02 0.505E-02 RMM: 6 -0.337410768333E+03 0.94199E-05 -0.24029E-05 2533 0.139E-02 8149 T= 6547. E= 0.67568302E+03 F= 0.61885822E+03 E0= 0.64712876E+03 EK= 0.53315E+02 SP= 0.28E+01 SK= 0.71E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338507301366E+03 -0.10965E+01 -0.11888E-01 7808 0.242E+01 0.150E-01 RMM: 2 -0.338521263877E+03 -0.13963E-01 -0.11793E-01 4893 0.794E-01 0.694E-01 RMM: 3 -0.338517703970E+03 0.35599E-02 -0.12953E-02 6000 0.204E-01 0.136E-01 RMM: 4 -0.338517380265E+03 0.32371E-03 -0.55714E-04 4750 0.547E-02 0.807E-02 RMM: 5 -0.338517338082E+03 0.42183E-04 -0.70886E-05 3476 0.245E-02 0.601E-02 RMM: 6 -0.338517326755E+03 0.11326E-04 -0.23680E-05 2540 0.148E-02 8150 T= 6757. E= 0.67567657E+03 F= 0.61775166E+03 E0= 0.64602684E+03 EK= 0.55024E+02 SP= 0.22E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339465849982E+03 -0.94851E+00 -0.12336E-01 8024 0.246E+01 0.265E-01 RMM: 2 -0.339487793187E+03 -0.21943E-01 -0.10676E-01 5050 0.770E-01 0.139E+00 RMM: 3 -0.339474212902E+03 0.13580E-01 -0.12658E-02 5450 0.253E-01 0.233E-01 RMM: 4 -0.339473849815E+03 0.36309E-03 -0.12414E-03 4757 0.732E-02 0.112E-01 RMM: 5 -0.339473784737E+03 0.65079E-04 -0.16313E-04 3881 0.326E-02 0.878E-02 RMM: 6 -0.339473738645E+03 0.46091E-04 -0.35167E-05 2889 0.181E-02 0.462E-02 RMM: 7 -0.339473737683E+03 0.96225E-06 -0.19767E-05 2514 0.141E-02 8151 T= 6949. E= 0.67567085E+03 F= 0.61679525E+03 E0= 0.64507409E+03 EK= 0.56592E+02 SP= 0.16E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340191316815E+03 -0.71758E+00 -0.12930E-01 8152 0.249E+01 0.239E-01 RMM: 2 -0.340211917780E+03 -0.20601E-01 -0.11889E-01 5023 0.793E-01 0.122E+00 RMM: 3 -0.340201162342E+03 0.10755E-01 -0.13134E-02 5585 0.243E-01 0.228E-01 RMM: 4 -0.340200752185E+03 0.41016E-03 -0.11637E-03 4716 0.737E-02 0.106E-01 RMM: 5 -0.340200714087E+03 0.38098E-04 -0.16015E-04 3902 0.323E-02 0.932E-02 RMM: 6 -0.340200658809E+03 0.55278E-04 -0.34463E-05 2879 0.178E-02 0.402E-02 RMM: 7 -0.340200661039E+03 -0.22296E-05 -0.24352E-05 2566 0.149E-02 8152 T= 7114. E= 0.67566730E+03 F= 0.61606833E+03 E0= 0.64435031E+03 EK= 0.57929E+02 SP= 0.10E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340634143108E+03 -0.43348E+00 -0.13814E-01 8344 0.251E+01 0.196E-01 RMM: 2 -0.340652571732E+03 -0.18429E-01 -0.13129E-01 5030 0.808E-01 0.996E-01 RMM: 3 -0.340645169193E+03 0.74025E-02 -0.12935E-02 5838 0.226E-01 0.160E-01 RMM: 4 -0.340644904983E+03 0.26421E-03 -0.75640E-04 4806 0.596E-02 0.106E-01 RMM: 5 -0.340644830495E+03 0.74489E-04 -0.10595E-04 3754 0.273E-02 0.685E-02 RMM: 6 -0.340644809358E+03 0.21136E-04 -0.25132E-05 2562 0.148E-02 0.510E-02 RMM: 7 -0.340644806640E+03 0.27182E-05 -0.30250E-05 2634 0.164E-02 8153 T= 7242. E= 0.67566574E+03 F= 0.61562418E+03 E0= 0.64391018E+03 EK= 0.58972E+02 SP= 0.50E+00 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340773200237E+03 -0.12839E+00 -0.14211E-01 8664 0.252E+01 0.169E-01 RMM: 2 -0.340788831352E+03 -0.15631E-01 -0.13749E-01 5077 0.810E-01 0.683E-01 RMM: 3 -0.340784921640E+03 0.39097E-02 -0.12836E-02 6204 0.210E-01 0.149E-01 RMM: 4 -0.340784612057E+03 0.30958E-03 -0.59873E-04 4644 0.574E-02 0.117E-01 RMM: 5 -0.340784517908E+03 0.94149E-04 -0.98390E-05 3646 0.275E-02 0.607E-02 RMM: 6 -0.340784504087E+03 0.13822E-04 -0.23041E-05 2558 0.143E-02 8154 T= 7330. E= 0.67566684E+03 F= 0.61548449E+03 E0= 0.64377555E+03 EK= 0.59691E+02 SP= -.12E-01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340616422342E+03 0.16810E+00 -0.15699E-01 8312 0.253E+01 0.210E-01 RMM: 2 -0.340641757459E+03 -0.25335E-01 -0.18899E-01 4931 0.961E-01 0.108E+00 RMM: 3 -0.340632896873E+03 0.88606E-02 -0.19295E-02 5938 0.262E-01 0.190E-01 RMM: 4 -0.340632373772E+03 0.52310E-03 -0.94161E-04 4937 0.674E-02 0.992E-02 RMM: 5 -0.340632316184E+03 0.57589E-04 -0.11977E-04 4127 0.287E-02 0.759E-02 RMM: 6 -0.340632299582E+03 0.16602E-04 -0.24889E-05 2560 0.146E-02 8155 T= 7379. E= 0.67566984E+03 F= 0.61563669E+03 E0= 0.64393479E+03 EK= 0.60090E+02 SP= -.50E+00 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340212643420E+03 0.41967E+00 -0.16500E-01 8408 0.252E+01 0.368E-01 RMM: 2 -0.340254898972E+03 -0.42256E-01 -0.18686E-01 5023 0.975E-01 0.193E+00 RMM: 3 -0.340227907353E+03 0.26992E-01 -0.22702E-02 5417 0.341E-01 0.390E-01 RMM: 4 -0.340226743362E+03 0.11640E-02 -0.24778E-03 5189 0.103E-01 0.973E-02 RMM: 5 -0.340226722386E+03 0.20976E-04 -0.30347E-04 4420 0.341E-02 0.996E-02 RMM: 6 -0.340226663055E+03 0.59331E-04 -0.37275E-05 2941 0.179E-02 0.595E-02 RMM: 7 -0.340226681409E+03 -0.18354E-04 -0.35084E-05 2824 0.172E-02 8156 T= 7392. E= 0.67567378E+03 F= 0.61604231E+03 E0= 0.64434995E+03 EK= 0.60200E+02 SP= -.95E+00 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339599836121E+03 0.62683E+00 -0.19277E-01 8192 0.251E+01 0.359E-01 RMM: 2 -0.339643087372E+03 -0.43251E-01 -0.24635E-01 4828 0.111E+00 0.175E+00 RMM: 3 -0.339620558648E+03 0.22529E-01 -0.27233E-02 5484 0.357E-01 0.325E-01 RMM: 4 -0.339619785071E+03 0.77358E-03 -0.26653E-03 5321 0.107E-01 0.149E-01 RMM: 5 -0.339619779365E+03 0.57063E-05 -0.36198E-04 4054 0.402E-02 0.155E-01 RMM: 6 -0.339619620607E+03 0.15876E-03 -0.96390E-05 3639 0.273E-02 0.423E-02 RMM: 7 -0.339619621387E+03 -0.78057E-06 -0.22567E-05 2572 0.136E-02 8157 T= 7377. E= 0.67567830E+03 F= 0.61664937E+03 E0= 0.64496652E+03 EK= 0.60071E+02 SP= -.14E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338845133766E+03 0.77449E+00 -0.19590E-01 8504 0.250E+01 0.264E-01 RMM: 2 -0.338879001283E+03 -0.33868E-01 -0.23012E-01 5035 0.103E+00 0.136E+00 RMM: 3 -0.338864815479E+03 0.14186E-01 -0.21765E-02 5657 0.296E-01 0.255E-01 RMM: 4 -0.338864151703E+03 0.66378E-03 -0.14984E-03 4997 0.811E-02 0.109E-01 RMM: 5 -0.338864094130E+03 0.57573E-04 -0.19915E-04 3987 0.355E-02 0.870E-02 RMM: 6 -0.338864048502E+03 0.45628E-04 -0.42967E-05 3037 0.187E-02 0.559E-02 RMM: 7 -0.338864060306E+03 -0.11804E-04 -0.65845E-05 3521 0.216E-02 8158 T= 7337. E= 0.67568207E+03 F= 0.61740493E+03 E0= 0.64573077E+03 EK= 0.59752E+02 SP= -.17E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337983227462E+03 0.88082E+00 -0.21107E-01 8680 0.248E+01 0.206E-01 RMM: 2 -0.338011062692E+03 -0.27835E-01 -0.23914E-01 5182 0.103E+00 0.888E-01 RMM: 3 -0.338003780516E+03 0.72822E-02 -0.21022E-02 6077 0.266E-01 0.171E-01 RMM: 4 -0.338003328365E+03 0.45215E-03 -0.10414E-03 4838 0.720E-02 0.133E-01 RMM: 5 -0.338003224875E+03 0.10349E-03 -0.15178E-04 3885 0.316E-02 0.754E-02 RMM: 6 -0.338003196801E+03 0.28074E-04 -0.33401E-05 2880 0.172E-02 0.468E-02 RMM: 7 -0.338003204634E+03 -0.78326E-05 -0.27533E-05 2602 0.155E-02 8159 T= 7281. E= 0.67568450E+03 F= 0.61826578E+03 E0= 0.64659785E+03 EK= 0.59289E+02 SP= -.21E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337041719779E+03 0.96148E+00 -0.24228E-01 8696 0.246E+01 0.199E-01 RMM: 2 -0.337072339499E+03 -0.30620E-01 -0.27284E-01 5180 0.112E+00 0.837E-01 RMM: 3 -0.337065726863E+03 0.66126E-02 -0.24323E-02 6219 0.278E-01 0.166E-01 RMM: 4 -0.337065166802E+03 0.56006E-03 -0.10263E-03 4823 0.749E-02 0.136E-01 RMM: 5 -0.337065061279E+03 0.10552E-03 -0.16259E-04 3957 0.338E-02 0.780E-02 RMM: 6 -0.337065033456E+03 0.27823E-04 -0.37543E-05 2942 0.179E-02 0.546E-02 RMM: 7 -0.337065045983E+03 -0.12527E-04 -0.40835E-05 2825 0.185E-02 8160 T= 7209. E= 0.67568571E+03 F= 0.61920394E+03 E0= 0.64753804E+03 EK= 0.58709E+02 SP= -.24E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336043213022E+03 0.10218E+01 -0.24195E-01 8888 0.245E+01 0.199E-01 RMM: 2 -0.336071518255E+03 -0.28305E-01 -0.25780E-01 5477 0.104E+00 0.756E-01 RMM: 3 -0.336065352894E+03 0.61654E-02 -0.19819E-02 6048 0.260E-01 0.152E-01 RMM: 4 -0.336064992652E+03 0.36024E-03 -0.97097E-04 4872 0.689E-02 0.149E-01 RMM: 5 -0.336064862184E+03 0.13047E-03 -0.14820E-04 3886 0.323E-02 0.762E-02 RMM: 6 -0.336064838961E+03 0.23223E-04 -0.36654E-05 2960 0.179E-02 0.544E-02 RMM: 7 -0.336064853193E+03 -0.14232E-04 -0.45240E-05 2947 0.188E-02 8161 T= 7127. E= 0.67568680E+03 F= 0.62020414E+03 E0= 0.64853561E+03 EK= 0.58034E+02 SP= -.27E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334989146444E+03 0.10757E+01 -0.26283E-01 8848 0.243E+01 0.200E-01 RMM: 2 -0.335019722509E+03 -0.30576E-01 -0.26929E-01 5488 0.107E+00 0.855E-01 RMM: 3 -0.335012358960E+03 0.73635E-02 -0.20284E-02 6017 0.267E-01 0.162E-01 RMM: 4 -0.335011964846E+03 0.39411E-03 -0.10356E-03 4863 0.730E-02 0.147E-01 RMM: 5 -0.335011837311E+03 0.12753E-03 -0.15890E-04 3910 0.332E-02 0.765E-02 RMM: 6 -0.335011814020E+03 0.23291E-04 -0.35683E-05 2901 0.176E-02 0.556E-02 RMM: 7 -0.335011828191E+03 -0.14170E-04 -0.38576E-05 2797 0.180E-02 8162 T= 7033. E= 0.67568811E+03 F= 0.62125716E+03 E0= 0.64958119E+03 EK= 0.57277E+02 SP= -.30E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333891775767E+03 0.11200E+01 -0.27324E-01 8840 0.242E+01 0.195E-01 RMM: 2 -0.333919171232E+03 -0.27395E-01 -0.24730E-01 5900 0.101E+00 0.755E-01 RMM: 3 -0.333913017724E+03 0.61535E-02 -0.15229E-02 5753 0.247E-01 0.152E-01 RMM: 4 -0.333912811844E+03 0.20588E-03 -0.88641E-04 4925 0.637E-02 0.144E-01 RMM: 5 -0.333912684694E+03 0.12715E-03 -0.13019E-04 3892 0.309E-02 0.761E-02 RMM: 6 -0.333912661085E+03 0.23609E-04 -0.36134E-05 2950 0.179E-02 0.539E-02 RMM: 7 -0.333912676908E+03 -0.15823E-04 -0.51142E-05 3137 0.196E-02 8163 T= 6932. E= 0.67568952E+03 F= 0.62235631E+03 E0= 0.65066964E+03 EK= 0.56447E+02 SP= -.32E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332756136900E+03 0.11565E+01 -0.27751E-01 8912 0.241E+01 0.201E-01 RMM: 2 -0.332783801738E+03 -0.27665E-01 -0.24274E-01 5726 0.101E+00 0.827E-01 RMM: 3 -0.332777143472E+03 0.66583E-02 -0.15535E-02 5982 0.250E-01 0.172E-01 RMM: 4 -0.332776855090E+03 0.28838E-03 -0.91118E-04 4851 0.681E-02 0.140E-01 RMM: 5 -0.332776732326E+03 0.12276E-03 -0.14237E-04 3870 0.316E-02 0.738E-02 RMM: 6 -0.332776711001E+03 0.21325E-04 -0.35129E-05 2900 0.177E-02 0.537E-02 RMM: 7 -0.332776728259E+03 -0.17258E-04 -0.41937E-05 2904 0.182E-02 8164 T= 6823. E= 0.67569108E+03 F= 0.62349226E+03 E0= 0.65179338E+03 EK= 0.55559E+02 SP= -.35E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331598876152E+03 0.11778E+01 -0.26354E-01 8872 0.240E+01 0.183E-01 RMM: 2 -0.331622697597E+03 -0.23821E-01 -0.22282E-01 5978 0.967E-01 0.634E-01 RMM: 3 -0.331618331903E+03 0.43657E-02 -0.13463E-02 5862 0.231E-01 0.135E-01 RMM: 4 -0.331618182980E+03 0.14892E-03 -0.73621E-04 4846 0.594E-02 0.149E-01 RMM: 5 -0.331618032570E+03 0.15041E-03 -0.11728E-04 3821 0.293E-02 0.706E-02 RMM: 6 -0.331618014465E+03 0.18105E-04 -0.34165E-05 2887 0.175E-02 8165 T= 6709. E= 0.67569290E+03 F= 0.62465097E+03 E0= 0.65293964E+03 EK= 0.54631E+02 SP= -.37E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330442117548E+03 0.11759E+01 -0.25187E-01 8800 0.240E+01 0.247E-01 RMM: 2 -0.330471346252E+03 -0.29229E-01 -0.21513E-01 5608 0.971E-01 0.117E+00 RMM: 3 -0.330460513924E+03 0.10832E-01 -0.16034E-02 5620 0.269E-01 0.237E-01 RMM: 4 -0.330460045841E+03 0.46808E-03 -0.11997E-03 4936 0.720E-02 0.102E-01 RMM: 5 -0.330459984426E+03 0.61415E-04 -0.15437E-04 4264 0.296E-02 0.844E-02 RMM: 6 -0.330459954155E+03 0.30271E-04 -0.39323E-05 2995 0.185E-02 0.626E-02 RMM: 7 -0.330459988631E+03 -0.34476E-04 -0.61894E-05 3416 0.210E-02 0.102E-01 RMM: 8 -0.330459923357E+03 0.65274E-04 -0.80526E-05 3800 0.210E-02 0.343E-02 RMM: 9 -0.330459919003E+03 0.43537E-05 -0.15404E-05 2516 0.113E-02 8166 T= 6593. E= 0.67569556E+03 F= 0.62580907E+03 E0= 0.65408702E+03 EK= 0.53693E+02 SP= -.39E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329326409702E+03 0.11335E+01 -0.22375E-01 8792 0.239E+01 0.271E-01 RMM: 2 -0.329357331280E+03 -0.30922E-01 -0.19332E-01 5484 0.921E-01 0.139E+00 RMM: 3 -0.329342163454E+03 0.15168E-01 -0.14679E-02 5534 0.265E-01 0.213E-01 RMM: 4 -0.329341912960E+03 0.25049E-03 -0.14915E-03 4937 0.855E-02 0.171E-01 RMM: 5 -0.329341762623E+03 0.15034E-03 -0.23248E-04 3935 0.371E-02 0.107E-01 RMM: 6 -0.329341687814E+03 0.74808E-04 -0.51536E-05 3199 0.213E-02 0.399E-02 RMM: 7 -0.329341701359E+03 -0.13545E-04 -0.34586E-05 2745 0.171E-02 8167 T= 6482. E= 0.67569960E+03 F= 0.62692729E+03 E0= 0.65519794E+03 EK= 0.52789E+02 SP= -.41E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328304202100E+03 0.10375E+01 -0.19397E-01 8696 0.238E+01 0.221E-01 RMM: 2 -0.328327157581E+03 -0.22955E-01 -0.18545E-01 5464 0.923E-01 0.930E-01 RMM: 3 -0.328319782689E+03 0.73749E-02 -0.15091E-02 5940 0.242E-01 0.194E-01 RMM: 4 -0.328319398986E+03 0.38370E-03 -0.90596E-04 4941 0.637E-02 0.107E-01 RMM: 5 -0.328319318947E+03 0.80039E-04 -0.11872E-04 4054 0.267E-02 0.772E-02 RMM: 6 -0.328319299311E+03 0.19635E-04 -0.31324E-05 2757 0.168E-02 8168 T= 6383. E= 0.67570449E+03 F= 0.62794969E+03 E0= 0.65621734E+03 EK= 0.51979E+02 SP= -.43E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327448549065E+03 0.87077E+00 -0.16697E-01 8648 0.238E+01 0.342E-01 RMM: 2 -0.327486605631E+03 -0.38057E-01 -0.16302E-01 5226 0.896E-01 0.186E+00 RMM: 3 -0.327461438788E+03 0.25167E-01 -0.18738E-02 5392 0.311E-01 0.309E-01 RMM: 4 -0.327460737464E+03 0.70132E-03 -0.19992E-03 4992 0.882E-02 0.113E-01 RMM: 5 -0.327460671998E+03 0.65467E-04 -0.21309E-04 4223 0.324E-02 0.107E-01 RMM: 6 -0.327460609410E+03 0.62588E-04 -0.41549E-05 3018 0.194E-02 0.659E-02 RMM: 7 -0.327460630456E+03 -0.21046E-04 -0.56264E-05 3322 0.211E-02 0.948E-02 RMM: 8 -0.327460578040E+03 0.52416E-04 -0.11729E-04 3902 0.238E-02 0.589E-02 RMM: 9 -0.327460557186E+03 0.20853E-04 -0.26036E-05 2652 0.144E-02 0.216E-02 RMM: 10 -0.327460563441E+03 -0.62543E-05 -0.97036E-06 2464 0.977E-03 8169 T= 6304. E= 0.67570984E+03 F= 0.62880843E+03 E0= 0.65707837E+03 EK= 0.51335E+02 SP= -.45E+01 SK= 0.95E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326822266631E+03 0.63829E+00 -0.15123E-01 8192 0.238E+01 0.346E-01 RMM: 2 -0.326856444045E+03 -0.34177E-01 -0.17441E-01 4954 0.964E-01 0.167E+00 RMM: 3 -0.326836801056E+03 0.19643E-01 -0.21011E-02 5486 0.317E-01 0.374E-01 RMM: 4 -0.326835769602E+03 0.10315E-02 -0.24094E-03 5136 0.107E-01 0.140E-01 RMM: 5 -0.326835731259E+03 0.38343E-04 -0.31349E-04 3952 0.402E-02 0.134E-01 RMM: 6 -0.326835602761E+03 0.12850E-03 -0.67028E-05 3431 0.230E-02 0.398E-02 RMM: 7 -0.326835611861E+03 -0.91001E-05 -0.31674E-05 2757 0.162E-02 8170 T= 6254. E= 0.67571385E+03 F= 0.62943338E+03 E0= 0.65771153E+03 EK= 0.50928E+02 SP= -.48E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326479455922E+03 0.35615E+00 -0.12942E-01 7880 0.238E+01 0.231E-01 RMM: 2 -0.326499892978E+03 -0.20437E-01 -0.12500E-01 5040 0.836E-01 0.117E+00 RMM: 3 -0.326490037364E+03 0.98556E-02 -0.14506E-02 5653 0.247E-01 0.191E-01 RMM: 4 -0.326489687465E+03 0.34990E-03 -0.99614E-04 4915 0.648E-02 0.973E-02 RMM: 5 -0.326489637177E+03 0.50288E-04 -0.11263E-04 4005 0.269E-02 0.808E-02 RMM: 6 -0.326489611103E+03 0.26074E-04 -0.27226E-05 2622 0.156E-02 0.621E-02 RMM: 7 -0.326489632770E+03 -0.21668E-04 -0.57012E-05 3306 0.203E-02 0.958E-02 RMM: 8 -0.326489572448E+03 0.60322E-04 -0.68051E-05 3605 0.211E-02 0.289E-02 RMM: 9 -0.326489573685E+03 -0.12370E-05 -0.16362E-05 2509 0.119E-02 8171 T= 6239. E= 0.67571480E+03 F= 0.62977942E+03 E0= 0.65806916E+03 EK= 0.50805E+02 SP= -.50E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326410566882E+03 0.79006E-01 -0.12657E-01 7520 0.239E+01 0.204E-01 RMM: 2 -0.326427347894E+03 -0.16781E-01 -0.12487E-01 4802 0.841E-01 0.908E-01 RMM: 3 -0.326421441741E+03 0.59062E-02 -0.14998E-02 5832 0.231E-01 0.173E-01 RMM: 4 -0.326421144518E+03 0.29722E-03 -0.91558E-04 4728 0.713E-02 0.145E-01 RMM: 5 -0.326421014895E+03 0.12962E-03 -0.15644E-04 3870 0.322E-02 0.823E-02 RMM: 6 -0.326420971009E+03 0.43886E-04 -0.36067E-05 2978 0.181E-02 0.331E-02 RMM: 7 -0.326420971577E+03 -0.56806E-06 -0.18742E-05 2506 0.135E-02 8172 T= 6258. E= 0.67571151E+03 F= 0.62984802E+03 E0= 0.65815093E+03 EK= 0.50965E+02 SP= -.52E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326563212447E+03 -0.14224E+00 -0.11683E-01 7784 0.240E+01 0.189E-01 RMM: 2 -0.326577205830E+03 -0.13993E-01 -0.94810E-02 4933 0.741E-01 0.926E-01 RMM: 3 -0.326571285692E+03 0.59201E-02 -0.11012E-02 5714 0.208E-01 0.170E-01 RMM: 4 -0.326571006080E+03 0.27961E-03 -0.66506E-04 4766 0.559E-02 0.782E-02 RMM: 5 -0.326570968088E+03 0.37992E-04 -0.88165E-05 3832 0.242E-02 0.677E-02 RMM: 6 -0.326570946637E+03 0.21451E-04 -0.22618E-05 2546 0.142E-02 0.456E-02 RMM: 7 -0.326570946415E+03 0.22189E-06 -0.37795E-05 2845 0.178E-02 8173 T= 6306. E= 0.67570522E+03 F= 0.62969804E+03 E0= 0.65801169E+03 EK= 0.51350E+02 SP= -.55E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326830368715E+03 -0.25942E+00 -0.12622E-01 7752 0.242E+01 0.168E-01 RMM: 2 -0.326843088732E+03 -0.12720E-01 -0.10170E-01 4900 0.751E-01 0.739E-01 RMM: 3 -0.326839112287E+03 0.39764E-02 -0.11469E-02 5901 0.199E-01 0.152E-01 RMM: 4 -0.326838860924E+03 0.25136E-03 -0.63659E-04 4641 0.606E-02 0.114E-01 RMM: 5 -0.326838777312E+03 0.83612E-04 -0.10549E-04 3649 0.282E-02 0.630E-02 RMM: 6 -0.326838758656E+03 0.18656E-04 -0.26249E-05 2630 0.158E-02 8174 T= 6369. E= 0.67569845E+03 F= 0.62943023E+03 E0= 0.65775078E+03 EK= 0.51863E+02 SP= -.57E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327104584190E+03 -0.26581E+00 -0.12997E-01 7848 0.244E+01 0.192E-01 RMM: 2 -0.327120161189E+03 -0.15577E-01 -0.11087E-01 5095 0.751E-01 0.928E-01 RMM: 3 -0.327113871557E+03 0.62896E-02 -0.11368E-02 5752 0.210E-01 0.188E-01 RMM: 4 -0.327113549817E+03 0.32174E-03 -0.72756E-04 4788 0.574E-02 0.990E-02 RMM: 5 -0.327113483564E+03 0.66253E-04 -0.87839E-05 3810 0.244E-02 0.740E-02 RMM: 6 -0.327113468013E+03 0.15551E-04 -0.23070E-05 2552 0.145E-02 8175 T= 6434. E= 0.67569331E+03 F= 0.62915552E+03 E0= 0.65747637E+03 EK= 0.52391E+02 SP= -.60E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327292708961E+03 -0.17923E+00 -0.13245E-01 8096 0.244E+01 0.311E-01 RMM: 2 -0.327323355628E+03 -0.30647E-01 -0.11772E-01 5047 0.794E-01 0.174E+00 RMM: 3 -0.327302107822E+03 0.21248E-01 -0.15757E-02 5408 0.289E-01 0.326E-01 RMM: 4 -0.327301332488E+03 0.77533E-03 -0.17319E-03 4881 0.858E-02 0.995E-02 RMM: 5 -0.327301287438E+03 0.45050E-04 -0.19546E-04 4065 0.318E-02 0.919E-02 RMM: 6 -0.327301245295E+03 0.42143E-04 -0.31427E-05 2770 0.171E-02 0.654E-02 RMM: 7 -0.327301261467E+03 -0.16171E-04 -0.42663E-05 3059 0.191E-02 8176 T= 6489. E= 0.67568957E+03 F= 0.62896773E+03 E0= 0.65728262E+03 EK= 0.52839E+02 SP= -.63E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327328964571E+03 -0.27719E-01 -0.13935E-01 8144 0.245E+01 0.301E-01 RMM: 2 -0.327355136326E+03 -0.26172E-01 -0.14026E-01 5014 0.841E-01 0.144E+00 RMM: 3 -0.327340160117E+03 0.14976E-01 -0.16390E-02 5474 0.276E-01 0.255E-01 RMM: 4 -0.327339775121E+03 0.38500E-03 -0.17765E-03 4869 0.903E-02 0.170E-01 RMM: 5 -0.327339662362E+03 0.11276E-03 -0.26965E-04 3898 0.404E-02 0.124E-01 RMM: 6 -0.327339560462E+03 0.10190E-03 -0.67974E-05 3444 0.241E-02 0.346E-02 RMM: 7 -0.327339563323E+03 -0.28610E-05 -0.19732E-05 2561 0.132E-02 8177 T= 6526. E= 0.67568843E+03 F= 0.62892943E+03 E0= 0.65723203E+03 EK= 0.53142E+02 SP= -.65E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327190295454E+03 0.14927E+00 -0.15613E-01 8480 0.244E+01 0.241E-01 RMM: 2 -0.327213387424E+03 -0.23092E-01 -0.15888E-01 5059 0.884E-01 0.114E+00 RMM: 3 -0.327203574920E+03 0.98125E-02 -0.17149E-02 5781 0.259E-01 0.198E-01 RMM: 4 -0.327203150303E+03 0.42462E-03 -0.11195E-03 5012 0.693E-02 0.116E-01 RMM: 5 -0.327203067198E+03 0.83105E-04 -0.14412E-04 3915 0.297E-02 0.848E-02 RMM: 6 -0.327203029255E+03 0.37943E-04 -0.34937E-05 2887 0.177E-02 0.604E-02 RMM: 7 -0.327203030869E+03 -0.16141E-05 -0.48317E-05 3058 0.193E-02 8178 T= 6542. E= 0.67568952E+03 F= 0.62906596E+03 E0= 0.65735179E+03 EK= 0.53273E+02 SP= -.68E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326884643674E+03 0.31839E+00 -0.15572E-01 8872 0.243E+01 0.205E-01 RMM: 2 -0.326904289861E+03 -0.19646E-01 -0.15787E-01 5114 0.856E-01 0.876E-01 RMM: 3 -0.326897953052E+03 0.63368E-02 -0.15049E-02 5984 0.232E-01 0.173E-01 RMM: 4 -0.326897616548E+03 0.33650E-03 -0.86338E-04 4873 0.642E-02 0.124E-01 RMM: 5 -0.326897518795E+03 0.97753E-04 -0.12113E-04 3804 0.280E-02 0.712E-02 RMM: 6 -0.326897492700E+03 0.26095E-04 -0.28250E-05 2708 0.161E-02 0.444E-02 RMM: 7 -0.326897498049E+03 -0.53491E-05 -0.26367E-05 2611 0.151E-02 8179 T= 6537. E= 0.67569149E+03 F= 0.62937149E+03 E0= 0.65763925E+03 EK= 0.53234E+02 SP= -.71E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326430565892E+03 0.46693E+00 -0.17224E-01 8696 0.241E+01 0.206E-01 RMM: 2 -0.326453504784E+03 -0.22939E-01 -0.19172E-01 5035 0.956E-01 0.865E-01 RMM: 3 -0.326447168240E+03 0.63365E-02 -0.18631E-02 6144 0.249E-01 0.163E-01 RMM: 4 -0.326446751386E+03 0.41685E-03 -0.91446E-04 4799 0.710E-02 0.143E-01 RMM: 5 -0.326446631525E+03 0.11986E-03 -0.15314E-04 3883 0.325E-02 0.825E-02 RMM: 6 -0.326446593539E+03 0.37987E-04 -0.40110E-05 3028 0.190E-02 0.441E-02 RMM: 7 -0.326446599172E+03 -0.56333E-05 -0.26251E-05 2598 0.150E-02 8180 T= 6514. E= 0.67569359E+03 F= 0.62982239E+03 E0= 0.65807195E+03 EK= 0.53048E+02 SP= -.73E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325864770664E+03 0.58182E+00 -0.17994E-01 8952 0.240E+01 0.208E-01 RMM: 2 -0.325886654936E+03 -0.21884E-01 -0.18058E-01 5091 0.916E-01 0.870E-01 RMM: 3 -0.325880121700E+03 0.65332E-02 -0.16114E-02 5986 0.246E-01 0.172E-01 RMM: 4 -0.325879763370E+03 0.35833E-03 -0.88814E-04 4894 0.656E-02 0.119E-01 RMM: 5 -0.325879678939E+03 0.84431E-04 -0.13019E-04 3842 0.300E-02 0.751E-02 RMM: 6 -0.325879649588E+03 0.29350E-04 -0.34244E-05 2869 0.175E-02 0.473E-02 RMM: 7 -0.325879664502E+03 -0.14913E-04 -0.36866E-05 2728 0.172E-02 8181 T= 6477. E= 0.67569534E+03 F= 0.63038932E+03 E0= 0.65862375E+03 EK= 0.52743E+02 SP= -.76E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325210068943E+03 0.66958E+00 -0.18892E-01 9008 0.239E+01 0.188E-01 RMM: 2 -0.325231076271E+03 -0.21007E-01 -0.18106E-01 5291 0.898E-01 0.780E-01 RMM: 3 -0.325225557625E+03 0.55186E-02 -0.14279E-02 6092 0.227E-01 0.154E-01 RMM: 4 -0.325225250618E+03 0.30701E-03 -0.78210E-04 4754 0.643E-02 0.129E-01 RMM: 5 -0.325225152535E+03 0.98084E-04 -0.12732E-04 3805 0.297E-02 0.757E-02 RMM: 6 -0.325225124246E+03 0.28288E-04 -0.31829E-05 2849 0.172E-02 0.433E-02 RMM: 7 -0.325225135270E+03 -0.11024E-04 -0.27211E-05 2593 0.153E-02 8182 T= 6429. E= 0.67569662E+03 F= 0.63104385E+03 E0= 0.65926660E+03 EK= 0.52350E+02 SP= -.78E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324498181526E+03 0.72694E+00 -0.19316E-01 9040 0.239E+01 0.183E-01 RMM: 2 -0.324518608110E+03 -0.20427E-01 -0.18049E-01 5393 0.882E-01 0.723E-01 RMM: 3 -0.324513435627E+03 0.51725E-02 -0.13320E-02 5918 0.226E-01 0.156E-01 RMM: 4 -0.324513172036E+03 0.26359E-03 -0.76617E-04 4907 0.597E-02 0.119E-01 RMM: 5 -0.324513078684E+03 0.93352E-04 -0.10897E-04 3748 0.281E-02 0.724E-02 RMM: 6 -0.324513054361E+03 0.24323E-04 -0.32175E-05 2784 0.169E-02 0.535E-02 RMM: 7 -0.324513065183E+03 -0.10822E-04 -0.61330E-05 3388 0.198E-02 8183 T= 6373. E= 0.67569874E+03 F= 0.63175592E+03 E0= 0.65997244E+03 EK= 0.51901E+02 SP= -.81E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323772346021E+03 0.74071E+00 -0.20296E-01 9000 0.238E+01 0.200E-01 RMM: 2 -0.323796035334E+03 -0.23689E-01 -0.20027E-01 5171 0.963E-01 0.862E-01 RMM: 3 -0.323789574927E+03 0.64604E-02 -0.17766E-02 6078 0.250E-01 0.170E-01 RMM: 4 -0.323789150491E+03 0.42444E-03 -0.89714E-04 4859 0.667E-02 0.119E-01 RMM: 5 -0.323789068288E+03 0.82203E-04 -0.12921E-04 3848 0.298E-02 0.818E-02 RMM: 6 -0.323789041598E+03 0.26690E-04 -0.33460E-05 2840 0.174E-02 0.566E-02 RMM: 7 -0.323789058273E+03 -0.16675E-04 -0.38466E-05 2811 0.178E-02 8184 T= 6317. E= 0.67570362E+03 F= 0.63247993E+03 E0= 0.66069523E+03 EK= 0.51445E+02 SP= -.84E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323121832615E+03 0.66721E+00 -0.21275E-01 9048 0.238E+01 0.225E-01 RMM: 2 -0.323146581715E+03 -0.24749E-01 -0.20710E-01 5100 0.101E+00 0.919E-01 RMM: 3 -0.323139719166E+03 0.68625E-02 -0.19543E-02 5964 0.272E-01 0.203E-01 RMM: 4 -0.323139249679E+03 0.46949E-03 -0.10663E-03 5102 0.706E-02 0.121E-01 RMM: 5 -0.323139166875E+03 0.82804E-04 -0.14452E-04 4010 0.306E-02 0.879E-02 RMM: 6 -0.323139138019E+03 0.28856E-04 -0.35711E-05 2885 0.180E-02 0.660E-02 RMM: 7 -0.323139155940E+03 -0.17921E-04 -0.54676E-05 3245 0.203E-02 8185 T= 6272. E= 0.67571217E+03 F= 0.63312983E+03 E0= 0.66135034E+03 EK= 0.51072E+02 SP= -.86E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322685720599E+03 0.45342E+00 -0.20377E-01 9064 0.237E+01 0.282E-01 RMM: 2 -0.322716345292E+03 -0.30625E-01 -0.20847E-01 5091 0.104E+00 0.130E+00 RMM: 3 -0.322703468798E+03 0.12876E-01 -0.21591E-02 5719 0.300E-01 0.255E-01 RMM: 4 -0.322702884814E+03 0.58398E-03 -0.15765E-03 5102 0.814E-02 0.126E-01 RMM: 5 -0.322702814418E+03 0.70396E-04 -0.19521E-04 4062 0.327E-02 0.103E-01 RMM: 6 -0.322702766093E+03 0.48325E-04 -0.41946E-05 3040 0.192E-02 0.675E-02 RMM: 7 -0.322702790227E+03 -0.24134E-04 -0.37733E-05 2900 0.178E-02 0.941E-02 RMM: 8 -0.322702747987E+03 0.42240E-04 -0.78901E-05 3757 0.226E-02 0.429E-02 RMM: 9 -0.322702744549E+03 0.34381E-05 -0.25254E-05 2638 0.142E-02 8186 T= 6253. E= 0.67572293E+03 F= 0.63356624E+03 E0= 0.66179672E+03 EK= 0.50921E+02 SP= -.89E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322625154906E+03 0.77593E-01 -0.16688E-01 8944 0.236E+01 0.255E-01 RMM: 2 -0.322648735177E+03 -0.23580E-01 -0.17326E-01 5145 0.955E-01 0.108E+00 RMM: 3 -0.322639879703E+03 0.88555E-02 -0.17639E-02 5720 0.270E-01 0.223E-01 RMM: 4 -0.322639525630E+03 0.35407E-03 -0.12686E-03 4916 0.774E-02 0.166E-01 RMM: 5 -0.322639360109E+03 0.16552E-03 -0.19528E-04 3910 0.343E-02 0.969E-02 RMM: 6 -0.322639303844E+03 0.56264E-04 -0.48643E-05 3157 0.208E-02 0.495E-02 RMM: 7 -0.322639308226E+03 -0.43814E-05 -0.26883E-05 2587 0.158E-02 8187 T= 6281. E= 0.67572970E+03 F= 0.63362968E+03 E0= 0.66187676E+03 EK= 0.51149E+02 SP= -.92E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323035361155E+03 -0.39606E+00 -0.12767E-01 8008 0.236E+01 0.233E-01 RMM: 2 -0.323054944312E+03 -0.19583E-01 -0.13367E-01 5123 0.845E-01 0.107E+00 RMM: 3 -0.323046642234E+03 0.83021E-02 -0.14963E-02 5803 0.246E-01 0.233E-01 RMM: 4 -0.323046132561E+03 0.50967E-03 -0.98598E-04 4940 0.653E-02 0.896E-02 RMM: 5 -0.323046103286E+03 0.29275E-04 -0.11292E-04 3967 0.265E-02 0.820E-02 RMM: 6 -0.323046079594E+03 0.23692E-04 -0.22727E-05 2559 0.144E-02 0.603E-02 RMM: 7 -0.323046100112E+03 -0.20519E-04 -0.43490E-05 3079 0.186E-02 0.850E-02 RMM: 8 -0.323046061512E+03 0.38600E-04 -0.74308E-05 3744 0.209E-02 0.319E-02 RMM: 9 -0.323046057759E+03 0.37533E-05 -0.12129E-05 2490 0.103E-02 8188 T= 6367. E= 0.67572747E+03 F= 0.63322293E+03 E0= 0.66149137E+03 EK= 0.51848E+02 SP= -.95E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323880713502E+03 -0.83465E+00 -0.12596E-01 7712 0.239E+01 0.191E-01 RMM: 2 -0.323895353532E+03 -0.14640E-01 -0.12180E-01 4967 0.798E-01 0.757E-01 RMM: 3 -0.323891081856E+03 0.42717E-02 -0.13214E-02 5955 0.211E-01 0.138E-01 RMM: 4 -0.323890906602E+03 0.17525E-03 -0.71039E-04 4706 0.631E-02 0.162E-01 RMM: 5 -0.323890734710E+03 0.17189E-03 -0.13125E-04 3790 0.304E-02 0.725E-02 RMM: 6 -0.323890704435E+03 0.30275E-04 -0.36694E-05 2989 0.185E-02 0.323E-02 RMM: 7 -0.323890711060E+03 -0.66249E-05 -0.18426E-05 2520 0.133E-02 8189 T= 6507. E= 0.67571677E+03 F= 0.63237828E+03 E0= 0.66067283E+03 EK= 0.52987E+02 SP= -.98E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325008634143E+03 -0.11179E+01 -0.13230E-01 8408 0.243E+01 0.213E-01 RMM: 2 -0.325025829520E+03 -0.17195E-01 -0.13196E-01 5162 0.835E-01 0.898E-01 RMM: 3 -0.325019953889E+03 0.58756E-02 -0.14198E-02 5841 0.230E-01 0.207E-01 RMM: 4 -0.325019531184E+03 0.42270E-03 -0.87442E-04 4753 0.650E-02 0.123E-01 RMM: 5 -0.325019433990E+03 0.97194E-04 -0.13586E-04 3879 0.316E-02 0.735E-02 RMM: 6 -0.325019412163E+03 0.21828E-04 -0.27521E-05 2599 0.158E-02 0.541E-02 RMM: 7 -0.325019411117E+03 0.10454E-05 -0.24163E-05 2568 0.151E-02 8190 T= 6682. E= 0.67570393E+03 F= 0.63124958E+03 E0= 0.65957362E+03 EK= 0.54416E+02 SP= -.10E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326221429536E+03 -0.12020E+01 -0.15953E-01 8880 0.246E+01 0.228E-01 RMM: 2 -0.326243762648E+03 -0.22333E-01 -0.18115E-01 5147 0.967E-01 0.944E-01 RMM: 3 -0.326237162883E+03 0.65998E-02 -0.19134E-02 5909 0.260E-01 0.209E-01 RMM: 4 -0.326236648124E+03 0.51476E-03 -0.10635E-03 4850 0.724E-02 0.140E-01 RMM: 5 -0.326236522209E+03 0.12591E-03 -0.15570E-04 3939 0.323E-02 0.886E-02 RMM: 6 -0.326236501444E+03 0.20765E-04 -0.30485E-05 2583 0.165E-02 0.733E-02 RMM: 7 -0.326236488539E+03 0.12905E-04 -0.37624E-05 2703 0.174E-02 8191 T= 6869. E= 0.67569362E+03 F= 0.63003250E+03 E0= 0.65838836E+03 EK= 0.55936E+02 SP= -.10E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327363045777E+03 -0.11265E+01 -0.18356E-01 8960 0.250E+01 0.244E-01 RMM: 2 -0.327389626207E+03 -0.26580E-01 -0.19578E-01 5280 0.988E-01 0.114E+00 RMM: 3 -0.327380129943E+03 0.94963E-02 -0.18782E-02 5749 0.265E-01 0.253E-01 RMM: 4 -0.327379553678E+03 0.57626E-03 -0.12699E-03 4845 0.766E-02 0.151E-01 RMM: 5 -0.327379410320E+03 0.14336E-03 -0.18381E-04 3899 0.350E-02 0.968E-02 RMM: 6 -0.327379385678E+03 0.24642E-04 -0.35252E-05 2814 0.175E-02 0.852E-02 RMM: 7 -0.327379370383E+03 0.15295E-04 -0.53070E-05 3085 0.202E-02 8192 T= 7046. E= 0.67568775E+03 F= 0.62888962E+03 E0= 0.65727878E+03 EK= 0.57380E+02 SP= -.11E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328333409639E+03 -0.95402E+00 -0.19219E-01 9152 0.252E+01 0.225E-01 RMM: 2 -0.328357657089E+03 -0.24247E-01 -0.19329E-01 5224 0.958E-01 0.100E+00 RMM: 3 -0.328349904477E+03 0.77526E-02 -0.17772E-02 5828 0.257E-01 0.210E-01 RMM: 4 -0.328349482852E+03 0.42163E-03 -0.10611E-03 4836 0.708E-02 0.148E-01 RMM: 5 -0.328349341388E+03 0.14146E-03 -0.15829E-04 3890 0.323E-02 0.941E-02 RMM: 6 -0.328349321920E+03 0.19468E-04 -0.37636E-05 2922 0.180E-02 8193 T= 7201. E= 0.67568449E+03 F= 0.62791967E+03 E0= 0.65634120E+03 EK= 0.58638E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329080288423E+03 -0.73095E+00 -0.19385E-01 9008 0.253E+01 0.227E-01 RMM: 2 -0.329109376988E+03 -0.29089E-01 -0.19463E-01 5322 0.920E-01 0.125E+00 RMM: 3 -0.329096728264E+03 0.12649E-01 -0.16212E-02 5518 0.264E-01 0.238E-01 RMM: 4 -0.329096308679E+03 0.41959E-03 -0.13765E-03 5113 0.722E-02 0.122E-01 RMM: 5 -0.329096222544E+03 0.86134E-04 -0.13100E-04 4217 0.282E-02 0.100E-01 RMM: 6 -0.329096207328E+03 0.15216E-04 -0.28558E-05 2582 0.161E-02 8194 T= 7325. E= 0.67568250E+03 F= 0.62717278E+03 E0= 0.65562475E+03 EK= 0.59651E+02 SP= -.11E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329581606021E+03 -0.48538E+00 -0.20555E-01 8944 0.254E+01 0.438E-01 RMM: 2 -0.329638513807E+03 -0.56908E-01 -0.19890E-01 5273 0.977E-01 0.243E+00 RMM: 3 -0.329597240949E+03 0.41273E-01 -0.24468E-02 5384 0.371E-01 0.504E-01 RMM: 4 -0.329595344637E+03 0.18963E-02 -0.32291E-03 5339 0.120E-01 0.117E-01 RMM: 5 -0.329595303583E+03 0.41054E-04 -0.39899E-04 4417 0.368E-02 0.117E-01 RMM: 6 -0.329595234651E+03 0.68933E-04 -0.50976E-05 3179 0.208E-02 0.747E-02 RMM: 7 -0.329595258095E+03 -0.23444E-04 -0.46513E-05 3144 0.186E-02 0.992E-02 RMM: 8 -0.329595221606E+03 0.36489E-04 -0.13260E-04 3881 0.257E-02 0.682E-02 RMM: 9 -0.329595197681E+03 0.23925E-04 -0.36397E-05 2964 0.164E-02 0.326E-02 RMM: 10 -0.329595203392E+03 -0.57119E-05 -0.14701E-05 2500 0.117E-02 8195 T= 7415. E= 0.67568133E+03 F= 0.62667379E+03 E0= 0.65515377E+03 EK= 0.60384E+02 SP= -.11E+02 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329816583995E+03 -0.22139E+00 -0.22941E-01 8856 0.255E+01 0.363E-01 RMM: 2 -0.329858761719E+03 -0.42178E-01 -0.21900E-01 5147 0.982E-01 0.181E+00 RMM: 3 -0.329834498495E+03 0.24263E-01 -0.20552E-02 5427 0.322E-01 0.351E-01 RMM: 4 -0.329833854858E+03 0.64364E-03 -0.28003E-03 5277 0.117E-01 0.228E-01 RMM: 5 -0.329833755554E+03 0.99304E-04 -0.50338E-04 4313 0.542E-02 0.199E-01 RMM: 6 -0.329833506042E+03 0.24951E-03 -0.16557E-04 3882 0.349E-02 0.595E-02 RMM: 7 -0.329833538124E+03 -0.32082E-04 -0.59250E-05 3380 0.207E-02 0.877E-02 RMM: 8 -0.329833502210E+03 0.35915E-04 -0.39963E-05 2935 0.186E-02 0.362E-02 RMM: 9 -0.329833502552E+03 -0.34256E-06 -0.18801E-05 2525 0.127E-02 8196 T= 7468. E= 0.67568053E+03 F= 0.62643549E+03 E0= 0.65493644E+03 EK= 0.60819E+02 SP= -.12E+02 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329791166478E+03 0.42336E-01 -0.22894E-01 8832 0.256E+01 0.196E-01 RMM: 2 -0.329813349576E+03 -0.22183E-01 -0.18173E-01 5508 0.887E-01 0.893E-01 RMM: 3 -0.329806500120E+03 0.68495E-02 -0.12344E-02 5866 0.226E-01 0.179E-01 RMM: 4 -0.329806214761E+03 0.28536E-03 -0.84204E-04 4751 0.636E-02 0.116E-01 RMM: 5 -0.329806120988E+03 0.93774E-04 -0.12707E-04 3805 0.283E-02 0.749E-02 RMM: 6 -0.329806089965E+03 0.31023E-04 -0.32936E-05 2884 0.172E-02 0.488E-02 RMM: 7 -0.329806097235E+03 -0.72701E-05 -0.41974E-05 2977 0.180E-02 8197 T= 7484. E= 0.67568024E+03 F= 0.62646289E+03 E0= 0.65497777E+03 EK= 0.60947E+02 SP= -.12E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329506006203E+03 0.30008E+00 -0.22575E-01 8728 0.257E+01 0.187E-01 RMM: 2 -0.329528315768E+03 -0.22310E-01 -0.19045E-01 5338 0.926E-01 0.819E-01 RMM: 3 -0.329522243347E+03 0.60724E-02 -0.14592E-02 6025 0.239E-01 0.166E-01 RMM: 4 -0.329521911945E+03 0.33140E-03 -0.77705E-04 4789 0.623E-02 0.109E-01 RMM: 5 -0.329521827236E+03 0.84709E-04 -0.10516E-04 3704 0.280E-02 0.664E-02 RMM: 6 -0.329521816819E+03 0.10417E-04 -0.29058E-05 2607 0.161E-02 8198 T= 7463. E= 0.67568168E+03 F= 0.62674717E+03 E0= 0.65526837E+03 EK= 0.60777E+02 SP= -.12E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329002087009E+03 0.51974E+00 -0.21036E-01 8736 0.256E+01 0.281E-01 RMM: 2 -0.329032958581E+03 -0.30872E-01 -0.18435E-01 5243 0.917E-01 0.143E+00 RMM: 3 -0.329017206956E+03 0.15752E-01 -0.17400E-02 5419 0.290E-01 0.275E-01 RMM: 4 -0.329016668410E+03 0.53855E-03 -0.15977E-03 5009 0.805E-02 0.113E-01 RMM: 5 -0.329016599586E+03 0.68825E-04 -0.17512E-04 4120 0.321E-02 0.997E-02 RMM: 6 -0.329016548948E+03 0.50637E-04 -0.40618E-05 2998 0.187E-02 0.684E-02 RMM: 7 -0.329016588435E+03 -0.39486E-04 -0.82828E-05 3650 0.237E-02 0.113E-01 RMM: 8 -0.329016507147E+03 0.81287E-04 -0.11602E-04 3880 0.231E-02 0.442E-02 RMM: 9 -0.329016496296E+03 0.10851E-04 -0.19491E-05 2563 0.123E-02 8199 T= 7410. E= 0.67568600E+03 F= 0.62725249E+03 E0= 0.65577271E+03 EK= 0.60346E+02 SP= -.12E+02 SK= 0.38E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328346847422E+03 0.66966E+00 -0.20613E-01 8616 0.256E+01 0.328E-01 RMM: 2 -0.328383974054E+03 -0.37127E-01 -0.19703E-01 4982 0.993E-01 0.171E+00 RMM: 3 -0.328363011271E+03 0.20963E-01 -0.21421E-02 5434 0.323E-01 0.302E-01 RMM: 4 -0.328362445794E+03 0.56548E-03 -0.21977E-03 5258 0.100E-01 0.172E-01 RMM: 5 -0.328362322137E+03 0.12366E-03 -0.28007E-04 3981 0.372E-02 0.127E-01 RMM: 6 -0.328362219910E+03 0.10223E-03 -0.67642E-05 3415 0.237E-02 0.494E-02 RMM: 7 -0.328362230205E+03 -0.10295E-04 -0.34082E-05 2827 0.168E-02 8200 T= 7334. E= 0.67569190E+03 F= 0.62790676E+03 E0= 0.65642188E+03 EK= 0.59727E+02 SP= -.12E+02 SK= 0.21E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327641322102E+03 0.72090E+00 -0.17597E-01 8472 0.254E+01 0.252E-01 RMM: 2 -0.327668828618E+03 -0.27507E-01 -0.17441E-01 5033 0.946E-01 0.130E+00 RMM: 3 -0.327656161383E+03 0.12667E-01 -0.18400E-02 5526 0.287E-01 0.256E-01 RMM: 4 -0.327655655812E+03 0.50557E-03 -0.14364E-03 4909 0.794E-02 0.109E-01 RMM: 5 -0.327655611586E+03 0.44226E-04 -0.17660E-04 4289 0.320E-02 0.973E-02 RMM: 6 -0.327655567355E+03 0.44231E-04 -0.35649E-05 2868 0.180E-02 0.673E-02 RMM: 7 -0.327655605986E+03 -0.38631E-04 -0.83413E-05 3626 0.241E-02 0.109E-01 RMM: 8 -0.327655539716E+03 0.66271E-04 -0.94162E-05 3872 0.246E-02 0.447E-02 RMM: 9 -0.327655531052E+03 0.86633E-05 -0.18160E-05 2555 0.122E-02 8201 T= 7248. E= 0.67569784E+03 F= 0.62861346E+03 E0= 0.65712274E+03 EK= 0.59020E+02 SP= -.12E+02 SK= 0.81E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326971856975E+03 0.68368E+00 -0.16215E-01 8000 0.253E+01 0.243E-01 RMM: 2 -0.326995561882E+03 -0.23705E-01 -0.17109E-01 4817 0.959E-01 0.112E+00 RMM: 3 -0.326986388575E+03 0.91733E-02 -0.19015E-02 5714 0.277E-01 0.183E-01 RMM: 4 -0.326986166831E+03 0.22174E-03 -0.12380E-03 4929 0.784E-02 0.179E-01 RMM: 5 -0.326985973237E+03 0.19359E-03 -0.19642E-04 3931 0.362E-02 0.919E-02 RMM: 6 -0.326985919837E+03 0.53400E-04 -0.52349E-05 3221 0.211E-02 0.415E-02 RMM: 7 -0.326985922091E+03 -0.22541E-05 -0.22306E-05 2544 0.149E-02 8202 T= 7161. E= 0.67570096E+03 F= 0.62928307E+03 E0= 0.65778847E+03 EK= 0.58316E+02 SP= -.12E+02 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326381182363E+03 0.60474E+00 -0.14703E-01 7696 0.252E+01 0.183E-01 RMM: 2 -0.326399610711E+03 -0.18428E-01 -0.15309E-01 4751 0.916E-01 0.805E-01 RMM: 3 -0.326394695856E+03 0.49149E-02 -0.17669E-02 6006 0.249E-01 0.171E-01 RMM: 4 -0.326394294528E+03 0.40133E-03 -0.76427E-04 4832 0.646E-02 0.927E-02 RMM: 5 -0.326394261580E+03 0.32948E-04 -0.11221E-04 4062 0.292E-02 0.782E-02 RMM: 6 -0.326394241944E+03 0.19637E-04 -0.35251E-05 2811 0.183E-02 8203 T= 7080. E= 0.67570045E+03 F= 0.62987475E+03 E0= 0.65837884E+03 EK= 0.57658E+02 SP= -.12E+02 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325850516602E+03 0.54374E+00 -0.14997E-01 7728 0.251E+01 0.302E-01 RMM: 2 -0.325882704357E+03 -0.32188E-01 -0.14985E-01 4765 0.917E-01 0.166E+00 RMM: 3 -0.325862813928E+03 0.19890E-01 -0.18991E-02 5397 0.311E-01 0.253E-01 RMM: 4 -0.325862408572E+03 0.40536E-03 -0.17793E-03 4996 0.833E-02 0.111E-01 RMM: 5 -0.325862378151E+03 0.30421E-04 -0.20754E-04 4103 0.344E-02 0.102E-01 RMM: 6 -0.325862320176E+03 0.57974E-04 -0.47016E-05 3112 0.201E-02 0.536E-02 RMM: 7 -0.325862334662E+03 -0.14486E-04 -0.32088E-05 2785 0.175E-02 8204 T= 7004. E= 0.67569821E+03 F= 0.63040665E+03 E0= 0.65891139E+03 EK= 0.57036E+02 SP= -.12E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325334815391E+03 0.52750E+00 -0.14859E-01 7992 0.250E+01 0.361E-01 RMM: 2 -0.325370382285E+03 -0.35567E-01 -0.14226E-01 4896 0.897E-01 0.187E+00 RMM: 3 -0.325346048058E+03 0.24334E-01 -0.19085E-02 5371 0.325E-01 0.396E-01 RMM: 4 -0.325344952306E+03 0.10958E-02 -0.23327E-03 5160 0.102E-01 0.117E-01 RMM: 5 -0.325344997701E+03 -0.45395E-04 -0.31430E-04 3943 0.393E-02 0.145E-01 RMM: 6 -0.325344862092E+03 0.13561E-03 -0.81247E-05 3581 0.254E-02 0.526E-02 RMM: 7 -0.325344866188E+03 -0.40957E-05 -0.28257E-05 2756 0.157E-02 8205 T= 6927. E= 0.67569715E+03 F= 0.63092412E+03 E0= 0.65942901E+03 EK= 0.56409E+02 SP= -.12E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324799498537E+03 0.54536E+00 -0.14697E-01 8160 0.247E+01 0.313E-01 RMM: 2 -0.324831517372E+03 -0.32019E-01 -0.13688E-01 5194 0.817E-01 0.174E+00 RMM: 3 -0.324809978355E+03 0.21539E-01 -0.15115E-02 5364 0.283E-01 0.271E-01 RMM: 4 -0.324809505446E+03 0.47291E-03 -0.16192E-03 4910 0.788E-02 0.118E-01 RMM: 5 -0.324809442080E+03 0.63365E-04 -0.17948E-04 3923 0.344E-02 0.994E-02 RMM: 6 -0.324809388428E+03 0.53652E-04 -0.46601E-05 3130 0.201E-02 0.583E-02 RMM: 7 -0.324809405818E+03 -0.17390E-04 -0.31689E-05 2720 0.172E-02 8206 T= 6846. E= 0.67569837E+03 F= 0.63145958E+03 E0= 0.65996140E+03 EK= 0.55750E+02 SP= -.12E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324242508074E+03 0.56688E+00 -0.16319E-01 8040 0.245E+01 0.251E-01 RMM: 2 -0.324267567877E+03 -0.25060E-01 -0.17423E-01 5173 0.904E-01 0.117E+00 RMM: 3 -0.324256999147E+03 0.10569E-01 -0.16608E-02 5546 0.265E-01 0.275E-01 RMM: 4 -0.324256397184E+03 0.60196E-03 -0.13841E-03 4899 0.781E-02 0.113E-01 RMM: 5 -0.324256351540E+03 0.45644E-04 -0.18543E-04 3983 0.331E-02 0.100E-01 RMM: 6 -0.324256292576E+03 0.58964E-04 -0.44201E-05 3094 0.195E-02 0.564E-02 RMM: 7 -0.324256307043E+03 -0.14467E-04 -0.34040E-05 2770 0.175E-02 8207 T= 6762. E= 0.67570143E+03 F= 0.63201268E+03 E0= 0.66050708E+03 EK= 0.55063E+02 SP= -.11E+02 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323702234107E+03 0.55406E+00 -0.16107E-01 8416 0.241E+01 0.233E-01 RMM: 2 -0.323724764873E+03 -0.22531E-01 -0.16006E-01 5347 0.831E-01 0.110E+00 RMM: 3 -0.323715218702E+03 0.95462E-02 -0.14506E-02 5539 0.250E-01 0.212E-01 RMM: 4 -0.323714939305E+03 0.27940E-03 -0.11887E-03 4858 0.698E-02 0.129E-01 RMM: 5 -0.323714841697E+03 0.97608E-04 -0.16019E-04 3920 0.306E-02 0.917E-02 RMM: 6 -0.323714796174E+03 0.45524E-04 -0.40529E-05 3046 0.188E-02 0.583E-02 RMM: 7 -0.323714803035E+03 -0.68610E-05 -0.65929E-05 3420 0.214E-02 8208 T= 6678. E= 0.67570499E+03 F= 0.63255419E+03 E0= 0.66103720E+03 EK= 0.54380E+02 SP= -.11E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323210958946E+03 0.50384E+00 -0.17060E-01 8688 0.238E+01 0.214E-01 RMM: 2 -0.323232757290E+03 -0.21798E-01 -0.17332E-01 5329 0.854E-01 0.927E-01 RMM: 3 -0.323225379391E+03 0.73779E-02 -0.15627E-02 5754 0.240E-01 0.209E-01 RMM: 4 -0.323225010864E+03 0.36853E-03 -0.10714E-03 4807 0.688E-02 0.127E-01 RMM: 5 -0.323224915478E+03 0.95386E-04 -0.15850E-04 3895 0.300E-02 0.847E-02 RMM: 6 -0.323224877916E+03 0.37562E-04 -0.39492E-05 3031 0.187E-02 0.568E-02 RMM: 7 -0.323224887777E+03 -0.98612E-05 -0.55310E-05 3233 0.203E-02 8209 T= 6599. E= 0.67570700E+03 F= 0.63304410E+03 E0= 0.66151341E+03 EK= 0.53741E+02 SP= -.11E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322804424009E+03 0.42045E+00 -0.18610E-01 8792 0.236E+01 0.238E-01 RMM: 2 -0.322831075152E+03 -0.26651E-01 -0.18856E-01 5389 0.874E-01 0.116E+00 RMM: 3 -0.322819683527E+03 0.11392E-01 -0.14713E-02 5692 0.245E-01 0.219E-01 RMM: 4 -0.322819292565E+03 0.39096E-03 -0.11668E-03 4784 0.726E-02 0.120E-01 RMM: 5 -0.322819215023E+03 0.77542E-04 -0.16496E-04 4040 0.299E-02 0.909E-02 RMM: 6 -0.322819171471E+03 0.43552E-04 -0.37071E-05 2976 0.183E-02 0.541E-02 RMM: 7 -0.322819182379E+03 -0.10908E-04 -0.33418E-05 2753 0.167E-02 8210 T= 6531. E= 0.67570718E+03 F= 0.63344981E+03 E0= 0.66190545E+03 EK= 0.53183E+02 SP= -.11E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322497166039E+03 0.32201E+00 -0.20625E-01 8888 0.235E+01 0.229E-01 RMM: 2 -0.322523427542E+03 -0.26262E-01 -0.20745E-01 5497 0.895E-01 0.101E+00 RMM: 3 -0.322513938630E+03 0.94889E-02 -0.14801E-02 5633 0.246E-01 0.197E-01 RMM: 4 -0.322513630814E+03 0.30782E-03 -0.11259E-03 5037 0.677E-02 0.126E-01 RMM: 5 -0.322513542563E+03 0.88251E-04 -0.14975E-04 3961 0.298E-02 0.886E-02 RMM: 6 -0.322513498287E+03 0.44276E-04 -0.40703E-05 3052 0.187E-02 0.493E-02 RMM: 7 -0.322513513060E+03 -0.14773E-04 -0.48023E-05 3095 0.196E-02 8211 T= 6474. E= 0.67570657E+03 F= 0.63375548E+03 E0= 0.66219890E+03 EK= 0.52724E+02 SP= -.11E+02 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322294181847E+03 0.21932E+00 -0.22546E-01 8976 0.234E+01 0.225E-01 RMM: 2 -0.322319318451E+03 -0.25137E-01 -0.20659E-01 5684 0.876E-01 0.933E-01 RMM: 3 -0.322311021048E+03 0.82974E-02 -0.12966E-02 5860 0.227E-01 0.216E-01 RMM: 4 -0.322310644527E+03 0.37652E-03 -0.10331E-03 4760 0.684E-02 0.121E-01 RMM: 5 -0.322310577793E+03 0.66734E-04 -0.16016E-04 3912 0.303E-02 0.101E-01 RMM: 6 -0.322310519971E+03 0.57822E-04 -0.47778E-05 3176 0.204E-02 0.505E-02 RMM: 7 -0.322310540129E+03 -0.20158E-04 -0.38254E-05 2805 0.172E-02 0.808E-02 RMM: 8 -0.322310502659E+03 0.37470E-04 -0.56868E-05 3124 0.192E-02 0.331E-02 RMM: 9 -0.322310498728E+03 0.39309E-05 -0.16587E-05 2493 0.115E-02 8212 T= 6431. E= 0.67570563E+03 F= 0.63395849E+03 E0= 0.66239396E+03 EK= 0.52370E+02 SP= -.11E+02 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322187510829E+03 0.12299E+00 -0.26591E-01 8976 0.234E+01 0.207E-01 RMM: 2 -0.322215179514E+03 -0.27669E-01 -0.24021E-01 5665 0.975E-01 0.847E-01 RMM: 3 -0.322208001312E+03 0.71782E-02 -0.16215E-02 5884 0.238E-01 0.140E-01 RMM: 4 -0.322207817485E+03 0.18383E-03 -0.93503E-04 4863 0.667E-02 0.177E-01 RMM: 5 -0.322207593651E+03 0.22383E-03 -0.15610E-04 3899 0.310E-02 0.589E-02 RMM: 6 -0.322207581805E+03 0.11846E-04 -0.30949E-05 2849 0.161E-02 8213 T= 6400. E= 0.67570549E+03 F= 0.63406141E+03 E0= 0.66249332E+03 EK= 0.52120E+02 SP= -.11E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322194382881E+03 0.13211E-01 -0.26386E-01 8944 0.235E+01 0.251E-01 RMM: 2 -0.322227008143E+03 -0.32625E-01 -0.21473E-01 5857 0.906E-01 0.136E+00 RMM: 3 -0.322212419714E+03 0.14588E-01 -0.13005E-02 5546 0.244E-01 0.230E-01 RMM: 4 -0.322212052017E+03 0.36770E-03 -0.12203E-03 4924 0.694E-02 0.109E-01 RMM: 5 -0.322212007730E+03 0.44287E-04 -0.15422E-04 4250 0.282E-02 0.977E-02 RMM: 6 -0.322211972718E+03 0.35012E-04 -0.41397E-05 3071 0.186E-02 0.737E-02 RMM: 7 -0.322212035126E+03 -0.62408E-04 -0.83396E-05 3727 0.240E-02 0.118E-01 RMM: 8 -0.322211951743E+03 0.83383E-04 -0.10457E-04 3891 0.233E-02 0.354E-02 RMM: 9 -0.322211945981E+03 0.57620E-05 -0.15990E-05 2551 0.115E-02 8214 T= 6383. E= 0.67570609E+03 F= 0.63405704E+03 E0= 0.66249042E+03 EK= 0.51982E+02 SP= -.10E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322329372162E+03 -0.11742E+00 -0.27206E-01 8976 0.236E+01 0.321E-01 RMM: 2 -0.322367520416E+03 -0.38148E-01 -0.23343E-01 5363 0.978E-01 0.157E+00 RMM: 3 -0.322348562078E+03 0.18958E-01 -0.18288E-02 5578 0.285E-01 0.298E-01 RMM: 4 -0.322347980508E+03 0.58157E-03 -0.19946E-03 4921 0.964E-02 0.162E-01 RMM: 5 -0.322347886052E+03 0.94456E-04 -0.29110E-04 4209 0.364E-02 0.125E-01 RMM: 6 -0.322347784210E+03 0.10184E-03 -0.60524E-05 3331 0.223E-02 0.424E-02 RMM: 7 -0.322347790623E+03 -0.64128E-05 -0.27278E-05 2645 0.154E-02 8215 T= 6383. E= 0.67570765E+03 F= 0.63392120E+03 E0= 0.66236093E+03 EK= 0.51982E+02 SP= -.10E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322633056133E+03 -0.28527E+00 -0.27018E-01 8984 0.237E+01 0.199E-01 RMM: 2 -0.322657739800E+03 -0.24684E-01 -0.21253E-01 5674 0.937E-01 0.828E-01 RMM: 3 -0.322651531909E+03 0.62079E-02 -0.14170E-02 5954 0.229E-01 0.189E-01 RMM: 4 -0.322651158665E+03 0.37324E-03 -0.82660E-04 4855 0.615E-02 0.112E-01 RMM: 5 -0.322651091319E+03 0.67346E-04 -0.11809E-04 4095 0.254E-02 0.761E-02 RMM: 6 -0.322651077182E+03 0.14137E-04 -0.30702E-05 2802 0.167E-02 8216 T= 6404. E= 0.67570903E+03 F= 0.63361791E+03 E0= 0.66206842E+03 EK= 0.52152E+02 SP= -.10E+02 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323134410492E+03 -0.48332E+00 -0.25270E-01 8952 0.238E+01 0.401E-01 RMM: 2 -0.323184941193E+03 -0.50531E-01 -0.21002E-01 5239 0.976E-01 0.218E+00 RMM: 3 -0.323151089257E+03 0.33852E-01 -0.23140E-02 5379 0.351E-01 0.367E-01 RMM: 4 -0.323150113086E+03 0.97617E-03 -0.26674E-03 5235 0.100E-01 0.111E-01 RMM: 5 -0.323150079160E+03 0.33925E-04 -0.28468E-04 4040 0.360E-02 0.113E-01 RMM: 6 -0.323150009570E+03 0.69591E-04 -0.56705E-05 3281 0.213E-02 0.648E-02 RMM: 7 -0.323150025382E+03 -0.15813E-04 -0.35541E-05 2862 0.174E-02 8217 T= 6449. E= 0.67570796E+03 F= 0.63311896E+03 E0= 0.66158265E+03 EK= 0.52519E+02 SP= -.10E+02 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323825189929E+03 -0.67518E+00 -0.22941E-01 8872 0.241E+01 0.369E-01 RMM: 2 -0.323865753465E+03 -0.40564E-01 -0.19147E-01 5151 0.945E-01 0.187E+00 RMM: 3 -0.323840884449E+03 0.24869E-01 -0.20330E-02 5384 0.326E-01 0.397E-01 RMM: 4 -0.323839764956E+03 0.11195E-02 -0.24677E-03 5099 0.102E-01 0.117E-01 RMM: 5 -0.323839809736E+03 -0.44780E-04 -0.33550E-04 3948 0.408E-02 0.147E-01 RMM: 6 -0.323839670746E+03 0.13899E-03 -0.84744E-05 3590 0.255E-02 0.484E-02 RMM: 7 -0.323839670882E+03 -0.13572E-06 -0.24250E-05 2597 0.146E-02 8218 T= 6517. E= 0.67570368E+03 F= 0.63242932E+03 E0= 0.66090756E+03 EK= 0.53074E+02 SP= -.98E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324650167970E+03 -0.81050E+00 -0.20127E-01 8872 0.243E+01 0.331E-01 RMM: 2 -0.324686435393E+03 -0.36267E-01 -0.17584E-01 5136 0.915E-01 0.175E+00 RMM: 3 -0.324664292062E+03 0.22143E-01 -0.18642E-02 5394 0.308E-01 0.290E-01 RMM: 4 -0.324663697644E+03 0.59442E-03 -0.20205E-03 5171 0.842E-02 0.107E-01 RMM: 5 -0.324663650469E+03 0.47176E-04 -0.20691E-04 3899 0.365E-02 0.104E-01 RMM: 6 -0.324663584124E+03 0.66345E-04 -0.52334E-05 3201 0.209E-02 0.534E-02 RMM: 7 -0.324663596766E+03 -0.12641E-04 -0.30257E-05 2635 0.167E-02 8219 T= 6601. E= 0.67569587E+03 F= 0.63160539E+03 E0= 0.66009830E+03 EK= 0.53758E+02 SP= -.97E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325500595179E+03 -0.83701E+00 -0.17074E-01 8760 0.246E+01 0.243E-01 RMM: 2 -0.325524030871E+03 -0.23436E-01 -0.15736E-01 5117 0.863E-01 0.117E+00 RMM: 3 -0.325513803968E+03 0.10227E-01 -0.14855E-02 5604 0.257E-01 0.235E-01 RMM: 4 -0.325513362018E+03 0.44195E-03 -0.12318E-03 4920 0.714E-02 0.107E-01 RMM: 5 -0.325513314878E+03 0.47141E-04 -0.16473E-04 3890 0.335E-02 0.882E-02 RMM: 6 -0.325513267888E+03 0.46990E-04 -0.41495E-05 3052 0.189E-02 0.456E-02 RMM: 7 -0.325513274048E+03 -0.61604E-05 -0.22719E-05 2549 0.151E-02 8220 T= 6688. E= 0.67568610E+03 F= 0.63075572E+03 E0= 0.65926155E+03 EK= 0.54460E+02 SP= -.96E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326234636307E+03 -0.72137E+00 -0.16195E-01 8224 0.248E+01 0.201E-01 RMM: 2 -0.326255177024E+03 -0.20541E-01 -0.17050E-01 4993 0.922E-01 0.863E-01 RMM: 3 -0.326249389119E+03 0.57879E-02 -0.16947E-02 6042 0.247E-01 0.176E-01 RMM: 4 -0.326248977015E+03 0.41210E-03 -0.85465E-04 4868 0.651E-02 0.122E-01 RMM: 5 -0.326248886871E+03 0.90144E-04 -0.12735E-04 3827 0.303E-02 0.798E-02 RMM: 6 -0.326248857902E+03 0.28969E-04 -0.30694E-05 2680 0.165E-02 0.579E-02 RMM: 7 -0.326248851309E+03 0.65928E-05 -0.44732E-05 2904 0.186E-02 8221 T= 6759. E= 0.67567599E+03 F= 0.63002014E+03 E0= 0.65853862E+03 EK= 0.55038E+02 SP= -.94E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326715078212E+03 -0.46622E+00 -0.14531E-01 8312 0.249E+01 0.203E-01 RMM: 2 -0.326734331255E+03 -0.19253E-01 -0.13951E-01 5117 0.824E-01 0.997E-01 RMM: 3 -0.326726840478E+03 0.74908E-02 -0.13542E-02 5852 0.229E-01 0.183E-01 RMM: 4 -0.326726519600E+03 0.32088E-03 -0.85202E-04 4745 0.641E-02 0.126E-01 RMM: 5 -0.326726423408E+03 0.96191E-04 -0.13339E-04 3847 0.310E-02 0.759E-02 RMM: 6 -0.326726398230E+03 0.25178E-04 -0.31295E-05 2809 0.167E-02 0.564E-02 RMM: 7 -0.326726396728E+03 0.15020E-05 -0.29817E-05 2623 0.163E-02 8222 T= 6797. E= 0.67566830E+03 F= 0.62954259E+03 E0= 0.65807165E+03 EK= 0.55350E+02 SP= -.93E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326823107357E+03 -0.96709E-01 -0.14348E-01 8016 0.250E+01 0.183E-01 RMM: 2 -0.326840217598E+03 -0.17110E-01 -0.14353E-01 5056 0.840E-01 0.784E-01 RMM: 3 -0.326835413963E+03 0.48036E-02 -0.14312E-02 6053 0.224E-01 0.171E-01 RMM: 4 -0.326835070043E+03 0.34392E-03 -0.72729E-04 4707 0.623E-02 0.127E-01 RMM: 5 -0.326834963231E+03 0.10681E-03 -0.11823E-04 3769 0.295E-02 0.729E-02 RMM: 6 -0.326834943644E+03 0.19587E-04 -0.25899E-05 2579 0.151E-02 8223 T= 6789. E= 0.67566501E+03 F= 0.62943405E+03 E0= 0.65797169E+03 EK= 0.55284E+02 SP= -.91E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326511199297E+03 0.32376E+00 -0.14324E-01 8160 0.249E+01 0.198E-01 RMM: 2 -0.326531529866E+03 -0.20331E-01 -0.14197E-01 5029 0.840E-01 0.104E+00 RMM: 3 -0.326523358419E+03 0.81714E-02 -0.14822E-02 5735 0.239E-01 0.181E-01 RMM: 4 -0.326523001529E+03 0.35689E-03 -0.87840E-04 5145 0.602E-02 0.983E-02 RMM: 5 -0.326522945341E+03 0.56188E-04 -0.88790E-05 3688 0.260E-02 0.806E-02 RMM: 6 -0.326522935424E+03 0.99174E-05 -0.24538E-05 2546 0.147E-02 8224 T= 6728. E= 0.67566643E+03 F= 0.62974605E+03 E0= 0.65828990E+03 EK= 0.54792E+02 SP= -.89E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325797342286E+03 0.72560E+00 -0.13797E-01 8080 0.247E+01 0.380E-01 RMM: 2 -0.325840866898E+03 -0.43525E-01 -0.13188E-01 4925 0.855E-01 0.220E+00 RMM: 3 -0.325807600865E+03 0.33266E-01 -0.20490E-02 5376 0.341E-01 0.379E-01 RMM: 4 -0.325806521846E+03 0.10790E-02 -0.24131E-03 5227 0.101E-01 0.103E-01 RMM: 5 -0.325806488856E+03 0.32990E-04 -0.26120E-04 4205 0.321E-02 0.101E-01 RMM: 6 -0.325806428177E+03 0.60680E-04 -0.33221E-05 2823 0.175E-02 0.584E-02 RMM: 7 -0.325806437020E+03 -0.88436E-05 -0.26362E-05 2584 0.146E-02 8225 T= 6618. E= 0.67567217E+03 F= 0.63046255E+03 E0= 0.65901050E+03 EK= 0.53893E+02 SP= -.88E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324753597838E+03 0.10528E+01 -0.13935E-01 8200 0.244E+01 0.317E-01 RMM: 2 -0.324787276314E+03 -0.33678E-01 -0.14041E-01 4879 0.849E-01 0.177E+00 RMM: 3 -0.324764823266E+03 0.22453E-01 -0.17742E-02 5397 0.303E-01 0.314E-01 RMM: 4 -0.324764145171E+03 0.67810E-03 -0.20557E-03 5110 0.938E-02 0.129E-01 RMM: 5 -0.324764159792E+03 -0.14621E-04 -0.27404E-04 3899 0.388E-02 0.143E-01 RMM: 6 -0.324764023062E+03 0.13673E-03 -0.79916E-05 3551 0.256E-02 0.430E-02 RMM: 7 -0.324764024722E+03 -0.16596E-05 -0.22724E-05 2558 0.140E-02 8226 T= 6468. E= 0.67568078E+03 F= 0.63150496E+03 E0= 0.66005221E+03 EK= 0.52670E+02 SP= -.86E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323507274567E+03 0.12567E+01 -0.13062E-01 8184 0.240E+01 0.239E-01 RMM: 2 -0.323530023925E+03 -0.22749E-01 -0.12642E-01 4998 0.790E-01 0.129E+00 RMM: 3 -0.323517555212E+03 0.12469E-01 -0.13870E-02 5479 0.253E-01 0.233E-01 RMM: 4 -0.323517140347E+03 0.41487E-03 -0.11928E-03 5036 0.681E-02 0.884E-02 RMM: 5 -0.323517086654E+03 0.53693E-04 -0.12266E-04 3781 0.294E-02 0.743E-02 RMM: 6 -0.323517053660E+03 0.32994E-04 -0.26472E-05 2591 0.151E-02 0.508E-02 RMM: 7 -0.323517051848E+03 0.18113E-05 -0.22803E-05 2563 0.144E-02 8227 T= 6293. E= 0.67569133E+03 F= 0.63275194E+03 E0= 0.66129482E+03 EK= 0.51251E+02 SP= -.84E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322203595843E+03 0.13135E+01 -0.12844E-01 8600 0.236E+01 0.203E-01 RMM: 2 -0.322220429562E+03 -0.16834E-01 -0.10632E-01 5044 0.730E-01 0.106E+00 RMM: 3 -0.322212336415E+03 0.80931E-02 -0.10952E-02 5612 0.221E-01 0.208E-01 RMM: 4 -0.322211980307E+03 0.35611E-03 -0.84557E-04 4817 0.606E-02 0.787E-02 RMM: 5 -0.322211951352E+03 0.28955E-04 -0.10581E-04 3738 0.274E-02 0.714E-02 RMM: 6 -0.322211921948E+03 0.29404E-04 -0.25758E-05 2621 0.153E-02 0.430E-02 RMM: 7 -0.322211924549E+03 -0.26006E-05 -0.18061E-05 2523 0.132E-02 8228 T= 6114. E= 0.67570162E+03 F= 0.63405706E+03 E0= 0.66259260E+03 EK= 0.49785E+02 SP= -.82E+01 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320990404103E+03 0.12215E+01 -0.12720E-01 8328 0.232E+01 0.203E-01 RMM: 2 -0.321007223981E+03 -0.16820E-01 -0.11664E-01 4920 0.775E-01 0.981E-01 RMM: 3 -0.321000164043E+03 0.70599E-02 -0.12469E-02 5759 0.227E-01 0.216E-01 RMM: 4 -0.320999760832E+03 0.40321E-03 -0.84932E-04 4780 0.631E-02 0.917E-02 RMM: 5 -0.320999714480E+03 0.46352E-04 -0.11753E-04 3794 0.281E-02 0.747E-02 RMM: 6 -0.320999680644E+03 0.33836E-04 -0.26784E-05 2642 0.155E-02 0.450E-02 RMM: 7 -0.320999679477E+03 0.11668E-05 -0.23058E-05 2558 0.144E-02 8229 T= 5947. E= 0.67571065E+03 F= 0.63526931E+03 E0= 0.66379607E+03 EK= 0.48430E+02 SP= -.80E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320009552741E+03 0.99013E+00 -0.11489E-01 8304 0.230E+01 0.206E-01 RMM: 2 -0.320024842593E+03 -0.15290E-01 -0.10434E-01 4992 0.739E-01 0.955E-01 RMM: 3 -0.320018168663E+03 0.66739E-02 -0.11416E-02 5688 0.223E-01 0.204E-01 RMM: 4 -0.320017815897E+03 0.35277E-03 -0.82894E-04 4886 0.594E-02 0.816E-02 RMM: 5 -0.320017784312E+03 0.31585E-04 -0.10553E-04 3728 0.271E-02 0.778E-02 RMM: 6 -0.320017750710E+03 0.33602E-04 -0.26600E-05 2650 0.157E-02 0.466E-02 RMM: 7 -0.320017751895E+03 -0.11846E-05 -0.19504E-05 2522 0.136E-02 8230 T= 5812. E= 0.67571844E+03 F= 0.63625124E+03 E0= 0.66476950E+03 EK= 0.47326E+02 SP= -.79E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319370572352E+03 0.64718E+00 -0.11564E-01 7960 0.228E+01 0.209E-01 RMM: 2 -0.319387887957E+03 -0.17316E-01 -0.11838E-01 4867 0.808E-01 0.101E+00 RMM: 3 -0.319380623715E+03 0.72642E-02 -0.13490E-02 5727 0.236E-01 0.220E-01 RMM: 4 -0.319380185166E+03 0.43855E-03 -0.90420E-04 4940 0.637E-02 0.836E-02 RMM: 5 -0.319380152863E+03 0.32302E-04 -0.12148E-04 3840 0.286E-02 0.755E-02 RMM: 6 -0.319380119587E+03 0.33276E-04 -0.26777E-05 2633 0.154E-02 0.456E-02 RMM: 7 -0.319380119610E+03 -0.22879E-07 -0.20675E-05 2530 0.142E-02 8231 T= 5721. E= 0.67572367E+03 F= 0.63688887E+03 E0= 0.66540051E+03 EK= 0.46591E+02 SP= -.78E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319157086333E+03 0.22303E+00 -0.10973E-01 8024 0.227E+01 0.219E-01 RMM: 2 -0.319173050339E+03 -0.15964E-01 -0.10366E-01 5004 0.758E-01 0.102E+00 RMM: 3 -0.319165663493E+03 0.73868E-02 -0.12054E-02 5628 0.229E-01 0.205E-01 RMM: 4 -0.319165307686E+03 0.35581E-03 -0.90342E-04 4877 0.614E-02 0.842E-02 RMM: 5 -0.319165277375E+03 0.30311E-04 -0.11450E-04 3799 0.282E-02 0.812E-02 RMM: 6 -0.319165237346E+03 0.40029E-04 -0.28660E-05 2745 0.160E-02 0.433E-02 RMM: 7 -0.319165237471E+03 -0.12564E-06 -0.19100E-05 2522 0.135E-02 8232 T= 5686. E= 0.67572586E+03 F= 0.63710375E+03 E0= 0.66561066E+03 EK= 0.46302E+02 SP= -.77E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319398218367E+03 -0.23298E+00 -0.10689E-01 7880 0.228E+01 0.227E-01 RMM: 2 -0.319415277105E+03 -0.17059E-01 -0.99652E-02 4981 0.761E-01 0.113E+00 RMM: 3 -0.319406540235E+03 0.87369E-02 -0.11911E-02 5597 0.230E-01 0.248E-01 RMM: 4 -0.319406045927E+03 0.49431E-03 -0.95804E-04 4776 0.649E-02 0.766E-02 RMM: 5 -0.319406033804E+03 0.12123E-04 -0.13032E-04 3869 0.290E-02 8233 T= 5709. E= 0.67572476E+03 F= 0.63686296E+03 E0= 0.66536677E+03 EK= 0.46493E+02 SP= -.76E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.320069892714E+03 -0.66385E+00 -0.10637E-01 7912 0.229E+01 0.144E-01 RMM: 2 -0.320081421068E+03 -0.11528E-01 -0.95599E-02 5049 0.717E-01 0.648E-01 RMM: 3 -0.320078325331E+03 0.30957E-02 -0.10158E-02 5841 0.183E-01 0.154E-01 RMM: 4 -0.320078053235E+03 0.27210E-03 -0.50445E-04 4505 0.508E-02 0.894E-02 RMM: 5 -0.320078007921E+03 0.45315E-04 -0.64470E-05 3308 0.228E-02 0.783E-02 RMM: 6 -0.320077989801E+03 0.18120E-04 -0.32235E-05 2625 0.170E-02 8234 T= 5788. E= 0.67571965E+03 F= 0.63619100E+03 E0= 0.66469151E+03 EK= 0.47138E+02 SP= -.76E+01 SK= 0.27E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.321087406545E+03 -0.10094E+01 -0.11306E-01 7528 0.232E+01 0.388E-01 RMM: 2 -0.321134640486E+03 -0.47234E-01 -0.12414E-01 4910 0.856E-01 0.235E+00 RMM: 3 -0.321096629181E+03 0.38011E-01 -0.20611E-02 5353 0.349E-01 0.350E-01 RMM: 4 -0.321095732101E+03 0.89708E-03 -0.22912E-03 5190 0.919E-02 0.900E-02 RMM: 5 -0.321095787698E+03 -0.55597E-04 -0.26927E-04 3910 0.382E-02 0.138E-01 RMM: 6 -0.321095662136E+03 0.12556E-03 -0.67654E-05 3445 0.237E-02 0.476E-02 RMM: 7 -0.321095652355E+03 0.97807E-05 -0.20292E-05 2540 0.135E-02 8235 T= 5912. E= 0.67571012E+03 F= 0.63517334E+03 E0= 0.66366924E+03 EK= 0.48148E+02 SP= -.76E+01 SK= 0.36E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322313421057E+03 -0.12178E+01 -0.10921E-01 7680 0.235E+01 0.423E-01 RMM: 2 -0.322369339151E+03 -0.55918E-01 -0.10593E-01 5168 0.814E-01 0.266E+00 RMM: 3 -0.322320351582E+03 0.48988E-01 -0.20042E-02 5347 0.359E-01 0.334E-01 RMM: 4 -0.322319554181E+03 0.79740E-03 -0.22865E-03 4984 0.947E-02 0.137E-01 RMM: 5 -0.322319495815E+03 0.58366E-04 -0.26443E-04 3902 0.398E-02 0.130E-01 RMM: 6 -0.322319378747E+03 0.11707E-03 -0.75404E-05 3542 0.254E-02 0.491E-02 RMM: 7 -0.322319370681E+03 0.80659E-05 -0.21378E-05 2558 0.138E-02 8236 T= 6064. E= 0.67569856E+03 F= 0.63394962E+03 E0= 0.66243783E+03 EK= 0.49383E+02 SP= -.76E+01 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323571961184E+03 -0.12526E+01 -0.11525E-01 8048 0.239E+01 0.248E-01 RMM: 2 -0.323591475617E+03 -0.19514E-01 -0.10503E-01 5126 0.765E-01 0.126E+00 RMM: 3 -0.323580487939E+03 0.10988E-01 -0.12418E-02 5431 0.246E-01 0.253E-01 RMM: 4 -0.323580034552E+03 0.45339E-03 -0.11896E-03 4852 0.699E-02 0.965E-02 RMM: 5 -0.323579991899E+03 0.42653E-04 -0.14941E-04 3877 0.321E-02 0.852E-02 RMM: 6 -0.323579947859E+03 0.44040E-04 -0.32178E-05 2793 0.171E-02 0.493E-02 RMM: 7 -0.323579945664E+03 0.21953E-05 -0.17232E-05 2514 0.132E-02 8237 T= 6222. E= 0.67568754E+03 F= 0.63268904E+03 E0= 0.66116619E+03 EK= 0.50672E+02 SP= -.77E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324710260635E+03 -0.11303E+01 -0.11937E-01 8352 0.242E+01 0.220E-01 RMM: 2 -0.324726133769E+03 -0.15873E-01 -0.10544E-01 5212 0.765E-01 0.102E+00 RMM: 3 -0.324718945793E+03 0.71880E-02 -0.11466E-02 5678 0.221E-01 0.200E-01 RMM: 4 -0.324718645077E+03 0.30072E-03 -0.89374E-04 4709 0.646E-02 0.129E-01 RMM: 5 -0.324718530010E+03 0.11507E-03 -0.13341E-04 3872 0.304E-02 0.806E-02 RMM: 6 -0.324718499770E+03 0.30240E-04 -0.26537E-05 2577 0.156E-02 0.553E-02 RMM: 7 -0.324718487084E+03 0.12686E-04 -0.24007E-05 2580 0.146E-02 8238 T= 6367. E= 0.67567889E+03 F= 0.63155050E+03 E0= 0.66001323E+03 EK= 0.51852E+02 SP= -.77E+01 SK= 0.60E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325608682822E+03 -0.89018E+00 -0.12372E-01 8528 0.244E+01 0.190E-01 RMM: 2 -0.325623074963E+03 -0.14392E-01 -0.11301E-01 5210 0.778E-01 0.816E-01 RMM: 3 -0.325618185554E+03 0.48894E-02 -0.11673E-02 5859 0.211E-01 0.176E-01 RMM: 4 -0.325617883897E+03 0.30166E-03 -0.69329E-04 4743 0.590E-02 0.117E-01 RMM: 5 -0.325617796535E+03 0.87362E-04 -0.11127E-04 3790 0.281E-02 0.787E-02 RMM: 6 -0.325617771329E+03 0.25206E-04 -0.26089E-05 2580 0.154E-02 0.606E-02 RMM: 7 -0.325617759995E+03 0.11334E-04 -0.27598E-05 2621 0.151E-02 8239 T= 6484. E= 0.67567434E+03 F= 0.63065123E+03 E0= 0.65909813E+03 EK= 0.52803E+02 SP= -.78E+01 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326211893290E+03 -0.59412E+00 -0.12356E-01 8552 0.245E+01 0.195E-01 RMM: 2 -0.326227179806E+03 -0.15287E-01 -0.11608E-01 5176 0.775E-01 0.881E-01 RMM: 3 -0.326221466369E+03 0.57134E-02 -0.11835E-02 5868 0.215E-01 0.173E-01 RMM: 4 -0.326221210722E+03 0.25565E-03 -0.74930E-04 4768 0.597E-02 0.120E-01 RMM: 5 -0.326221110811E+03 0.99911E-04 -0.11295E-04 3776 0.284E-02 0.727E-02 RMM: 6 -0.326221090509E+03 0.20301E-04 -0.27812E-05 2604 0.155E-02 0.572E-02 RMM: 7 -0.326221082308E+03 0.82018E-05 -0.32554E-05 2642 0.159E-02 8240 T= 6565. E= 0.67567403E+03 F= 0.63004791E+03 E0= 0.65847956E+03 EK= 0.53464E+02 SP= -.78E+01 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326522692064E+03 -0.30160E+00 -0.13251E-01 8160 0.245E+01 0.179E-01 RMM: 2 -0.326539794744E+03 -0.17103E-01 -0.14210E-01 5002 0.850E-01 0.786E-01 RMM: 3 -0.326534764181E+03 0.50306E-02 -0.14484E-02 6037 0.224E-01 0.172E-01 RMM: 4 -0.326534388335E+03 0.37585E-03 -0.70789E-04 4772 0.615E-02 0.106E-01 RMM: 5 -0.326534317549E+03 0.70785E-04 -0.10633E-04 3697 0.282E-02 0.743E-02 RMM: 6 -0.326534290969E+03 0.26580E-04 -0.28874E-05 2671 0.164E-02 0.507E-02 RMM: 7 -0.326534287724E+03 0.32454E-05 -0.28879E-05 2612 0.152E-02 8241 T= 6611. E= 0.67567728E+03 F= 0.62973470E+03 E0= 0.65815401E+03 EK= 0.53836E+02 SP= -.79E+01 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326605564659E+03 -0.71274E-01 -0.12386E-01 8280 0.243E+01 0.192E-01 RMM: 2 -0.326621252358E+03 -0.15688E-01 -0.11966E-01 5087 0.786E-01 0.874E-01 RMM: 3 -0.326615410178E+03 0.58422E-02 -0.11969E-02 5899 0.219E-01 0.179E-01 RMM: 4 -0.326615093269E+03 0.31691E-03 -0.71192E-04 4802 0.583E-02 0.952E-02 RMM: 5 -0.326615039894E+03 0.53375E-04 -0.95742E-05 3732 0.260E-02 0.714E-02 RMM: 6 -0.326615015784E+03 0.24111E-04 -0.24770E-05 2571 0.151E-02 0.475E-02 RMM: 7 -0.326615018179E+03 -0.23956E-05 -0.27061E-05 2616 0.148E-02 8242 T= 6628. E= 0.67568291E+03 F= 0.62965397E+03 E0= 0.65806558E+03 EK= 0.53974E+02 SP= -.79E+01 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326546528889E+03 0.68487E-01 -0.12694E-01 8240 0.241E+01 0.193E-01 RMM: 2 -0.326563432833E+03 -0.16904E-01 -0.13334E-01 5018 0.835E-01 0.848E-01 RMM: 3 -0.326557827195E+03 0.56056E-02 -0.13901E-02 5898 0.229E-01 0.196E-01 RMM: 4 -0.326557430875E+03 0.39632E-03 -0.77600E-04 4788 0.630E-02 0.977E-02 RMM: 5 -0.326557383985E+03 0.46890E-04 -0.11599E-04 3750 0.283E-02 0.799E-02 RMM: 6 -0.326557348021E+03 0.35964E-04 -0.30652E-05 2788 0.171E-02 0.429E-02 RMM: 7 -0.326557350008E+03 -0.19876E-05 -0.23175E-05 2541 0.145E-02 8243 T= 6627. E= 0.67568980E+03 F= 0.62971164E+03 E0= 0.65812140E+03 EK= 0.53970E+02 SP= -.80E+01 SK= 0.38E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326461483479E+03 0.95865E-01 -0.11875E-01 8072 0.240E+01 0.220E-01 RMM: 2 -0.326478814048E+03 -0.17331E-01 -0.11588E-01 5090 0.790E-01 0.103E+00 RMM: 3 -0.326470997615E+03 0.78164E-02 -0.12355E-02 5804 0.229E-01 0.205E-01 RMM: 4 -0.326470625383E+03 0.37223E-03 -0.85084E-04 4728 0.639E-02 0.944E-02 RMM: 5 -0.326470587061E+03 0.38322E-04 -0.11835E-04 3813 0.281E-02 0.818E-02 RMM: 6 -0.326470549543E+03 0.37518E-04 -0.28195E-05 2681 0.164E-02 0.441E-02 RMM: 7 -0.326470552156E+03 -0.26124E-05 -0.18964E-05 2526 0.133E-02 8244 T= 6623. E= 0.67569639E+03 F= 0.62979844E+03 E0= 0.65821164E+03 EK= 0.53932E+02 SP= -.80E+01 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326442408124E+03 0.28141E-01 -0.11321E-01 8080 0.238E+01 0.198E-01 RMM: 2 -0.326457723744E+03 -0.15316E-01 -0.11394E-01 5032 0.784E-01 0.885E-01 RMM: 3 -0.326452019836E+03 0.57039E-02 -0.12196E-02 5783 0.221E-01 0.189E-01 RMM: 4 -0.326451679123E+03 0.34071E-03 -0.73845E-04 4818 0.594E-02 0.884E-02 RMM: 5 -0.326451647852E+03 0.31272E-04 -0.10877E-04 3774 0.277E-02 0.800E-02 RMM: 6 -0.326451610982E+03 0.36870E-04 -0.29037E-05 2735 0.167E-02 0.401E-02 RMM: 7 -0.326451614698E+03 -0.37165E-05 -0.19063E-05 2518 0.133E-02 8245 T= 6625. E= 0.67570059E+03 F= 0.62981737E+03 E0= 0.65823887E+03 EK= 0.53954E+02 SP= -.81E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326552992135E+03 -0.10138E+00 -0.11088E-01 7752 0.238E+01 0.211E-01 RMM: 2 -0.326568022634E+03 -0.15030E-01 -0.10040E-01 5049 0.757E-01 0.976E-01 RMM: 3 -0.326561223722E+03 0.67989E-02 -0.10881E-02 5699 0.217E-01 0.186E-01 RMM: 4 -0.326560924196E+03 0.29953E-03 -0.75907E-04 4721 0.608E-02 0.899E-02 RMM: 5 -0.326560898068E+03 0.26128E-04 -0.11073E-04 3770 0.278E-02 0.821E-02 RMM: 6 -0.326560857051E+03 0.41017E-04 -0.29230E-05 2754 0.168E-02 0.361E-02 RMM: 7 -0.326560859383E+03 -0.23325E-05 -0.14781E-05 2502 0.119E-02 8246 T= 6643. E= 0.67570187E+03 F= 0.62970813E+03 E0= 0.65814151E+03 EK= 0.54097E+02 SP= -.81E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326803725017E+03 -0.24287E+00 -0.11003E-01 7816 0.238E+01 0.184E-01 RMM: 2 -0.326816345381E+03 -0.12620E-01 -0.96721E-02 4999 0.743E-01 0.800E-01 RMM: 3 -0.326811813479E+03 0.45319E-02 -0.10331E-02 5721 0.207E-01 0.153E-01 RMM: 4 -0.326811598931E+03 0.21455E-03 -0.60542E-04 4794 0.538E-02 0.914E-02 RMM: 5 -0.326811560014E+03 0.38918E-04 -0.88707E-05 3607 0.261E-02 0.760E-02 RMM: 6 -0.326811526491E+03 0.33523E-04 -0.27797E-05 2646 0.164E-02 0.363E-02 RMM: 7 -0.326811528471E+03 -0.19809E-05 -0.21994E-05 2515 0.144E-02 8247 T= 6677. E= 0.67569960E+03 F= 0.62945746E+03 E0= 0.65790510E+03 EK= 0.54372E+02 SP= -.81E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327162453164E+03 -0.35093E+00 -0.11430E-01 7968 0.240E+01 0.179E-01 RMM: 2 -0.327174626371E+03 -0.12173E-01 -0.92278E-02 5078 0.724E-01 0.798E-01 RMM: 3 -0.327170128985E+03 0.44974E-02 -0.95003E-03 5778 0.199E-01 0.167E-01 RMM: 4 -0.327169895695E+03 0.23329E-03 -0.59050E-04 4670 0.552E-02 0.930E-02 RMM: 5 -0.327169848855E+03 0.46840E-04 -0.93060E-05 3633 0.260E-02 0.738E-02 RMM: 6 -0.327169819436E+03 0.29418E-04 -0.26726E-05 2632 0.161E-02 0.399E-02 RMM: 7 -0.327169821463E+03 -0.20265E-05 -0.18870E-05 2515 0.133E-02 8248 T= 6723. E= 0.67569514E+03 F= 0.62909917E+03 E0= 0.65756190E+03 EK= 0.54746E+02 SP= -.82E+01 SK= 0.46E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327563356607E+03 -0.39354E+00 -0.12424E-01 8024 0.242E+01 0.169E-01 RMM: 2 -0.327575954739E+03 -0.12598E-01 -0.10713E-01 5031 0.774E-01 0.693E-01 RMM: 3 -0.327572418979E+03 0.35358E-02 -0.11221E-02 5939 0.207E-01 0.149E-01 RMM: 4 -0.327572193893E+03 0.22509E-03 -0.55520E-04 4714 0.541E-02 0.105E-01 RMM: 5 -0.327572121016E+03 0.72877E-04 -0.88594E-05 3612 0.265E-02 0.681E-02 RMM: 6 -0.327572101265E+03 0.19751E-04 -0.24815E-05 2558 0.152E-02 8249 T= 6773. E= 0.67569014E+03 F= 0.62869689E+03 E0= 0.65717426E+03 EK= 0.55154E+02 SP= -.82E+01 SK= 0.63E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.327934981132E+03 -0.36286E+00 -0.12905E-01 8128 0.244E+01 0.199E-01 RMM: 2 -0.327951226041E+03 -0.16245E-01 -0.11336E-01 4992 0.791E-01 0.965E-01 RMM: 3 -0.327944563492E+03 0.66625E-02 -0.12627E-02 5701 0.234E-01 0.178E-01 RMM: 4 -0.327944292015E+03 0.27148E-03 -0.79723E-04 4842 0.601E-02 0.916E-02 RMM: 5 -0.327944238253E+03 0.53762E-04 -0.98741E-05 3844 0.266E-02 0.722E-02 RMM: 6 -0.327944222758E+03 0.15495E-04 -0.25098E-05 2557 0.151E-02 8250 T= 6818. E= 0.67568621E+03 F= 0.62832477E+03 E0= 0.65681611E+03 EK= 0.55523E+02 SP= -.82E+01 SK= 0.66E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.328212938582E+03 -0.26870E+00 -0.13181E-01 8112 0.245E+01 0.283E-01 RMM: 2 -0.328239309768E+03 -0.26371E-01 -0.12034E-01 4969 0.835E-01 0.155E+00 RMM: 3 -0.328222777618E+03 0.16532E-01 -0.15975E-02 5449 0.289E-01 0.279E-01 RMM: 4 -0.328222221455E+03 0.55616E-03 -0.14970E-03 4884 0.798E-02 0.940E-02 RMM: 5 -0.328222186622E+03 0.34833E-04 -0.16959E-04 4031 0.315E-02 0.974E-02 RMM: 6 -0.328222138390E+03 0.48232E-04 -0.32206E-05 2650 0.174E-02 0.597E-02 RMM: 7 -0.328222147029E+03 -0.86394E-05 -0.32606E-05 2780 0.176E-02 8251 T= 6850. E= 0.67568296E+03 F= 0.62804684E+03 E0= 0.65655198E+03 EK= 0.55785E+02 SP= -.81E+01 SK= 0.69E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328353877484E+03 -0.13174E+00 -0.13321E-01 8192 0.247E+01 0.289E-01 RMM: 2 -0.328380632374E+03 -0.26755E-01 -0.12618E-01 4896 0.837E-01 0.154E+00 RMM: 3 -0.328364131347E+03 0.16501E-01 -0.16186E-02 5460 0.288E-01 0.288E-01 RMM: 4 -0.328363587193E+03 0.54415E-03 -0.16986E-03 5016 0.888E-02 0.127E-01 RMM: 5 -0.328363601298E+03 -0.14105E-04 -0.24408E-04 3900 0.375E-02 0.139E-01 RMM: 6 -0.328363469021E+03 0.13228E-03 -0.70529E-05 3464 0.244E-02 0.347E-02 RMM: 7 -0.328363475429E+03 -0.64080E-05 -0.22766E-05 2563 0.143E-02 8252 T= 6864. E= 0.67568171E+03 F= 0.62790551E+03 E0= 0.65642516E+03 EK= 0.55898E+02 SP= -.81E+01 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328343012514E+03 0.20457E-01 -0.14205E-01 8120 0.247E+01 0.210E-01 RMM: 2 -0.328364012798E+03 -0.21000E-01 -0.14808E-01 4874 0.891E-01 0.106E+00 RMM: 3 -0.328355755338E+03 0.82575E-02 -0.16443E-02 5771 0.259E-01 0.183E-01 RMM: 4 -0.328355406775E+03 0.34856E-03 -0.97045E-04 4867 0.675E-02 0.103E-01 RMM: 5 -0.328355336131E+03 0.70644E-04 -0.13512E-04 4045 0.300E-02 0.778E-02 RMM: 6 -0.328355305135E+03 0.30996E-04 -0.30923E-05 2663 0.167E-02 0.489E-02 RMM: 7 -0.328355305652E+03 -0.51714E-06 -0.24318E-05 2572 0.149E-02 8253 T= 6858. E= 0.67568316E+03 F= 0.62791368E+03 E0= 0.65644889E+03 EK= 0.55850E+02 SP= -.81E+01 SK= 0.43E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328204745345E+03 0.15056E+00 -0.14004E-01 8200 0.247E+01 0.174E-01 RMM: 2 -0.328220394280E+03 -0.15649E-01 -0.13027E-01 5010 0.815E-01 0.759E-01 RMM: 3 -0.328215682643E+03 0.47116E-02 -0.12697E-02 6089 0.223E-01 0.157E-01 RMM: 4 -0.328215405553E+03 0.27709E-03 -0.64108E-04 4719 0.577E-02 0.987E-02 RMM: 5 -0.328215348041E+03 0.57511E-04 -0.93554E-05 3656 0.273E-02 0.676E-02 RMM: 6 -0.328215323613E+03 0.24428E-04 -0.25359E-05 2562 0.154E-02 0.399E-02 RMM: 7 -0.328215325220E+03 -0.16071E-05 -0.22769E-05 2535 0.145E-02 8254 T= 6835. E= 0.67568544E+03 F= 0.62805366E+03 E0= 0.65660875E+03 EK= 0.55657E+02 SP= -.80E+01 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327970265824E+03 0.24506E+00 -0.14474E-01 8016 0.246E+01 0.160E-01 RMM: 2 -0.327985971645E+03 -0.15706E-01 -0.14757E-01 4938 0.872E-01 0.569E-01 RMM: 3 -0.327982928720E+03 0.30429E-02 -0.14791E-02 6234 0.226E-01 0.128E-01 RMM: 4 -0.327982689255E+03 0.23946E-03 -0.64166E-04 4691 0.615E-02 0.139E-01 RMM: 5 -0.327982555726E+03 0.13353E-03 -0.10532E-04 3651 0.300E-02 0.627E-02 RMM: 6 -0.327982536433E+03 0.19293E-04 -0.26977E-05 2565 0.155E-02 8255 T= 6798. E= 0.67568920E+03 F= 0.62828645E+03 E0= 0.65686516E+03 EK= 0.55359E+02 SP= -.80E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327700816781E+03 0.28174E+00 -0.13790E-01 8032 0.245E+01 0.204E-01 RMM: 2 -0.327719248065E+03 -0.18431E-01 -0.12946E-01 5001 0.820E-01 0.100E+00 RMM: 3 -0.327711673940E+03 0.75741E-02 -0.13316E-02 5867 0.233E-01 0.185E-01 RMM: 4 -0.327711314276E+03 0.35966E-03 -0.76379E-04 4820 0.600E-02 0.903E-02 RMM: 5 -0.327711263804E+03 0.50473E-04 -0.97584E-05 3840 0.266E-02 0.700E-02 RMM: 6 -0.327711243080E+03 0.20723E-04 -0.25476E-05 2572 0.152E-02 0.555E-02 RMM: 7 -0.327711253726E+03 -0.10646E-04 -0.43769E-05 2946 0.184E-02 8256 T= 6755. E= 0.67569322E+03 F= 0.62855774E+03 E0= 0.65716553E+03 EK= 0.55012E+02 SP= -.79E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327452008901E+03 0.25923E+00 -0.12951E-01 7952 0.245E+01 0.227E-01 RMM: 2 -0.327467813590E+03 -0.15805E-01 -0.11028E-01 5027 0.784E-01 0.981E-01 RMM: 3 -0.327460993695E+03 0.68199E-02 -0.11674E-02 5775 0.226E-01 0.227E-01 RMM: 4 -0.327460619756E+03 0.37394E-03 -0.96223E-04 4709 0.713E-02 0.124E-01 RMM: 5 -0.327460568625E+03 0.51131E-04 -0.14823E-04 3815 0.307E-02 0.102E-01 RMM: 6 -0.327460501990E+03 0.66635E-04 -0.40804E-05 3068 0.199E-02 0.314E-02 RMM: 7 -0.327460502745E+03 -0.75411E-06 -0.15317E-05 2493 0.124E-02 8257 T= 6714. E= 0.67569725E+03 F= 0.62880849E+03 E0= 0.65744899E+03 EK= 0.54675E+02 SP= -.78E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327275450222E+03 0.18505E+00 -0.13056E-01 7792 0.244E+01 0.182E-01 RMM: 2 -0.327291479998E+03 -0.16030E-01 -0.12097E-01 5074 0.802E-01 0.874E-01 RMM: 3 -0.327285757927E+03 0.57221E-02 -0.12182E-02 5843 0.213E-01 0.174E-01 RMM: 4 -0.327285434063E+03 0.32386E-03 -0.66330E-04 4780 0.583E-02 0.990E-02 RMM: 5 -0.327285366027E+03 0.68036E-04 -0.96432E-05 3708 0.260E-02 0.725E-02 RMM: 6 -0.327285336740E+03 0.29287E-04 -0.26782E-05 2619 0.160E-02 0.468E-02 RMM: 7 -0.327285332256E+03 0.44841E-05 -0.34225E-05 2644 0.162E-02 8258 T= 6681. E= 0.67570029E+03 F= 0.62898366E+03 E0= 0.65766042E+03 EK= 0.54405E+02 SP= -.77E+01 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327218653210E+03 0.66684E-01 -0.12171E-01 7816 0.244E+01 0.193E-01 RMM: 2 -0.327232150742E+03 -0.13498E-01 -0.10205E-01 4879 0.776E-01 0.846E-01 RMM: 3 -0.327227352422E+03 0.47983E-02 -0.11958E-02 5813 0.218E-01 0.166E-01 RMM: 4 -0.327227066107E+03 0.28632E-03 -0.68051E-04 4792 0.584E-02 0.101E-01 RMM: 5 -0.327227015363E+03 0.50744E-04 -0.98030E-05 3657 0.271E-02 0.741E-02 RMM: 6 -0.327226983932E+03 0.31431E-04 -0.27123E-05 2633 0.162E-02 0.349E-02 RMM: 7 -0.327226983946E+03 -0.13308E-07 -0.14223E-05 2486 0.120E-02 8259 T= 6661. E= 0.67570212E+03 F= 0.62904201E+03 E0= 0.65775639E+03 EK= 0.54244E+02 SP= -.76E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327300500499E+03 -0.73517E-01 -0.12063E-01 7768 0.244E+01 0.156E-01 RMM: 2 -0.327313031255E+03 -0.12531E-01 -0.10504E-01 4846 0.774E-01 0.685E-01 RMM: 3 -0.327309671083E+03 0.33602E-02 -0.11723E-02 5959 0.204E-01 0.139E-01 RMM: 4 -0.327309420891E+03 0.25019E-03 -0.54677E-04 4643 0.572E-02 0.108E-01 RMM: 5 -0.327309342465E+03 0.78426E-04 -0.85826E-05 3508 0.273E-02 0.652E-02 RMM: 6 -0.327309321093E+03 0.21372E-04 -0.24679E-05 2553 0.151E-02 0.421E-02 RMM: 7 -0.327309314994E+03 0.60994E-05 -0.21958E-05 2522 0.140E-02 8260 T= 6658. E= 0.67570270E+03 F= 0.62895967E+03 E0= 0.65771209E+03 EK= 0.54216E+02 SP= -.75E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327530833554E+03 -0.22151E+00 -0.11894E-01 7608 0.244E+01 0.168E-01 RMM: 2 -0.327541108243E+03 -0.10275E-01 -0.84885E-02 4927 0.716E-01 0.686E-01 RMM: 3 -0.327537985820E+03 0.31224E-02 -0.96304E-03 5830 0.194E-01 0.127E-01 RMM: 4 -0.327537831352E+03 0.15447E-03 -0.52009E-04 4686 0.517E-02 0.114E-01 RMM: 5 -0.327537751193E+03 0.80159E-04 -0.79249E-05 3540 0.253E-02 0.670E-02 RMM: 6 -0.327537727926E+03 0.23267E-04 -0.23745E-05 2555 0.150E-02 0.355E-02 RMM: 7 -0.327537725588E+03 0.23385E-05 -0.16490E-05 2497 0.124E-02 8261 T= 6671. E= 0.67570209E+03 F= 0.62873126E+03 E0= 0.65752056E+03 EK= 0.54326E+02 SP= -.74E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327894253853E+03 -0.35653E+00 -0.12062E-01 7688 0.245E+01 0.169E-01 RMM: 2 -0.327906058288E+03 -0.11804E-01 -0.90184E-02 4944 0.728E-01 0.786E-01 RMM: 3 -0.327901920154E+03 0.41381E-02 -0.10008E-02 5852 0.190E-01 0.137E-01 RMM: 4 -0.327901719762E+03 0.20039E-03 -0.55406E-04 4646 0.565E-02 0.115E-01 RMM: 5 -0.327901639296E+03 0.80466E-04 -0.89527E-05 3590 0.267E-02 0.681E-02 RMM: 6 -0.327901613726E+03 0.25571E-04 -0.24130E-05 2560 0.151E-02 0.374E-02 RMM: 7 -0.327901610496E+03 0.32297E-05 -0.18008E-05 2496 0.129E-02 8262 T= 6700. E= 0.67570079E+03 F= 0.62836738E+03 E0= 0.65719099E+03 EK= 0.54565E+02 SP= -.73E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328371644980E+03 -0.47003E+00 -0.12603E-01 7640 0.245E+01 0.157E-01 RMM: 2 -0.328381683143E+03 -0.10038E-01 -0.86970E-02 4863 0.735E-01 0.626E-01 RMM: 3 -0.328379128296E+03 0.25548E-02 -0.10187E-02 5891 0.193E-01 0.105E-01 RMM: 4 -0.328378981880E+03 0.14642E-03 -0.49157E-04 4628 0.524E-02 0.122E-01 RMM: 5 -0.328378887447E+03 0.94433E-04 -0.82506E-05 3543 0.277E-02 0.570E-02 RMM: 6 -0.328378871422E+03 0.16024E-04 -0.22132E-05 2531 0.140E-02 8263 T= 6743. E= 0.67569895E+03 F= 0.62789012E+03 E0= 0.65674444E+03 EK= 0.54908E+02 SP= -.71E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328933072047E+03 -0.55418E+00 -0.12320E-01 7512 0.246E+01 0.173E-01 RMM: 2 -0.328943122621E+03 -0.10051E-01 -0.69034E-02 5070 0.652E-01 0.820E-01 RMM: 3 -0.328938800638E+03 0.43220E-02 -0.73937E-03 5550 0.181E-01 0.166E-01 RMM: 4 -0.328938603114E+03 0.19752E-03 -0.53140E-04 4631 0.511E-02 0.902E-02 RMM: 5 -0.328938545958E+03 0.57156E-04 -0.78632E-05 3600 0.243E-02 0.629E-02 RMM: 6 -0.328938524990E+03 0.20968E-04 -0.21130E-05 2541 0.141E-02 0.423E-02 RMM: 7 -0.328938522258E+03 0.27322E-05 -0.22161E-05 2508 0.143E-02 8264 T= 6793. E= 0.67569659E+03 F= 0.62733047E+03 E0= 0.65620990E+03 EK= 0.55321E+02 SP= -.70E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329539756482E+03 -0.60123E+00 -0.11742E-01 7416 0.247E+01 0.203E-01 RMM: 2 -0.329549579671E+03 -0.98232E-02 -0.63494E-02 5161 0.651E-01 0.882E-01 RMM: 3 -0.329544632864E+03 0.49468E-02 -0.68349E-03 5493 0.180E-01 0.149E-01 RMM: 4 -0.329544529765E+03 0.10310E-03 -0.67475E-04 4611 0.593E-02 0.133E-01 RMM: 5 -0.329544422468E+03 0.10730E-03 -0.11811E-04 3777 0.293E-02 0.648E-02 RMM: 6 -0.329544396752E+03 0.25716E-04 -0.21563E-05 2560 0.147E-02 0.302E-02 RMM: 7 -0.329544395769E+03 0.98322E-06 -0.14088E-05 2475 0.117E-02 8265 T= 6848. E= 0.67569390E+03 F= 0.62672459E+03 E0= 0.65562282E+03 EK= 0.55768E+02 SP= -.68E+01 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330152233816E+03 -0.60784E+00 -0.11623E-01 7496 0.248E+01 0.168E-01 RMM: 2 -0.330161281311E+03 -0.90475E-02 -0.68659E-02 5122 0.658E-01 0.738E-01 RMM: 3 -0.330157880975E+03 0.34003E-02 -0.72268E-03 5759 0.166E-01 0.127E-01 RMM: 4 -0.330157746789E+03 0.13419E-03 -0.45275E-04 4522 0.509E-02 0.122E-01 RMM: 5 -0.330157648183E+03 0.98606E-04 -0.83293E-05 3582 0.258E-02 0.621E-02 RMM: 6 -0.330157627073E+03 0.21110E-04 -0.22069E-05 2544 0.144E-02 0.382E-02 RMM: 7 -0.330157622184E+03 0.48892E-05 -0.18274E-05 2489 0.127E-02 8266 T= 6902. E= 0.67569115E+03 F= 0.62611137E+03 E0= 0.65502068E+03 EK= 0.56207E+02 SP= -.67E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330732887818E+03 -0.57526E+00 -0.11975E-01 7600 0.248E+01 0.165E-01 RMM: 2 -0.330741522452E+03 -0.86346E-02 -0.66987E-02 5058 0.653E-01 0.708E-01 RMM: 3 -0.330738412495E+03 0.31100E-02 -0.73310E-03 5751 0.170E-01 0.122E-01 RMM: 4 -0.330738284820E+03 0.12767E-03 -0.44301E-04 4503 0.490E-02 0.112E-01 RMM: 5 -0.330738208249E+03 0.76572E-04 -0.76280E-05 3556 0.254E-02 0.580E-02 RMM: 6 -0.330738190631E+03 0.17617E-04 -0.20110E-05 2534 0.135E-02 8267 T= 6950. E= 0.67568841E+03 F= 0.62553080E+03 E0= 0.65444356E+03 EK= 0.56596E+02 SP= -.65E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331240111806E+03 -0.50190E+00 -0.12410E-01 7480 0.249E+01 0.191E-01 RMM: 2 -0.331254168163E+03 -0.14056E-01 -0.84107E-02 5018 0.714E-01 0.103E+00 RMM: 3 -0.331247186734E+03 0.69814E-02 -0.94720E-03 5526 0.201E-01 0.180E-01 RMM: 4 -0.331246940732E+03 0.24600E-03 -0.69394E-04 4711 0.572E-02 0.914E-02 RMM: 5 -0.331246878392E+03 0.62340E-04 -0.98585E-05 3752 0.262E-02 0.637E-02 RMM: 6 -0.331246855135E+03 0.23257E-04 -0.23690E-05 2566 0.147E-02 0.437E-02 RMM: 7 -0.331246852418E+03 0.27174E-05 -0.22132E-05 2502 0.145E-02 8268 T= 6986. E= 0.67568580E+03 F= 0.62502214E+03 E0= 0.65393057E+03 EK= 0.56893E+02 SP= -.63E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331641044272E+03 -0.39419E+00 -0.12242E-01 7544 0.250E+01 0.195E-01 RMM: 2 -0.331652220605E+03 -0.11176E-01 -0.73899E-02 4934 0.690E-01 0.895E-01 RMM: 3 -0.331646995667E+03 0.52249E-02 -0.85922E-03 5533 0.197E-01 0.179E-01 RMM: 4 -0.331646795378E+03 0.20029E-03 -0.72314E-04 4644 0.611E-02 0.109E-01 RMM: 5 -0.331646737832E+03 0.57546E-04 -0.11074E-04 3719 0.272E-02 0.802E-02 RMM: 6 -0.331646699520E+03 0.38312E-04 -0.25920E-05 2611 0.161E-02 0.260E-02 RMM: 7 -0.331646699460E+03 0.60296E-07 -0.12205E-05 2476 0.111E-02 8269 T= 7007. E= 0.67568337E+03 F= 0.62462229E+03 E0= 0.65352038E+03 EK= 0.57061E+02 SP= -.61E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331895147311E+03 -0.24845E+00 -0.12745E-01 7600 0.250E+01 0.167E-01 RMM: 2 -0.331908860079E+03 -0.13713E-01 -0.10495E-01 4796 0.795E-01 0.826E-01 RMM: 3 -0.331904259576E+03 0.46005E-02 -0.12215E-02 5835 0.208E-01 0.136E-01 RMM: 4 -0.331904016518E+03 0.24306E-03 -0.61312E-04 4710 0.590E-02 0.105E-01 RMM: 5 -0.331903942901E+03 0.73618E-04 -0.95898E-05 3654 0.280E-02 0.605E-02 RMM: 6 -0.331903922955E+03 0.19946E-04 -0.25545E-05 2557 0.150E-02 8270 T= 7008. E= 0.67568200E+03 F= 0.62436507E+03 E0= 0.65324773E+03 EK= 0.57065E+02 SP= -.59E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331987797808E+03 -0.83855E-01 -0.12011E-01 7472 0.250E+01 0.186E-01 RMM: 2 -0.332003438896E+03 -0.15641E-01 -0.92521E-02 4802 0.746E-01 0.106E+00 RMM: 3 -0.331995646881E+03 0.77920E-02 -0.11062E-02 5495 0.221E-01 0.173E-01 RMM: 4 -0.331995393387E+03 0.25349E-03 -0.73532E-04 4871 0.566E-02 0.714E-02 RMM: 5 -0.331995361747E+03 0.31641E-04 -0.90865E-05 3718 0.271E-02 0.631E-02 RMM: 6 -0.331995341575E+03 0.20172E-04 -0.23735E-05 2554 0.144E-02 0.492E-02 RMM: 7 -0.331995349566E+03 -0.79913E-05 -0.33014E-05 2677 0.172E-02 8271 T= 6985. E= 0.67568133E+03 F= 0.62427364E+03 E0= 0.65313824E+03 EK= 0.56885E+02 SP= -.56E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331906359192E+03 0.88982E-01 -0.11456E-01 7472 0.249E+01 0.237E-01 RMM: 2 -0.331920877591E+03 -0.14518E-01 -0.81512E-02 4808 0.722E-01 0.110E+00 RMM: 3 -0.331912744858E+03 0.81327E-02 -0.10603E-02 5425 0.230E-01 0.230E-01 RMM: 4 -0.331912417700E+03 0.32716E-03 -0.10230E-03 4692 0.703E-02 0.114E-01 RMM: 5 -0.331912404689E+03 0.13011E-04 -0.16298E-04 3862 0.321E-02 8272 T= 6940. E= 0.67568304E+03 F= 0.62435658E+03 E0= 0.65320332E+03 EK= 0.56513E+02 SP= -.53E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331653937780E+03 0.25848E+00 -0.11705E-01 7560 0.248E+01 0.161E-01 RMM: 2 -0.331667323079E+03 -0.13385E-01 -0.90716E-02 4912 0.719E-01 0.889E-01 RMM: 3 -0.331661797930E+03 0.55251E-02 -0.10231E-02 5619 0.203E-01 0.142E-01 RMM: 4 -0.331661605831E+03 0.19210E-03 -0.57536E-04 4738 0.521E-02 0.880E-02 RMM: 5 -0.331661547939E+03 0.57892E-04 -0.78058E-05 3605 0.248E-02 0.583E-02 RMM: 6 -0.331661534148E+03 0.13791E-04 -0.25772E-05 2540 0.153E-02 8273 T= 6872. E= 0.67568669E+03 F= 0.62460746E+03 E0= 0.65343610E+03 EK= 0.55961E+02 SP= -.51E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331264060689E+03 0.39749E+00 -0.11439E-01 7240 0.247E+01 0.249E-01 RMM: 2 -0.331286502742E+03 -0.22442E-01 -0.80815E-02 4764 0.719E-01 0.152E+00 RMM: 3 -0.331270521439E+03 0.15981E-01 -0.11960E-02 5383 0.259E-01 0.224E-01 RMM: 4 -0.331270191355E+03 0.33008E-03 -0.11313E-03 4793 0.667E-02 0.790E-02 RMM: 5 -0.331270169263E+03 0.22092E-04 -0.12470E-04 3815 0.306E-02 0.782E-02 RMM: 6 -0.331270131890E+03 0.37374E-04 -0.28764E-05 2700 0.159E-02 0.397E-02 RMM: 7 -0.331270136862E+03 -0.49723E-05 -0.19103E-05 2509 0.144E-02 8274 T= 6785. E= 0.67569035E+03 F= 0.62499885E+03 E0= 0.65381237E+03 EK= 0.55256E+02 SP= -.48E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330778824653E+03 0.49131E+00 -0.11459E-01 7584 0.245E+01 0.314E-01 RMM: 2 -0.330805791464E+03 -0.26967E-01 -0.93962E-02 4827 0.777E-01 0.170E+00 RMM: 3 -0.330785977158E+03 0.19814E-01 -0.14316E-02 5371 0.284E-01 0.295E-01 RMM: 4 -0.330785393141E+03 0.58402E-03 -0.15963E-03 4894 0.841E-02 0.107E-01 RMM: 5 -0.330785432098E+03 -0.38957E-04 -0.21967E-04 3882 0.352E-02 0.139E-01 RMM: 6 -0.330785301975E+03 0.13012E-03 -0.70300E-05 3452 0.249E-02 0.317E-02 RMM: 7 -0.330785297511E+03 0.44643E-05 -0.14228E-05 2506 0.114E-02 8275 T= 6687. E= 0.67569511E+03 F= 0.62548369E+03 E0= 0.65428510E+03 EK= 0.54452E+02 SP= -.44E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330258845874E+03 0.52646E+00 -0.11726E-01 7472 0.243E+01 0.185E-01 RMM: 2 -0.330273875265E+03 -0.15029E-01 -0.96251E-02 4772 0.757E-01 0.982E-01 RMM: 3 -0.330267222772E+03 0.66525E-02 -0.11721E-02 5526 0.224E-01 0.181E-01 RMM: 4 -0.330266969784E+03 0.25299E-03 -0.78240E-04 4727 0.610E-02 0.918E-02 RMM: 5 -0.330266925465E+03 0.44319E-04 -0.11675E-04 3795 0.290E-02 0.723E-02 RMM: 6 -0.330266891823E+03 0.33642E-04 -0.29043E-05 2669 0.161E-02 0.354E-02 RMM: 7 -0.330266893376E+03 -0.15535E-05 -0.22276E-05 2514 0.148E-02 8276 T= 6583. E= 0.67570049E+03 F= 0.62600210E+03 E0= 0.65479459E+03 EK= 0.53612E+02 SP= -.41E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329774833664E+03 0.49206E+00 -0.11868E-01 7640 0.241E+01 0.192E-01 RMM: 2 -0.329789489129E+03 -0.14655E-01 -0.10119E-01 4710 0.791E-01 0.934E-01 RMM: 3 -0.329783636164E+03 0.58530E-02 -0.12983E-02 5746 0.223E-01 0.153E-01 RMM: 4 -0.329783392275E+03 0.24389E-03 -0.73615E-04 4747 0.618E-02 0.101E-01 RMM: 5 -0.329783347853E+03 0.44422E-04 -0.10792E-04 3767 0.274E-02 0.776E-02 RMM: 6 -0.329783311945E+03 0.35908E-04 -0.28104E-05 2613 0.164E-02 0.296E-02 RMM: 7 -0.329783312077E+03 -0.13241E-06 -0.11901E-05 2484 0.112E-02 8277 T= 6485. E= 0.67570580E+03 F= 0.62648568E+03 E0= 0.65527266E+03 EK= 0.52809E+02 SP= -.38E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329391160781E+03 0.39215E+00 -0.12363E-01 7416 0.240E+01 0.142E-01 RMM: 2 -0.329405622254E+03 -0.14461E-01 -0.13262E-01 4708 0.875E-01 0.583E-01 RMM: 3 -0.329403109711E+03 0.25125E-02 -0.15267E-02 6031 0.216E-01 0.106E-01 RMM: 4 -0.329402879806E+03 0.22990E-03 -0.70364E-04 4692 0.683E-02 0.114E-01 RMM: 5 -0.329402795128E+03 0.84678E-04 -0.94004E-05 3593 0.290E-02 0.554E-02 RMM: 6 -0.329402779826E+03 0.15302E-04 -0.23432E-05 2523 0.143E-02 8278 T= 6399. E= 0.67571082E+03 F= 0.62686621E+03 E0= 0.65565001E+03 EK= 0.52114E+02 SP= -.35E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329174763087E+03 0.22803E+00 -0.11573E-01 7544 0.238E+01 0.166E-01 RMM: 2 -0.329188615419E+03 -0.13852E-01 -0.10603E-01 4755 0.796E-01 0.809E-01 RMM: 3 -0.329184205685E+03 0.44097E-02 -0.13173E-02 5823 0.218E-01 0.128E-01 RMM: 4 -0.329183955107E+03 0.25058E-03 -0.61971E-04 5011 0.543E-02 0.845E-02 RMM: 5 -0.329183905625E+03 0.49483E-04 -0.80710E-05 3607 0.262E-02 0.575E-02 RMM: 6 -0.329183890354E+03 0.15271E-04 -0.22351E-05 2524 0.143E-02 8279 T= 6335. E= 0.67571491E+03 F= 0.62708510E+03 E0= 0.65586754E+03 EK= 0.51587E+02 SP= -.32E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329162084685E+03 0.21821E-01 -0.11129E-01 7392 0.238E+01 0.268E-01 RMM: 2 -0.329185994525E+03 -0.23910E-01 -0.99658E-02 4806 0.785E-01 0.154E+00 RMM: 3 -0.329170187943E+03 0.15807E-01 -0.13636E-02 5404 0.266E-01 0.243E-01 RMM: 4 -0.329169759290E+03 0.42865E-03 -0.12995E-03 4712 0.731E-02 0.826E-02 RMM: 5 -0.329169753062E+03 0.62277E-05 -0.16019E-04 3944 0.308E-02 8280 T= 6296. E= 0.67571828E+03 F= 0.62709924E+03 E0= 0.65588128E+03 EK= 0.51272E+02 SP= -.28E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329374892297E+03 -0.20513E+00 -0.11236E-01 7384 0.237E+01 0.177E-01 RMM: 2 -0.329390377537E+03 -0.15485E-01 -0.93087E-02 4923 0.725E-01 0.103E+00 RMM: 3 -0.329383112663E+03 0.72649E-02 -0.10988E-02 5518 0.214E-01 0.167E-01 RMM: 4 -0.329382900047E+03 0.21262E-03 -0.76764E-04 4672 0.577E-02 0.929E-02 RMM: 5 -0.329382841045E+03 0.59002E-04 -0.10100E-04 3891 0.252E-02 0.625E-02 RMM: 6 -0.329382822365E+03 0.18680E-04 -0.22910E-05 2538 0.144E-02 8281 T= 6286. E= 0.67572018E+03 F= 0.62688617E+03 E0= 0.65566759E+03 EK= 0.51192E+02 SP= -.25E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329816113723E+03 -0.43327E+00 -0.11541E-01 7464 0.238E+01 0.208E-01 RMM: 2 -0.329832392795E+03 -0.16279E-01 -0.99550E-02 4792 0.773E-01 0.108E+00 RMM: 3 -0.329824500902E+03 0.78919E-02 -0.11964E-02 5500 0.228E-01 0.189E-01 RMM: 4 -0.329824206334E+03 0.29457E-03 -0.88845E-04 4833 0.619E-02 0.798E-02 RMM: 5 -0.329824174792E+03 0.31543E-04 -0.12012E-04 3940 0.271E-02 0.736E-02 RMM: 6 -0.329824142752E+03 0.32040E-04 -0.26086E-05 2596 0.155E-02 0.355E-02 RMM: 7 -0.329824144534E+03 -0.17825E-05 -0.14872E-05 2491 0.122E-02 8282 T= 6305. E= 0.67571921E+03 F= 0.62644484E+03 E0= 0.65522541E+03 EK= 0.51346E+02 SP= -.22E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330464890947E+03 -0.64075E+00 -0.11905E-01 7736 0.239E+01 0.238E-01 RMM: 2 -0.330481493987E+03 -0.16603E-01 -0.91909E-02 4838 0.746E-01 0.115E+00 RMM: 3 -0.330472586470E+03 0.89075E-02 -0.11544E-02 5447 0.231E-01 0.246E-01 RMM: 4 -0.330472189106E+03 0.39736E-03 -0.11384E-03 4691 0.732E-02 0.114E-01 RMM: 5 -0.330472148872E+03 0.40234E-04 -0.18370E-04 3871 0.351E-02 0.921E-02 RMM: 6 -0.330472091460E+03 0.57412E-04 -0.46958E-05 3164 0.203E-02 0.288E-02 RMM: 7 -0.330472090432E+03 0.10281E-05 -0.14639E-05 2495 0.121E-02 8283 T= 6350. E= 0.67571687E+03 F= 0.62579690E+03 E0= 0.65457606E+03 EK= 0.51710E+02 SP= -.20E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331278507897E+03 -0.80642E+00 -0.12772E-01 7600 0.240E+01 0.204E-01 RMM: 2 -0.331294509630E+03 -0.16002E-01 -0.10214E-01 4774 0.787E-01 0.104E+00 RMM: 3 -0.331287229934E+03 0.72797E-02 -0.12673E-02 5576 0.231E-01 0.176E-01 RMM: 4 -0.331286941598E+03 0.28834E-03 -0.86869E-04 4992 0.610E-02 0.858E-02 RMM: 5 -0.331286898003E+03 0.43595E-04 -0.12004E-04 3832 0.288E-02 0.744E-02 RMM: 6 -0.331286861108E+03 0.36895E-04 -0.31181E-05 2705 0.169E-02 0.334E-02 RMM: 7 -0.331286859791E+03 0.13175E-05 -0.15536E-05 2498 0.120E-02 8284 T= 6415. E= 0.67571359E+03 F= 0.62498213E+03 E0= 0.65375912E+03 EK= 0.52243E+02 SP= -.17E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332207322074E+03 -0.92046E+00 -0.12339E-01 7656 0.242E+01 0.159E-01 RMM: 2 -0.332219087459E+03 -0.11765E-01 -0.92194E-02 4769 0.739E-01 0.744E-01 RMM: 3 -0.332215419258E+03 0.36682E-02 -0.11237E-02 5862 0.200E-01 0.161E-01 RMM: 4 -0.332215115872E+03 0.30339E-03 -0.56890E-04 4737 0.546E-02 0.780E-02 RMM: 5 -0.332215076821E+03 0.39051E-04 -0.85926E-05 3587 0.269E-02 0.536E-02 RMM: 6 -0.332215060957E+03 0.15863E-04 -0.21588E-05 2541 0.136E-02 8285 T= 6495. E= 0.67570944E+03 F= 0.62405393E+03 E0= 0.65282848E+03 EK= 0.52889E+02 SP= -.14E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333181761562E+03 -0.96668E+00 -0.13452E-01 7632 0.244E+01 0.177E-01 RMM: 2 -0.333197188050E+03 -0.15426E-01 -0.11493E-01 4794 0.819E-01 0.873E-01 RMM: 3 -0.333191891396E+03 0.52967E-02 -0.13667E-02 5748 0.221E-01 0.178E-01 RMM: 4 -0.333191525372E+03 0.36602E-03 -0.76795E-04 4877 0.620E-02 0.839E-02 RMM: 5 -0.333191480570E+03 0.44802E-04 -0.11030E-04 3880 0.272E-02 0.655E-02 RMM: 6 -0.333191455166E+03 0.25404E-04 -0.24662E-05 2567 0.148E-02 0.423E-02 RMM: 7 -0.333191452410E+03 0.27558E-05 -0.17003E-05 2490 0.128E-02 8286 T= 6579. E= 0.67570454E+03 F= 0.62307754E+03 E0= 0.65184967E+03 EK= 0.53579E+02 SP= -.11E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334136856410E+03 -0.94540E+00 -0.13428E-01 7768 0.246E+01 0.186E-01 RMM: 2 -0.334149562543E+03 -0.12706E-01 -0.89274E-02 4759 0.750E-01 0.869E-01 RMM: 3 -0.334144530774E+03 0.50318E-02 -0.11025E-02 5690 0.209E-01 0.174E-01 RMM: 4 -0.334144268350E+03 0.26242E-03 -0.76164E-04 4659 0.631E-02 0.100E-01 RMM: 5 -0.334144218410E+03 0.49940E-04 -0.12250E-04 3749 0.295E-02 0.710E-02 RMM: 6 -0.334144187394E+03 0.31016E-04 -0.27647E-05 2651 0.159E-02 0.287E-02 RMM: 7 -0.334144188420E+03 -0.10261E-05 -0.14238E-05 2492 0.121E-02 8287 T= 6660. E= 0.67569945E+03 F= 0.62212480E+03 E0= 0.65089502E+03 EK= 0.54239E+02 SP= -.83E+00 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334990199616E+03 -0.84601E+00 -0.14130E-01 7704 0.247E+01 0.191E-01 RMM: 2 -0.335007071622E+03 -0.16872E-01 -0.11917E-01 4808 0.845E-01 0.976E-01 RMM: 3 -0.335000561240E+03 0.65104E-02 -0.14002E-02 5738 0.223E-01 0.164E-01 RMM: 4 -0.335000237333E+03 0.32391E-03 -0.80250E-04 4822 0.642E-02 0.103E-01 RMM: 5 -0.335000174174E+03 0.63159E-04 -0.12395E-04 3855 0.301E-02 0.675E-02 RMM: 6 -0.335000145257E+03 0.28917E-04 -0.30790E-05 2744 0.167E-02 0.343E-02 RMM: 7 -0.335000144653E+03 0.60401E-06 -0.17072E-05 2498 0.126E-02 8288 T= 6728. E= 0.67569487E+03 F= 0.62126884E+03 E0= 0.65003620E+03 EK= 0.54793E+02 SP= -.54E+00 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335683636458E+03 -0.68349E+00 -0.13133E-01 7608 0.249E+01 0.155E-01 RMM: 2 -0.335694077447E+03 -0.10441E-01 -0.84306E-02 4853 0.712E-01 0.689E-01 RMM: 3 -0.335690929320E+03 0.31481E-02 -0.99600E-03 5803 0.187E-01 0.119E-01 RMM: 4 -0.335690748121E+03 0.18120E-03 -0.50599E-04 4606 0.520E-02 0.982E-02 RMM: 5 -0.335690685114E+03 0.63007E-04 -0.78100E-05 3530 0.266E-02 0.528E-02 RMM: 6 -0.335690670385E+03 0.14730E-04 -0.21458E-05 2530 0.135E-02 8289 T= 6775. E= 0.67569102E+03 F= 0.62057832E+03 E0= 0.64934127E+03 EK= 0.55170E+02 SP= -.24E+00 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336147791565E+03 -0.45711E+00 -0.13825E-01 7552 0.249E+01 0.165E-01 RMM: 2 -0.336162182141E+03 -0.14391E-01 -0.10764E-01 4818 0.787E-01 0.835E-01 RMM: 3 -0.336157339710E+03 0.48424E-02 -0.12550E-02 5711 0.208E-01 0.164E-01 RMM: 4 -0.336157022854E+03 0.31686E-03 -0.68347E-04 4711 0.594E-02 0.856E-02 RMM: 5 -0.336156973350E+03 0.49504E-04 -0.97215E-05 3773 0.270E-02 0.578E-02 RMM: 6 -0.336156954134E+03 0.19217E-04 -0.22400E-05 2530 0.141E-02 8290 T= 6792. E= 0.67568839E+03 F= 0.62011204E+03 E0= 0.64886706E+03 EK= 0.55312E+02 SP= 0.66E-01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336347166977E+03 -0.19019E+00 -0.13419E-01 7448 0.250E+01 0.282E-01 RMM: 2 -0.336373603079E+03 -0.26436E-01 -0.94902E-02 4892 0.774E-01 0.165E+00 RMM: 3 -0.336354504556E+03 0.19099E-01 -0.13157E-02 5346 0.268E-01 0.233E-01 RMM: 4 -0.336354112016E+03 0.39254E-03 -0.13443E-03 4862 0.714E-02 0.839E-02 RMM: 5 -0.336354093783E+03 0.18233E-04 -0.15011E-04 3933 0.310E-02 8291 T= 6775. E= 0.67568779E+03 F= 0.61991490E+03 E0= 0.64865703E+03 EK= 0.55175E+02 SP= 0.39E+00 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336246834528E+03 0.10728E+00 -0.13703E-01 7576 0.249E+01 0.139E-01 RMM: 2 -0.336259362463E+03 -0.12528E-01 -0.93541E-02 4877 0.720E-01 0.736E-01 RMM: 3 -0.336255225614E+03 0.41368E-02 -0.10617E-02 5594 0.199E-01 0.156E-01 RMM: 4 -0.336255008006E+03 0.21761E-03 -0.61508E-04 4540 0.541E-02 0.914E-02 RMM: 5 -0.336254958326E+03 0.49680E-04 -0.83995E-05 3590 0.269E-02 0.601E-02 RMM: 6 -0.336254941501E+03 0.16825E-04 -0.22958E-05 2528 0.142E-02 8292 T= 6721. E= 0.67568891E+03 F= 0.62001405E+03 E0= 0.64873775E+03 EK= 0.54735E+02 SP= 0.72E+00 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335845525252E+03 0.40943E+00 -0.13527E-01 7624 0.248E+01 0.193E-01 RMM: 2 -0.335859682708E+03 -0.14157E-01 -0.90304E-02 4792 0.737E-01 0.964E-01 RMM: 3 -0.335853197293E+03 0.64854E-02 -0.10687E-02 5498 0.212E-01 0.172E-01 RMM: 4 -0.335852948205E+03 0.24909E-03 -0.79234E-04 4736 0.612E-02 0.890E-02 RMM: 5 -0.335852919736E+03 0.28469E-04 -0.10894E-04 3820 0.269E-02 0.726E-02 RMM: 6 -0.335852888038E+03 0.31698E-04 -0.25968E-05 2588 0.157E-02 0.301E-02 RMM: 7 -0.335852891010E+03 -0.29718E-05 -0.13588E-05 2487 0.116E-02 8293 T= 6630. E= 0.67569067E+03 F= 0.62041610E+03 E0= 0.64911429E+03 EK= 0.53987E+02 SP= 0.11E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335153832981E+03 0.69906E+00 -0.12971E-01 7608 0.245E+01 0.224E-01 RMM: 2 -0.335169135909E+03 -0.15303E-01 -0.89264E-02 4754 0.749E-01 0.107E+00 RMM: 3 -0.335161325363E+03 0.78105E-02 -0.11335E-02 5417 0.230E-01 0.216E-01 RMM: 4 -0.335161030486E+03 0.29488E-03 -0.99605E-04 4710 0.679E-02 0.109E-01 RMM: 5 -0.335160991616E+03 0.38870E-04 -0.15730E-04 3865 0.337E-02 0.879E-02 RMM: 6 -0.335160938237E+03 0.53379E-04 -0.41554E-05 3057 0.193E-02 0.267E-02 RMM: 7 -0.335160938198E+03 0.38986E-07 -0.13115E-05 2485 0.116E-02 8294 T= 6502. E= 0.67569407E+03 F= 0.62110805E+03 E0= 0.64977408E+03 EK= 0.52952E+02 SP= 0.14E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334204882979E+03 0.95606E+00 -0.13022E-01 7664 0.242E+01 0.161E-01 RMM: 2 -0.334217339683E+03 -0.12457E-01 -0.87495E-02 4750 0.728E-01 0.839E-01 RMM: 3 -0.334212490716E+03 0.48490E-02 -0.10674E-02 5688 0.203E-01 0.130E-01 RMM: 4 -0.334212288858E+03 0.20186E-03 -0.56159E-04 4818 0.528E-02 0.752E-02 RMM: 5 -0.334212251360E+03 0.37498E-04 -0.73416E-05 3511 0.250E-02 0.545E-02 RMM: 6 -0.334212235854E+03 0.15506E-04 -0.22480E-05 2523 0.145E-02 8295 T= 6345. E= 0.67569907E+03 F= 0.62205675E+03 E0= 0.65068453E+03 EK= 0.51668E+02 SP= 0.17E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333050838695E+03 0.11614E+01 -0.12583E-01 7536 0.239E+01 0.167E-01 RMM: 2 -0.333065159860E+03 -0.14321E-01 -0.98256E-02 4703 0.772E-01 0.891E-01 RMM: 3 -0.333059554824E+03 0.56050E-02 -0.12129E-02 5653 0.217E-01 0.166E-01 RMM: 4 -0.333059267080E+03 0.28774E-03 -0.67949E-04 4863 0.568E-02 0.661E-02 RMM: 5 -0.333059241833E+03 0.25247E-04 -0.81509E-05 3568 0.256E-02 0.584E-02 RMM: 6 -0.333059227618E+03 0.14215E-04 -0.20306E-05 2518 0.135E-02 8296 T= 6164. E= 0.67570484E+03 F= 0.62320976E+03 E0= 0.65179428E+03 EK= 0.50196E+02 SP= 0.21E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331762886448E+03 0.12964E+01 -0.11964E-01 7536 0.235E+01 0.278E-01 RMM: 2 -0.331787949909E+03 -0.25063E-01 -0.94599E-02 4751 0.778E-01 0.158E+00 RMM: 3 -0.331770492533E+03 0.17457E-01 -0.13556E-02 5360 0.273E-01 0.262E-01 RMM: 4 -0.331769992578E+03 0.49996E-03 -0.13587E-03 4811 0.744E-02 0.704E-02 RMM: 5 -0.331769982136E+03 0.10442E-04 -0.15209E-04 4099 0.288E-02 8297 T= 5969. E= 0.67571255E+03 F= 0.62449901E+03 E0= 0.65303638E+03 EK= 0.48612E+02 SP= 0.24E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330417173213E+03 0.13528E+01 -0.11582E-01 7512 0.230E+01 0.174E-01 RMM: 2 -0.330430988856E+03 -0.13816E-01 -0.87041E-02 4891 0.699E-01 0.923E-01 RMM: 3 -0.330424815985E+03 0.61729E-02 -0.10120E-02 5468 0.212E-01 0.209E-01 RMM: 4 -0.330424494107E+03 0.32188E-03 -0.78368E-04 4692 0.598E-02 0.840E-02 RMM: 5 -0.330424460825E+03 0.33282E-04 -0.98236E-05 3746 0.271E-02 0.680E-02 RMM: 6 -0.330424436169E+03 0.24657E-04 -0.24035E-05 2554 0.146E-02 0.476E-02 RMM: 7 -0.330424445355E+03 -0.91859E-05 -0.26403E-05 2612 0.150E-02 8298 T= 5771. E= 0.67572009E+03 F= 0.62584454E+03 E0= 0.65433351E+03 EK= 0.46999E+02 SP= 0.27E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329099228054E+03 0.13252E+01 -0.10706E-01 7496 0.226E+01 0.214E-01 RMM: 2 -0.329112474458E+03 -0.13246E-01 -0.83620E-02 4769 0.713E-01 0.974E-01 RMM: 3 -0.329105989446E+03 0.64850E-02 -0.99871E-03 5581 0.208E-01 0.179E-01 RMM: 4 -0.329105806441E+03 0.18300E-03 -0.80809E-04 4657 0.647E-02 0.135E-01 RMM: 5 -0.329105726103E+03 0.80338E-04 -0.14617E-04 3816 0.328E-02 0.819E-02 RMM: 6 -0.329105683805E+03 0.42298E-04 -0.39691E-05 3065 0.193E-02 0.242E-02 RMM: 7 -0.329105692174E+03 -0.83694E-05 -0.14340E-05 2500 0.123E-02 8299 T= 5581. E= 0.67572674E+03 F= 0.62716330E+03 E0= 0.65560291E+03 EK= 0.45445E+02 SP= 0.30E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327888350705E+03 0.12173E+01 -0.97499E-02 7704 0.221E+01 0.168E-01 RMM: 2 -0.327899090814E+03 -0.10740E-01 -0.75859E-02 4994 0.679E-01 0.803E-01 RMM: 3 -0.327894716334E+03 0.43745E-02 -0.85798E-03 5725 0.185E-01 0.136E-01 RMM: 4 -0.327894529819E+03 0.18652E-03 -0.49145E-04 4651 0.503E-02 0.965E-02 RMM: 5 -0.327894454811E+03 0.75008E-04 -0.72678E-05 3503 0.252E-02 0.517E-02 RMM: 6 -0.327894443513E+03 0.11298E-04 -0.20728E-05 2532 0.130E-02 8300 T= 5407. E= 0.67573288E+03 F= 0.62837455E+03 E0= 0.65676760E+03 EK= 0.44036E+02 SP= 0.32E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326853978971E+03 0.10405E+01 -0.10044E-01 7584 0.217E+01 0.178E-01 RMM: 2 -0.326868106179E+03 -0.14127E-01 -0.90446E-02 4801 0.729E-01 0.940E-01 RMM: 3 -0.326861851880E+03 0.62543E-02 -0.10876E-02 5619 0.208E-01 0.178E-01 RMM: 4 -0.326861534475E+03 0.31740E-03 -0.68467E-04 4716 0.571E-02 0.736E-02 RMM: 5 -0.326861510287E+03 0.24189E-04 -0.91902E-05 3689 0.266E-02 0.656E-02 RMM: 6 -0.326861486191E+03 0.24096E-04 -0.24625E-05 2551 0.147E-02 0.464E-02 RMM: 7 -0.326861510011E+03 -0.23820E-04 -0.45898E-05 3110 0.194E-02 0.830E-02 RMM: 8 -0.326861466519E+03 0.43492E-04 -0.45909E-05 2899 0.181E-02 0.318E-02 RMM: 9 -0.326861463169E+03 0.33502E-05 -0.13778E-05 2475 0.108E-02 8301 T= 5261. E= 0.67573711E+03 F= 0.62940753E+03 E0= 0.65775778E+03 EK= 0.42843E+02 SP= 0.34E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326052810929E+03 0.80866E+00 -0.94327E-02 7520 0.215E+01 0.221E-01 RMM: 2 -0.326064765827E+03 -0.11955E-01 -0.83693E-02 4863 0.712E-01 0.874E-01 RMM: 3 -0.326059448298E+03 0.53175E-02 -0.10016E-02 5568 0.207E-01 0.173E-01 RMM: 4 -0.326059362832E+03 0.85466E-04 -0.96037E-04 4699 0.728E-02 0.180E-01 RMM: 5 -0.326059184384E+03 0.17845E-03 -0.19506E-04 3871 0.370E-02 0.901E-02 RMM: 6 -0.326059128912E+03 0.55471E-04 -0.36604E-05 2992 0.189E-02 0.237E-02 RMM: 7 -0.326059132488E+03 -0.35759E-05 -0.16645E-05 2490 0.126E-02 8302 T= 5148. E= 0.67573993E+03 F= 0.63020986E+03 E0= 0.65852419E+03 EK= 0.41921E+02 SP= 0.36E+01 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325512175329E+03 0.54695E+00 -0.91993E-02 7448 0.212E+01 0.155E-01 RMM: 2 -0.325523466498E+03 -0.11291E-01 -0.85536E-02 4827 0.718E-01 0.740E-01 RMM: 3 -0.325519698705E+03 0.37678E-02 -0.10350E-02 5844 0.193E-01 0.147E-01 RMM: 4 -0.325519424706E+03 0.27400E-03 -0.50990E-04 4695 0.519E-02 0.707E-02 RMM: 5 -0.325519393447E+03 0.31259E-04 -0.68545E-05 3425 0.248E-02 0.511E-02 RMM: 6 -0.325519382134E+03 0.11313E-04 -0.20303E-05 2522 0.132E-02 8303 T= 5072. E= 0.67574153E+03 F= 0.63074961E+03 E0= 0.65903674E+03 EK= 0.41304E+02 SP= 0.37E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325246798475E+03 0.27259E+00 -0.87199E-02 7384 0.211E+01 0.174E-01 RMM: 2 -0.325258284519E+03 -0.11486E-01 -0.63239E-02 4844 0.618E-01 0.941E-01 RMM: 3 -0.325252181853E+03 0.61027E-02 -0.77080E-03 5435 0.192E-01 0.171E-01 RMM: 4 -0.325251973271E+03 0.20858E-03 -0.59182E-04 4661 0.508E-02 0.711E-02 RMM: 5 -0.325251948239E+03 0.25032E-04 -0.68595E-05 3429 0.241E-02 0.568E-02 RMM: 6 -0.325251932976E+03 0.15263E-04 -0.20953E-05 2531 0.139E-02 8304 T= 5035. E= 0.67574154E+03 F= 0.63101706E+03 E0= 0.65928649E+03 EK= 0.41001E+02 SP= 0.37E+01 SK= 0.62E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.325237211293E+03 0.14737E-01 -0.93411E-02 7512 0.211E+01 0.296E-01 RMM: 2 -0.325262917705E+03 -0.25706E-01 -0.89448E-02 4800 0.759E-01 0.164E+00 RMM: 3 -0.325244262987E+03 0.18655E-01 -0.13109E-02 5343 0.273E-01 0.288E-01 RMM: 4 -0.325243643837E+03 0.61915E-03 -0.14611E-03 4790 0.790E-02 0.645E-02 RMM: 5 -0.325243636713E+03 0.71246E-05 -0.16534E-04 4250 0.279E-02 8305 T= 5035. E= 0.67574047E+03 F= 0.63102535E+03 E0= 0.65928749E+03 EK= 0.41000E+02 SP= 0.37E+01 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325455114988E+03 -0.21147E+00 -0.89229E-02 7624 0.212E+01 0.155E-01 RMM: 2 -0.325466526809E+03 -0.11412E-01 -0.69592E-02 4870 0.636E-01 0.847E-01 RMM: 3 -0.325461317800E+03 0.52090E-02 -0.84007E-03 5475 0.193E-01 0.183E-01 RMM: 4 -0.325461061070E+03 0.25673E-03 -0.63434E-04 4615 0.549E-02 0.751E-02 RMM: 5 -0.325461030956E+03 0.30115E-04 -0.75866E-05 3543 0.246E-02 0.585E-02 RMM: 6 -0.325461014174E+03 0.16781E-04 -0.20310E-05 2521 0.135E-02 8306 T= 5068. E= 0.67573866E+03 F= 0.63080798E+03 E0= 0.65907271E+03 EK= 0.41267E+02 SP= 0.36E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325851572950E+03 -0.39054E+00 -0.91823E-02 7512 0.213E+01 0.213E-01 RMM: 2 -0.325866610568E+03 -0.15038E-01 -0.79679E-02 4779 0.697E-01 0.110E+00 RMM: 3 -0.325858249963E+03 0.83606E-02 -0.10164E-02 5461 0.219E-01 0.198E-01 RMM: 4 -0.325857934570E+03 0.31539E-03 -0.84082E-04 4734 0.604E-02 0.717E-02 RMM: 5 -0.325857917002E+03 0.17568E-04 -0.10535E-04 3797 0.274E-02 8307 T= 5128. E= 0.67573545E+03 F= 0.63041107E+03 E0= 0.65868723E+03 EK= 0.41756E+02 SP= 0.35E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326374608356E+03 -0.51667E+00 -0.91562E-02 7640 0.216E+01 0.156E-01 RMM: 2 -0.326385955702E+03 -0.11347E-01 -0.70776E-02 4852 0.648E-01 0.864E-01 RMM: 3 -0.326380826844E+03 0.51289E-02 -0.86482E-03 5543 0.193E-01 0.156E-01 RMM: 4 -0.326380636200E+03 0.19064E-03 -0.58104E-04 4644 0.517E-02 0.901E-02 RMM: 5 -0.326380578841E+03 0.57360E-04 -0.75699E-05 3526 0.258E-02 0.512E-02 RMM: 6 -0.326380568512E+03 0.10329E-04 -0.21744E-05 2518 0.138E-02 8308 T= 5208. E= 0.67573299E+03 F= 0.62988842E+03 E0= 0.65818180E+03 EK= 0.42415E+02 SP= 0.34E+01 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326975859109E+03 -0.59528E+00 -0.92897E-02 7568 0.218E+01 0.199E-01 RMM: 2 -0.326991832330E+03 -0.15973E-01 -0.71584E-02 4724 0.656E-01 0.120E+00 RMM: 3 -0.326981867828E+03 0.99645E-02 -0.93169E-03 5436 0.214E-01 0.181E-01 RMM: 4 -0.326981618594E+03 0.24923E-03 -0.79737E-04 4668 0.595E-02 0.657E-02 RMM: 5 -0.326981593904E+03 0.24691E-04 -0.96287E-05 3805 0.261E-02 0.540E-02 RMM: 6 -0.326981577769E+03 0.16135E-04 -0.19901E-05 2527 0.131E-02 8309 T= 5304. E= 0.67573074E+03 F= 0.62928741E+03 E0= 0.65760280E+03 EK= 0.43194E+02 SP= 0.31E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327617804958E+03 -0.63621E+00 -0.95265E-02 7536 0.221E+01 0.222E-01 RMM: 2 -0.327635188901E+03 -0.17384E-01 -0.73296E-02 4808 0.673E-01 0.128E+00 RMM: 3 -0.327623830341E+03 0.11359E-01 -0.10031E-02 5402 0.230E-01 0.221E-01 RMM: 4 -0.327623490357E+03 0.33998E-03 -0.95847E-04 4690 0.642E-02 0.747E-02 RMM: 5 -0.327623452413E+03 0.37944E-04 -0.11589E-04 3865 0.278E-02 0.671E-02 RMM: 6 -0.327623426550E+03 0.25863E-04 -0.23745E-05 2550 0.148E-02 0.372E-02 RMM: 7 -0.327623424363E+03 0.21869E-05 -0.13964E-05 2485 0.120E-02 8310 T= 5410. E= 0.67572937E+03 F= 0.62864556E+03 E0= 0.65698489E+03 EK= 0.44057E+02 SP= 0.29E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328277905809E+03 -0.65448E+00 -0.95148E-02 7736 0.223E+01 0.169E-01 RMM: 2 -0.328288976841E+03 -0.11071E-01 -0.73980E-02 4721 0.670E-01 0.821E-01 RMM: 3 -0.328284316243E+03 0.46606E-02 -0.92126E-03 5612 0.197E-01 0.191E-01 RMM: 4 -0.328284006395E+03 0.30985E-03 -0.65807E-04 4678 0.580E-02 0.629E-02 RMM: 5 -0.328283994321E+03 0.12074E-04 -0.92517E-05 3675 0.259E-02 8311 T= 5523. E= 0.67572915E+03 F= 0.62798499E+03 E0= 0.65634880E+03 EK= 0.44979E+02 SP= 0.25E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328951115684E+03 -0.66711E+00 -0.99685E-02 7608 0.226E+01 0.132E-01 RMM: 2 -0.328962050667E+03 -0.10935E-01 -0.87634E-02 4788 0.715E-01 0.678E-01 RMM: 3 -0.328958958393E+03 0.30923E-02 -0.10609E-02 5956 0.189E-01 0.123E-01 RMM: 4 -0.328958708936E+03 0.24946E-03 -0.42928E-04 4793 0.479E-02 0.739E-02 RMM: 5 -0.328958663631E+03 0.45306E-04 -0.55720E-05 3137 0.235E-02 0.551E-02 RMM: 6 -0.328958655309E+03 0.83215E-05 -0.22275E-05 2512 0.141E-02 8312 T= 5643. E= 0.67572977E+03 F= 0.62731033E+03 E0= 0.65569647E+03 EK= 0.45953E+02 SP= 0.22E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329652349469E+03 -0.69369E+00 -0.99045E-02 7464 0.228E+01 0.208E-01 RMM: 2 -0.329670178663E+03 -0.17829E-01 -0.85009E-02 4738 0.717E-01 0.124E+00 RMM: 3 -0.329659450469E+03 0.10728E-01 -0.10600E-02 5441 0.227E-01 0.192E-01 RMM: 4 -0.329659180010E+03 0.27046E-03 -0.90608E-04 4836 0.601E-02 0.597E-02 RMM: 5 -0.329659168018E+03 0.11992E-04 -0.10610E-04 3849 0.268E-02 8313 T= 5770. E= 0.67573144E+03 F= 0.62660982E+03 E0= 0.65501599E+03 EK= 0.46990E+02 SP= 0.18E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330400861843E+03 -0.74168E+00 -0.10075E-01 7432 0.230E+01 0.224E-01 RMM: 2 -0.330419626723E+03 -0.18765E-01 -0.86162E-02 4933 0.728E-01 0.129E+00 RMM: 3 -0.330408020058E+03 0.11607E-01 -0.10565E-02 5442 0.230E-01 0.247E-01 RMM: 4 -0.330407576964E+03 0.44309E-03 -0.99975E-04 4676 0.676E-02 0.701E-02 RMM: 5 -0.330407553592E+03 0.23372E-04 -0.12656E-04 4033 0.276E-02 0.768E-02 RMM: 6 -0.330407520739E+03 0.32853E-04 -0.24867E-05 2569 0.150E-02 0.434E-02 RMM: 7 -0.330407519237E+03 0.15016E-05 -0.20292E-05 2532 0.138E-02 8314 T= 5908. E= 0.67573297E+03 F= 0.62586147E+03 E0= 0.65428315E+03 EK= 0.48107E+02 SP= 0.14E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331217691132E+03 -0.81017E+00 -0.10666E-01 7560 0.232E+01 0.175E-01 RMM: 2 -0.331231642357E+03 -0.13951E-01 -0.11020E-01 4688 0.820E-01 0.795E-01 RMM: 3 -0.331227389148E+03 0.42532E-02 -0.13124E-02 5836 0.214E-01 0.157E-01 RMM: 4 -0.331227097778E+03 0.29137E-03 -0.72920E-04 4915 0.614E-02 0.899E-02 RMM: 5 -0.331227065596E+03 0.32182E-04 -0.10885E-04 3769 0.268E-02 0.723E-02 RMM: 6 -0.331227032957E+03 0.32640E-04 -0.28644E-05 2734 0.163E-02 0.219E-02 RMM: 7 -0.331227036553E+03 -0.35964E-05 -0.11843E-05 2482 0.111E-02 8315 T= 6057. E= 0.67573377E+03 F= 0.62504195E+03 E0= 0.65347565E+03 EK= 0.49325E+02 SP= 0.98E+00 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332127073287E+03 -0.90004E+00 -0.10622E-01 7624 0.234E+01 0.144E-01 RMM: 2 -0.332138252455E+03 -0.11179E-01 -0.99996E-02 4831 0.781E-01 0.580E-01 RMM: 3 -0.332135936208E+03 0.23162E-02 -0.11213E-02 5974 0.190E-01 0.118E-01 RMM: 4 -0.332135723261E+03 0.21295E-03 -0.56042E-04 4621 0.593E-02 0.102E-01 RMM: 5 -0.332135657016E+03 0.66245E-04 -0.87029E-05 3582 0.273E-02 0.601E-02 RMM: 6 -0.332135638097E+03 0.18920E-04 -0.23476E-05 2543 0.144E-02 8316 T= 6221. E= 0.67573394E+03 F= 0.62413335E+03 E0= 0.65257509E+03 EK= 0.50658E+02 SP= 0.53E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333132531224E+03 -0.99687E+00 -0.10202E-01 7512 0.236E+01 0.149E-01 RMM: 2 -0.333143744710E+03 -0.11213E-01 -0.82131E-02 4814 0.706E-01 0.765E-01 RMM: 3 -0.333139801179E+03 0.39435E-02 -0.96781E-03 5745 0.189E-01 0.155E-01 RMM: 4 -0.333139539900E+03 0.26128E-03 -0.51277E-04 4669 0.522E-02 0.636E-02 RMM: 5 -0.333139513826E+03 0.26074E-04 -0.69640E-05 3416 0.241E-02 0.565E-02 RMM: 6 -0.333139499884E+03 0.13941E-04 -0.20180E-05 2514 0.134E-02 8317 T= 6399. E= 0.67573298E+03 F= 0.62312949E+03 E0= 0.65157735E+03 EK= 0.52106E+02 SP= 0.70E-01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334222649713E+03 -0.10831E+01 -0.10611E-01 7536 0.239E+01 0.268E-01 RMM: 2 -0.334246023503E+03 -0.23374E-01 -0.89095E-02 4870 0.751E-01 0.154E+00 RMM: 3 -0.334229725611E+03 0.16298E-01 -0.12105E-02 5373 0.256E-01 0.239E-01 RMM: 4 -0.334229300340E+03 0.42527E-03 -0.12162E-03 4729 0.714E-02 0.770E-02 RMM: 5 -0.334229283796E+03 0.16544E-04 -0.15296E-04 3900 0.303E-02 8318 T= 6589. E= 0.67573162E+03 F= 0.62203971E+03 E0= 0.65049268E+03 EK= 0.53657E+02 SP= -.39E+00 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335371857842E+03 -0.11426E+01 -0.10407E-01 7496 0.242E+01 0.173E-01 RMM: 2 -0.335384107821E+03 -0.12250E-01 -0.69639E-02 5086 0.636E-01 0.942E-01 RMM: 3 -0.335377948022E+03 0.61598E-02 -0.79833E-03 5434 0.190E-01 0.199E-01 RMM: 4 -0.335377665334E+03 0.28269E-03 -0.68622E-04 4648 0.557E-02 0.764E-02 RMM: 5 -0.335377628230E+03 0.37104E-04 -0.88533E-05 3688 0.253E-02 0.609E-02 RMM: 6 -0.335377608598E+03 0.19632E-04 -0.19729E-05 2534 0.132E-02 8319 T= 6788. E= 0.67572913E+03 F= 0.62089138E+03 E0= 0.64935117E+03 EK= 0.55276E+02 SP= -.85E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336532775041E+03 -0.11551E+01 -0.10804E-01 7624 0.245E+01 0.184E-01 RMM: 2 -0.336545507355E+03 -0.12732E-01 -0.73649E-02 4821 0.674E-01 0.969E-01 RMM: 3 -0.336539138709E+03 0.63686E-02 -0.88473E-03 5483 0.200E-01 0.185E-01 RMM: 4 -0.336538870703E+03 0.26801E-03 -0.70862E-04 4658 0.586E-02 0.753E-02 RMM: 5 -0.336538841008E+03 0.29695E-04 -0.98234E-05 3804 0.265E-02 0.618E-02 RMM: 6 -0.336538820927E+03 0.20081E-04 -0.22165E-05 2537 0.141E-02 0.360E-02 RMM: 7 -0.336538822245E+03 -0.13183E-05 -0.14753E-05 2490 0.122E-02 8320 T= 6988. E= 0.67572469E+03 F= 0.61973017E+03 E0= 0.64819910E+03 EK= 0.56908E+02 SP= -.13E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337646003825E+03 -0.11072E+01 -0.10871E-01 7744 0.248E+01 0.208E-01 RMM: 2 -0.337660112006E+03 -0.14108E-01 -0.87553E-02 4811 0.742E-01 0.100E+00 RMM: 3 -0.337653493578E+03 0.66184E-02 -0.11016E-02 5539 0.219E-01 0.198E-01 RMM: 4 -0.337653227501E+03 0.26608E-03 -0.88236E-04 4699 0.657E-02 0.114E-01 RMM: 5 -0.337653177546E+03 0.49955E-04 -0.15465E-04 3850 0.336E-02 0.880E-02 RMM: 6 -0.337653126909E+03 0.50636E-04 -0.44237E-05 3105 0.201E-02 0.250E-02 RMM: 7 -0.337653127807E+03 -0.89796E-06 -0.13390E-05 2492 0.118E-02 8321 T= 7182. E= 0.67571974E+03 F= 0.61861586E+03 E0= 0.64709701E+03 EK= 0.58486E+02 SP= -.17E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338642830827E+03 -0.98970E+00 -0.12078E-01 7480 0.250E+01 0.151E-01 RMM: 2 -0.338656412836E+03 -0.13582E-01 -0.10902E-01 4745 0.801E-01 0.734E-01 RMM: 3 -0.338652666831E+03 0.37460E-02 -0.13138E-02 5889 0.210E-01 0.130E-01 RMM: 4 -0.338652401145E+03 0.26569E-03 -0.60781E-04 4750 0.580E-02 0.945E-02 RMM: 5 -0.338652338290E+03 0.62855E-04 -0.90712E-05 3615 0.288E-02 0.522E-02 RMM: 6 -0.338652324490E+03 0.13800E-04 -0.22576E-05 2523 0.140E-02 8322 T= 7360. E= 0.67571489E+03 F= 0.61761666E+03 E0= 0.64611250E+03 EK= 0.59932E+02 SP= -.21E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339456672302E+03 -0.80433E+00 -0.12393E-01 7560 0.253E+01 0.159E-01 RMM: 2 -0.339470132376E+03 -0.13460E-01 -0.96899E-02 4757 0.757E-01 0.828E-01 RMM: 3 -0.339465324496E+03 0.48079E-02 -0.11760E-02 5731 0.212E-01 0.168E-01 RMM: 4 -0.339465022447E+03 0.30205E-03 -0.62130E-04 4787 0.560E-02 0.669E-02 RMM: 5 -0.339464993411E+03 0.29036E-04 -0.82109E-05 3610 0.261E-02 0.586E-02 RMM: 6 -0.339464980242E+03 0.13170E-04 -0.21541E-05 2523 0.139E-02 8323 T= 7511. E= 0.67571023E+03 F= 0.61680401E+03 E0= 0.64531847E+03 EK= 0.61164E+02 SP= -.25E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340013817483E+03 -0.54882E+00 -0.12737E-01 7608 0.255E+01 0.278E-01 RMM: 2 -0.340041764230E+03 -0.27947E-01 -0.11637E-01 4733 0.844E-01 0.163E+00 RMM: 3 -0.340023479553E+03 0.18285E-01 -0.15722E-02 5418 0.284E-01 0.263E-01 RMM: 4 -0.340022968753E+03 0.51080E-03 -0.15199E-03 4883 0.793E-02 0.834E-02 RMM: 5 -0.340022948375E+03 0.20378E-04 -0.18767E-04 4072 0.318E-02 0.835E-02 RMM: 6 -0.340022905958E+03 0.42418E-04 -0.32144E-05 2689 0.172E-02 0.410E-02 RMM: 7 -0.340022904948E+03 0.10096E-05 -0.16162E-05 2497 0.128E-02 8324 T= 7626. E= 0.67570673E+03 F= 0.61624608E+03 E0= 0.64478181E+03 EK= 0.62106E+02 SP= -.28E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340263738909E+03 -0.24083E+00 -0.12428E-01 7672 0.256E+01 0.226E-01 RMM: 2 -0.340281216890E+03 -0.17478E-01 -0.93203E-02 4782 0.751E-01 0.118E+00 RMM: 3 -0.340271686273E+03 0.95306E-02 -0.12023E-02 5416 0.246E-01 0.264E-01 RMM: 4 -0.340271224183E+03 0.46209E-03 -0.11815E-03 4737 0.743E-02 0.942E-02 RMM: 5 -0.340271225049E+03 -0.86591E-06 -0.18016E-04 3878 0.362E-02 8325 T= 7699. E= 0.67570594E+03 F= 0.61599776E+03 E0= 0.64455626E+03 EK= 0.62694E+02 SP= -.31E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340163198828E+03 0.10803E+00 -0.13017E-01 7624 0.256E+01 0.152E-01 RMM: 2 -0.340178233410E+03 -0.15035E-01 -0.11742E-01 4740 0.822E-01 0.795E-01 RMM: 3 -0.340173827904E+03 0.44055E-02 -0.14461E-02 5902 0.227E-01 0.145E-01 RMM: 4 -0.340173527700E+03 0.30020E-03 -0.59706E-04 4907 0.557E-02 0.823E-02 RMM: 5 -0.340173473288E+03 0.54412E-04 -0.85418E-05 3650 0.278E-02 0.585E-02 RMM: 6 -0.340173464048E+03 0.92401E-05 -0.27926E-05 2555 0.158E-02 8326 T= 7722. E= 0.67570763E+03 F= 0.61609553E+03 E0= 0.64467737E+03 EK= 0.62886E+02 SP= -.34E+01 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339712018864E+03 0.46145E+00 -0.13481E-01 7448 0.256E+01 0.236E-01 RMM: 2 -0.339734079115E+03 -0.22060E-01 -0.11883E-01 4707 0.835E-01 0.131E+00 RMM: 3 -0.339722035516E+03 0.12044E-01 -0.14684E-02 5494 0.260E-01 0.213E-01 RMM: 4 -0.339721691196E+03 0.34432E-03 -0.11972E-03 4773 0.723E-02 0.862E-02 RMM: 5 -0.339721657056E+03 0.34140E-04 -0.15003E-04 4183 0.299E-02 0.597E-02 RMM: 6 -0.339721635646E+03 0.21410E-04 -0.25236E-05 2582 0.147E-02 0.282E-02 RMM: 7 -0.339721638351E+03 -0.27054E-05 -0.12375E-05 2484 0.120E-02 8327 T= 7696. E= 0.67571022E+03 F= 0.61654735E+03 E0= 0.64515281E+03 EK= 0.62670E+02 SP= -.36E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338930889495E+03 0.79075E+00 -0.13356E-01 7536 0.255E+01 0.259E-01 RMM: 2 -0.338953450276E+03 -0.22561E-01 -0.11685E-01 4897 0.837E-01 0.138E+00 RMM: 3 -0.338940566042E+03 0.12884E-01 -0.14546E-02 5493 0.262E-01 0.241E-01 RMM: 4 -0.338940136907E+03 0.42914E-03 -0.12775E-03 4763 0.770E-02 0.105E-01 RMM: 5 -0.338940088712E+03 0.48195E-04 -0.17903E-04 3901 0.337E-02 0.903E-02 RMM: 6 -0.338940033559E+03 0.55152E-04 -0.39755E-05 3006 0.187E-02 0.371E-02 RMM: 7 -0.338940030971E+03 0.25888E-05 -0.16130E-05 2495 0.126E-02 8328 T= 7622. E= 0.67571541E+03 F= 0.61732896E+03 E0= 0.64595625E+03 EK= 0.62072E+02 SP= -.37E+01 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337877175719E+03 0.10629E+01 -0.13148E-01 7392 0.252E+01 0.179E-01 RMM: 2 -0.337890827924E+03 -0.13652E-01 -0.10409E-01 4930 0.774E-01 0.831E-01 RMM: 3 -0.337886124805E+03 0.47031E-02 -0.11822E-02 5803 0.214E-01 0.156E-01 RMM: 4 -0.337885861499E+03 0.26331E-03 -0.63426E-04 4814 0.561E-02 0.939E-02 RMM: 5 -0.337885814762E+03 0.46737E-04 -0.92230E-05 3636 0.273E-02 0.661E-02 RMM: 6 -0.337885791843E+03 0.22919E-04 -0.25305E-05 2566 0.152E-02 0.406E-02 RMM: 7 -0.337885794410E+03 -0.25674E-05 -0.26945E-05 2541 0.158E-02 8329 T= 7509. E= 0.67572206E+03 F= 0.61838319E+03 E0= 0.64703070E+03 EK= 0.61150E+02 SP= -.38E+01 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336634815214E+03 0.12510E+01 -0.12879E-01 7656 0.250E+01 0.204E-01 RMM: 2 -0.336649970092E+03 -0.15155E-01 -0.11208E-01 4866 0.815E-01 0.922E-01 RMM: 3 -0.336644416242E+03 0.55538E-02 -0.13272E-02 5865 0.225E-01 0.176E-01 RMM: 4 -0.336644114523E+03 0.30172E-03 -0.77015E-04 4676 0.648E-02 0.122E-01 RMM: 5 -0.336644038059E+03 0.76464E-04 -0.12434E-04 3750 0.307E-02 0.778E-02 RMM: 6 -0.336644001429E+03 0.36630E-04 -0.32039E-05 2832 0.172E-02 0.348E-02 RMM: 7 -0.336644002895E+03 -0.14653E-05 -0.16023E-05 2494 0.128E-02 8330 T= 7367. E= 0.67573031E+03 F= 0.61962499E+03 E0= 0.64828963E+03 EK= 0.59996E+02 SP= -.39E+01 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335310161803E+03 0.13338E+01 -0.13001E-01 7608 0.246E+01 0.189E-01 RMM: 2 -0.335326423795E+03 -0.16262E-01 -0.13281E-01 4881 0.873E-01 0.823E-01 RMM: 3 -0.335321833618E+03 0.45902E-02 -0.15503E-02 5948 0.231E-01 0.143E-01 RMM: 4 -0.335321522497E+03 0.31112E-03 -0.73509E-04 4884 0.620E-02 0.117E-01 RMM: 5 -0.335321446846E+03 0.75651E-04 -0.11469E-04 3747 0.312E-02 0.683E-02 RMM: 6 -0.335321421163E+03 0.25683E-04 -0.29012E-05 2610 0.160E-02 0.408E-02 RMM: 7 -0.335321419863E+03 0.12992E-05 -0.26712E-05 2524 0.160E-02 8331 T= 7211. E= 0.67573961E+03 F= 0.62094757E+03 E0= 0.64962665E+03 EK= 0.58723E+02 SP= -.39E+01 SK= 0.10E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334022401506E+03 0.12990E+01 -0.12887E-01 7624 0.243E+01 0.186E-01 RMM: 2 -0.334038719076E+03 -0.16318E-01 -0.13628E-01 4816 0.886E-01 0.791E-01 RMM: 3 -0.334034413813E+03 0.43053E-02 -0.15842E-02 5962 0.234E-01 0.159E-01 RMM: 4 -0.334034051308E+03 0.36251E-03 -0.74553E-04 4795 0.645E-02 0.108E-01 RMM: 5 -0.334033985684E+03 0.65624E-04 -0.11158E-04 3760 0.301E-02 0.679E-02 RMM: 6 -0.334033961459E+03 0.24224E-04 -0.27216E-05 2571 0.157E-02 0.383E-02 RMM: 7 -0.334033964183E+03 -0.27236E-05 -0.21237E-05 2509 0.144E-02 8332 T= 7055. E= 0.67574870E+03 F= 0.62223503E+03 E0= 0.65092533E+03 EK= 0.57455E+02 SP= -.39E+01 SK= 0.64E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.332882960905E+03 0.11510E+01 -0.12132E-01 7688 0.241E+01 0.192E-01 RMM: 2 -0.332896926472E+03 -0.13966E-01 -0.11100E-01 4964 0.798E-01 0.807E-01 RMM: 3 -0.332892437354E+03 0.44891E-02 -0.12406E-02 5896 0.216E-01 0.141E-01 RMM: 4 -0.332892205840E+03 0.23151E-03 -0.65613E-04 4827 0.570E-02 0.122E-01 RMM: 5 -0.332892127839E+03 0.78001E-04 -0.10270E-04 3680 0.292E-02 0.718E-02 RMM: 6 -0.332892097330E+03 0.30509E-04 -0.27798E-05 2636 0.159E-02 0.358E-02 RMM: 7 -0.332892097305E+03 0.24418E-07 -0.24331E-05 2511 0.153E-02 8333 T= 6914. E= 0.67575600E+03 F= 0.62337689E+03 E0= 0.65207566E+03 EK= 0.56307E+02 SP= -.39E+01 SK= 0.83E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.331976178325E+03 0.91592E+00 -0.11907E-01 7848 0.239E+01 0.182E-01 RMM: 2 -0.331988770925E+03 -0.12593E-01 -0.97314E-02 5061 0.747E-01 0.792E-01 RMM: 3 -0.331984465366E+03 0.43056E-02 -0.10323E-02 5894 0.198E-01 0.170E-01 RMM: 4 -0.331984175082E+03 0.29028E-03 -0.58614E-04 4689 0.557E-02 0.971E-02 RMM: 5 -0.331984120289E+03 0.54793E-04 -0.87169E-05 3585 0.251E-02 0.641E-02 RMM: 6 -0.331984098862E+03 0.21426E-04 -0.23089E-05 2560 0.148E-02 0.353E-02 RMM: 7 -0.331984100333E+03 -0.14710E-05 -0.24801E-05 2519 0.151E-02 8334 T= 6800. E= 0.67576046E+03 F= 0.62428489E+03 E0= 0.65298893E+03 EK= 0.55374E+02 SP= -.39E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331354963776E+03 0.62914E+00 -0.11983E-01 7696 0.237E+01 0.177E-01 RMM: 2 -0.331367337993E+03 -0.12374E-01 -0.99670E-02 5068 0.755E-01 0.734E-01 RMM: 3 -0.331363426557E+03 0.39114E-02 -0.10566E-02 5869 0.199E-01 0.146E-01 RMM: 4 -0.331363206874E+03 0.21968E-03 -0.57411E-04 4695 0.539E-02 0.106E-01 RMM: 5 -0.331363141423E+03 0.65452E-04 -0.85321E-05 3570 0.255E-02 0.657E-02 RMM: 6 -0.331363117920E+03 0.23502E-04 -0.22715E-05 2555 0.148E-02 0.346E-02 RMM: 7 -0.331363119902E+03 -0.19819E-05 -0.16389E-05 2488 0.125E-02 8335 T= 6719. E= 0.67576222E+03 F= 0.62490587E+03 E0= 0.65361312E+03 EK= 0.54713E+02 SP= -.39E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331032511830E+03 0.33061E+00 -0.11453E-01 7736 0.237E+01 0.163E-01 RMM: 2 -0.331043462977E+03 -0.10951E-01 -0.90281E-02 5125 0.711E-01 0.679E-01 RMM: 3 -0.331040086586E+03 0.33764E-02 -0.88539E-03 5962 0.183E-01 0.140E-01 RMM: 4 -0.331039886966E+03 0.19962E-03 -0.46700E-04 4565 0.505E-02 0.102E-01 RMM: 5 -0.331039819918E+03 0.67048E-04 -0.70292E-05 3445 0.238E-02 0.569E-02 RMM: 6 -0.331039805009E+03 0.14909E-04 -0.20561E-05 2535 0.140E-02 8336 T= 6673. E= 0.67576162E+03 F= 0.62522918E+03 E0= 0.65393816E+03 EK= 0.54340E+02 SP= -.38E+01 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330974938699E+03 0.64881E-01 -0.11275E-01 7616 0.237E+01 0.194E-01 RMM: 2 -0.330991039689E+03 -0.16101E-01 -0.93533E-02 5096 0.724E-01 0.109E+00 RMM: 3 -0.330982685422E+03 0.83543E-02 -0.96785E-03 5584 0.211E-01 0.171E-01 RMM: 4 -0.330982457874E+03 0.22755E-03 -0.70034E-04 4769 0.552E-02 0.842E-02 RMM: 5 -0.330982409364E+03 0.48510E-04 -0.82580E-05 3719 0.250E-02 0.608E-02 RMM: 6 -0.330982397340E+03 0.12024E-04 -0.22224E-05 2550 0.139E-02 8337 T= 6658. E= 0.67575787E+03 F= 0.62528659E+03 E0= 0.65399704E+03 EK= 0.54222E+02 SP= -.38E+01 SK= 0.67E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331112044079E+03 -0.12963E+00 -0.11159E-01 7600 0.238E+01 0.273E-01 RMM: 2 -0.331138214176E+03 -0.26170E-01 -0.91968E-02 5086 0.736E-01 0.163E+00 RMM: 3 -0.331119319744E+03 0.18894E-01 -0.12049E-02 5396 0.261E-01 0.250E-01 RMM: 4 -0.331118883106E+03 0.43664E-03 -0.12728E-03 4709 0.747E-02 0.885E-02 RMM: 5 -0.331118846516E+03 0.36590E-04 -0.14272E-04 3941 0.305E-02 0.809E-02 RMM: 6 -0.331118809328E+03 0.37188E-04 -0.28503E-05 2636 0.163E-02 0.472E-02 RMM: 7 -0.331118818269E+03 -0.89411E-05 -0.26028E-05 2580 0.157E-02 8338 T= 6667. E= 0.67575274E+03 F= 0.62515017E+03 E0= 0.65386389E+03 EK= 0.54291E+02 SP= -.37E+01 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331347683791E+03 -0.22887E+00 -0.11345E-01 7440 0.240E+01 0.269E-01 RMM: 2 -0.331368812901E+03 -0.21129E-01 -0.96024E-02 5023 0.761E-01 0.139E+00 RMM: 3 -0.331355382374E+03 0.13431E-01 -0.12131E-02 5395 0.255E-01 0.278E-01 RMM: 4 -0.331354874349E+03 0.50803E-03 -0.13780E-03 4792 0.803E-02 0.106E-01 RMM: 5 -0.331354857525E+03 0.16824E-04 -0.18518E-04 3897 0.343E-02 8339 T= 6687. E= 0.67574843E+03 F= 0.62491413E+03 E0= 0.65363499E+03 EK= 0.54454E+02 SP= -.36E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331585894537E+03 -0.23102E+00 -0.11523E-01 7672 0.240E+01 0.179E-01 RMM: 2 -0.331599533878E+03 -0.13639E-01 -0.90088E-02 5148 0.704E-01 0.910E-01 RMM: 3 -0.331593569643E+03 0.59642E-02 -0.90195E-03 5563 0.202E-01 0.192E-01 RMM: 4 -0.331593293899E+03 0.27574E-03 -0.64356E-04 4786 0.543E-02 0.892E-02 RMM: 5 -0.331593230959E+03 0.62940E-04 -0.78814E-05 3655 0.241E-02 0.734E-02 RMM: 6 -0.331593210763E+03 0.20196E-04 -0.25557E-05 2564 0.150E-02 0.642E-02 RMM: 7 -0.331593200429E+03 0.10335E-04 -0.13729E-04 3899 0.262E-02 8340 T= 6706. E= 0.67574402E+03 F= 0.62467579E+03 E0= 0.65340955E+03 EK= 0.54611E+02 SP= -.36E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331745053542E+03 -0.15184E+00 -0.11858E-01 7592 0.241E+01 0.238E-01 RMM: 2 -0.331759155890E+03 -0.14102E-01 -0.89952E-02 4765 0.747E-01 0.998E-01 RMM: 3 -0.331752351337E+03 0.68046E-02 -0.11718E-02 5561 0.239E-01 0.200E-01 RMM: 4 -0.331752132050E+03 0.21929E-03 -0.93714E-04 4685 0.672E-02 0.137E-01 RMM: 5 -0.331752033514E+03 0.98536E-04 -0.14043E-04 3839 0.318E-02 0.852E-02 RMM: 6 -0.331751986914E+03 0.46600E-04 -0.37110E-05 2964 0.187E-02 0.222E-02 RMM: 7 -0.331751990966E+03 -0.40523E-05 -0.13374E-05 2488 0.122E-02 8341 T= 6715. E= 0.67573955E+03 F= 0.62451700E+03 E0= 0.65327028E+03 EK= 0.54681E+02 SP= -.35E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331764050114E+03 -0.12063E-01 -0.11917E-01 7688 0.242E+01 0.156E-01 RMM: 2 -0.331774886521E+03 -0.10836E-01 -0.87056E-02 4963 0.711E-01 0.681E-01 RMM: 3 -0.331771661239E+03 0.32253E-02 -0.98378E-03 5906 0.195E-01 0.148E-01 RMM: 4 -0.331771421428E+03 0.23981E-03 -0.44622E-04 4623 0.494E-02 0.853E-02 RMM: 5 -0.331771356825E+03 0.64603E-04 -0.61342E-05 3328 0.240E-02 0.608E-02 RMM: 6 -0.331771344059E+03 0.12765E-04 -0.23052E-05 2526 0.145E-02 8342 T= 6705. E= 0.67573841E+03 F= 0.62449765E+03 E0= 0.65327694E+03 EK= 0.54606E+02 SP= -.34E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331612724169E+03 0.15863E+00 -0.12256E-01 7504 0.241E+01 0.218E-01 RMM: 2 -0.331629954525E+03 -0.17230E-01 -0.91866E-02 4767 0.752E-01 0.116E+00 RMM: 3 -0.331620627604E+03 0.93269E-02 -0.12067E-02 5450 0.242E-01 0.216E-01 RMM: 4 -0.331620284616E+03 0.34299E-03 -0.89636E-04 4805 0.625E-02 0.725E-02 RMM: 5 -0.331620259230E+03 0.25387E-04 -0.10222E-04 3810 0.293E-02 0.667E-02 RMM: 6 -0.331620238877E+03 0.20353E-04 -0.24941E-05 2558 0.149E-02 0.492E-02 RMM: 7 -0.331620258059E+03 -0.19182E-04 -0.35289E-05 2834 0.176E-02 8343 T= 6674. E= 0.67573802E+03 F= 0.62464873E+03 E0= 0.65346077E+03 EK= 0.54353E+02 SP= -.33E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331278809609E+03 0.34143E+00 -0.11676E-01 7208 0.241E+01 0.244E-01 RMM: 2 -0.331295991043E+03 -0.17181E-01 -0.79424E-02 4764 0.716E-01 0.126E+00 RMM: 3 -0.331285151945E+03 0.10839E-01 -0.10964E-02 5395 0.243E-01 0.242E-01 RMM: 4 -0.331284816367E+03 0.33558E-03 -0.11480E-03 4775 0.759E-02 0.122E-01 RMM: 5 -0.331284790297E+03 0.26070E-04 -0.16863E-04 3871 0.337E-02 0.118E-01 RMM: 6 -0.331284695332E+03 0.94965E-04 -0.50308E-05 3201 0.217E-02 0.263E-02 RMM: 7 -0.331284696775E+03 -0.14431E-05 -0.15861E-05 2503 0.126E-02 8344 T= 6620. E= 0.67573878E+03 F= 0.62498429E+03 E0= 0.65383245E+03 EK= 0.53911E+02 SP= -.32E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330752768405E+03 0.53193E+00 -0.11661E-01 7168 0.240E+01 0.185E-01 RMM: 2 -0.330767202466E+03 -0.14434E-01 -0.94361E-02 4775 0.750E-01 0.947E-01 RMM: 3 -0.330760914940E+03 0.62875E-02 -0.11497E-02 5549 0.223E-01 0.198E-01 RMM: 4 -0.330760579925E+03 0.33501E-03 -0.70858E-04 4749 0.588E-02 0.683E-02 RMM: 5 -0.330760558541E+03 0.21384E-04 -0.97400E-05 3717 0.286E-02 0.679E-02 RMM: 6 -0.330760530729E+03 0.27813E-04 -0.26884E-05 2574 0.156E-02 0.424E-02 RMM: 7 -0.330760537444E+03 -0.67153E-05 -0.26311E-05 2557 0.154E-02 8345 T= 6542. E= 0.67573950E+03 F= 0.62550845E+03 E0= 0.65439437E+03 EK= 0.53277E+02 SP= -.31E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330041109128E+03 0.71942E+00 -0.11326E-01 7680 0.239E+01 0.174E-01 RMM: 2 -0.330052387665E+03 -0.11279E-01 -0.79915E-02 4712 0.705E-01 0.815E-01 RMM: 3 -0.330047880441E+03 0.45072E-02 -0.10122E-02 5672 0.209E-01 0.162E-01 RMM: 4 -0.330047652934E+03 0.22751E-03 -0.60588E-04 4713 0.561E-02 0.837E-02 RMM: 5 -0.330047634874E+03 0.18060E-04 -0.88731E-05 3602 0.273E-02 8346 T= 6441. E= 0.67574156E+03 F= 0.62622135E+03 E0= 0.65514258E+03 EK= 0.52455E+02 SP= -.30E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329144598367E+03 0.90305E+00 -0.11499E-01 7752 0.238E+01 0.127E-01 RMM: 2 -0.329155041039E+03 -0.10443E-01 -0.90354E-02 4862 0.709E-01 0.573E-01 RMM: 3 -0.329152543920E+03 0.24971E-02 -0.10204E-02 5848 0.197E-01 0.146E-01 RMM: 4 -0.329152315215E+03 0.22870E-03 -0.45798E-04 4687 0.478E-02 0.797E-02 RMM: 5 -0.329152272992E+03 0.42223E-04 -0.53524E-05 3058 0.240E-02 0.678E-02 RMM: 6 -0.329152261318E+03 0.11674E-04 -0.24727E-05 2530 0.153E-02 8347 T= 6319. E= 0.67574441E+03 F= 0.62711673E+03 E0= 0.65607043E+03 EK= 0.51455E+02 SP= -.28E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328081582071E+03 0.10707E+01 -0.12246E-01 7720 0.236E+01 0.270E-01 RMM: 2 -0.328109453301E+03 -0.27871E-01 -0.11873E-01 4747 0.831E-01 0.160E+00 RMM: 3 -0.328091434130E+03 0.18019E-01 -0.15438E-02 5406 0.280E-01 0.266E-01 RMM: 4 -0.328090939801E+03 0.49433E-03 -0.15403E-03 4953 0.786E-02 0.827E-02 RMM: 5 -0.328090935982E+03 0.38192E-05 -0.17483E-04 4071 0.307E-02 8348 T= 6177. E= 0.67574876E+03 F= 0.62817805E+03 E0= 0.65715910E+03 EK= 0.50300E+02 SP= -.27E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326891631076E+03 0.11993E+01 -0.11530E-01 7848 0.234E+01 0.283E-01 RMM: 2 -0.326920724011E+03 -0.29093E-01 -0.11060E-01 5023 0.786E-01 0.172E+00 RMM: 3 -0.326900338384E+03 0.20386E-01 -0.13967E-02 5397 0.273E-01 0.285E-01 RMM: 4 -0.326899767213E+03 0.57117E-03 -0.14685E-03 4853 0.786E-02 0.107E-01 RMM: 5 -0.326899721173E+03 0.46041E-04 -0.17413E-04 3959 0.325E-02 0.998E-02 RMM: 6 -0.326899664940E+03 0.56233E-04 -0.34999E-05 2848 0.177E-02 0.638E-02 RMM: 7 -0.326899670746E+03 -0.58060E-05 -0.37107E-05 2920 0.177E-02 8349 T= 6021. E= 0.67575455E+03 F= 0.62936932E+03 E0= 0.65837139E+03 EK= 0.49030E+02 SP= -.27E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325623521464E+03 0.12761E+01 -0.11516E-01 7816 0.231E+01 0.242E-01 RMM: 2 -0.325643279091E+03 -0.19758E-01 -0.12468E-01 4843 0.815E-01 0.117E+00 RMM: 3 -0.325633775530E+03 0.95036E-02 -0.14307E-02 5605 0.246E-01 0.224E-01 RMM: 4 -0.325633417215E+03 0.35832E-03 -0.11842E-03 4803 0.740E-02 0.130E-01 RMM: 5 -0.325633398762E+03 0.18453E-04 -0.18985E-04 3897 0.329E-02 8350 T= 5858. E= 0.67576187E+03 F= 0.63063559E+03 E0= 0.65965418E+03 EK= 0.47706E+02 SP= -.26E+01 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324353545414E+03 0.12799E+01 -0.11097E-01 7720 0.228E+01 0.220E-01 RMM: 2 -0.324371688676E+03 -0.18143E-01 -0.11545E-01 5160 0.790E-01 0.113E+00 RMM: 3 -0.324363138399E+03 0.85503E-02 -0.12607E-02 5765 0.224E-01 0.224E-01 RMM: 4 -0.324362670264E+03 0.46814E-03 -0.87832E-04 4858 0.623E-02 0.106E-01 RMM: 5 -0.324362597036E+03 0.73228E-04 -0.11964E-04 3811 0.277E-02 0.861E-02 RMM: 6 -0.324362563300E+03 0.33736E-04 -0.27876E-05 2665 0.157E-02 0.678E-02 RMM: 7 -0.324362553328E+03 0.99720E-05 -0.53885E-05 3168 0.192E-02 8351 T= 5698. E= 0.67576957E+03 F= 0.63190644E+03 E0= 0.66093527E+03 EK= 0.46401E+02 SP= -.25E+01 SK= 0.20E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323161356663E+03 0.12012E+01 -0.11621E-01 7928 0.225E+01 0.230E-01 RMM: 2 -0.323179497615E+03 -0.18141E-01 -0.12114E-01 4887 0.806E-01 0.109E+00 RMM: 3 -0.323171377999E+03 0.81196E-02 -0.13602E-02 5710 0.238E-01 0.213E-01 RMM: 4 -0.323170994741E+03 0.38326E-03 -0.10237E-03 4776 0.676E-02 0.110E-01 RMM: 5 -0.323170946194E+03 0.48547E-04 -0.14900E-04 3864 0.302E-02 0.888E-02 RMM: 6 -0.323170896992E+03 0.49202E-04 -0.31911E-05 2886 0.170E-02 0.288E-02 RMM: 7 -0.323170898712E+03 -0.17201E-05 -0.12709E-05 2488 0.114E-02 8352 T= 5551. E= 0.67577614E+03 F= 0.63309809E+03 E0= 0.66213368E+03 EK= 0.45202E+02 SP= -.25E+01 SK= 0.91E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.322136434758E+03 0.10345E+01 -0.11206E-01 8000 0.222E+01 0.221E-01 RMM: 2 -0.322154680938E+03 -0.18246E-01 -0.11819E-01 5118 0.791E-01 0.111E+00 RMM: 3 -0.322146118953E+03 0.85620E-02 -0.12501E-02 5773 0.222E-01 0.214E-01 RMM: 4 -0.322145693338E+03 0.42561E-03 -0.88515E-04 4760 0.652E-02 0.113E-01 RMM: 5 -0.322145625399E+03 0.67940E-04 -0.14305E-04 3873 0.300E-02 0.929E-02 RMM: 6 -0.322145573649E+03 0.51750E-04 -0.36963E-05 3017 0.181E-02 0.497E-02 RMM: 7 -0.322145566838E+03 0.68106E-05 -0.19440E-05 2535 0.129E-02 8353 T= 5428. E= 0.67578231E+03 F= 0.63412342E+03 E0= 0.66316102E+03 EK= 0.44200E+02 SP= -.25E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321356622721E+03 0.78895E+00 -0.11099E-01 8608 0.220E+01 0.212E-01 RMM: 2 -0.321371557423E+03 -0.14935E-01 -0.10057E-01 5076 0.736E-01 0.992E-01 RMM: 3 -0.321364795698E+03 0.67617E-02 -0.10840E-02 5771 0.215E-01 0.189E-01 RMM: 4 -0.321364462084E+03 0.33361E-03 -0.78355E-04 4864 0.581E-02 0.826E-02 RMM: 5 -0.321364437574E+03 0.24510E-04 -0.10094E-04 3695 0.262E-02 0.761E-02 RMM: 6 -0.321364404740E+03 0.32834E-04 -0.24445E-05 2596 0.150E-02 0.355E-02 RMM: 7 -0.321364409276E+03 -0.45354E-05 -0.16521E-05 2506 0.126E-02 8354 T= 5339. E= 0.67578685E+03 F= 0.63490458E+03 E0= 0.66394021E+03 EK= 0.43474E+02 SP= -.26E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320875205224E+03 0.48920E+00 -0.11300E-01 8344 0.218E+01 0.192E-01 RMM: 2 -0.320889897017E+03 -0.14692E-01 -0.11106E-01 4997 0.763E-01 0.875E-01 RMM: 3 -0.320884505733E+03 0.53913E-02 -0.11874E-02 5917 0.209E-01 0.177E-01 RMM: 4 -0.320884168367E+03 0.33737E-03 -0.70609E-04 4713 0.600E-02 0.113E-01 RMM: 5 -0.320884112429E+03 0.55938E-04 -0.11869E-04 3762 0.286E-02 0.864E-02 RMM: 6 -0.320884066319E+03 0.46110E-04 -0.33963E-05 2950 0.178E-02 0.364E-02 RMM: 7 -0.320884065426E+03 0.89287E-06 -0.16283E-05 2501 0.122E-02 8355 T= 5290. E= 0.67578879E+03 F= 0.63538492E+03 E0= 0.66441481E+03 EK= 0.43082E+02 SP= -.27E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320723698090E+03 0.16037E+00 -0.10844E-01 8312 0.218E+01 0.180E-01 RMM: 2 -0.320736757129E+03 -0.13059E-01 -0.95842E-02 5004 0.713E-01 0.844E-01 RMM: 3 -0.320731670107E+03 0.50870E-02 -0.10205E-02 5866 0.202E-01 0.167E-01 RMM: 4 -0.320731372063E+03 0.29804E-03 -0.60562E-04 4806 0.530E-02 0.734E-02 RMM: 5 -0.320731348031E+03 0.24032E-04 -0.78104E-05 3537 0.244E-02 0.673E-02 RMM: 6 -0.320731323339E+03 0.24692E-04 -0.22369E-05 2557 0.144E-02 0.364E-02 RMM: 7 -0.320731325779E+03 -0.24398E-05 -0.18252E-05 2511 0.129E-02 8356 T= 5287. E= 0.67578836E+03 F= 0.63553766E+03 E0= 0.66455930E+03 EK= 0.43053E+02 SP= -.29E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320895048306E+03 -0.16372E+00 -0.10563E-01 8408 0.219E+01 0.166E-01 RMM: 2 -0.320906284940E+03 -0.11237E-01 -0.88556E-02 5067 0.682E-01 0.723E-01 RMM: 3 -0.320902385395E+03 0.38995E-02 -0.91221E-03 5943 0.187E-01 0.147E-01 RMM: 4 -0.320902160962E+03 0.22443E-03 -0.51605E-04 4652 0.509E-02 0.919E-02 RMM: 5 -0.320902123513E+03 0.37449E-04 -0.79701E-05 3525 0.251E-02 0.729E-02 RMM: 6 -0.320902091349E+03 0.32164E-04 -0.25189E-05 2577 0.157E-02 0.320E-02 RMM: 7 -0.320902092502E+03 -0.11529E-05 -0.14203E-05 2490 0.116E-02 8357 T= 5327. E= 0.67578572E+03 F= 0.63536690E+03 E0= 0.66437983E+03 EK= 0.43383E+02 SP= -.31E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321354246733E+03 -0.45216E+00 -0.11178E-01 8144 0.220E+01 0.177E-01 RMM: 2 -0.321366304800E+03 -0.12058E-01 -0.93950E-02 4989 0.714E-01 0.755E-01 RMM: 3 -0.321362110070E+03 0.41947E-02 -0.10183E-02 5857 0.202E-01 0.160E-01 RMM: 4 -0.321361837020E+03 0.27305E-03 -0.57858E-04 4753 0.529E-02 0.813E-02 RMM: 5 -0.321361804984E+03 0.32035E-04 -0.78901E-05 3523 0.254E-02 0.675E-02 RMM: 6 -0.321361778925E+03 0.26060E-04 -0.23247E-05 2556 0.149E-02 0.345E-02 RMM: 7 -0.321361779550E+03 -0.62496E-06 -0.18446E-05 2502 0.131E-02 8358 T= 5408. E= 0.67578135E+03 F= 0.63490721E+03 E0= 0.66391384E+03 EK= 0.44039E+02 SP= -.33E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322045295012E+03 -0.68352E+00 -0.10942E-01 7904 0.223E+01 0.172E-01 RMM: 2 -0.322057603021E+03 -0.12308E-01 -0.89509E-02 4928 0.701E-01 0.810E-01 RMM: 3 -0.322052816325E+03 0.47867E-02 -0.98428E-03 5757 0.203E-01 0.183E-01 RMM: 4 -0.322052535982E+03 0.28034E-03 -0.61207E-04 4665 0.555E-02 0.809E-02 RMM: 5 -0.322052508609E+03 0.27372E-04 -0.88534E-05 3591 0.258E-02 0.741E-02 RMM: 6 -0.322052475774E+03 0.32835E-04 -0.25974E-05 2612 0.160E-02 0.335E-02 RMM: 7 -0.322052477284E+03 -0.15101E-05 -0.14456E-05 2491 0.118E-02 8359 T= 5522. E= 0.67577561E+03 F= 0.63421651E+03 E0= 0.66322155E+03 EK= 0.44964E+02 SP= -.36E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322895062146E+03 -0.84259E+00 -0.10716E-01 7760 0.226E+01 0.183E-01 RMM: 2 -0.322906082282E+03 -0.11020E-01 -0.79855E-02 5168 0.661E-01 0.793E-01 RMM: 3 -0.322901546579E+03 0.45357E-02 -0.83048E-03 5775 0.189E-01 0.181E-01 RMM: 4 -0.322901278783E+03 0.26780E-03 -0.55110E-04 4668 0.518E-02 0.869E-02 RMM: 5 -0.322901246259E+03 0.32524E-04 -0.86590E-05 3598 0.259E-02 0.761E-02 RMM: 6 -0.322901210868E+03 0.35391E-04 -0.26141E-05 2672 0.162E-02 0.348E-02 RMM: 7 -0.322901210326E+03 0.54210E-06 -0.17183E-05 2499 0.126E-02 8360 T= 5659. E= 0.67576924E+03 F= 0.63336778E+03 E0= 0.66237846E+03 EK= 0.46084E+02 SP= -.39E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323819034513E+03 -0.91782E+00 -0.11510E-01 7784 0.229E+01 0.175E-01 RMM: 2 -0.323832788387E+03 -0.13754E-01 -0.10438E-01 4920 0.757E-01 0.812E-01 RMM: 3 -0.323828019219E+03 0.47692E-02 -0.11675E-02 5790 0.209E-01 0.178E-01 RMM: 4 -0.323827698481E+03 0.32074E-03 -0.66229E-04 4688 0.591E-02 0.913E-02 RMM: 5 -0.323827655650E+03 0.42831E-04 -0.10094E-04 3710 0.272E-02 0.716E-02 RMM: 6 -0.323827625260E+03 0.30389E-04 -0.25364E-05 2606 0.157E-02 0.350E-02 RMM: 7 -0.323827625821E+03 -0.56064E-06 -0.15700E-05 2498 0.121E-02 8361 T= 5811. E= 0.67576345E+03 F= 0.63244136E+03 E0= 0.66146575E+03 EK= 0.47318E+02 SP= -.43E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324746875223E+03 -0.91925E+00 -0.11424E-01 7776 0.232E+01 0.175E-01 RMM: 2 -0.324759884678E+03 -0.13009E-01 -0.10189E-01 4932 0.755E-01 0.783E-01 RMM: 3 -0.324755720387E+03 0.41643E-02 -0.11757E-02 5931 0.205E-01 0.171E-01 RMM: 4 -0.324755389537E+03 0.33085E-03 -0.60144E-04 4696 0.574E-02 0.977E-02 RMM: 5 -0.324755334723E+03 0.54814E-04 -0.97290E-05 3642 0.272E-02 0.704E-02 RMM: 6 -0.324755307209E+03 0.27514E-04 -0.26927E-05 2655 0.161E-02 0.370E-02 RMM: 7 -0.324755306009E+03 0.12004E-05 -0.18534E-05 2504 0.132E-02 8362 T= 5966. E= 0.67575856E+03 F= 0.63151368E+03 E0= 0.66055948E+03 EK= 0.48586E+02 SP= -.46E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325610165835E+03 -0.85486E+00 -0.11517E-01 7792 0.234E+01 0.173E-01 RMM: 2 -0.325622253492E+03 -0.12088E-01 -0.93637E-02 5060 0.716E-01 0.776E-01 RMM: 3 -0.325618084764E+03 0.41687E-02 -0.10039E-02 5860 0.194E-01 0.157E-01 RMM: 4 -0.325617842151E+03 0.24261E-03 -0.59055E-04 4644 0.558E-02 0.106E-01 RMM: 5 -0.325617771956E+03 0.70195E-04 -0.96303E-05 3634 0.266E-02 0.679E-02 RMM: 6 -0.325617746485E+03 0.25471E-04 -0.23901E-05 2571 0.151E-02 0.369E-02 RMM: 7 -0.325617745173E+03 0.13113E-05 -0.18327E-05 2505 0.129E-02 8363 T= 6118. E= 0.67575422E+03 F= 0.63065124E+03 E0= 0.65972478E+03 EK= 0.49818E+02 SP= -.51E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326352830440E+03 -0.73508E+00 -0.11737E-01 7832 0.235E+01 0.173E-01 RMM: 2 -0.326365627717E+03 -0.12797E-01 -0.10485E-01 4949 0.756E-01 0.734E-01 RMM: 3 -0.326361884632E+03 0.37431E-02 -0.11824E-02 5992 0.202E-01 0.155E-01 RMM: 4 -0.326361587574E+03 0.29706E-03 -0.58316E-04 4668 0.564E-02 0.113E-01 RMM: 5 -0.326361518306E+03 0.69268E-04 -0.10207E-04 3684 0.277E-02 0.727E-02 RMM: 6 -0.326361488074E+03 0.30232E-04 -0.26948E-05 2668 0.161E-02 0.368E-02 RMM: 7 -0.326361487168E+03 0.90613E-06 -0.18491E-05 2508 0.131E-02 8364 T= 6257. E= 0.67575171E+03 F= 0.62990750E+03 E0= 0.65901192E+03 EK= 0.50956E+02 SP= -.55E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326948728926E+03 -0.58724E+00 -0.11592E-01 7920 0.236E+01 0.189E-01 RMM: 2 -0.326962024855E+03 -0.13296E-01 -0.10046E-01 5071 0.737E-01 0.831E-01 RMM: 3 -0.326957171679E+03 0.48532E-02 -0.10953E-02 5902 0.199E-01 0.162E-01 RMM: 4 -0.326956879969E+03 0.29171E-03 -0.65960E-04 4691 0.580E-02 0.113E-01 RMM: 5 -0.326956816047E+03 0.63922E-04 -0.10977E-04 3755 0.284E-02 0.749E-02 RMM: 6 -0.326956782491E+03 0.33557E-04 -0.25375E-05 2597 0.153E-02 0.382E-02 RMM: 7 -0.326956781954E+03 0.53666E-06 -0.18199E-05 2509 0.130E-02 8365 T= 6381. E= 0.67575082E+03 F= 0.62931221E+03 E0= 0.65844813E+03 EK= 0.51964E+02 SP= -.59E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327386636517E+03 -0.42985E+00 -0.11845E-01 7984 0.237E+01 0.190E-01 RMM: 2 -0.327400472673E+03 -0.13836E-01 -0.10306E-01 5044 0.740E-01 0.867E-01 RMM: 3 -0.327395228811E+03 0.52439E-02 -0.11041E-02 5939 0.201E-01 0.174E-01 RMM: 4 -0.327394898405E+03 0.33041E-03 -0.66691E-04 4743 0.582E-02 0.105E-01 RMM: 5 -0.327394846817E+03 0.51588E-04 -0.10832E-04 3726 0.277E-02 0.733E-02 RMM: 6 -0.327394815573E+03 0.31244E-04 -0.26253E-05 2663 0.159E-02 0.373E-02 RMM: 7 -0.327394817291E+03 -0.17174E-05 -0.16434E-05 2502 0.122E-02 8366 T= 6487. E= 0.67575076E+03 F= 0.62887417E+03 E0= 0.65803855E+03 EK= 0.52827E+02 SP= -.63E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327671285025E+03 -0.27647E+00 -0.12026E-01 8224 0.237E+01 0.197E-01 RMM: 2 -0.327685410146E+03 -0.14125E-01 -0.10343E-01 5061 0.745E-01 0.894E-01 RMM: 3 -0.327679862168E+03 0.55480E-02 -0.11115E-02 5899 0.206E-01 0.183E-01 RMM: 4 -0.327679518849E+03 0.34332E-03 -0.71544E-04 4774 0.586E-02 0.103E-01 RMM: 5 -0.327679475813E+03 0.43036E-04 -0.11470E-04 3788 0.289E-02 0.752E-02 RMM: 6 -0.327679440996E+03 0.34817E-04 -0.28028E-05 2761 0.161E-02 0.384E-02 RMM: 7 -0.327679441743E+03 -0.74716E-06 -0.17043E-05 2506 0.126E-02 8367 T= 6575. E= 0.67575133E+03 F= 0.62858955E+03 E0= 0.65777691E+03 EK= 0.53545E+02 SP= -.68E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327812273469E+03 -0.13283E+00 -0.12423E-01 8184 0.238E+01 0.194E-01 RMM: 2 -0.327827977557E+03 -0.15704E-01 -0.11817E-01 4909 0.799E-01 0.903E-01 RMM: 3 -0.327822336750E+03 0.56408E-02 -0.13216E-02 5951 0.219E-01 0.179E-01 RMM: 4 -0.327821934753E+03 0.40200E-03 -0.73625E-04 4868 0.606E-02 0.938E-02 RMM: 5 -0.327821908539E+03 0.26214E-04 -0.11477E-04 3743 0.290E-02 0.784E-02 RMM: 6 -0.327821871472E+03 0.37067E-04 -0.27538E-05 2657 0.160E-02 0.370E-02 RMM: 7 -0.327821873719E+03 -0.22470E-05 -0.15848E-05 2503 0.123E-02 8368 T= 6646. E= 0.67575169E+03 F= 0.62844712E+03 E0= 0.65764944E+03 EK= 0.54123E+02 SP= -.72E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327819304547E+03 0.25669E-02 -0.12726E-01 8400 0.239E+01 0.190E-01 RMM: 2 -0.327836285629E+03 -0.16981E-01 -0.13258E-01 4878 0.851E-01 0.884E-01 RMM: 3 -0.327830866639E+03 0.54190E-02 -0.15026E-02 6005 0.227E-01 0.193E-01 RMM: 4 -0.327830383861E+03 0.48278E-03 -0.79594E-04 4894 0.640E-02 0.852E-02 RMM: 5 -0.327830363017E+03 0.20843E-04 -0.11997E-04 3791 0.298E-02 0.753E-02 RMM: 6 -0.327830328583E+03 0.34434E-04 -0.29257E-05 2749 0.163E-02 0.373E-02 RMM: 7 -0.327830330009E+03 -0.14264E-05 -0.17465E-05 2503 0.131E-02 8369 T= 6701. E= 0.67575214E+03 F= 0.62843866E+03 E0= 0.65764718E+03 EK= 0.54565E+02 SP= -.76E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327696330806E+03 0.13400E+00 -0.13363E-01 8240 0.240E+01 0.183E-01 RMM: 2 -0.327714028869E+03 -0.17698E-01 -0.14003E-01 4895 0.868E-01 0.870E-01 RMM: 3 -0.327708583065E+03 0.54458E-02 -0.15588E-02 6082 0.227E-01 0.189E-01 RMM: 4 -0.327708082506E+03 0.50056E-03 -0.75930E-04 4889 0.638E-02 0.799E-02 RMM: 5 -0.327708064746E+03 0.17759E-04 -0.11230E-04 3760 0.281E-02 8370 T= 6738. E= 0.67575278E+03 F= 0.62856092E+03 E0= 0.65776664E+03 EK= 0.54872E+02 SP= -.80E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327444332432E+03 0.26375E+00 -0.12982E-01 8400 0.242E+01 0.141E-01 RMM: 2 -0.327458906220E+03 -0.14574E-01 -0.13053E-01 4932 0.829E-01 0.621E-01 RMM: 3 -0.327455948361E+03 0.29579E-02 -0.14236E-02 6324 0.213E-01 0.159E-01 RMM: 4 -0.327455523599E+03 0.42476E-03 -0.51786E-04 4679 0.548E-02 0.819E-02 RMM: 5 -0.327455490017E+03 0.33581E-04 -0.65953E-05 3340 0.243E-02 0.725E-02 RMM: 6 -0.327455478250E+03 0.11767E-04 -0.27068E-05 2571 0.158E-02 8371 T= 6759. E= 0.67575387E+03 F= 0.62881351E+03 E0= 0.65800863E+03 EK= 0.55042E+02 SP= -.84E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327070961388E+03 0.38453E+00 -0.13476E-01 7976 0.243E+01 0.352E-01 RMM: 2 -0.327112676279E+03 -0.41715E-01 -0.15771E-01 4754 0.948E-01 0.205E+00 RMM: 3 -0.327083778803E+03 0.28897E-01 -0.21563E-02 5418 0.336E-01 0.351E-01 RMM: 4 -0.327082896555E+03 0.88225E-03 -0.23670E-03 5316 0.959E-02 0.877E-02 RMM: 5 -0.327082948534E+03 -0.51979E-04 -0.27424E-04 3954 0.362E-02 0.131E-01 RMM: 6 -0.327082838479E+03 0.11006E-03 -0.58515E-05 3320 0.216E-02 0.390E-02 RMM: 7 -0.327082834936E+03 0.35428E-05 -0.16974E-05 2518 0.123E-02 8372 T= 6764. E= 0.67575665E+03 F= 0.62918615E+03 E0= 0.65836433E+03 EK= 0.55083E+02 SP= -.88E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326609456575E+03 0.47338E+00 -0.13613E-01 7984 0.244E+01 0.324E-01 RMM: 2 -0.326648945185E+03 -0.39489E-01 -0.15393E-01 4960 0.917E-01 0.199E+00 RMM: 3 -0.326621896333E+03 0.27049E-01 -0.20265E-02 5432 0.318E-01 0.271E-01 RMM: 4 -0.326621321685E+03 0.57465E-03 -0.20216E-03 5026 0.904E-02 0.122E-01 RMM: 5 -0.326621291481E+03 0.30203E-04 -0.25265E-04 3955 0.371E-02 0.124E-01 RMM: 6 -0.326621190466E+03 0.10102E-03 -0.68193E-05 3427 0.235E-02 0.426E-02 RMM: 7 -0.326621188060E+03 0.24058E-05 -0.19436E-05 2546 0.132E-02 8373 T= 6757. E= 0.67576085E+03 F= 0.62964780E+03 E0= 0.65880463E+03 EK= 0.55026E+02 SP= -.92E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326108486766E+03 0.51270E+00 -0.14215E-01 7712 0.244E+01 0.233E-01 RMM: 2 -0.326133565115E+03 -0.25078E-01 -0.15657E-01 4960 0.900E-01 0.127E+00 RMM: 3 -0.326122014300E+03 0.11551E-01 -0.17863E-02 5639 0.263E-01 0.243E-01 RMM: 4 -0.326121441272E+03 0.57303E-03 -0.12364E-03 4919 0.742E-02 0.926E-02 RMM: 5 -0.326121419982E+03 0.21290E-04 -0.17129E-04 3976 0.321E-02 0.869E-02 RMM: 6 -0.326121371066E+03 0.48916E-04 -0.33773E-05 2917 0.170E-02 0.421E-02 RMM: 7 -0.326121374820E+03 -0.37538E-05 -0.19610E-05 2516 0.141E-02 8374 T= 6744. E= 0.67576566E+03 F= 0.63014761E+03 E0= 0.65928159E+03 EK= 0.54921E+02 SP= -.96E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325637375045E+03 0.48400E+00 -0.13746E-01 8008 0.244E+01 0.255E-01 RMM: 2 -0.325660487174E+03 -0.23112E-01 -0.14869E-01 4889 0.907E-01 0.123E+00 RMM: 3 -0.325649997366E+03 0.10490E-01 -0.18056E-02 5732 0.266E-01 0.221E-01 RMM: 4 -0.325649538465E+03 0.45890E-03 -0.12622E-03 4907 0.758E-02 0.118E-01 RMM: 5 -0.325649469400E+03 0.69065E-04 -0.17461E-04 4196 0.305E-02 0.911E-02 RMM: 6 -0.325649417831E+03 0.51569E-04 -0.34205E-05 2887 0.176E-02 0.373E-02 RMM: 7 -0.325649416943E+03 0.88768E-06 -0.17635E-05 2506 0.132E-02 8375 T= 6734. E= 0.67577055E+03 F= 0.63061957E+03 E0= 0.65972965E+03 EK= 0.54834E+02 SP= -.99E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325259713125E+03 0.38970E+00 -0.13731E-01 7888 0.243E+01 0.216E-01 RMM: 2 -0.325278833163E+03 -0.19120E-01 -0.12876E-01 5108 0.813E-01 0.106E+00 RMM: 3 -0.325270536843E+03 0.82963E-02 -0.13551E-02 5712 0.229E-01 0.209E-01 RMM: 4 -0.325270121297E+03 0.41555E-03 -0.91814E-04 4802 0.659E-02 0.108E-01 RMM: 5 -0.325270068424E+03 0.52873E-04 -0.13655E-04 3880 0.296E-02 0.868E-02 RMM: 6 -0.325270021554E+03 0.46870E-04 -0.32794E-05 2863 0.174E-02 0.424E-02 RMM: 7 -0.325270025007E+03 -0.34535E-05 -0.20992E-05 2522 0.138E-02 8376 T= 6733. E= 0.67577410E+03 F= 0.63099896E+03 E0= 0.66008520E+03 EK= 0.54828E+02 SP= -.10E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325013904940E+03 0.25612E+00 -0.14013E-01 7976 0.243E+01 0.243E-01 RMM: 2 -0.325032986173E+03 -0.19081E-01 -0.12065E-01 4960 0.817E-01 0.116E+00 RMM: 3 -0.325023796557E+03 0.91896E-02 -0.14054E-02 5678 0.246E-01 0.212E-01 RMM: 4 -0.325023432201E+03 0.36436E-03 -0.10481E-03 4864 0.675E-02 0.106E-01 RMM: 5 -0.325023394672E+03 0.37529E-04 -0.14491E-04 3865 0.306E-02 0.934E-02 RMM: 6 -0.325023341412E+03 0.53259E-04 -0.39678E-05 3035 0.187E-02 0.355E-02 RMM: 7 -0.325023344143E+03 -0.27307E-05 -0.17797E-05 2514 0.134E-02 8377 T= 6747. E= 0.67577495E+03 F= 0.63124565E+03 E0= 0.66030865E+03 EK= 0.54943E+02 SP= -.11E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324902895207E+03 0.12045E+00 -0.13060E-01 7944 0.242E+01 0.210E-01 RMM: 2 -0.324918613815E+03 -0.15719E-01 -0.99663E-02 5073 0.724E-01 0.103E+00 RMM: 3 -0.324911094109E+03 0.75197E-02 -0.10372E-02 5640 0.213E-01 0.211E-01 RMM: 4 -0.324910756241E+03 0.33787E-03 -0.86542E-04 4675 0.645E-02 0.117E-01 RMM: 5 -0.324910695004E+03 0.61237E-04 -0.14205E-04 3838 0.306E-02 0.908E-02 RMM: 6 -0.324910641117E+03 0.53887E-04 -0.36532E-05 2954 0.185E-02 0.391E-02 RMM: 7 -0.324910644420E+03 -0.33030E-05 -0.22635E-05 2543 0.142E-02 8378 T= 6776. E= 0.67577275E+03 F= 0.63135834E+03 E0= 0.66039837E+03 EK= 0.55181E+02 SP= -.11E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324884861834E+03 0.25779E-01 -0.12719E-01 8056 0.242E+01 0.233E-01 RMM: 2 -0.324902050214E+03 -0.17188E-01 -0.10310E-01 4980 0.762E-01 0.114E+00 RMM: 3 -0.324893235007E+03 0.88152E-02 -0.12105E-02 5628 0.233E-01 0.222E-01 RMM: 4 -0.324892847977E+03 0.38703E-03 -0.96232E-04 4792 0.646E-02 0.918E-02 RMM: 5 -0.324892825615E+03 0.22361E-04 -0.13931E-04 3850 0.308E-02 0.897E-02 RMM: 6 -0.324892776460E+03 0.49156E-04 -0.37452E-05 2989 0.182E-02 0.375E-02 RMM: 7 -0.324892780286E+03 -0.38264E-05 -0.19679E-05 2524 0.139E-02 8379 T= 6816. E= 0.67576857E+03 F= 0.63137621E+03 E0= 0.66039465E+03 EK= 0.55502E+02 SP= -.11E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324893602024E+03 -0.82556E-03 -0.11973E-01 8104 0.243E+01 0.198E-01 RMM: 2 -0.324908764374E+03 -0.15162E-01 -0.92881E-02 5065 0.703E-01 0.104E+00 RMM: 3 -0.324901165955E+03 0.75984E-02 -0.97431E-03 5673 0.205E-01 0.180E-01 RMM: 4 -0.324900925047E+03 0.24091E-03 -0.76425E-04 4669 0.602E-02 0.114E-01 RMM: 5 -0.324900851431E+03 0.73617E-04 -0.12376E-04 3788 0.293E-02 0.754E-02 RMM: 6 -0.324900818085E+03 0.33345E-04 -0.29783E-05 2725 0.166E-02 0.414E-02 RMM: 7 -0.324900821861E+03 -0.37753E-05 -0.22358E-05 2541 0.141E-02 8380 T= 6857. E= 0.67576404E+03 F= 0.63136817E+03 E0= 0.66036726E+03 EK= 0.55838E+02 SP= -.12E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324849285145E+03 0.51533E-01 -0.12220E-01 8376 0.243E+01 0.235E-01 RMM: 2 -0.324865754548E+03 -0.16469E-01 -0.92764E-02 5002 0.719E-01 0.114E+00 RMM: 3 -0.324856762644E+03 0.89919E-02 -0.10973E-02 5541 0.227E-01 0.232E-01 RMM: 4 -0.324856366369E+03 0.39628E-03 -0.94856E-04 4764 0.634E-02 0.899E-02 RMM: 5 -0.324856344471E+03 0.21897E-04 -0.13514E-04 3840 0.305E-02 0.889E-02 RMM: 6 -0.324856295805E+03 0.48666E-04 -0.34900E-05 2936 0.176E-02 0.408E-02 RMM: 7 -0.324856301156E+03 -0.53505E-05 -0.22784E-05 2545 0.148E-02 8381 T= 6890. E= 0.67576002E+03 F= 0.63141269E+03 E0= 0.66039751E+03 EK= 0.56110E+02 SP= -.12E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324686015417E+03 0.17028E+00 -0.12168E-01 8064 0.243E+01 0.208E-01 RMM: 2 -0.324702412563E+03 -0.16397E-01 -0.94577E-02 4982 0.714E-01 0.111E+00 RMM: 3 -0.324693706089E+03 0.87065E-02 -0.10514E-02 5607 0.216E-01 0.197E-01 RMM: 4 -0.324693411930E+03 0.29416E-03 -0.84933E-04 4686 0.622E-02 0.984E-02 RMM: 5 -0.324693366099E+03 0.45830E-04 -0.12242E-04 3787 0.291E-02 0.773E-02 RMM: 6 -0.324693330936E+03 0.35163E-04 -0.29268E-05 2730 0.163E-02 0.430E-02 RMM: 7 -0.324693334915E+03 -0.39791E-05 -0.20036E-05 2530 0.138E-02 8382 T= 6907. E= 0.67575793E+03 F= 0.63157565E+03 E0= 0.66055299E+03 EK= 0.56250E+02 SP= -.12E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324368656719E+03 0.32467E+00 -0.11823E-01 7832 0.243E+01 0.215E-01 RMM: 2 -0.324384159956E+03 -0.15503E-01 -0.93439E-02 5043 0.706E-01 0.106E+00 RMM: 3 -0.324376196981E+03 0.79630E-02 -0.10482E-02 5545 0.218E-01 0.200E-01 RMM: 4 -0.324375901251E+03 0.29573E-03 -0.84309E-04 4865 0.586E-02 0.879E-02 RMM: 5 -0.324375869084E+03 0.32166E-04 -0.10600E-04 3749 0.281E-02 0.792E-02 RMM: 6 -0.324375831819E+03 0.37266E-04 -0.28298E-05 2751 0.160E-02 0.417E-02 RMM: 7 -0.324375838348E+03 -0.65294E-05 -0.24032E-05 2561 0.149E-02 8383 T= 6904. E= 0.67575886E+03 F= 0.63189315E+03 E0= 0.66087267E+03 EK= 0.56222E+02 SP= -.12E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323894980588E+03 0.48085E+00 -0.11845E-01 7672 0.243E+01 0.202E-01 RMM: 2 -0.323911279427E+03 -0.16299E-01 -0.11164E-01 4951 0.776E-01 0.996E-01 RMM: 3 -0.323904388764E+03 0.68907E-02 -0.12820E-02 5721 0.223E-01 0.198E-01 RMM: 4 -0.323904017283E+03 0.37148E-03 -0.85640E-04 4808 0.627E-02 0.868E-02 RMM: 5 -0.323903993473E+03 0.23809E-04 -0.12594E-04 3813 0.293E-02 0.831E-02 RMM: 6 -0.323903951440E+03 0.42033E-04 -0.32167E-05 2876 0.170E-02 0.414E-02 RMM: 7 -0.323903954788E+03 -0.33476E-05 -0.18668E-05 2515 0.134E-02 8384 T= 6880. E= 0.67576149E+03 F= 0.63236503E+03 E0= 0.66135683E+03 EK= 0.56025E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323295211863E+03 0.60874E+00 -0.12419E-01 7912 0.242E+01 0.209E-01 RMM: 2 -0.323313414906E+03 -0.18203E-01 -0.11808E-01 5012 0.787E-01 0.107E+00 RMM: 3 -0.323305226377E+03 0.81885E-02 -0.13111E-02 5614 0.226E-01 0.210E-01 RMM: 4 -0.323304827098E+03 0.39928E-03 -0.91234E-04 4865 0.639E-02 0.857E-02 RMM: 5 -0.323304802913E+03 0.24185E-04 -0.12646E-04 3867 0.285E-02 0.804E-02 RMM: 6 -0.323304763753E+03 0.39160E-04 -0.29811E-05 2807 0.163E-02 0.413E-02 RMM: 7 -0.323304770227E+03 -0.64735E-05 -0.20611E-05 2523 0.139E-02 8385 T= 6838. E= 0.67576588E+03 F= 0.63296422E+03 E0= 0.66197906E+03 EK= 0.55686E+02 SP= -.13E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322619397526E+03 0.68537E+00 -0.12541E-01 7696 0.242E+01 0.228E-01 RMM: 2 -0.322637620781E+03 -0.18223E-01 -0.11449E-01 4924 0.794E-01 0.113E+00 RMM: 3 -0.322628790414E+03 0.88304E-02 -0.13110E-02 5583 0.241E-01 0.222E-01 RMM: 4 -0.322628403865E+03 0.38655E-03 -0.10260E-03 4828 0.669E-02 0.880E-02 RMM: 5 -0.322628395974E+03 0.78913E-05 -0.14979E-04 3860 0.319E-02 8386 T= 6785. E= 0.67577139E+03 F= 0.63364059E+03 E0= 0.66268784E+03 EK= 0.55255E+02 SP= -.13E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321927467077E+03 0.70094E+00 -0.12294E-01 7816 0.241E+01 0.152E-01 RMM: 2 -0.321940605005E+03 -0.13138E-01 -0.10607E-01 5189 0.722E-01 0.718E-01 RMM: 3 -0.321936439074E+03 0.41659E-02 -0.98846E-03 5693 0.195E-01 0.180E-01 RMM: 4 -0.321936161707E+03 0.27737E-03 -0.60825E-04 4659 0.518E-02 0.918E-02 RMM: 5 -0.321936111260E+03 0.50447E-04 -0.77471E-05 3586 0.243E-02 0.771E-02 RMM: 6 -0.321936093212E+03 0.18047E-04 -0.31383E-05 2654 0.167E-02 8387 T= 6729. E= 0.67577738E+03 F= 0.63433290E+03 E0= 0.66342071E+03 EK= 0.54795E+02 SP= -.13E+02 SK= 0.92E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321282431506E+03 0.65368E+00 -0.12894E-01 7656 0.241E+01 0.370E-01 RMM: 2 -0.321326252030E+03 -0.43821E-01 -0.13225E-01 4860 0.861E-01 0.223E+00 RMM: 3 -0.321292555137E+03 0.33697E-01 -0.19694E-02 5380 0.332E-01 0.355E-01 RMM: 4 -0.321291669279E+03 0.88586E-03 -0.23059E-03 5133 0.963E-02 0.103E-01 RMM: 5 -0.321291696384E+03 -0.27104E-04 -0.28854E-04 3920 0.372E-02 0.130E-01 RMM: 6 -0.321291597442E+03 0.98941E-04 -0.64498E-05 3371 0.227E-02 0.516E-02 RMM: 7 -0.321291587450E+03 0.99927E-05 -0.18614E-05 2521 0.130E-02 8388 T= 6677. E= 0.67578237E+03 F= 0.63497740E+03 E0= 0.66411049E+03 EK= 0.54372E+02 SP= -.14E+02 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320742958463E+03 0.54864E+00 -0.13579E-01 7864 0.241E+01 0.411E-01 RMM: 2 -0.320796343908E+03 -0.53385E-01 -0.14437E-01 4931 0.897E-01 0.250E+00 RMM: 3 -0.320754170217E+03 0.42174E-01 -0.23357E-02 5383 0.362E-01 0.415E-01 RMM: 4 -0.320752976051E+03 0.11942E-02 -0.28260E-03 5237 0.109E-01 0.131E-01 RMM: 5 -0.320752972746E+03 0.33050E-05 -0.36439E-04 3922 0.421E-02 0.142E-01 RMM: 6 -0.320752839670E+03 0.13308E-03 -0.83826E-05 3565 0.255E-02 0.548E-02 RMM: 7 -0.320752827220E+03 0.12450E-04 -0.21843E-05 2561 0.135E-02 8389 T= 6637. E= 0.67578653E+03 F= 0.63551616E+03 E0= 0.66469585E+03 EK= 0.54045E+02 SP= -.14E+02 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320356437601E+03 0.39640E+00 -0.13905E-01 8112 0.241E+01 0.283E-01 RMM: 2 -0.320383988854E+03 -0.27551E-01 -0.13570E-01 4993 0.828E-01 0.154E+00 RMM: 3 -0.320367475271E+03 0.16514E-01 -0.16324E-02 5441 0.280E-01 0.287E-01 RMM: 4 -0.320366885411E+03 0.58986E-03 -0.16177E-03 5096 0.774E-02 0.948E-02 RMM: 5 -0.320366845728E+03 0.39683E-04 -0.18480E-04 3923 0.346E-02 0.869E-02 RMM: 6 -0.320366799572E+03 0.46157E-04 -0.37170E-05 2982 0.178E-02 0.475E-02 RMM: 7 -0.320366800656E+03 -0.10847E-05 -0.17467E-05 2516 0.132E-02 8390 T= 6614. E= 0.67578920E+03 F= 0.63590219E+03 E0= 0.66512633E+03 EK= 0.53863E+02 SP= -.14E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320154643183E+03 0.21216E+00 -0.14024E-01 8240 0.241E+01 0.255E-01 RMM: 2 -0.320177117310E+03 -0.22474E-01 -0.13633E-01 5007 0.827E-01 0.127E+00 RMM: 3 -0.320165928475E+03 0.11189E-01 -0.15536E-02 5605 0.259E-01 0.251E-01 RMM: 4 -0.320165423861E+03 0.50461E-03 -0.12802E-03 4835 0.739E-02 0.109E-01 RMM: 5 -0.320165381040E+03 0.42821E-04 -0.18112E-04 3914 0.334E-02 0.909E-02 RMM: 6 -0.320165326953E+03 0.54087E-04 -0.38026E-05 3001 0.183E-02 0.441E-02 RMM: 7 -0.320165326221E+03 0.73192E-06 -0.16568E-05 2514 0.129E-02 8391 T= 6614. E= 0.67579025E+03 F= 0.63610366E+03 E0= 0.66536665E+03 EK= 0.53859E+02 SP= -.14E+02 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320148660510E+03 0.16666E-01 -0.14565E-01 8392 0.241E+01 0.219E-01 RMM: 2 -0.320168875905E+03 -0.20215E-01 -0.13651E-01 5087 0.807E-01 0.110E+00 RMM: 3 -0.320159986330E+03 0.88896E-02 -0.14168E-02 5673 0.243E-01 0.228E-01 RMM: 4 -0.320159556707E+03 0.42962E-03 -0.10499E-03 4934 0.667E-02 0.968E-02 RMM: 5 -0.320159509570E+03 0.47137E-04 -0.13941E-04 3841 0.301E-02 0.822E-02 RMM: 6 -0.320159471403E+03 0.38167E-04 -0.30932E-05 2827 0.165E-02 0.509E-02 RMM: 7 -0.320159473598E+03 -0.21952E-05 -0.22970E-05 2577 0.144E-02 8392 T= 6637. E= 0.67578936E+03 F= 0.63610952E+03 E0= 0.66540332E+03 EK= 0.54044E+02 SP= -.14E+02 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320324360084E+03 -0.16489E+00 -0.14809E-01 8696 0.242E+01 0.232E-01 RMM: 2 -0.320345924685E+03 -0.21565E-01 -0.13732E-01 5138 0.799E-01 0.118E+00 RMM: 3 -0.320335706761E+03 0.10218E-01 -0.14111E-02 5649 0.244E-01 0.255E-01 RMM: 4 -0.320335205061E+03 0.50170E-03 -0.11484E-03 4784 0.713E-02 0.104E-01 RMM: 5 -0.320335167786E+03 0.37274E-04 -0.17169E-04 3872 0.324E-02 0.922E-02 RMM: 6 -0.320335115376E+03 0.52410E-04 -0.39447E-05 3029 0.186E-02 0.445E-02 RMM: 7 -0.320335116981E+03 -0.16051E-05 -0.18398E-05 2529 0.133E-02 8393 T= 6681. E= 0.67578696E+03 F= 0.63593387E+03 E0= 0.66524902E+03 EK= 0.54405E+02 SP= -.15E+02 SK= 0.65E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320644656481E+03 -0.30954E+00 -0.15084E-01 8544 0.243E+01 0.222E-01 RMM: 2 -0.320665662264E+03 -0.21006E-01 -0.15685E-01 5038 0.854E-01 0.101E+00 RMM: 3 -0.320657737684E+03 0.79246E-02 -0.16003E-02 5799 0.254E-01 0.238E-01 RMM: 4 -0.320657226029E+03 0.51165E-03 -0.10748E-03 5025 0.687E-02 0.995E-02 RMM: 5 -0.320657182007E+03 0.44022E-04 -0.15070E-04 3855 0.317E-02 0.901E-02 RMM: 6 -0.320657132726E+03 0.49282E-04 -0.34254E-05 2872 0.171E-02 0.502E-02 RMM: 7 -0.320657131144E+03 0.15812E-05 -0.23574E-05 2569 0.149E-02 8394 T= 6742. E= 0.67578261E+03 F= 0.63561186E+03 E0= 0.66493875E+03 EK= 0.54905E+02 SP= -.15E+02 SK= 0.59E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321059322221E+03 -0.40219E+00 -0.16021E-01 8656 0.245E+01 0.216E-01 RMM: 2 -0.321083189207E+03 -0.23867E-01 -0.16425E-01 5111 0.869E-01 0.115E+00 RMM: 3 -0.321073262182E+03 0.99270E-02 -0.15851E-02 5709 0.250E-01 0.241E-01 RMM: 4 -0.321072733399E+03 0.52878E-03 -0.11120E-03 4849 0.704E-02 0.991E-02 RMM: 5 -0.321072690081E+03 0.43318E-04 -0.15743E-04 3892 0.315E-02 0.827E-02 RMM: 6 -0.321072648796E+03 0.41286E-04 -0.32984E-05 2832 0.169E-02 0.494E-02 RMM: 7 -0.321072650009E+03 -0.12129E-05 -0.20875E-05 2540 0.142E-02 8395 T= 6814. E= 0.67577771E+03 F= 0.63519634E+03 E0= 0.66452718E+03 EK= 0.55490E+02 SP= -.15E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321511239380E+03 -0.43859E+00 -0.16426E-01 8496 0.246E+01 0.243E-01 RMM: 2 -0.321535539070E+03 -0.24300E-01 -0.18174E-01 5028 0.915E-01 0.108E+00 RMM: 3 -0.321526319091E+03 0.92200E-02 -0.17473E-02 5761 0.268E-01 0.274E-01 RMM: 4 -0.321525664826E+03 0.65427E-03 -0.12634E-03 4959 0.747E-02 0.997E-02 RMM: 5 -0.321525630505E+03 0.34321E-04 -0.17584E-04 3915 0.332E-02 0.990E-02 RMM: 6 -0.321525570583E+03 0.59922E-04 -0.38437E-05 2986 0.184E-02 0.480E-02 RMM: 7 -0.321525570314E+03 0.26869E-06 -0.19393E-05 2526 0.138E-02 8396 T= 6889. E= 0.67577317E+03 F= 0.63474342E+03 E0= 0.66407221E+03 EK= 0.56102E+02 SP= -.15E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321953701980E+03 -0.42813E+00 -0.16552E-01 8808 0.248E+01 0.267E-01 RMM: 2 -0.321984829666E+03 -0.31128E-01 -0.16803E-01 5310 0.863E-01 0.155E+00 RMM: 3 -0.321967272829E+03 0.17557E-01 -0.14743E-02 5521 0.259E-01 0.260E-01 RMM: 4 -0.321966746107E+03 0.52672E-03 -0.13637E-03 4872 0.752E-02 0.106E-01 RMM: 5 -0.321966699122E+03 0.46985E-04 -0.17050E-04 3914 0.324E-02 0.912E-02 RMM: 6 -0.321966651316E+03 0.47806E-04 -0.37833E-05 2982 0.182E-02 0.540E-02 RMM: 7 -0.321966653220E+03 -0.19038E-05 -0.21278E-05 2540 0.142E-02 8397 T= 6961. E= 0.67577016E+03 F= 0.63430234E+03 E0= 0.66362528E+03 EK= 0.56690E+02 SP= -.15E+02 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322350935798E+03 -0.38428E+00 -0.16364E-01 8576 0.249E+01 0.287E-01 RMM: 2 -0.322379107828E+03 -0.28172E-01 -0.17961E-01 5144 0.910E-01 0.135E+00 RMM: 3 -0.322365616385E+03 0.13491E-01 -0.17718E-02 5510 0.287E-01 0.305E-01 RMM: 4 -0.322364929740E+03 0.68665E-03 -0.16344E-03 5048 0.810E-02 0.105E-01 RMM: 5 -0.322364906668E+03 0.23072E-04 -0.21141E-04 3915 0.359E-02 0.119E-01 RMM: 6 -0.322364818193E+03 0.88475E-04 -0.54261E-05 3233 0.215E-02 0.459E-02 RMM: 7 -0.322364818179E+03 0.14419E-07 -0.20882E-05 2534 0.140E-02 8398 T= 7026. E= 0.67576845E+03 F= 0.63390417E+03 E0= 0.66321904E+03 EK= 0.57218E+02 SP= -.15E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322693888560E+03 -0.32907E+00 -0.16196E-01 8752 0.250E+01 0.253E-01 RMM: 2 -0.322720821682E+03 -0.26933E-01 -0.15710E-01 5433 0.822E-01 0.139E+00 RMM: 3 -0.322706332743E+03 0.14489E-01 -0.12599E-02 5524 0.241E-01 0.250E-01 RMM: 4 -0.322705879748E+03 0.45299E-03 -0.12390E-03 4767 0.729E-02 0.118E-01 RMM: 5 -0.322705823976E+03 0.55772E-04 -0.16683E-04 3888 0.323E-02 0.960E-02 RMM: 6 -0.322705768127E+03 0.55850E-04 -0.41155E-05 3058 0.192E-02 0.497E-02 RMM: 7 -0.322705770499E+03 -0.23725E-05 -0.19805E-05 2533 0.134E-02 8399 T= 7082. E= 0.67576718E+03 F= 0.63356322E+03 E0= 0.66286830E+03 EK= 0.57669E+02 SP= -.15E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322967812524E+03 -0.26204E+00 -0.16230E-01 8584 0.251E+01 0.271E-01 RMM: 2 -0.322994255583E+03 -0.26443E-01 -0.15632E-01 5299 0.839E-01 0.138E+00 RMM: 3 -0.322980379258E+03 0.13876E-01 -0.14045E-02 5555 0.254E-01 0.294E-01 RMM: 4 -0.322979740317E+03 0.63894E-03 -0.14004E-03 4787 0.790E-02 0.101E-01 RMM: 5 -0.322979717057E+03 0.23259E-04 -0.19360E-04 3939 0.327E-02 0.107E-01 RMM: 6 -0.322979648323E+03 0.68735E-04 -0.44887E-05 3108 0.200E-02 0.437E-02 RMM: 7 -0.322979649700E+03 -0.13771E-05 -0.17143E-05 2517 0.126E-02 8400 T= 7126. E= 0.67576564E+03 F= 0.63328934E+03 E0= 0.66258282E+03 EK= 0.58029E+02 SP= -.16E+02 SK= 0.94E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323159281243E+03 -0.17963E+00 -0.16123E-01 8648 0.251E+01 0.223E-01 RMM: 2 -0.323181205172E+03 -0.21924E-01 -0.14391E-01 5490 0.780E-01 0.116E+00 RMM: 3 -0.323170702272E+03 0.10503E-01 -0.10551E-02 5666 0.215E-01 0.205E-01 RMM: 4 -0.323170399848E+03 0.30242E-03 -0.95337E-04 4753 0.643E-02 0.121E-01 RMM: 5 -0.323170324730E+03 0.75117E-04 -0.13024E-04 3829 0.286E-02 0.872E-02 RMM: 6 -0.323170283043E+03 0.41687E-04 -0.31813E-05 2874 0.173E-02 0.493E-02 RMM: 7 -0.323170288178E+03 -0.51343E-05 -0.24271E-05 2579 0.141E-02 8401 T= 7157. E= 0.67576366E+03 F= 0.63309870E+03 E0= 0.66237725E+03 EK= 0.58280E+02 SP= -.16E+02 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.323241917007E+03 -0.71634E-01 -0.15816E-01 8584 0.252E+01 0.240E-01 RMM: 2 -0.323265090881E+03 -0.23174E-01 -0.15131E-01 5262 0.821E-01 0.121E+00 RMM: 3 -0.323254260760E+03 0.10830E-01 -0.13239E-02 5629 0.239E-01 0.253E-01 RMM: 4 -0.323253781959E+03 0.47880E-03 -0.11755E-03 4769 0.723E-02 0.111E-01 RMM: 5 -0.323253733378E+03 0.48581E-04 -0.16444E-04 3913 0.310E-02 0.981E-02 RMM: 6 -0.323253679194E+03 0.54184E-04 -0.41370E-05 3065 0.194E-02 0.471E-02 RMM: 7 -0.323253686091E+03 -0.68966E-05 -0.21927E-05 2561 0.139E-02 8402 T= 7171. E= 0.67576248E+03 F= 0.63301530E+03 E0= 0.66227467E+03 EK= 0.58397E+02 SP= -.16E+02 SK= 0.68E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323196348150E+03 0.57331E-01 -0.16399E-01 8664 0.252E+01 0.203E-01 RMM: 2 -0.323216668241E+03 -0.20320E-01 -0.15258E-01 5429 0.807E-01 0.983E-01 RMM: 3 -0.323208944964E+03 0.77233E-02 -0.12465E-02 5823 0.218E-01 0.190E-01 RMM: 4 -0.323208629758E+03 0.31521E-03 -0.86137E-04 4783 0.620E-02 0.121E-01 RMM: 5 -0.323208545144E+03 0.84614E-04 -0.11686E-04 3799 0.267E-02 0.810E-02 RMM: 6 -0.323208517802E+03 0.27342E-04 -0.25356E-05 2609 0.154E-02 0.566E-02 RMM: 7 -0.323208523458E+03 -0.56556E-05 -0.29822E-05 2690 0.154E-02 8403 T= 7166. E= 0.67576178E+03 F= 0.63306047E+03 E0= 0.66229392E+03 EK= 0.58357E+02 SP= -.16E+02 SK= 0.10E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.323008628737E+03 0.19989E+00 -0.17135E-01 8816 0.252E+01 0.201E-01 RMM: 2 -0.323028955870E+03 -0.20327E-01 -0.15608E-01 5352 0.820E-01 0.952E-01 RMM: 3 -0.323021685355E+03 0.72705E-02 -0.12675E-02 5700 0.227E-01 0.199E-01 RMM: 4 -0.323021374326E+03 0.31103E-03 -0.93558E-04 4804 0.644E-02 0.116E-01 RMM: 5 -0.323021307856E+03 0.66470E-04 -0.12940E-04 3890 0.276E-02 0.849E-02 RMM: 6 -0.323021273705E+03 0.34152E-04 -0.28696E-05 2767 0.165E-02 0.532E-02 RMM: 7 -0.323021281531E+03 -0.78265E-05 -0.22285E-05 2575 0.140E-02 8404 T= 7140. E= 0.67576126E+03 F= 0.63324771E+03 E0= 0.66244886E+03 EK= 0.58147E+02 SP= -.16E+02 SK= 0.21E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322677976492E+03 0.34330E+00 -0.17459E-01 8872 0.251E+01 0.178E-01 RMM: 2 -0.322696221565E+03 -0.18245E-01 -0.15145E-01 5573 0.785E-01 0.797E-01 RMM: 3 -0.322690455764E+03 0.57658E-02 -0.10367E-02 5704 0.209E-01 0.177E-01 RMM: 4 -0.322690235632E+03 0.22013E-03 -0.79933E-04 4875 0.572E-02 0.105E-01 RMM: 5 -0.322690170647E+03 0.64985E-04 -0.95203E-05 3661 0.243E-02 0.765E-02 RMM: 6 -0.322690149535E+03 0.21112E-04 -0.24271E-05 2580 0.152E-02 0.566E-02 RMM: 7 -0.322690157781E+03 -0.82465E-05 -0.26787E-05 2626 0.149E-02 8405 T= 7094. E= 0.67576139E+03 F= 0.63357883E+03 E0= 0.66274057E+03 EK= 0.57767E+02 SP= -.16E+02 SK= 0.63E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322207845139E+03 0.48230E+00 -0.18196E-01 8888 0.249E+01 0.165E-01 RMM: 2 -0.322226490777E+03 -0.18646E-01 -0.16290E-01 5490 0.826E-01 0.710E-01 RMM: 3 -0.322221591995E+03 0.48988E-02 -0.11241E-02 5694 0.217E-01 0.167E-01 RMM: 4 -0.322221366028E+03 0.22597E-03 -0.75929E-04 4893 0.569E-02 0.104E-01 RMM: 5 -0.322221304126E+03 0.61902E-04 -0.89682E-05 3605 0.259E-02 0.718E-02 RMM: 6 -0.322221282002E+03 0.22124E-04 -0.25674E-05 2596 0.156E-02 0.503E-02 RMM: 7 -0.322221290408E+03 -0.84063E-05 -0.28542E-05 2631 0.157E-02 8406 T= 7027. E= 0.67576116E+03 F= 0.63404770E+03 E0= 0.66316510E+03 EK= 0.57225E+02 SP= -.16E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321607361516E+03 0.61392E+00 -0.18425E-01 8920 0.248E+01 0.168E-01 RMM: 2 -0.321625337091E+03 -0.17976E-01 -0.15778E-01 5559 0.813E-01 0.706E-01 RMM: 3 -0.321620600029E+03 0.47371E-02 -0.10366E-02 5833 0.208E-01 0.163E-01 RMM: 4 -0.321620371814E+03 0.22822E-03 -0.67693E-04 4839 0.546E-02 0.970E-02 RMM: 5 -0.321620321631E+03 0.50183E-04 -0.84802E-05 3606 0.244E-02 0.756E-02 RMM: 6 -0.321620296369E+03 0.25262E-04 -0.26180E-05 2589 0.159E-02 0.480E-02 RMM: 7 -0.321620301717E+03 -0.53481E-05 -0.23362E-05 2567 0.142E-02 8407 T= 6942. E= 0.67576096E+03 F= 0.63464869E+03 E0= 0.66371698E+03 EK= 0.56530E+02 SP= -.15E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320880349504E+03 0.73995E+00 -0.17750E-01 9024 0.247E+01 0.161E-01 RMM: 2 -0.320897613549E+03 -0.17264E-01 -0.15247E-01 5651 0.793E-01 0.680E-01 RMM: 3 -0.320893070391E+03 0.45432E-02 -0.93314E-03 5773 0.199E-01 0.149E-01 RMM: 4 -0.320892898438E+03 0.17195E-03 -0.63532E-04 4825 0.514E-02 0.993E-02 RMM: 5 -0.320892838012E+03 0.60426E-04 -0.76383E-05 3478 0.240E-02 0.672E-02 RMM: 6 -0.320892818251E+03 0.19762E-04 -0.23904E-05 2566 0.151E-02 8408 T= 6839. E= 0.67576157E+03 F= 0.63537617E+03 E0= 0.66439309E+03 EK= 0.55693E+02 SP= -.15E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320037405564E+03 0.85543E+00 -0.17099E-01 8872 0.245E+01 0.226E-01 RMM: 2 -0.320060338558E+03 -0.22933E-01 -0.15004E-01 5525 0.802E-01 0.118E+00 RMM: 3 -0.320049692606E+03 0.10646E-01 -0.11169E-02 5646 0.226E-01 0.244E-01 RMM: 4 -0.320049235300E+03 0.45731E-03 -0.98272E-04 4842 0.645E-02 0.903E-02 RMM: 5 -0.320049193642E+03 0.41659E-04 -0.11522E-04 4024 0.254E-02 0.788E-02 RMM: 6 -0.320049174338E+03 0.19303E-04 -0.22911E-05 2567 0.143E-02 8409 T= 6721. E= 0.67576322E+03 F= 0.63621981E+03 E0= 0.66518287E+03 EK= 0.54729E+02 SP= -.15E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319105662868E+03 0.94353E+00 -0.16280E-01 8776 0.244E+01 0.362E-01 RMM: 2 -0.319150208213E+03 -0.44545E-01 -0.15063E-01 5392 0.847E-01 0.217E+00 RMM: 3 -0.319117186183E+03 0.33022E-01 -0.17666E-02 5378 0.313E-01 0.349E-01 RMM: 4 -0.319116286102E+03 0.90008E-03 -0.21478E-03 4906 0.938E-02 0.110E-01 RMM: 5 -0.319116238234E+03 0.47868E-04 -0.24799E-04 4441 0.326E-02 0.995E-02 RMM: 6 -0.319116187134E+03 0.51100E-04 -0.28163E-05 2642 0.160E-02 0.698E-02 RMM: 7 -0.319116211600E+03 -0.24466E-04 -0.52959E-05 3227 0.206E-02 0.982E-02 RMM: 8 -0.319116170171E+03 0.41429E-04 -0.14660E-04 3891 0.250E-02 0.680E-02 RMM: 9 -0.319116142135E+03 0.28036E-04 -0.26302E-05 2639 0.142E-02 0.205E-02 RMM: 10 -0.319116147097E+03 -0.49615E-05 -0.10733E-05 2461 0.102E-02 8410 T= 6591. E= 0.67576691E+03 F= 0.63715284E+03 E0= 0.66606069E+03 EK= 0.53671E+02 SP= -.15E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318138113616E+03 0.97803E+00 -0.14984E-01 8600 0.242E+01 0.287E-01 RMM: 2 -0.318161972740E+03 -0.23859E-01 -0.15380E-01 5319 0.825E-01 0.124E+00 RMM: 3 -0.318150270345E+03 0.11702E-01 -0.13441E-02 5456 0.251E-01 0.298E-01 RMM: 4 -0.318149866711E+03 0.40363E-03 -0.18898E-03 4932 0.986E-02 0.202E-01 RMM: 5 -0.318149736759E+03 0.12995E-03 -0.33353E-04 3921 0.453E-02 0.154E-01 RMM: 6 -0.318149580872E+03 0.15589E-03 -0.86538E-05 3619 0.267E-02 0.418E-02 RMM: 7 -0.318149615439E+03 -0.34567E-04 -0.44563E-05 3097 0.188E-02 0.815E-02 RMM: 8 -0.318149582579E+03 0.32860E-04 -0.32123E-05 2699 0.179E-02 0.328E-02 RMM: 9 -0.318149577806E+03 0.47737E-05 -0.10716E-05 2467 0.963E-03 8411 T= 6457. E= 0.67577300E+03 F= 0.63811941E+03 E0= 0.66697024E+03 EK= 0.52581E+02 SP= -.15E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317224283607E+03 0.92530E+00 -0.13812E-01 8616 0.239E+01 0.211E-01 RMM: 2 -0.317243953359E+03 -0.19670E-01 -0.14286E-01 5314 0.825E-01 0.102E+00 RMM: 3 -0.317236117043E+03 0.78363E-02 -0.13093E-02 6008 0.219E-01 0.166E-01 RMM: 4 -0.317235794904E+03 0.32214E-03 -0.77515E-04 4821 0.606E-02 0.121E-01 RMM: 5 -0.317235697623E+03 0.97282E-04 -0.10930E-04 3785 0.260E-02 0.751E-02 RMM: 6 -0.317235671540E+03 0.26083E-04 -0.25204E-05 2602 0.152E-02 0.558E-02 RMM: 7 -0.317235668432E+03 0.31074E-05 -0.35095E-05 2763 0.166E-02 8412 T= 6330. E= 0.67578078E+03 F= 0.63903332E+03 E0= 0.66782506E+03 EK= 0.51549E+02 SP= -.15E+02 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316473559730E+03 0.76211E+00 -0.12593E-01 8336 0.237E+01 0.211E-01 RMM: 2 -0.316492084136E+03 -0.18524E-01 -0.13322E-01 5261 0.799E-01 0.100E+00 RMM: 3 -0.316484557529E+03 0.75266E-02 -0.12643E-02 5970 0.221E-01 0.199E-01 RMM: 4 -0.316484153395E+03 0.40413E-03 -0.82574E-04 4794 0.617E-02 0.104E-01 RMM: 5 -0.316484086863E+03 0.66531E-04 -0.10578E-04 3811 0.257E-02 0.675E-02 RMM: 6 -0.316484071574E+03 0.15289E-04 -0.22508E-05 2565 0.142E-02 8413 T= 6224. E= 0.67578863E+03 F= 0.63978492E+03 E0= 0.66851542E+03 EK= 0.50688E+02 SP= -.15E+02 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315999531106E+03 0.48456E+00 -0.12581E-01 7920 0.235E+01 0.253E-01 RMM: 2 -0.316028278112E+03 -0.28747E-01 -0.13421E-01 5144 0.814E-01 0.160E+00 RMM: 3 -0.316010606950E+03 0.17671E-01 -0.14974E-02 5581 0.262E-01 0.232E-01 RMM: 4 -0.316010187312E+03 0.41964E-03 -0.13602E-03 4996 0.712E-02 0.109E-01 RMM: 5 -0.316010107864E+03 0.79448E-04 -0.13355E-04 4221 0.280E-02 0.815E-02 RMM: 6 -0.316010085287E+03 0.22577E-04 -0.24754E-05 2579 0.146E-02 0.747E-02 RMM: 7 -0.316010096994E+03 -0.11706E-04 -0.74766E-05 3633 0.233E-02 8414 T= 6154. E= 0.67579470E+03 F= 0.64025889E+03 E0= 0.66892565E+03 EK= 0.50115E+02 SP= -.15E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315900463665E+03 0.10962E+00 -0.11712E-01 8080 0.234E+01 0.270E-01 RMM: 2 -0.315921437504E+03 -0.20974E-01 -0.11675E-01 4943 0.797E-01 0.131E+00 RMM: 3 -0.315910024513E+03 0.11413E-01 -0.14067E-02 5560 0.255E-01 0.292E-01 RMM: 4 -0.315909489311E+03 0.53520E-03 -0.15260E-03 4834 0.857E-02 0.139E-01 RMM: 5 -0.315909449309E+03 0.40002E-04 -0.24029E-04 3902 0.365E-02 0.125E-01 RMM: 6 -0.315909350139E+03 0.99169E-04 -0.70029E-05 3457 0.243E-02 0.373E-02 RMM: 7 -0.315909357701E+03 -0.75612E-05 -0.21991E-05 2563 0.140E-02 8415 T= 6131. E= 0.67579890E+03 F= 0.64035963E+03 E0= 0.66896246E+03 EK= 0.49927E+02 SP= -.15E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316231876549E+03 -0.32253E+00 -0.11899E-01 7808 0.234E+01 0.230E-01 RMM: 2 -0.316251825101E+03 -0.19949E-01 -0.11711E-01 4948 0.797E-01 0.121E+00 RMM: 3 -0.316241705611E+03 0.10119E-01 -0.13520E-02 5658 0.241E-01 0.217E-01 RMM: 4 -0.316241278528E+03 0.42708E-03 -0.10137E-03 4850 0.664E-02 0.100E-01 RMM: 5 -0.316241218631E+03 0.59897E-04 -0.13648E-04 3895 0.299E-02 0.766E-02 RMM: 6 -0.316241183129E+03 0.35502E-04 -0.31079E-05 2749 0.167E-02 0.475E-02 RMM: 7 -0.316241183647E+03 -0.51828E-06 -0.22956E-05 2549 0.142E-02 8416 T= 6162. E= 0.67579957E+03 F= 0.64002781E+03 E0= 0.66856659E+03 EK= 0.50181E+02 SP= -.14E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317003735200E+03 -0.76255E+00 -0.11532E-01 7864 0.236E+01 0.200E-01 RMM: 2 -0.317017900074E+03 -0.14165E-01 -0.98808E-02 4947 0.751E-01 0.912E-01 RMM: 3 -0.317012063297E+03 0.58368E-02 -0.11641E-02 5662 0.221E-01 0.168E-01 RMM: 4 -0.317011790398E+03 0.27290E-03 -0.77464E-04 4937 0.578E-02 0.902E-02 RMM: 5 -0.317011761323E+03 0.29075E-04 -0.11018E-04 3739 0.293E-02 0.770E-02 RMM: 6 -0.317011723991E+03 0.37331E-04 -0.30264E-05 2826 0.166E-02 0.361E-02 RMM: 7 -0.317011725490E+03 -0.14988E-05 -0.17998E-05 2509 0.135E-02 8417 T= 6248. E= 0.67579615E+03 F= 0.63925726E+03 E0= 0.66773395E+03 EK= 0.50881E+02 SP= -.14E+02 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318161028613E+03 -0.11493E+01 -0.12531E-01 7728 0.239E+01 0.184E-01 RMM: 2 -0.318177723045E+03 -0.16694E-01 -0.13142E-01 4830 0.855E-01 0.857E-01 RMM: 3 -0.318172642459E+03 0.50806E-02 -0.15319E-02 5910 0.229E-01 0.186E-01 RMM: 4 -0.318172209680E+03 0.43278E-03 -0.80497E-04 4731 0.658E-02 0.108E-01 RMM: 5 -0.318172140558E+03 0.69122E-04 -0.12946E-04 3815 0.305E-02 0.766E-02 RMM: 6 -0.318172105013E+03 0.35545E-04 -0.31401E-05 2766 0.170E-02 0.403E-02 RMM: 7 -0.318172103126E+03 0.18865E-05 -0.19982E-05 2516 0.136E-02 8418 T= 6383. E= 0.67578920E+03 F= 0.63809689E+03 E0= 0.66651612E+03 EK= 0.51976E+02 SP= -.14E+02 SK= 0.68E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319618538741E+03 -0.14464E+01 -0.12237E-01 7840 0.243E+01 0.188E-01 RMM: 2 -0.319633221546E+03 -0.14683E-01 -0.11453E-01 4893 0.806E-01 0.834E-01 RMM: 3 -0.319628395023E+03 0.48265E-02 -0.13341E-02 5892 0.223E-01 0.174E-01 RMM: 4 -0.319628051630E+03 0.34339E-03 -0.69122E-04 4871 0.592E-02 0.103E-01 RMM: 5 -0.319627985813E+03 0.65818E-04 -0.10738E-04 3693 0.288E-02 0.712E-02 RMM: 6 -0.319627963200E+03 0.22612E-04 -0.28336E-05 2644 0.160E-02 0.502E-02 RMM: 7 -0.319627955885E+03 0.73150E-05 -0.29616E-05 2623 0.163E-02 8419 T= 6553. E= 0.67578024E+03 F= 0.63664103E+03 E0= 0.66500911E+03 EK= 0.53367E+02 SP= -.14E+02 SK= 0.65E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.321242362263E+03 -0.16144E+01 -0.14256E-01 7744 0.247E+01 0.182E-01 RMM: 2 -0.321261961487E+03 -0.19599E-01 -0.16904E-01 4748 0.968E-01 0.793E-01 RMM: 3 -0.321257379652E+03 0.45818E-02 -0.19905E-02 6123 0.251E-01 0.167E-01 RMM: 4 -0.321256877736E+03 0.50192E-03 -0.85629E-04 4788 0.713E-02 0.125E-01 RMM: 5 -0.321256772833E+03 0.10490E-03 -0.13446E-04 3837 0.318E-02 0.716E-02 RMM: 6 -0.321256749666E+03 0.23166E-04 -0.28223E-05 2616 0.157E-02 0.499E-02 RMM: 7 -0.321256743452E+03 0.62140E-05 -0.22707E-05 2563 0.149E-02 8420 T= 6745. E= 0.67577040E+03 F= 0.63501225E+03 E0= 0.66333717E+03 EK= 0.54926E+02 SP= -.14E+02 SK= 0.79E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322915965109E+03 -0.16592E+01 -0.13664E-01 7968 0.251E+01 0.192E-01 RMM: 2 -0.322932454480E+03 -0.16489E-01 -0.13830E-01 4939 0.865E-01 0.797E-01 RMM: 3 -0.322927968683E+03 0.44858E-02 -0.15819E-02 5969 0.236E-01 0.170E-01 RMM: 4 -0.322927590521E+03 0.37816E-03 -0.74517E-04 4871 0.620E-02 0.120E-01 RMM: 5 -0.322927490397E+03 0.10012E-03 -0.11847E-04 3770 0.292E-02 0.752E-02 RMM: 6 -0.322927467804E+03 0.22594E-04 -0.27760E-05 2596 0.157E-02 0.576E-02 RMM: 7 -0.322927445660E+03 0.22144E-04 -0.38765E-05 2693 0.179E-02 0.557E-02 RMM: 8 -0.322927422788E+03 0.22872E-04 -0.31511E-05 2648 0.151E-02 0.299E-02 RMM: 9 -0.322927425743E+03 -0.29556E-05 -0.20482E-05 2508 0.120E-02 8421 T= 6940. E= 0.67576109E+03 F= 0.63334156E+03 E0= 0.66163303E+03 EK= 0.56517E+02 SP= -.14E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324509446200E+03 -0.15820E+01 -0.13977E-01 8168 0.254E+01 0.221E-01 RMM: 2 -0.324525633513E+03 -0.16187E-01 -0.13685E-01 5091 0.851E-01 0.826E-01 RMM: 3 -0.324520949544E+03 0.46840E-02 -0.15014E-02 5987 0.228E-01 0.158E-01 RMM: 4 -0.324520784650E+03 0.16489E-03 -0.87579E-04 4696 0.691E-02 0.201E-01 RMM: 5 -0.324520516648E+03 0.26800E-03 -0.18564E-04 3884 0.358E-02 0.764E-02 RMM: 6 -0.324520482494E+03 0.34154E-04 -0.39671E-05 3028 0.188E-02 0.420E-02 RMM: 7 -0.324520475148E+03 0.73462E-05 -0.20862E-05 2558 0.139E-02 8422 T= 7124. E= 0.67575317E+03 F= 0.63174851E+03 E0= 0.66001570E+03 EK= 0.58010E+02 SP= -.14E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325927323133E+03 -0.14068E+01 -0.14426E-01 8080 0.257E+01 0.188E-01 RMM: 2 -0.325944133005E+03 -0.16810E-01 -0.14198E-01 5179 0.856E-01 0.794E-01 RMM: 3 -0.325939554963E+03 0.45780E-02 -0.15036E-02 6070 0.225E-01 0.176E-01 RMM: 4 -0.325939142045E+03 0.41292E-03 -0.68962E-04 4891 0.587E-02 0.104E-01 RMM: 5 -0.325939066101E+03 0.75943E-04 -0.92614E-05 3800 0.244E-02 0.779E-02 RMM: 6 -0.325939052716E+03 0.13385E-04 -0.24453E-05 2556 0.141E-02 8423 T= 7282. E= 0.67574725E+03 F= 0.63032994E+03 E0= 0.65858244E+03 EK= 0.59303E+02 SP= -.14E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327100522080E+03 -0.11615E+01 -0.15471E-01 8336 0.258E+01 0.277E-01 RMM: 2 -0.327129501023E+03 -0.28979E-01 -0.15803E-01 5030 0.904E-01 0.150E+00 RMM: 3 -0.327113798826E+03 0.15702E-01 -0.18597E-02 5529 0.291E-01 0.250E-01 RMM: 4 -0.327113311932E+03 0.48689E-03 -0.15377E-03 5127 0.763E-02 0.100E-01 RMM: 5 -0.327113243755E+03 0.68178E-04 -0.15365E-04 4104 0.314E-02 0.787E-02 RMM: 6 -0.327113219187E+03 0.24568E-04 -0.29925E-05 2594 0.153E-02 0.644E-02 RMM: 7 -0.327113233127E+03 -0.13940E-04 -0.71036E-05 3594 0.225E-02 8424 T= 7407. E= 0.67574261E+03 F= 0.62915576E+03 E0= 0.65740284E+03 EK= 0.60316E+02 SP= -.14E+02 SK= 0.49E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327985307150E+03 -0.87209E+00 -0.16003E-01 8560 0.260E+01 0.323E-01 RMM: 2 -0.328014698100E+03 -0.29391E-01 -0.15782E-01 5106 0.909E-01 0.155E+00 RMM: 3 -0.327997847326E+03 0.16851E-01 -0.17611E-02 5553 0.291E-01 0.325E-01 RMM: 4 -0.327997092939E+03 0.75439E-03 -0.19857E-03 4958 0.982E-02 0.143E-01 RMM: 5 -0.327997068378E+03 0.24560E-04 -0.28460E-04 3917 0.399E-02 0.142E-01 RMM: 6 -0.327996931663E+03 0.13672E-03 -0.72479E-05 3499 0.245E-02 0.381E-02 RMM: 7 -0.327996939219E+03 -0.75557E-05 -0.25675E-05 2616 0.147E-02 8425 T= 7490. E= 0.67573885E+03 F= 0.62827205E+03 E0= 0.65652011E+03 EK= 0.60998E+02 SP= -.14E+02 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328544747874E+03 -0.54782E+00 -0.17142E-01 8632 0.260E+01 0.229E-01 RMM: 2 -0.328569824393E+03 -0.25077E-01 -0.17425E-01 5117 0.916E-01 0.116E+00 RMM: 3 -0.328559377313E+03 0.10447E-01 -0.16841E-02 5789 0.263E-01 0.204E-01 RMM: 4 -0.328558933923E+03 0.44339E-03 -0.10629E-03 4948 0.681E-02 0.103E-01 RMM: 5 -0.328558870192E+03 0.63731E-04 -0.13666E-04 3929 0.304E-02 0.786E-02 RMM: 6 -0.328558839254E+03 0.30938E-04 -0.30155E-05 2658 0.161E-02 0.583E-02 RMM: 7 -0.328558845746E+03 -0.64920E-05 -0.46406E-05 3074 0.189E-02 8426 T= 7529. E= 0.67573700E+03 F= 0.62771014E+03 E0= 0.65596546E+03 EK= 0.61315E+02 SP= -.13E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328771836200E+03 -0.21300E+00 -0.17000E-01 8704 0.260E+01 0.227E-01 RMM: 2 -0.328794442259E+03 -0.22606E-01 -0.17333E-01 4968 0.928E-01 0.101E+00 RMM: 3 -0.328786570121E+03 0.78721E-02 -0.17186E-02 5881 0.267E-01 0.223E-01 RMM: 4 -0.328786063472E+03 0.50665E-03 -0.10793E-03 4863 0.718E-02 0.972E-02 RMM: 5 -0.328786030507E+03 0.32964E-04 -0.15394E-04 3875 0.323E-02 0.878E-02 RMM: 6 -0.328785985155E+03 0.45352E-04 -0.36248E-05 2941 0.180E-02 0.452E-02 RMM: 7 -0.328785986119E+03 -0.96374E-06 -0.19129E-05 2522 0.140E-02 8427 T= 7522. E= 0.67573632E+03 F= 0.62748300E+03 E0= 0.65575006E+03 EK= 0.61252E+02 SP= -.13E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328667126426E+03 0.11886E+00 -0.17324E-01 8576 0.259E+01 0.186E-01 RMM: 2 -0.328690554913E+03 -0.23428E-01 -0.19161E-01 5233 0.939E-01 0.896E-01 RMM: 3 -0.328683618942E+03 0.69360E-02 -0.17323E-02 5863 0.254E-01 0.173E-01 RMM: 4 -0.328683235425E+03 0.38352E-03 -0.92193E-04 4818 0.667E-02 0.118E-01 RMM: 5 -0.328683148231E+03 0.87194E-04 -0.12719E-04 3851 0.308E-02 0.736E-02 RMM: 6 -0.328683122953E+03 0.25279E-04 -0.30478E-05 2689 0.165E-02 0.548E-02 RMM: 7 -0.328683123485E+03 -0.53276E-06 -0.44479E-05 2928 0.183E-02 8428 T= 7468. E= 0.67573795E+03 F= 0.62758587E+03 E0= 0.65586918E+03 EK= 0.60817E+02 SP= -.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328265901215E+03 0.41722E+00 -0.17649E-01 8568 0.257E+01 0.216E-01 RMM: 2 -0.328291106193E+03 -0.25205E-01 -0.19461E-01 5087 0.957E-01 0.102E+00 RMM: 3 -0.328282487289E+03 0.86189E-02 -0.18595E-02 5821 0.270E-01 0.216E-01 RMM: 4 -0.328281988852E+03 0.49844E-03 -0.10974E-03 4950 0.714E-02 0.103E-01 RMM: 5 -0.328281948483E+03 0.40369E-04 -0.15343E-04 3904 0.322E-02 0.896E-02 RMM: 6 -0.328281905651E+03 0.42833E-04 -0.39556E-05 2997 0.186E-02 0.531E-02 RMM: 7 -0.328281913502E+03 -0.78509E-05 -0.33154E-05 2684 0.172E-02 8429 T= 7374. E= 0.67574183E+03 F= 0.62798708E+03 E0= 0.65628888E+03 EK= 0.60047E+02 SP= -.13E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327630681067E+03 0.65122E+00 -0.17784E-01 8376 0.255E+01 0.188E-01 RMM: 2 -0.327653675809E+03 -0.22995E-01 -0.19288E-01 5295 0.938E-01 0.845E-01 RMM: 3 -0.327647131855E+03 0.65440E-02 -0.16455E-02 5896 0.253E-01 0.176E-01 RMM: 4 -0.327646794401E+03 0.33745E-03 -0.88392E-04 4785 0.663E-02 0.117E-01 RMM: 5 -0.327646708213E+03 0.86188E-04 -0.12342E-04 3783 0.302E-02 0.749E-02 RMM: 6 -0.327646685210E+03 0.23003E-04 -0.30301E-05 2693 0.166E-02 0.551E-02 RMM: 7 -0.327646691459E+03 -0.62490E-05 -0.40027E-05 2791 0.179E-02 8430 T= 7247. E= 0.67574865E+03 F= 0.62862230E+03 E0= 0.65694385E+03 EK= 0.59015E+02 SP= -.12E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326858627818E+03 0.78806E+00 -0.16771E-01 8576 0.252E+01 0.225E-01 RMM: 2 -0.326881351251E+03 -0.22723E-01 -0.17141E-01 5305 0.874E-01 0.102E+00 RMM: 3 -0.326872652540E+03 0.86987E-02 -0.14175E-02 5848 0.244E-01 0.228E-01 RMM: 4 -0.326872212064E+03 0.44048E-03 -0.99863E-04 4793 0.695E-02 0.112E-01 RMM: 5 -0.326872159407E+03 0.52657E-04 -0.15155E-04 3842 0.313E-02 0.951E-02 RMM: 6 -0.326872109077E+03 0.50330E-04 -0.43174E-05 3095 0.198E-02 0.532E-02 RMM: 7 -0.326872116750E+03 -0.76736E-05 -0.43480E-05 2969 0.193E-02 8431 T= 7100. E= 0.67575667E+03 F= 0.62939687E+03 E0= 0.65773708E+03 EK= 0.57820E+02 SP= -.12E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326050511929E+03 0.82160E+00 -0.17541E-01 8456 0.248E+01 0.196E-01 RMM: 2 -0.326072605193E+03 -0.22093E-01 -0.18943E-01 5196 0.929E-01 0.814E-01 RMM: 3 -0.326066500286E+03 0.61049E-02 -0.16483E-02 6030 0.247E-01 0.181E-01 RMM: 4 -0.326066137379E+03 0.36291E-03 -0.89764E-04 4788 0.673E-02 0.123E-01 RMM: 5 -0.326066041595E+03 0.95784E-04 -0.13470E-04 3815 0.303E-02 0.805E-02 RMM: 6 -0.326066011267E+03 0.30328E-04 -0.33101E-05 2855 0.174E-02 0.519E-02 RMM: 7 -0.326066015269E+03 -0.40022E-05 -0.43475E-05 2843 0.193E-02 8432 T= 6947. E= 0.67576360E+03 F= 0.63020297E+03 E0= 0.65855987E+03 EK= 0.56576E+02 SP= -.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325314349256E+03 0.75166E+00 -0.16691E-01 8656 0.245E+01 0.198E-01 RMM: 2 -0.325335083542E+03 -0.20734E-01 -0.16819E-01 5372 0.861E-01 0.867E-01 RMM: 3 -0.325328395223E+03 0.66883E-02 -0.13003E-02 5949 0.226E-01 0.184E-01 RMM: 4 -0.325328089660E+03 0.30556E-03 -0.79562E-04 4725 0.634E-02 0.120E-01 RMM: 5 -0.325328005424E+03 0.84236E-04 -0.13031E-04 3767 0.290E-02 0.817E-02 RMM: 6 -0.325327971775E+03 0.33649E-04 -0.37830E-05 3000 0.188E-02 0.506E-02 RMM: 7 -0.325327981505E+03 -0.97294E-05 -0.35341E-05 2677 0.175E-02 8433 T= 6802. E= 0.67576902E+03 F= 0.63094101E+03 E0= 0.65931098E+03 EK= 0.55391E+02 SP= -.11E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324720497740E+03 0.60747E+00 -0.17746E-01 8792 0.242E+01 0.203E-01 RMM: 2 -0.324741535315E+03 -0.21038E-01 -0.17962E-01 5231 0.896E-01 0.808E-01 RMM: 3 -0.324735658264E+03 0.58771E-02 -0.15047E-02 5981 0.235E-01 0.173E-01 RMM: 4 -0.324735353562E+03 0.30470E-03 -0.85379E-04 4800 0.642E-02 0.125E-01 RMM: 5 -0.324735264085E+03 0.89476E-04 -0.13323E-04 3821 0.285E-02 0.833E-02 RMM: 6 -0.324735227240E+03 0.36845E-04 -0.35134E-05 2939 0.180E-02 0.454E-02 RMM: 7 -0.324735236316E+03 -0.90754E-05 -0.32017E-05 2667 0.168E-02 8434 T= 6673. E= 0.67577210E+03 F= 0.63153375E+03 E0= 0.65991266E+03 EK= 0.54345E+02 SP= -.11E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324316659201E+03 0.41857E+00 -0.17857E-01 8968 0.239E+01 0.203E-01 RMM: 2 -0.324338346225E+03 -0.21687E-01 -0.17095E-01 5312 0.859E-01 0.936E-01 RMM: 3 -0.324330920947E+03 0.74253E-02 -0.12869E-02 5915 0.225E-01 0.174E-01 RMM: 4 -0.324330651596E+03 0.26935E-03 -0.84146E-04 4732 0.650E-02 0.126E-01 RMM: 5 -0.324330567001E+03 0.84595E-04 -0.14020E-04 3832 0.299E-02 0.810E-02 RMM: 6 -0.324330532624E+03 0.34377E-04 -0.37739E-05 3009 0.185E-02 0.477E-02 RMM: 7 -0.324330544178E+03 -0.11554E-04 -0.30539E-05 2633 0.164E-02 8435 T= 6568. E= 0.67577354E+03 F= 0.63193845E+03 E0= 0.66032089E+03 EK= 0.53487E+02 SP= -.10E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324112930767E+03 0.21760E+00 -0.18489E-01 9080 0.237E+01 0.232E-01 RMM: 2 -0.324136572334E+03 -0.23642E-01 -0.17656E-01 5355 0.869E-01 0.106E+00 RMM: 3 -0.324127523577E+03 0.90488E-02 -0.13640E-02 5817 0.235E-01 0.209E-01 RMM: 4 -0.324127156574E+03 0.36700E-03 -0.10352E-03 4815 0.685E-02 0.116E-01 RMM: 5 -0.324127092646E+03 0.63928E-04 -0.15477E-04 3885 0.303E-02 0.910E-02 RMM: 6 -0.324127046373E+03 0.46273E-04 -0.41733E-05 3088 0.191E-02 0.467E-02 RMM: 7 -0.324127057417E+03 -0.11044E-04 -0.28179E-05 2625 0.157E-02 8436 T= 6488. E= 0.67577334E+03 F= 0.63214193E+03 E0= 0.66052277E+03 EK= 0.52832E+02 SP= -.96E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324103730753E+03 0.23316E-01 -0.20013E-01 9096 0.236E+01 0.217E-01 RMM: 2 -0.324128708715E+03 -0.24978E-01 -0.18982E-01 5401 0.890E-01 0.105E+00 RMM: 3 -0.324119650485E+03 0.90582E-02 -0.13967E-02 5720 0.236E-01 0.200E-01 RMM: 4 -0.324119311255E+03 0.33923E-03 -0.10394E-03 4793 0.686E-02 0.119E-01 RMM: 5 -0.324119242241E+03 0.69014E-04 -0.15824E-04 3878 0.308E-02 0.861E-02 RMM: 6 -0.324119203516E+03 0.38725E-04 -0.40400E-05 3058 0.187E-02 0.514E-02 RMM: 7 -0.324119218172E+03 -0.14656E-04 -0.33874E-05 2715 0.172E-02 8437 T= 6432. E= 0.67577187E+03 F= 0.63214977E+03 E0= 0.66052337E+03 EK= 0.52377E+02 SP= -.92E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324273102779E+03 -0.15390E+00 -0.21094E-01 9080 0.236E+01 0.239E-01 RMM: 2 -0.324299680326E+03 -0.26578E-01 -0.19899E-01 5305 0.921E-01 0.111E+00 RMM: 3 -0.324289817908E+03 0.98624E-02 -0.15969E-02 5718 0.251E-01 0.217E-01 RMM: 4 -0.324289397432E+03 0.42048E-03 -0.11632E-03 4934 0.712E-02 0.115E-01 RMM: 5 -0.324289343584E+03 0.53849E-04 -0.17468E-04 3914 0.322E-02 0.986E-02 RMM: 6 -0.324289287842E+03 0.55742E-04 -0.51148E-05 3223 0.204E-02 0.480E-02 RMM: 7 -0.324289301443E+03 -0.13601E-04 -0.32015E-05 2722 0.167E-02 8438 T= 6398. E= 0.67576972E+03 F= 0.63197969E+03 E0= 0.66034186E+03 EK= 0.52105E+02 SP= -.87E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324597362481E+03 -0.30807E+00 -0.22201E-01 9104 0.236E+01 0.222E-01 RMM: 2 -0.324622132902E+03 -0.24770E-01 -0.18969E-01 5644 0.864E-01 0.105E+00 RMM: 3 -0.324613194049E+03 0.89389E-02 -0.12665E-02 5866 0.221E-01 0.200E-01 RMM: 4 -0.324612849718E+03 0.34433E-03 -0.95504E-04 4771 0.656E-02 0.122E-01 RMM: 5 -0.324612775670E+03 0.74048E-04 -0.15254E-04 3865 0.301E-02 0.861E-02 RMM: 6 -0.324612736522E+03 0.39148E-04 -0.41085E-05 3088 0.188E-02 0.513E-02 RMM: 7 -0.324612752956E+03 -0.16434E-04 -0.34850E-05 2726 0.167E-02 8439 T= 6384. E= 0.67576757E+03 F= 0.63165624E+03 E0= 0.66000235E+03 EK= 0.51991E+02 SP= -.83E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325050722588E+03 -0.43799E+00 -0.24511E-01 8888 0.236E+01 0.225E-01 RMM: 2 -0.325077757339E+03 -0.27035E-01 -0.21182E-01 5414 0.942E-01 0.104E+00 RMM: 3 -0.325068760560E+03 0.89968E-02 -0.15813E-02 5787 0.245E-01 0.208E-01 RMM: 4 -0.325068357409E+03 0.40315E-03 -0.10621E-03 4924 0.685E-02 0.112E-01 RMM: 5 -0.325068301571E+03 0.55838E-04 -0.16281E-04 3941 0.307E-02 0.938E-02 RMM: 6 -0.325068252020E+03 0.49551E-04 -0.45576E-05 3145 0.194E-02 0.463E-02 RMM: 7 -0.325068265601E+03 -0.13581E-04 -0.30626E-05 2660 0.159E-02 8440 T= 6387. E= 0.67576487E+03 F= 0.63120072E+03 E0= 0.65952824E+03 EK= 0.52014E+02 SP= -.78E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325622473498E+03 -0.55422E+00 -0.23041E-01 8960 0.237E+01 0.215E-01 RMM: 2 -0.325646388723E+03 -0.23915E-01 -0.18794E-01 5737 0.863E-01 0.985E-01 RMM: 3 -0.325638236563E+03 0.81522E-02 -0.11586E-02 5792 0.214E-01 0.180E-01 RMM: 4 -0.325637972051E+03 0.26451E-03 -0.87308E-04 4768 0.628E-02 0.123E-01 RMM: 5 -0.325637892446E+03 0.79605E-04 -0.13659E-04 3824 0.285E-02 0.865E-02 RMM: 6 -0.325637852575E+03 0.39872E-04 -0.38415E-05 3048 0.184E-02 0.486E-02 RMM: 7 -0.325637865803E+03 -0.13229E-04 -0.29017E-05 2625 0.151E-02 8441 T= 6404. E= 0.67576205E+03 F= 0.63063112E+03 E0= 0.65893804E+03 EK= 0.52154E+02 SP= -.74E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326292632344E+03 -0.65478E+00 -0.22388E-01 9024 0.239E+01 0.201E-01 RMM: 2 -0.326313981756E+03 -0.21349E-01 -0.17807E-01 5634 0.846E-01 0.847E-01 RMM: 3 -0.326307587256E+03 0.63945E-02 -0.11505E-02 5823 0.211E-01 0.167E-01 RMM: 4 -0.326307359551E+03 0.22770E-03 -0.80294E-04 4878 0.586E-02 0.121E-01 RMM: 5 -0.326307273484E+03 0.86067E-04 -0.11862E-04 3793 0.267E-02 0.822E-02 RMM: 6 -0.326307237226E+03 0.36258E-04 -0.35253E-05 2969 0.176E-02 0.464E-02 RMM: 7 -0.326307248623E+03 -0.11397E-04 -0.37811E-05 2755 0.170E-02 8442 T= 6434. E= 0.67575945E+03 F= 0.62996174E+03 E0= 0.65824768E+03 EK= 0.52397E+02 SP= -.70E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327051555257E+03 -0.74432E+00 -0.20678E-01 9000 0.240E+01 0.202E-01 RMM: 2 -0.327071968092E+03 -0.20413E-01 -0.16479E-01 5699 0.810E-01 0.883E-01 RMM: 3 -0.327065051183E+03 0.69169E-02 -0.99867E-03 5937 0.199E-01 0.158E-01 RMM: 4 -0.327064855890E+03 0.19529E-03 -0.73758E-04 4728 0.581E-02 0.127E-01 RMM: 5 -0.327064761122E+03 0.94768E-04 -0.11720E-04 3756 0.266E-02 0.789E-02 RMM: 6 -0.327064728522E+03 0.32600E-04 -0.33590E-05 2946 0.175E-02 0.479E-02 RMM: 7 -0.327064739650E+03 -0.11128E-04 -0.30189E-05 2624 0.153E-02 8443 T= 6475. E= 0.67575638E+03 F= 0.62920425E+03 E0= 0.65746910E+03 EK= 0.52727E+02 SP= -.65E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327884515179E+03 -0.81979E+00 -0.19278E-01 8880 0.242E+01 0.183E-01 RMM: 2 -0.327903394058E+03 -0.18879E-01 -0.16383E-01 5534 0.836E-01 0.740E-01 RMM: 3 -0.327898282716E+03 0.51113E-02 -0.11608E-02 5918 0.207E-01 0.155E-01 RMM: 4 -0.327898047421E+03 0.23530E-03 -0.70598E-04 4817 0.558E-02 0.115E-01 RMM: 5 -0.327897959351E+03 0.88070E-04 -0.99866E-05 3661 0.252E-02 0.726E-02 RMM: 6 -0.327897935562E+03 0.23789E-04 -0.28975E-05 2767 0.163E-02 0.494E-02 RMM: 7 -0.327897943214E+03 -0.76521E-05 -0.40281E-05 2784 0.171E-02 8444 T= 6524. E= 0.67575320E+03 F= 0.62837105E+03 E0= 0.65661651E+03 EK= 0.53131E+02 SP= -.61E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328782108418E+03 -0.88417E+00 -0.17079E-01 8824 0.244E+01 0.192E-01 RMM: 2 -0.328800160295E+03 -0.18052E-01 -0.14316E-01 5472 0.794E-01 0.860E-01 RMM: 3 -0.328794031530E+03 0.61288E-02 -0.10093E-02 5884 0.201E-01 0.166E-01 RMM: 4 -0.328793809367E+03 0.22216E-03 -0.69834E-04 4708 0.576E-02 0.116E-01 RMM: 5 -0.328793729756E+03 0.79611E-04 -0.10466E-04 3665 0.259E-02 0.778E-02 RMM: 6 -0.328793698903E+03 0.30853E-04 -0.30674E-05 2839 0.170E-02 0.489E-02 RMM: 7 -0.328793707387E+03 -0.84838E-05 -0.29661E-05 2612 0.154E-02 8445 T= 6581. E= 0.67574971E+03 F= 0.62747528E+03 E0= 0.65570406E+03 EK= 0.53592E+02 SP= -.57E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329724018986E+03 -0.93032E+00 -0.15381E-01 8624 0.246E+01 0.183E-01 RMM: 2 -0.329739979056E+03 -0.15960E-01 -0.13294E-01 5341 0.787E-01 0.759E-01 RMM: 3 -0.329735253172E+03 0.47259E-02 -0.10371E-02 5883 0.205E-01 0.159E-01 RMM: 4 -0.329735044807E+03 0.20836E-03 -0.64981E-04 4782 0.542E-02 0.109E-01 RMM: 5 -0.329734966861E+03 0.77947E-04 -0.89344E-05 3599 0.251E-02 0.707E-02 RMM: 6 -0.329734945691E+03 0.21169E-04 -0.26351E-05 2612 0.156E-02 0.521E-02 RMM: 7 -0.329734948167E+03 -0.24757E-05 -0.43556E-05 2911 0.181E-02 8446 T= 6642. E= 0.67574641E+03 F= 0.62653404E+03 E0= 0.65475137E+03 EK= 0.54092E+02 SP= -.53E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330688874504E+03 -0.95393E+00 -0.14395E-01 8296 0.248E+01 0.186E-01 RMM: 2 -0.330704992720E+03 -0.16118E-01 -0.12519E-01 5157 0.786E-01 0.845E-01 RMM: 3 -0.330699557498E+03 0.54352E-02 -0.11208E-02 5874 0.212E-01 0.173E-01 RMM: 4 -0.330699296756E+03 0.26074E-03 -0.69621E-04 4665 0.592E-02 0.109E-01 RMM: 5 -0.330699226741E+03 0.70015E-04 -0.10131E-04 3640 0.269E-02 0.748E-02 RMM: 6 -0.330699198463E+03 0.28278E-04 -0.28556E-05 2713 0.165E-02 0.478E-02 RMM: 7 -0.330699203295E+03 -0.48327E-05 -0.27870E-05 2603 0.153E-02 8447 T= 6705. E= 0.67574237E+03 F= 0.62556979E+03 E0= 0.65378181E+03 EK= 0.54605E+02 SP= -.48E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331637706446E+03 -0.93851E+00 -0.13374E-01 8096 0.249E+01 0.174E-01 RMM: 2 -0.331650674459E+03 -0.12968E-01 -0.10597E-01 5203 0.731E-01 0.732E-01 RMM: 3 -0.331646614202E+03 0.40603E-02 -0.94219E-03 5824 0.196E-01 0.158E-01 RMM: 4 -0.331646413474E+03 0.20073E-03 -0.58435E-04 4718 0.521E-02 0.101E-01 RMM: 5 -0.331646345562E+03 0.67912E-04 -0.81070E-05 3550 0.248E-02 0.674E-02 RMM: 6 -0.331646326093E+03 0.19469E-04 -0.23828E-05 2570 0.148E-02 8448 T= 6765. E= 0.67573724E+03 F= 0.62462266E+03 E0= 0.65283701E+03 EK= 0.55087E+02 SP= -.44E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332502347633E+03 -0.85600E+00 -0.13176E-01 7760 0.250E+01 0.212E-01 RMM: 2 -0.332520184847E+03 -0.17837E-01 -0.11011E-01 4974 0.757E-01 0.108E+00 RMM: 3 -0.332511689100E+03 0.84957E-02 -0.11963E-02 5479 0.234E-01 0.219E-01 RMM: 4 -0.332511338551E+03 0.35055E-03 -0.96401E-04 4806 0.636E-02 0.878E-02 RMM: 5 -0.332511292229E+03 0.46322E-04 -0.10794E-04 3882 0.274E-02 0.727E-02 RMM: 6 -0.332511271893E+03 0.20337E-04 -0.24791E-05 2570 0.146E-02 0.621E-02 RMM: 7 -0.332511283121E+03 -0.11228E-04 -0.43066E-05 3059 0.188E-02 8449 T= 6812. E= 0.67573119E+03 F= 0.62375771E+03 E0= 0.65198091E+03 EK= 0.55472E+02 SP= -.39E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333206487994E+03 -0.69522E+00 -0.12689E-01 7760 0.251E+01 0.262E-01 RMM: 2 -0.333225759266E+03 -0.19271E-01 -0.99721E-02 4984 0.755E-01 0.128E+00 RMM: 3 -0.333214380318E+03 0.11379E-01 -0.11897E-02 5490 0.244E-01 0.254E-01 RMM: 4 -0.333213962336E+03 0.41798E-03 -0.12496E-03 4700 0.774E-02 0.132E-01 RMM: 5 -0.333213929786E+03 0.32550E-04 -0.21283E-04 3892 0.383E-02 0.120E-01 RMM: 6 -0.333213833461E+03 0.96324E-04 -0.62898E-05 3373 0.237E-02 0.350E-02 RMM: 7 -0.333213837448E+03 -0.39866E-05 -0.19689E-05 2544 0.135E-02 8450 T= 6837. E= 0.67572569E+03 F= 0.62305515E+03 E0= 0.65129303E+03 EK= 0.55680E+02 SP= -.35E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333667470139E+03 -0.45364E+00 -0.13356E-01 7864 0.251E+01 0.204E-01 RMM: 2 -0.333685746833E+03 -0.18277E-01 -0.12586E-01 4924 0.813E-01 0.102E+00 RMM: 3 -0.333678215511E+03 0.75313E-02 -0.14130E-02 5630 0.240E-01 0.203E-01 RMM: 4 -0.333677839600E+03 0.37591E-03 -0.93301E-04 4811 0.649E-02 0.101E-01 RMM: 5 -0.333677772748E+03 0.66852E-04 -0.12462E-04 3883 0.298E-02 0.763E-02 RMM: 6 -0.333677743694E+03 0.29054E-04 -0.28964E-05 2625 0.160E-02 0.564E-02 RMM: 7 -0.333677739101E+03 0.45938E-05 -0.30352E-05 2614 0.164E-02 8451 T= 6832. E= 0.67572209E+03 F= 0.62259125E+03 E0= 0.65084723E+03 EK= 0.55637E+02 SP= -.30E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333846282156E+03 -0.16854E+00 -0.13496E-01 8064 0.250E+01 0.193E-01 RMM: 2 -0.333861457518E+03 -0.15175E-01 -0.11439E-01 4936 0.776E-01 0.869E-01 RMM: 3 -0.333855938370E+03 0.55191E-02 -0.12882E-02 5847 0.226E-01 0.174E-01 RMM: 4 -0.333855636943E+03 0.30143E-03 -0.73791E-04 4788 0.595E-02 0.105E-01 RMM: 5 -0.333855571778E+03 0.65165E-04 -0.10268E-04 3699 0.279E-02 0.694E-02 RMM: 6 -0.333855550234E+03 0.21544E-04 -0.25357E-05 2570 0.150E-02 0.509E-02 RMM: 7 -0.333855549502E+03 0.73135E-06 -0.26422E-05 2615 0.155E-02 8452 T= 6791. E= 0.67572162E+03 F= 0.62241344E+03 E0= 0.65069000E+03 EK= 0.55300E+02 SP= -.25E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333735649837E+03 0.11990E+00 -0.14214E-01 8040 0.247E+01 0.182E-01 RMM: 2 -0.333753423503E+03 -0.17774E-01 -0.14259E-01 4847 0.852E-01 0.835E-01 RMM: 3 -0.333748009837E+03 0.54137E-02 -0.15641E-02 5926 0.238E-01 0.173E-01 RMM: 4 -0.333747649275E+03 0.36056E-03 -0.79230E-04 4716 0.649E-02 0.117E-01 RMM: 5 -0.333747560652E+03 0.88623E-04 -0.12218E-04 3798 0.301E-02 0.746E-02 RMM: 6 -0.333747533485E+03 0.27167E-04 -0.29361E-05 2651 0.165E-02 0.503E-02 RMM: 7 -0.333747530934E+03 0.25504E-05 -0.23032E-05 2570 0.146E-02 8453 T= 6714. E= 0.67572506E+03 F= 0.62252146E+03 E0= 0.65081857E+03 EK= 0.54673E+02 SP= -.20E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333393327803E+03 0.35421E+00 -0.14024E-01 8192 0.244E+01 0.177E-01 RMM: 2 -0.333410609701E+03 -0.17282E-01 -0.14167E-01 4991 0.825E-01 0.804E-01 RMM: 3 -0.333405293516E+03 0.53162E-02 -0.13866E-02 5964 0.225E-01 0.161E-01 RMM: 4 -0.333404979591E+03 0.31392E-03 -0.69022E-04 4848 0.584E-02 0.104E-01 RMM: 5 -0.333404909748E+03 0.69842E-04 -0.92902E-05 3642 0.268E-02 0.689E-02 RMM: 6 -0.333404890229E+03 0.19519E-04 -0.26234E-05 2581 0.155E-02 8454 T= 6608. E= 0.67573180E+03 F= 0.62286410E+03 E0= 0.65118075E+03 EK= 0.53814E+02 SP= -.15E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332909886169E+03 0.49502E+00 -0.13428E-01 8384 0.240E+01 0.209E-01 RMM: 2 -0.332929463536E+03 -0.19577E-01 -0.13179E-01 5092 0.774E-01 0.105E+00 RMM: 3 -0.332920647004E+03 0.88165E-02 -0.12511E-02 5536 0.236E-01 0.218E-01 RMM: 4 -0.332920271120E+03 0.37588E-03 -0.99169E-04 4948 0.633E-02 0.866E-02 RMM: 5 -0.332920220286E+03 0.50834E-04 -0.97971E-05 3810 0.257E-02 0.733E-02 RMM: 6 -0.332920202039E+03 0.18246E-04 -0.21799E-05 2554 0.139E-02 8455 T= 6486. E= 0.67574031E+03 F= 0.62334879E+03 E0= 0.65168268E+03 EK= 0.52820E+02 SP= -.96E+00 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332400796192E+03 0.51942E+00 -0.13421E-01 8448 0.236E+01 0.326E-01 RMM: 2 -0.332438451165E+03 -0.37655E-01 -0.12937E-01 5197 0.792E-01 0.197E+00 RMM: 3 -0.332410659655E+03 0.27792E-01 -0.15812E-02 5396 0.295E-01 0.326E-01 RMM: 4 -0.332409843885E+03 0.81577E-03 -0.18493E-03 4897 0.880E-02 0.915E-02 RMM: 5 -0.332409802890E+03 0.40995E-04 -0.20932E-04 4544 0.294E-02 0.907E-02 RMM: 6 -0.332409759282E+03 0.43608E-04 -0.24974E-05 2605 0.155E-02 0.625E-02 RMM: 7 -0.332409774774E+03 -0.15492E-04 -0.37940E-05 2945 0.177E-02 8456 T= 6362. E= 0.67574826E+03 F= 0.62385921E+03 E0= 0.65220726E+03 EK= 0.51809E+02 SP= -.45E+00 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331983119521E+03 0.42664E+00 -0.12917E-01 8584 0.233E+01 0.318E-01 RMM: 2 -0.332013985706E+03 -0.30866E-01 -0.13008E-01 5128 0.781E-01 0.170E+00 RMM: 3 -0.331993128620E+03 0.20857E-01 -0.14558E-02 5416 0.275E-01 0.320E-01 RMM: 4 -0.331992448393E+03 0.68023E-03 -0.19355E-03 4929 0.959E-02 0.138E-01 RMM: 5 -0.331992507064E+03 -0.58671E-04 -0.31249E-04 3929 0.425E-02 0.167E-01 RMM: 6 -0.331992319700E+03 0.18736E-03 -0.95783E-05 3696 0.283E-02 0.418E-02 RMM: 7 -0.331992320851E+03 -0.11509E-05 -0.24619E-05 2624 0.146E-02 8457 T= 6251. E= 0.67575536E+03 F= 0.62427667E+03 E0= 0.65263495E+03 EK= 0.50905E+02 SP= 0.63E-01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331757174217E+03 0.23515E+00 -0.13487E-01 8568 0.229E+01 0.244E-01 RMM: 2 -0.331782257401E+03 -0.25083E-01 -0.14732E-01 5090 0.828E-01 0.131E+00 RMM: 3 -0.331769244028E+03 0.13013E-01 -0.14500E-02 5527 0.260E-01 0.223E-01 RMM: 4 -0.331768857031E+03 0.38700E-03 -0.12853E-03 5188 0.685E-02 0.921E-02 RMM: 5 -0.331768782527E+03 0.74504E-04 -0.12662E-04 3828 0.294E-02 0.783E-02 RMM: 6 -0.331768744935E+03 0.37593E-04 -0.30870E-05 2746 0.166E-02 0.502E-02 RMM: 7 -0.331768743000E+03 0.19343E-05 -0.30745E-05 2627 0.159E-02 8458 T= 6166. E= 0.67575998E+03 F= 0.62450025E+03 E0= 0.65286483E+03 EK= 0.50209E+02 SP= 0.56E+00 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331796594204E+03 -0.27849E-01 -0.13318E-01 8648 0.228E+01 0.189E-01 RMM: 2 -0.331813824292E+03 -0.17230E-01 -0.13069E-01 5184 0.776E-01 0.879E-01 RMM: 3 -0.331807518601E+03 0.63057E-02 -0.11768E-02 5724 0.222E-01 0.154E-01 RMM: 4 -0.331807291279E+03 0.22732E-03 -0.82309E-04 5235 0.556E-02 0.822E-02 RMM: 5 -0.331807256894E+03 0.34385E-04 -0.83299E-05 3552 0.254E-02 0.705E-02 RMM: 6 -0.331807227735E+03 0.29159E-04 -0.24237E-05 2588 0.150E-02 0.395E-02 RMM: 7 -0.331807231546E+03 -0.38103E-05 -0.19936E-05 2509 0.141E-02 8459 T= 6114. E= 0.67576152E+03 F= 0.62446176E+03 E0= 0.65282739E+03 EK= 0.49789E+02 SP= 0.10E+01 SK= 0.46E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332124966056E+03 -0.31774E+00 -0.13808E-01 8160 0.227E+01 0.181E-01 RMM: 2 -0.332143701634E+03 -0.18736E-01 -0.15793E-01 5058 0.867E-01 0.785E-01 RMM: 3 -0.332138483532E+03 0.52181E-02 -0.15234E-02 6038 0.227E-01 0.135E-01 RMM: 4 -0.332138174130E+03 0.30940E-03 -0.72639E-04 4829 0.605E-02 0.117E-01 RMM: 5 -0.332138091148E+03 0.82982E-04 -0.10638E-04 3717 0.269E-02 0.721E-02 RMM: 6 -0.332138060827E+03 0.30321E-04 -0.27904E-05 2648 0.162E-02 0.370E-02 RMM: 7 -0.332138059720E+03 0.11075E-05 -0.21680E-05 2532 0.140E-02 8460 T= 6100. E= 0.67576043E+03 F= 0.62413093E+03 E0= 0.65249274E+03 EK= 0.49675E+02 SP= 0.15E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332738198652E+03 -0.60014E+00 -0.12573E-01 8376 0.228E+01 0.165E-01 RMM: 2 -0.332754123499E+03 -0.15925E-01 -0.13199E-01 5140 0.789E-01 0.743E-01 RMM: 3 -0.332749515284E+03 0.46082E-02 -0.12092E-02 6080 0.205E-01 0.165E-01 RMM: 4 -0.332749156532E+03 0.35875E-03 -0.58126E-04 4608 0.546E-02 0.761E-02 RMM: 5 -0.332749127384E+03 0.29147E-04 -0.83556E-05 3633 0.243E-02 0.630E-02 RMM: 6 -0.332749109124E+03 0.18260E-04 -0.20879E-05 2540 0.139E-02 8461 T= 6122. E= 0.67575650E+03 F= 0.62351988E+03 E0= 0.65187252E+03 EK= 0.49853E+02 SP= 0.20E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333579541883E+03 -0.83041E+00 -0.12006E-01 8520 0.229E+01 0.189E-01 RMM: 2 -0.333596819859E+03 -0.17278E-01 -0.12272E-01 5141 0.759E-01 0.940E-01 RMM: 3 -0.333589922871E+03 0.68970E-02 -0.11644E-02 5764 0.212E-01 0.190E-01 RMM: 4 -0.333589562005E+03 0.36087E-03 -0.73936E-04 4817 0.573E-02 0.780E-02 RMM: 5 -0.333589528202E+03 0.33803E-04 -0.86998E-05 3784 0.233E-02 0.649E-02 RMM: 6 -0.333589515320E+03 0.12882E-04 -0.19044E-05 2537 0.130E-02 8462 T= 6173. E= 0.67575078E+03 F= 0.62267947E+03 E0= 0.65101802E+03 EK= 0.50270E+02 SP= 0.24E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334573248031E+03 -0.98372E+00 -0.11751E-01 8336 0.231E+01 0.305E-01 RMM: 2 -0.334602752428E+03 -0.29504E-01 -0.11654E-01 5142 0.778E-01 0.170E+00 RMM: 3 -0.334582575580E+03 0.20177E-01 -0.14444E-02 5426 0.274E-01 0.317E-01 RMM: 4 -0.334581816792E+03 0.75879E-03 -0.16029E-03 4733 0.835E-02 0.798E-02 RMM: 5 -0.334581804838E+03 0.11954E-04 -0.19320E-04 4116 0.312E-02 8463 T= 6244. E= 0.67574493E+03 F= 0.62168718E+03 E0= 0.65000711E+03 EK= 0.50846E+02 SP= 0.28E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335622240128E+03 -0.10404E+01 -0.11561E-01 8184 0.234E+01 0.211E-01 RMM: 2 -0.335643312687E+03 -0.21073E-01 -0.12148E-01 5098 0.767E-01 0.120E+00 RMM: 3 -0.335632720442E+03 0.10592E-01 -0.12613E-02 5493 0.236E-01 0.251E-01 RMM: 4 -0.335632229993E+03 0.49045E-03 -0.11061E-03 4785 0.691E-02 0.897E-02 RMM: 5 -0.335632191404E+03 0.38589E-04 -0.13347E-04 4057 0.281E-02 0.765E-02 RMM: 6 -0.335632167756E+03 0.23648E-04 -0.24267E-05 2564 0.147E-02 0.583E-02 RMM: 7 -0.335632182933E+03 -0.15177E-04 -0.35695E-05 2840 0.169E-02 8464 T= 6322. E= 0.67573826E+03 F= 0.62063681E+03 E0= 0.64893319E+03 EK= 0.51484E+02 SP= 0.33E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336632764370E+03 -0.10006E+01 -0.12014E-01 7896 0.237E+01 0.235E-01 RMM: 2 -0.336650706734E+03 -0.17942E-01 -0.13396E-01 4822 0.836E-01 0.952E-01 RMM: 3 -0.336644213287E+03 0.64934E-02 -0.15243E-02 5860 0.233E-01 0.194E-01 RMM: 4 -0.336643895446E+03 0.31784E-03 -0.10121E-03 4742 0.729E-02 0.167E-01 RMM: 5 -0.336643774681E+03 0.12077E-03 -0.20184E-04 3879 0.373E-02 0.104E-01 RMM: 6 -0.336643707295E+03 0.67385E-04 -0.61543E-05 3372 0.233E-02 0.288E-02 RMM: 7 -0.336643719871E+03 -0.12576E-04 -0.17677E-05 2529 0.131E-02 8465 T= 6396. E= 0.67573105E+03 F= 0.61962527E+03 E0= 0.64789485E+03 EK= 0.52084E+02 SP= 0.37E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337517419658E+03 -0.87371E+00 -0.11451E-01 7960 0.239E+01 0.165E-01 RMM: 2 -0.337530386983E+03 -0.12967E-01 -0.10986E-01 5082 0.752E-01 0.683E-01 RMM: 3 -0.337526927636E+03 0.34593E-02 -0.11369E-02 6006 0.196E-01 0.129E-01 RMM: 4 -0.337526672618E+03 0.25502E-03 -0.52323E-04 4584 0.521E-02 0.120E-01 RMM: 5 -0.337526563407E+03 0.10921E-03 -0.92223E-05 3628 0.271E-02 0.554E-02 RMM: 6 -0.337526549978E+03 0.13428E-04 -0.22883E-05 2546 0.136E-02 8466 T= 6454. E= 0.67572569E+03 F= 0.61874244E+03 E0= 0.64698091E+03 EK= 0.52557E+02 SP= 0.41E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338198865571E+03 -0.67230E+00 -0.11471E-01 7800 0.241E+01 0.146E-01 RMM: 2 -0.338212596121E+03 -0.13731E-01 -0.11387E-01 4952 0.760E-01 0.692E-01 RMM: 3 -0.338208846210E+03 0.37499E-02 -0.12054E-02 6064 0.197E-01 0.136E-01 RMM: 4 -0.338208528440E+03 0.31777E-03 -0.48602E-04 4604 0.506E-02 0.784E-02 RMM: 5 -0.338208486216E+03 0.42223E-04 -0.61885E-05 3301 0.233E-02 0.618E-02 RMM: 6 -0.338208475551E+03 0.10665E-04 -0.26289E-05 2565 0.154E-02 8467 T= 6487. E= 0.67572187E+03 F= 0.61806051E+03 E0= 0.64626703E+03 EK= 0.52830E+02 SP= 0.45E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338635630130E+03 -0.42714E+00 -0.11176E-01 7592 0.242E+01 0.339E-01 RMM: 2 -0.338665844767E+03 -0.30215E-01 -0.11041E-01 4982 0.796E-01 0.177E+00 RMM: 3 -0.338643869746E+03 0.21975E-01 -0.16046E-02 5402 0.300E-01 0.299E-01 RMM: 4 -0.338643243052E+03 0.62669E-03 -0.17690E-03 4877 0.850E-02 0.106E-01 RMM: 5 -0.338643219378E+03 0.23674E-04 -0.22210E-04 3894 0.361E-02 0.111E-01 RMM: 6 -0.338643138145E+03 0.81233E-04 -0.53763E-05 3234 0.220E-02 0.400E-02 RMM: 7 -0.338643136411E+03 0.17339E-05 -0.17740E-05 2515 0.130E-02 8468 T= 6491. E= 0.67572040E+03 F= 0.61762585E+03 E0= 0.64580061E+03 EK= 0.52857E+02 SP= 0.49E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338807732045E+03 -0.16459E+00 -0.11739E-01 7664 0.242E+01 0.277E-01 RMM: 2 -0.338833828184E+03 -0.26096E-01 -0.11297E-01 4878 0.783E-01 0.155E+00 RMM: 3 -0.338816993315E+03 0.16835E-01 -0.14724E-02 5430 0.277E-01 0.278E-01 RMM: 4 -0.338816456393E+03 0.53692E-03 -0.15033E-03 4831 0.792E-02 0.105E-01 RMM: 5 -0.338816428354E+03 0.28038E-04 -0.18787E-04 3905 0.345E-02 0.103E-01 RMM: 6 -0.338816356038E+03 0.72316E-04 -0.46035E-05 3112 0.202E-02 0.395E-02 RMM: 7 -0.338816358633E+03 -0.25948E-05 -0.20202E-05 2544 0.137E-02 8469 T= 6463. E= 0.67572188E+03 F= 0.61745263E+03 E0= 0.64559723E+03 EK= 0.52627E+02 SP= 0.53E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338743792601E+03 0.72563E-01 -0.11017E-01 7832 0.240E+01 0.206E-01 RMM: 2 -0.338761470323E+03 -0.17678E-01 -0.97070E-02 4888 0.717E-01 0.116E+00 RMM: 3 -0.338751836041E+03 0.96343E-02 -0.10964E-02 5568 0.223E-01 0.183E-01 RMM: 4 -0.338751572611E+03 0.26343E-03 -0.82619E-04 4747 0.602E-02 0.874E-02 RMM: 5 -0.338751541138E+03 0.31472E-04 -0.10485E-04 3749 0.274E-02 0.737E-02 RMM: 6 -0.338751508249E+03 0.32889E-04 -0.26228E-05 2653 0.156E-02 0.380E-02 RMM: 7 -0.338751509959E+03 -0.17097E-05 -0.15213E-05 2502 0.125E-02 8470 T= 6406. E= 0.67572575E+03 F= 0.61751748E+03 E0= 0.64563524E+03 EK= 0.52165E+02 SP= 0.57E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338498511452E+03 0.25300E+00 -0.11071E-01 7712 0.238E+01 0.190E-01 RMM: 2 -0.338512122363E+03 -0.13611E-01 -0.99795E-02 4867 0.754E-01 0.857E-01 RMM: 3 -0.338506987278E+03 0.51351E-02 -0.11725E-02 5816 0.214E-01 0.148E-01 RMM: 4 -0.338506757952E+03 0.22933E-03 -0.69235E-04 4698 0.591E-02 0.108E-01 RMM: 5 -0.338506682636E+03 0.75316E-04 -0.96805E-05 3654 0.268E-02 0.656E-02 RMM: 6 -0.338506658680E+03 0.23956E-04 -0.23200E-05 2550 0.147E-02 0.352E-02 RMM: 7 -0.338506656363E+03 0.23169E-05 -0.13851E-05 2485 0.117E-02 8471 T= 6328. E= 0.67573166E+03 F= 0.61776233E+03 E0= 0.64585838E+03 EK= 0.51533E+02 SP= 0.61E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338156410794E+03 0.35025E+00 -0.10796E-01 7600 0.235E+01 0.142E-01 RMM: 2 -0.338167326908E+03 -0.10916E-01 -0.87070E-02 5018 0.681E-01 0.680E-01 RMM: 3 -0.338163862591E+03 0.34643E-02 -0.88787E-03 5915 0.177E-01 0.127E-01 RMM: 4 -0.338163678555E+03 0.18404E-03 -0.44092E-04 4426 0.502E-02 0.957E-02 RMM: 5 -0.338163620792E+03 0.57762E-04 -0.65466E-05 3366 0.248E-02 0.566E-02 RMM: 6 -0.338163605493E+03 0.15300E-04 -0.19955E-05 2518 0.134E-02 8472 T= 6240. E= 0.67573861E+03 F= 0.61810538E+03 E0= 0.64618524E+03 EK= 0.50815E+02 SP= 0.65E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337805582887E+03 0.35804E+00 -0.10275E-01 7432 0.233E+01 0.205E-01 RMM: 2 -0.337819425215E+03 -0.13842E-01 -0.79252E-02 4973 0.675E-01 0.103E+00 RMM: 3 -0.337812146755E+03 0.72785E-02 -0.94638E-03 5515 0.210E-01 0.184E-01 RMM: 4 -0.337811888724E+03 0.25803E-03 -0.71783E-04 4721 0.562E-02 0.805E-02 RMM: 5 -0.337811854772E+03 0.33952E-04 -0.85846E-05 3661 0.261E-02 0.656E-02 RMM: 6 -0.337811832905E+03 0.21867E-04 -0.22584E-05 2553 0.143E-02 0.473E-02 RMM: 7 -0.337811839883E+03 -0.69782E-05 -0.23098E-05 2532 0.148E-02 8473 T= 6153. E= 0.67574504E+03 F= 0.61845715E+03 E0= 0.64652699E+03 EK= 0.50103E+02 SP= 0.69E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337527189225E+03 0.28464E+00 -0.99599E-02 7208 0.230E+01 0.201E-01 RMM: 2 -0.337539668693E+03 -0.12479E-01 -0.76524E-02 4939 0.668E-01 0.948E-01 RMM: 3 -0.337533400303E+03 0.62684E-02 -0.89371E-03 5497 0.203E-01 0.159E-01 RMM: 4 -0.337533278694E+03 0.12161E-03 -0.76402E-04 4648 0.611E-02 0.126E-01 RMM: 5 -0.337533223144E+03 0.55550E-04 -0.12504E-04 3795 0.303E-02 0.931E-02 RMM: 6 -0.337533166916E+03 0.56228E-04 -0.36445E-05 2996 0.188E-02 0.239E-02 RMM: 7 -0.337533168858E+03 -0.19419E-05 -0.11603E-05 2484 0.108E-02 8474 T= 6076. E= 0.67575000E+03 F= 0.61873582E+03 E0= 0.64680092E+03 EK= 0.49480E+02 SP= 0.73E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337379167565E+03 0.15400E+00 -0.10006E-01 7592 0.228E+01 0.182E-01 RMM: 2 -0.337392710049E+03 -0.13542E-01 -0.81278E-02 4956 0.680E-01 0.984E-01 RMM: 3 -0.337386005194E+03 0.67049E-02 -0.88732E-03 5589 0.196E-01 0.173E-01 RMM: 4 -0.337385748737E+03 0.25646E-03 -0.61917E-04 4687 0.555E-02 0.785E-02 RMM: 5 -0.337385717064E+03 0.31673E-04 -0.85805E-05 3616 0.259E-02 0.642E-02 RMM: 6 -0.337385693376E+03 0.23688E-04 -0.23513E-05 2567 0.148E-02 0.383E-02 RMM: 7 -0.337385693465E+03 -0.89207E-07 -0.16877E-05 2497 0.126E-02 8475 T= 6018. E= 0.67575246E+03 F= 0.61888330E+03 E0= 0.64694928E+03 EK= 0.49004E+02 SP= 0.76E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337387072889E+03 -0.13795E-02 -0.10107E-01 7800 0.226E+01 0.132E-01 RMM: 2 -0.337396283884E+03 -0.92110E-02 -0.78267E-02 4934 0.653E-01 0.565E-01 RMM: 3 -0.337393783591E+03 0.25003E-02 -0.84215E-03 5869 0.177E-01 0.105E-01 RMM: 4 -0.337393647785E+03 0.13581E-03 -0.38785E-04 4534 0.454E-02 0.830E-02 RMM: 5 -0.337393604084E+03 0.43701E-04 -0.49125E-05 3139 0.219E-02 0.523E-02 RMM: 6 -0.337393594118E+03 0.99658E-05 -0.18976E-05 2506 0.136E-02 8476 T= 5980. E= 0.67575236E+03 F= 0.61887540E+03 E0= 0.64694505E+03 EK= 0.48701E+02 SP= 0.80E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337540673734E+03 -0.14707E+00 -0.10138E-01 8032 0.225E+01 0.160E-01 RMM: 2 -0.337551586512E+03 -0.10913E-01 -0.80103E-02 5096 0.639E-01 0.752E-01 RMM: 3 -0.337547282007E+03 0.43045E-02 -0.79041E-03 5668 0.183E-01 0.143E-01 RMM: 4 -0.337547103899E+03 0.17811E-03 -0.49709E-04 4607 0.482E-02 0.756E-02 RMM: 5 -0.337547067093E+03 0.36806E-04 -0.52721E-05 3147 0.204E-02 0.633E-02 RMM: 6 -0.337547056078E+03 0.11014E-04 -0.19747E-05 2510 0.140E-02 8477 T= 5963. E= 0.67575047E+03 F= 0.61872193E+03 E0= 0.64679787E+03 EK= 0.48561E+02 SP= 0.83E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337802885110E+03 -0.25582E+00 -0.10411E-01 8288 0.225E+01 0.255E-01 RMM: 2 -0.337823206547E+03 -0.20321E-01 -0.84954E-02 5113 0.679E-01 0.137E+00 RMM: 3 -0.337809527489E+03 0.13679E-01 -0.10651E-02 5397 0.240E-01 0.244E-01 RMM: 4 -0.337809102429E+03 0.42506E-03 -0.10915E-03 4815 0.664E-02 0.755E-02 RMM: 5 -0.337809073635E+03 0.28794E-04 -0.10333E-04 3984 0.256E-02 0.748E-02 RMM: 6 -0.337809051759E+03 0.21875E-04 -0.18942E-05 2534 0.130E-02 0.551E-02 RMM: 7 -0.337809060978E+03 -0.92191E-05 -0.25775E-05 2630 0.156E-02 8478 T= 5962. E= 0.67574674E+03 F= 0.61845993E+03 E0= 0.64654446E+03 EK= 0.48548E+02 SP= 0.86E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338117203556E+03 -0.30815E+00 -0.10567E-01 8336 0.226E+01 0.267E-01 RMM: 2 -0.338138545417E+03 -0.21342E-01 -0.93268E-02 5132 0.693E-01 0.142E+00 RMM: 3 -0.338124353696E+03 0.14192E-01 -0.10867E-02 5406 0.240E-01 0.263E-01 RMM: 4 -0.338123901648E+03 0.45205E-03 -0.13159E-03 4675 0.782E-02 0.118E-01 RMM: 5 -0.338123920149E+03 -0.18500E-04 -0.20779E-04 3886 0.370E-02 0.132E-01 RMM: 6 -0.338123798447E+03 0.12170E-03 -0.67667E-05 3433 0.246E-02 0.330E-02 RMM: 7 -0.338123799161E+03 -0.71402E-06 -0.17425E-05 2521 0.128E-02 8479 T= 5969. E= 0.67574250E+03 F= 0.61814519E+03 E0= 0.64624048E+03 EK= 0.48605E+02 SP= 0.89E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338420102499E+03 -0.29630E+00 -0.10911E-01 8480 0.226E+01 0.190E-01 RMM: 2 -0.338435430099E+03 -0.15328E-01 -0.10228E-01 5216 0.696E-01 0.958E-01 RMM: 3 -0.338428402201E+03 0.70279E-02 -0.95485E-03 5592 0.205E-01 0.175E-01 RMM: 4 -0.338428174817E+03 0.22738E-03 -0.73637E-04 4879 0.555E-02 0.909E-02 RMM: 5 -0.338428106763E+03 0.68054E-04 -0.85689E-05 3684 0.243E-02 0.671E-02 RMM: 6 -0.338428085430E+03 0.21333E-04 -0.21686E-05 2551 0.140E-02 0.500E-02 RMM: 7 -0.338428078027E+03 0.74026E-05 -0.25051E-05 2606 0.140E-02 8480 T= 5977. E= 0.67573814E+03 F= 0.61784091E+03 E0= 0.64594751E+03 EK= 0.48670E+02 SP= 0.91E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338655285641E+03 -0.22720E+00 -0.11377E-01 8400 0.227E+01 0.161E-01 RMM: 2 -0.338668044245E+03 -0.12759E-01 -0.10546E-01 5185 0.704E-01 0.721E-01 RMM: 3 -0.338663881995E+03 0.41623E-02 -0.94647E-03 6144 0.186E-01 0.140E-01 RMM: 4 -0.338663639691E+03 0.24230E-03 -0.49002E-04 4556 0.488E-02 0.876E-02 RMM: 5 -0.338663586701E+03 0.52991E-04 -0.64633E-05 3400 0.233E-02 0.578E-02 RMM: 6 -0.338663574066E+03 0.12635E-04 -0.20930E-05 2539 0.138E-02 8481 T= 5979. E= 0.67573436E+03 F= 0.61760542E+03 E0= 0.64572558E+03 EK= 0.48686E+02 SP= 0.93E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338780563776E+03 -0.11698E+00 -0.12355E-01 8088 0.228E+01 0.207E-01 RMM: 2 -0.338801924656E+03 -0.21361E-01 -0.14159E-01 4971 0.831E-01 0.110E+00 RMM: 3 -0.338792568817E+03 0.93558E-02 -0.14752E-02 5743 0.241E-01 0.202E-01 RMM: 4 -0.338792143602E+03 0.42522E-03 -0.93295E-04 4824 0.650E-02 0.872E-02 RMM: 5 -0.338792085731E+03 0.57870E-04 -0.11176E-04 4107 0.262E-02 0.692E-02 RMM: 6 -0.338792066379E+03 0.19353E-04 -0.21584E-05 2547 0.137E-02 8482 T= 5970. E= 0.67573276E+03 F= 0.61747692E+03 E0= 0.64561055E+03 EK= 0.48614E+02 SP= 0.96E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338802456173E+03 -0.10370E-01 -0.12685E-01 8392 0.229E+01 0.354E-01 RMM: 2 -0.338840162024E+03 -0.37706E-01 -0.14383E-01 4979 0.878E-01 0.195E+00 RMM: 3 -0.338813695644E+03 0.26466E-01 -0.18942E-02 5429 0.318E-01 0.370E-01 RMM: 4 -0.338812653194E+03 0.10424E-02 -0.20741E-03 4972 0.936E-02 0.938E-02 RMM: 5 -0.338812610668E+03 0.42526E-04 -0.25025E-04 4755 0.308E-02 0.933E-02 RMM: 6 -0.338812563638E+03 0.47031E-04 -0.29157E-05 2657 0.162E-02 0.684E-02 RMM: 7 -0.338812599012E+03 -0.35375E-04 -0.73530E-05 3518 0.224E-02 0.114E-01 RMM: 8 -0.338812512318E+03 0.86695E-04 -0.15849E-04 3908 0.256E-02 0.456E-02 RMM: 9 -0.338812501158E+03 0.11160E-04 -0.23714E-05 2611 0.129E-02 8483 T= 5951. E= 0.67573444E+03 F= 0.61745649E+03 E0= 0.64560366E+03 EK= 0.48458E+02 SP= 0.98E+01 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338757665355E+03 0.54847E-01 -0.13903E-01 8144 0.228E+01 0.308E-01 RMM: 2 -0.338787874872E+03 -0.30210E-01 -0.16494E-01 5006 0.901E-01 0.151E+00 RMM: 3 -0.338770863020E+03 0.17012E-01 -0.17794E-02 5507 0.286E-01 0.300E-01 RMM: 4 -0.338770359409E+03 0.50361E-03 -0.20741E-03 5127 0.101E-01 0.197E-01 RMM: 5 -0.338770235146E+03 0.12426E-03 -0.32730E-04 3928 0.441E-02 0.150E-01 RMM: 6 -0.338770084860E+03 0.15029E-03 -0.84128E-05 3590 0.262E-02 0.442E-02 RMM: 7 -0.338770104686E+03 -0.19826E-04 -0.33279E-05 2844 0.168E-02 8484 T= 5926. E= 0.67573964E+03 F= 0.61749888E+03 E0= 0.64565970E+03 EK= 0.48261E+02 SP= 0.99E+01 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338741431434E+03 0.28653E-01 -0.13083E-01 8456 0.227E+01 0.224E-01 RMM: 2 -0.338761804678E+03 -0.20373E-01 -0.14346E-01 5115 0.858E-01 0.105E+00 RMM: 3 -0.338753582871E+03 0.82218E-02 -0.15241E-02 5800 0.242E-01 0.230E-01 RMM: 4 -0.338753064833E+03 0.51804E-03 -0.95064E-04 4803 0.665E-02 0.954E-02 RMM: 5 -0.338753012062E+03 0.52771E-04 -0.12312E-04 4006 0.281E-02 0.857E-02 RMM: 6 -0.338752985682E+03 0.26381E-04 -0.27460E-05 2589 0.158E-02 0.680E-02 RMM: 7 -0.338752992456E+03 -0.67742E-05 -0.57780E-05 3281 0.207E-02 8485 T= 5908. E= 0.67574553E+03 F= 0.61751600E+03 E0= 0.64569086E+03 EK= 0.48111E+02 SP= 0.10E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338849896312E+03 -0.96911E-01 -0.11937E-01 8352 0.226E+01 0.217E-01 RMM: 2 -0.338868292857E+03 -0.18397E-01 -0.12120E-01 5039 0.790E-01 0.105E+00 RMM: 3 -0.338860145295E+03 0.81476E-02 -0.12872E-02 5715 0.229E-01 0.205E-01 RMM: 4 -0.338859783927E+03 0.36137E-03 -0.92291E-04 4691 0.670E-02 0.108E-01 RMM: 5 -0.338859736063E+03 0.47864E-04 -0.13662E-04 3826 0.303E-02 0.855E-02 RMM: 6 -0.338859693089E+03 0.42973E-04 -0.32014E-05 2838 0.173E-02 0.458E-02 RMM: 7 -0.338859696515E+03 -0.34259E-05 -0.20297E-05 2520 0.142E-02 8486 T= 5907. E= 0.67574851E+03 F= 0.61740929E+03 E0= 0.64559848E+03 EK= 0.48103E+02 SP= 0.10E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339133804401E+03 -0.27411E+00 -0.11163E-01 8152 0.226E+01 0.189E-01 RMM: 2 -0.339148161453E+03 -0.14357E-01 -0.10914E-01 5059 0.748E-01 0.825E-01 RMM: 3 -0.339142837230E+03 0.53242E-02 -0.10986E-02 5737 0.209E-01 0.155E-01 RMM: 4 -0.339142608483E+03 0.22875E-03 -0.69487E-04 4784 0.567E-02 0.103E-01 RMM: 5 -0.339142543452E+03 0.65031E-04 -0.94176E-05 3688 0.261E-02 0.690E-02 RMM: 6 -0.339142521845E+03 0.21608E-04 -0.25666E-05 2589 0.153E-02 0.474E-02 RMM: 7 -0.339142525291E+03 -0.34458E-05 -0.23740E-05 2572 0.148E-02 8487 T= 5929. E= 0.67574574E+03 F= 0.61712646E+03 E0= 0.64533288E+03 EK= 0.48286E+02 SP= 0.10E+02 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339558332784E+03 -0.41581E+00 -0.10785E-01 8504 0.227E+01 0.169E-01 RMM: 2 -0.339571104385E+03 -0.12772E-01 -0.89088E-02 5134 0.664E-01 0.846E-01 RMM: 3 -0.339565683384E+03 0.54210E-02 -0.82911E-03 5616 0.188E-01 0.129E-01 RMM: 4 -0.339565567894E+03 0.11549E-03 -0.57454E-04 4718 0.509E-02 0.109E-01 RMM: 5 -0.339565494342E+03 0.73552E-04 -0.77958E-05 3574 0.251E-02 0.577E-02 RMM: 6 -0.339565484010E+03 0.10333E-04 -0.24059E-05 2570 0.148E-02 8488 T= 5971. E= 0.67573757E+03 F= 0.61670351E+03 E0= 0.64492852E+03 EK= 0.48623E+02 SP= 0.10E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340000586235E+03 -0.43509E+00 -0.12513E-01 8680 0.230E+01 0.212E-01 RMM: 2 -0.340020586138E+03 -0.20000E-01 -0.10605E-01 5207 0.724E-01 0.122E+00 RMM: 3 -0.340009419587E+03 0.11167E-01 -0.10578E-02 5430 0.227E-01 0.176E-01 RMM: 4 -0.340009229565E+03 0.19002E-03 -0.10183E-03 5037 0.611E-02 0.108E-01 RMM: 5 -0.340009155539E+03 0.74026E-04 -0.95862E-05 3773 0.266E-02 0.721E-02 RMM: 6 -0.340009141170E+03 0.14370E-04 -0.21967E-05 2550 0.139E-02 8489 T= 6017. E= 0.67572746E+03 F= 0.61625985E+03 E0= 0.64450563E+03 EK= 0.48997E+02 SP= 0.10E+02 SK= 0.62E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340311697950E+03 -0.30254E+00 -0.13882E-01 8872 0.232E+01 0.360E-01 RMM: 2 -0.340352127076E+03 -0.40429E-01 -0.12518E-01 5211 0.823E-01 0.213E+00 RMM: 3 -0.340321099452E+03 0.31028E-01 -0.17084E-02 5357 0.317E-01 0.312E-01 RMM: 4 -0.340320428740E+03 0.67071E-03 -0.19893E-03 5013 0.853E-02 0.115E-01 RMM: 5 -0.340320363681E+03 0.65060E-04 -0.17877E-04 3918 0.341E-02 0.101E-01 RMM: 6 -0.340320327363E+03 0.36317E-04 -0.35135E-05 2711 0.180E-02 0.775E-02 RMM: 7 -0.340320359227E+03 -0.31864E-04 -0.52065E-05 3243 0.208E-02 0.103E-01 RMM: 8 -0.340320294410E+03 0.64817E-04 -0.10872E-04 3900 0.232E-02 0.406E-02 RMM: 9 -0.340320304854E+03 -0.10444E-04 -0.31837E-05 2879 0.164E-02 8490 T= 6049. E= 0.67571913E+03 F= 0.61594868E+03 E0= 0.64421745E+03 EK= 0.49257E+02 SP= 0.11E+02 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340360682668E+03 -0.40388E-01 -0.14572E-01 9040 0.234E+01 0.267E-01 RMM: 2 -0.340382686392E+03 -0.22004E-01 -0.12630E-01 5294 0.761E-01 0.125E+00 RMM: 3 -0.340371185922E+03 0.11500E-01 -0.12185E-02 5381 0.253E-01 0.290E-01 RMM: 4 -0.340370868273E+03 0.31765E-03 -0.16943E-03 4878 0.906E-02 0.196E-01 RMM: 5 -0.340370630193E+03 0.23808E-03 -0.27748E-04 3914 0.432E-02 0.104E-01 RMM: 6 -0.340370565413E+03 0.64781E-04 -0.54293E-05 3256 0.217E-02 0.455E-02 RMM: 7 -0.340370579948E+03 -0.14535E-04 -0.39295E-05 2807 0.179E-02 8491 T= 6051. E= 0.67571461E+03 F= 0.61589841E+03 E0= 0.64418806E+03 EK= 0.49276E+02 SP= 0.11E+02 SK= 0.84E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.340078458680E+03 0.29211E+00 -0.15366E-01 9144 0.235E+01 0.182E-01 RMM: 2 -0.340095732426E+03 -0.17274E-01 -0.12633E-01 5303 0.756E-01 0.920E-01 RMM: 3 -0.340089074487E+03 0.66579E-02 -0.10114E-02 5704 0.208E-01 0.179E-01 RMM: 4 -0.340088821063E+03 0.25342E-03 -0.69427E-04 5026 0.537E-02 0.947E-02 RMM: 5 -0.340088778653E+03 0.42410E-04 -0.68420E-05 3485 0.234E-02 0.808E-02 RMM: 6 -0.340088773532E+03 0.51207E-05 -0.21605E-05 2543 0.137E-02 8492 T= 6015. E= 0.67571394E+03 F= 0.61618022E+03 E0= 0.64448777E+03 EK= 0.48982E+02 SP= 0.11E+02 SK= 0.13E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.339461178688E+03 0.62760E+00 -0.16459E-01 8944 0.234E+01 0.257E-01 RMM: 2 -0.339488119501E+03 -0.26941E-01 -0.13686E-01 5155 0.797E-01 0.146E+00 RMM: 3 -0.339472443592E+03 0.15676E-01 -0.13892E-02 5400 0.266E-01 0.217E-01 RMM: 4 -0.339472125960E+03 0.31763E-03 -0.14685E-03 5455 0.675E-02 0.988E-02 RMM: 5 -0.339472055308E+03 0.70652E-04 -0.91163E-05 3670 0.275E-02 0.825E-02 RMM: 6 -0.339472038405E+03 0.16903E-04 -0.25404E-05 2562 0.151E-02 8493 T= 5940. E= 0.67571750E+03 F= 0.61679695E+03 E0= 0.64511900E+03 EK= 0.48375E+02 SP= 0.11E+02 SK= 0.61E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.338577457082E+03 0.89460E+00 -0.17029E-01 8872 0.233E+01 0.470E-01 RMM: 2 -0.338634072422E+03 -0.56615E-01 -0.15625E-01 4918 0.926E-01 0.255E+00 RMM: 3 -0.338589223790E+03 0.44849E-01 -0.26277E-02 5334 0.397E-01 0.500E-01 RMM: 4 -0.338587389873E+03 0.18339E-02 -0.32114E-03 5362 0.116E-01 0.983E-02 RMM: 5 -0.338587382996E+03 0.68771E-05 -0.38338E-04 4854 0.334E-02 0.112E-01 RMM: 6 -0.338587307696E+03 0.75300E-04 -0.38008E-05 2868 0.180E-02 0.683E-02 RMM: 7 -0.338587363785E+03 -0.56089E-04 -0.83414E-05 3638 0.234E-02 0.114E-01 RMM: 8 -0.338587299431E+03 0.64354E-04 -0.13168E-04 3887 0.246E-02 0.532E-02 RMM: 9 -0.338587283098E+03 0.16332E-04 -0.21750E-05 2609 0.124E-02 8494 T= 5836. E= 0.67572533E+03 F= 0.61768171E+03 E0= 0.64601330E+03 EK= 0.47524E+02 SP= 0.11E+02 SK= 0.34E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.337548222664E+03 0.10391E+01 -0.17878E-01 8856 0.230E+01 0.404E-01 RMM: 2 -0.337597852353E+03 -0.49630E-01 -0.16344E-01 4997 0.907E-01 0.227E+00 RMM: 3 -0.337560850848E+03 0.37002E-01 -0.22374E-02 5374 0.355E-01 0.364E-01 RMM: 4 -0.337560035230E+03 0.81562E-03 -0.27475E-03 5259 0.107E-01 0.168E-01 RMM: 5 -0.337560048754E+03 -0.13524E-04 -0.35765E-04 3926 0.427E-02 0.180E-01 RMM: 6 -0.337559844640E+03 0.20411E-03 -0.11665E-04 3822 0.305E-02 0.557E-02 RMM: 7 -0.337559880321E+03 -0.35681E-04 -0.54909E-05 3300 0.201E-02 0.872E-02 RMM: 8 -0.337559850791E+03 0.29531E-04 -0.51533E-05 3047 0.204E-02 0.369E-02 RMM: 9 -0.337559849604E+03 0.11866E-05 -0.19184E-05 2535 0.129E-02 8495 T= 5717. E= 0.67573622E+03 F= 0.61870914E+03 E0= 0.64704495E+03 EK= 0.46555E+02 SP= 0.10E+02 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336537229513E+03 0.10226E+01 -0.16433E-01 9016 0.227E+01 0.224E-01 RMM: 2 -0.336557738741E+03 -0.20509E-01 -0.14044E-01 4924 0.861E-01 0.108E+00 RMM: 3 -0.336549485809E+03 0.82529E-02 -0.15632E-02 5701 0.254E-01 0.246E-01 RMM: 4 -0.336548961102E+03 0.52471E-03 -0.11328E-03 4775 0.727E-02 0.926E-02 RMM: 5 -0.336548909929E+03 0.51173E-04 -0.15885E-04 4175 0.301E-02 0.788E-02 RMM: 6 -0.336548874702E+03 0.35227E-04 -0.28437E-05 2634 0.160E-02 0.477E-02 RMM: 7 -0.336548876670E+03 -0.19682E-05 -0.31751E-05 2648 0.171E-02 8496 T= 5603. E= 0.67574621E+03 F= 0.61972011E+03 E0= 0.64805627E+03 EK= 0.45626E+02 SP= 0.10E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335691013721E+03 0.85786E+00 -0.14370E-01 8496 0.224E+01 0.208E-01 RMM: 2 -0.335710018727E+03 -0.19005E-01 -0.13258E-01 4912 0.851E-01 0.103E+00 RMM: 3 -0.335702599540E+03 0.74192E-02 -0.15138E-02 5854 0.240E-01 0.208E-01 RMM: 4 -0.335702125901E+03 0.47364E-03 -0.89737E-04 4906 0.645E-02 0.776E-02 RMM: 5 -0.335702095898E+03 0.30003E-04 -0.11085E-04 4015 0.265E-02 0.688E-02 RMM: 6 -0.335702080416E+03 0.15482E-04 -0.21020E-05 2541 0.135E-02 8497 T= 5512. E= 0.67575234E+03 F= 0.62056691E+03 E0= 0.64890031E+03 EK= 0.44886E+02 SP= 0.10E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335101402631E+03 0.60069E+00 -0.12095E-01 7968 0.222E+01 0.263E-01 RMM: 2 -0.335123849149E+03 -0.22447E-01 -0.11522E-01 4878 0.795E-01 0.136E+00 RMM: 3 -0.335111068451E+03 0.12781E-01 -0.14376E-02 5484 0.261E-01 0.255E-01 RMM: 4 -0.335110575092E+03 0.49336E-03 -0.13095E-03 4959 0.706E-02 0.941E-02 RMM: 5 -0.335110529433E+03 0.45659E-04 -0.14554E-04 3942 0.306E-02 0.773E-02 RMM: 6 -0.335110503049E+03 0.26384E-04 -0.29753E-05 2643 0.159E-02 0.609E-02 RMM: 7 -0.335110531228E+03 -0.28178E-04 -0.55128E-05 3334 0.207E-02 0.936E-02 RMM: 8 -0.335110483645E+03 0.47583E-04 -0.95840E-05 3893 0.213E-02 0.453E-02 RMM: 9 -0.335110472297E+03 0.11348E-04 -0.18355E-05 2539 0.127E-02 8498 T= 5456. E= 0.67575358E+03 F= 0.62115852E+03 E0= 0.64948621E+03 EK= 0.44427E+02 SP= 0.10E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334783111925E+03 0.32737E+00 -0.10817E-01 7816 0.221E+01 0.277E-01 RMM: 2 -0.334802231339E+03 -0.19119E-01 -0.90085E-02 4868 0.711E-01 0.132E+00 RMM: 3 -0.334790276933E+03 0.11954E-01 -0.11787E-02 5456 0.243E-01 0.271E-01 RMM: 4 -0.334789817612E+03 0.45932E-03 -0.13387E-03 4716 0.792E-02 0.132E-01 RMM: 5 -0.334789807611E+03 0.10001E-04 -0.21427E-04 3894 0.357E-02 0.135E-01 RMM: 6 -0.334789689544E+03 0.11807E-03 -0.72474E-05 3478 0.252E-02 0.374E-02 RMM: 7 -0.334789698696E+03 -0.91519E-05 -0.23950E-05 2575 0.145E-02 8499 T= 5436. E= 0.67575039E+03 F= 0.62147929E+03 E0= 0.64980042E+03 EK= 0.44267E+02 SP= 0.99E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334681844038E+03 0.10785E+00 -0.10860E-01 8040 0.221E+01 0.209E-01 RMM: 2 -0.334697629497E+03 -0.15785E-01 -0.86957E-02 5001 0.679E-01 0.111E+00 RMM: 3 -0.334689013969E+03 0.86155E-02 -0.98860E-03 5556 0.210E-01 0.202E-01 RMM: 4 -0.334688685354E+03 0.32861E-03 -0.82840E-04 4776 0.593E-02 0.748E-02 RMM: 5 -0.334688666738E+03 0.18616E-04 -0.10036E-04 3787 0.256E-02 8500 T= 5447. E= 0.67574510E+03 F= 0.62158032E+03 E0= 0.64989435E+03 EK= 0.44359E+02 SP= 0.97E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334711001287E+03 -0.22316E-01 -0.11407E-01 8560 0.222E+01 0.164E-01 RMM: 2 -0.334723284262E+03 -0.12283E-01 -0.99524E-02 5083 0.693E-01 0.706E-01 RMM: 3 -0.334719406097E+03 0.38782E-02 -0.99549E-03 5857 0.191E-01 0.158E-01 RMM: 4 -0.334719136448E+03 0.26965E-03 -0.54197E-04 4938 0.480E-02 0.957E-02 RMM: 5 -0.334719088810E+03 0.47637E-04 -0.53243E-05 2962 0.212E-02 0.852E-02 RMM: 6 -0.334719083243E+03 0.55673E-05 -0.36546E-05 2883 0.176E-02 8501 T= 5479. E= 0.67573966E+03 F= 0.62154991E+03 E0= 0.64985893E+03 EK= 0.44617E+02 SP= 0.94E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334780103110E+03 -0.61014E-01 -0.12397E-01 8304 0.223E+01 0.357E-01 RMM: 2 -0.334816597572E+03 -0.36494E-01 -0.13272E-01 4857 0.815E-01 0.192E+00 RMM: 3 -0.334790303777E+03 0.26294E-01 -0.18149E-02 5397 0.310E-01 0.341E-01 RMM: 4 -0.334789496661E+03 0.80712E-03 -0.21702E-03 4987 0.934E-02 0.114E-01 RMM: 5 -0.334789496418E+03 0.24335E-06 -0.26333E-04 3997 0.366E-02 0.125E-01 RMM: 6 -0.334789395504E+03 0.10091E-03 -0.64967E-05 3382 0.229E-02 0.414E-02 RMM: 7 -0.334789402115E+03 -0.66111E-05 -0.25257E-05 2619 0.154E-02 8502 T= 5520. E= 0.67573468E+03 F= 0.62147959E+03 E0= 0.64978618E+03 EK= 0.44949E+02 SP= 0.91E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334814047183E+03 -0.24652E-01 -0.12765E-01 8808 0.223E+01 0.353E-01 RMM: 2 -0.334853019406E+03 -0.38972E-01 -0.13727E-01 5127 0.809E-01 0.199E+00 RMM: 3 -0.334824710160E+03 0.28309E-01 -0.17982E-02 5394 0.309E-01 0.367E-01 RMM: 4 -0.334823699643E+03 0.10105E-02 -0.22009E-03 4915 0.970E-02 0.126E-01 RMM: 5 -0.334823627659E+03 0.71985E-04 -0.26394E-04 3954 0.377E-02 0.108E-01 RMM: 6 -0.334823549527E+03 0.78131E-04 -0.51335E-05 3203 0.207E-02 0.598E-02 RMM: 7 -0.334823546357E+03 0.31703E-05 -0.30176E-05 2652 0.154E-02 8503 T= 5560. E= 0.67573162E+03 F= 0.62144544E+03 E0= 0.64975072E+03 EK= 0.45281E+02 SP= 0.87E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334760842880E+03 0.62707E-01 -0.13473E-01 8776 0.223E+01 0.199E-01 RMM: 2 -0.334781702790E+03 -0.20860E-01 -0.14789E-01 4929 0.811E-01 0.103E+00 RMM: 3 -0.334773409058E+03 0.82937E-02 -0.14841E-02 5640 0.240E-01 0.205E-01 RMM: 4 -0.334773002689E+03 0.40637E-03 -0.10578E-03 5191 0.637E-02 0.872E-02 RMM: 5 -0.334772960212E+03 0.42477E-04 -0.99615E-05 3733 0.261E-02 0.708E-02 RMM: 6 -0.334772943721E+03 0.16491E-04 -0.21462E-05 2561 0.136E-02 8504 T= 5595. E= 0.67573076E+03 F= 0.62149605E+03 E0= 0.64980321E+03 EK= 0.45564E+02 SP= 0.83E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334607045414E+03 0.16591E+00 -0.14048E-01 8904 0.223E+01 0.248E-01 RMM: 2 -0.334631846775E+03 -0.24801E-01 -0.14351E-01 5158 0.787E-01 0.131E+00 RMM: 3 -0.334618729086E+03 0.13118E-01 -0.14295E-02 5539 0.246E-01 0.251E-01 RMM: 4 -0.334618195412E+03 0.53367E-03 -0.12580E-03 4907 0.717E-02 0.976E-02 RMM: 5 -0.334618136750E+03 0.58661E-04 -0.13499E-04 4366 0.256E-02 0.840E-02 RMM: 6 -0.334618118076E+03 0.18674E-04 -0.20733E-05 2554 0.139E-02 8505 T= 5621. E= 0.67573119E+03 F= 0.62165087E+03 E0= 0.64996030E+03 EK= 0.45775E+02 SP= 0.79E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334351515742E+03 0.26662E+00 -0.15088E-01 8936 0.223E+01 0.374E-01 RMM: 2 -0.334398250532E+03 -0.46735E-01 -0.15509E-01 4987 0.841E-01 0.220E+00 RMM: 3 -0.334363532609E+03 0.34718E-01 -0.20670E-02 5384 0.337E-01 0.374E-01 RMM: 4 -0.334362517559E+03 0.10150E-02 -0.24610E-03 5170 0.985E-02 0.956E-02 RMM: 5 -0.334362492601E+03 0.24958E-04 -0.27019E-04 4536 0.322E-02 0.987E-02 RMM: 6 -0.334362438468E+03 0.54133E-04 -0.32358E-05 2831 0.170E-02 0.584E-02 RMM: 7 -0.334362450624E+03 -0.12156E-04 -0.30323E-05 2723 0.163E-02 8506 T= 5639. E= 0.67573208E+03 F= 0.62190654E+03 E0= 0.65021892E+03 EK= 0.45917E+02 SP= 0.75E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334013389897E+03 0.34905E+00 -0.14693E-01 9008 0.222E+01 0.382E-01 RMM: 2 -0.334058167622E+03 -0.44778E-01 -0.14753E-01 5165 0.794E-01 0.217E+00 RMM: 3 -0.334024389162E+03 0.33778E-01 -0.18071E-02 5391 0.314E-01 0.329E-01 RMM: 4 -0.334023683027E+03 0.70614E-03 -0.23015E-03 4982 0.985E-02 0.143E-01 RMM: 5 -0.334023747931E+03 -0.64904E-04 -0.33592E-04 3914 0.432E-02 0.171E-01 RMM: 6 -0.334023553650E+03 0.19428E-03 -0.11034E-04 3791 0.296E-02 0.465E-02 RMM: 7 -0.334023556828E+03 -0.31774E-05 -0.28605E-05 2763 0.156E-02 8507 T= 5649. E= 0.67573398E+03 F= 0.62224543E+03 E0= 0.65055941E+03 EK= 0.46006E+02 SP= 0.70E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333615723335E+03 0.40783E+00 -0.15334E-01 9032 0.222E+01 0.305E-01 RMM: 2 -0.333651227460E+03 -0.35504E-01 -0.14422E-01 5381 0.780E-01 0.185E+00 RMM: 3 -0.333626938415E+03 0.24289E-01 -0.13922E-02 5411 0.269E-01 0.270E-01 RMM: 4 -0.333626409806E+03 0.52861E-03 -0.15836E-03 4895 0.775E-02 0.940E-02 RMM: 5 -0.333626366795E+03 0.43010E-04 -0.17310E-04 3925 0.323E-02 0.870E-02 RMM: 6 -0.333626316326E+03 0.50470E-04 -0.36338E-05 2932 0.179E-02 0.474E-02 RMM: 7 -0.333626317094E+03 -0.76796E-06 -0.23282E-05 2549 0.147E-02 8508 T= 5657. E= 0.67573573E+03 F= 0.62264267E+03 E0= 0.65095614E+03 EK= 0.46065E+02 SP= 0.64E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333186146772E+03 0.44017E+00 -0.14954E-01 9072 0.222E+01 0.210E-01 RMM: 2 -0.333206614313E+03 -0.20468E-01 -0.13490E-01 5496 0.751E-01 0.111E+00 RMM: 3 -0.333197306934E+03 0.93074E-02 -0.98942E-03 5511 0.213E-01 0.200E-01 RMM: 4 -0.333197011826E+03 0.29511E-03 -0.92439E-04 5044 0.594E-02 0.774E-02 RMM: 5 -0.333196980220E+03 0.31607E-04 -0.10297E-04 3712 0.256E-02 0.722E-02 RMM: 6 -0.333196950999E+03 0.29221E-04 -0.24599E-05 2609 0.152E-02 0.411E-02 RMM: 7 -0.333196954552E+03 -0.35535E-05 -0.17648E-05 2511 0.129E-02 8509 T= 5664. E= 0.67573739E+03 F= 0.62307203E+03 E0= 0.65138191E+03 EK= 0.46121E+02 SP= 0.59E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332754196071E+03 0.44275E+00 -0.14638E-01 9024 0.222E+01 0.211E-01 RMM: 2 -0.332774814556E+03 -0.20618E-01 -0.14508E-01 5204 0.812E-01 0.105E+00 RMM: 3 -0.332766425193E+03 0.83894E-02 -0.12349E-02 5731 0.225E-01 0.206E-01 RMM: 4 -0.332766039007E+03 0.38619E-03 -0.93563E-04 4841 0.645E-02 0.978E-02 RMM: 5 -0.332765992928E+03 0.46078E-04 -0.13440E-04 3855 0.293E-02 0.778E-02 RMM: 6 -0.332765955672E+03 0.37256E-04 -0.32244E-05 2878 0.170E-02 0.431E-02 RMM: 7 -0.332765959439E+03 -0.37665E-05 -0.25148E-05 2567 0.151E-02 8510 T= 5674. E= 0.67573929E+03 F= 0.62350303E+03 E0= 0.65180570E+03 EK= 0.46205E+02 SP= 0.53E+01 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332357602613E+03 0.40835E+00 -0.13303E-01 9016 0.223E+01 0.206E-01 RMM: 2 -0.332375759973E+03 -0.18157E-01 -0.12708E-01 5366 0.751E-01 0.100E+00 RMM: 3 -0.332367880913E+03 0.78791E-02 -0.10390E-02 5782 0.208E-01 0.168E-01 RMM: 4 -0.332367621780E+03 0.25913E-03 -0.78083E-04 5007 0.571E-02 0.950E-02 RMM: 5 -0.332367570925E+03 0.50855E-04 -0.97453E-05 3699 0.249E-02 0.696E-02 RMM: 6 -0.332367546532E+03 0.24393E-04 -0.24437E-05 2612 0.151E-02 0.463E-02 RMM: 7 -0.332367549682E+03 -0.31495E-05 -0.24838E-05 2583 0.148E-02 8511 T= 5692. E= 0.67574134E+03 F= 0.62390144E+03 E0= 0.65219242E+03 EK= 0.46349E+02 SP= 0.47E+01 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332030076089E+03 0.33747E+00 -0.12790E-01 8872 0.223E+01 0.190E-01 RMM: 2 -0.332046902767E+03 -0.16827E-01 -0.12896E-01 5135 0.770E-01 0.886E-01 RMM: 3 -0.332040821240E+03 0.60815E-02 -0.11853E-02 5906 0.212E-01 0.174E-01 RMM: 4 -0.332040493419E+03 0.32782E-03 -0.73033E-04 4907 0.574E-02 0.911E-02 RMM: 5 -0.332040443736E+03 0.49684E-04 -0.95073E-05 3715 0.250E-02 0.671E-02 RMM: 6 -0.332040420723E+03 0.23012E-04 -0.23028E-05 2586 0.146E-02 0.451E-02 RMM: 7 -0.332040421062E+03 -0.33869E-06 -0.18279E-05 2516 0.130E-02 8512 T= 5722. E= 0.67574388E+03 F= 0.62422857E+03 E0= 0.65250237E+03 EK= 0.46596E+02 SP= 0.40E+01 SK= 0.89E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331819023018E+03 0.22140E+00 -0.11864E-01 8600 0.225E+01 0.183E-01 RMM: 2 -0.331834711183E+03 -0.15688E-01 -0.12011E-01 5244 0.739E-01 0.854E-01 RMM: 3 -0.331828812994E+03 0.58982E-02 -0.10554E-02 5885 0.203E-01 0.157E-01 RMM: 4 -0.331828549032E+03 0.26396E-03 -0.67153E-04 5051 0.529E-02 0.838E-02 RMM: 5 -0.331828504115E+03 0.44917E-04 -0.76256E-05 3583 0.229E-02 0.669E-02 RMM: 6 -0.331828483327E+03 0.20787E-04 -0.21082E-05 2561 0.140E-02 0.484E-02 RMM: 7 -0.331828480677E+03 0.26502E-05 -0.26515E-05 2626 0.151E-02 8513 T= 5770. E= 0.67574604E+03 F= 0.62444051E+03 E0= 0.65269234E+03 EK= 0.46987E+02 SP= 0.34E+01 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331765247125E+03 0.63236E-01 -0.11260E-01 8568 0.226E+01 0.197E-01 RMM: 2 -0.331781555283E+03 -0.16308E-01 -0.10975E-01 5156 0.724E-01 0.996E-01 RMM: 3 -0.331774219323E+03 0.73360E-02 -0.10482E-02 5810 0.207E-01 0.200E-01 RMM: 4 -0.331773868968E+03 0.35036E-03 -0.77945E-04 4753 0.598E-02 0.846E-02 RMM: 5 -0.331773832436E+03 0.36532E-04 -0.10592E-04 3747 0.254E-02 0.730E-02 RMM: 6 -0.331773801742E+03 0.30694E-04 -0.23995E-05 2630 0.151E-02 0.414E-02 RMM: 7 -0.331773800947E+03 0.79498E-06 -0.14493E-05 2501 0.117E-02 8514 T= 5841. E= 0.67574723E+03 F= 0.62449519E+03 E0= 0.65271963E+03 EK= 0.47565E+02 SP= 0.26E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331897324494E+03 -0.12352E+00 -0.10932E-01 8192 0.229E+01 0.178E-01 RMM: 2 -0.331911980913E+03 -0.14656E-01 -0.10942E-01 5071 0.727E-01 0.848E-01 RMM: 3 -0.331906315770E+03 0.56651E-02 -0.10690E-02 5787 0.208E-01 0.188E-01 RMM: 4 -0.331905993254E+03 0.32252E-03 -0.70559E-04 5020 0.545E-02 0.732E-02 RMM: 5 -0.331905958907E+03 0.34347E-04 -0.84498E-05 3584 0.248E-02 0.684E-02 RMM: 6 -0.331905934345E+03 0.24563E-04 -0.22585E-05 2573 0.144E-02 0.461E-02 RMM: 7 -0.331905930863E+03 0.34821E-05 -0.25870E-05 2607 0.151E-02 8515 T= 5939. E= 0.67574706E+03 F= 0.62436306E+03 E0= 0.65255600E+03 EK= 0.48361E+02 SP= 0.19E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332225515607E+03 -0.31958E+00 -0.10987E-01 8096 0.231E+01 0.179E-01 RMM: 2 -0.332239445065E+03 -0.13929E-01 -0.10129E-01 4994 0.721E-01 0.862E-01 RMM: 3 -0.332233957357E+03 0.54877E-02 -0.10607E-02 5837 0.204E-01 0.166E-01 RMM: 4 -0.332233676115E+03 0.28124E-03 -0.66911E-04 4782 0.559E-02 0.850E-02 RMM: 5 -0.332233634801E+03 0.41314E-04 -0.92319E-05 3641 0.254E-02 0.663E-02 RMM: 6 -0.332233609033E+03 0.25768E-04 -0.23837E-05 2584 0.150E-02 0.374E-02 RMM: 7 -0.332233608422E+03 0.61143E-06 -0.14590E-05 2493 0.119E-02 8516 T= 6064. E= 0.67574526E+03 F= 0.62403538E+03 E0= 0.65219357E+03 EK= 0.49384E+02 SP= 0.12E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332733813971E+03 -0.50020E+00 -0.11060E-01 8008 0.235E+01 0.163E-01 RMM: 2 -0.332745421934E+03 -0.11608E-01 -0.93675E-02 5073 0.688E-01 0.713E-01 RMM: 3 -0.332741499067E+03 0.39229E-02 -0.91918E-03 5893 0.188E-01 0.148E-01 RMM: 4 -0.332741264173E+03 0.23489E-03 -0.52796E-04 4768 0.487E-02 0.809E-02 RMM: 5 -0.332741217577E+03 0.46597E-04 -0.72854E-05 3500 0.238E-02 0.620E-02 RMM: 6 -0.332741197067E+03 0.20509E-04 -0.21317E-05 2548 0.140E-02 0.416E-02 RMM: 7 -0.332741191936E+03 0.51314E-05 -0.21956E-05 2534 0.138E-02 8517 T= 6216. E= 0.67574201E+03 F= 0.62352780E+03 E0= 0.65165049E+03 EK= 0.50616E+02 SP= 0.39E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333382634080E+03 -0.64144E+00 -0.11332E-01 8160 0.238E+01 0.166E-01 RMM: 2 -0.333393836485E+03 -0.11202E-01 -0.84849E-02 5145 0.662E-01 0.759E-01 RMM: 3 -0.333389608629E+03 0.42279E-02 -0.83204E-03 5881 0.177E-01 0.146E-01 RMM: 4 -0.333389395307E+03 0.21332E-03 -0.50793E-04 4562 0.505E-02 0.957E-02 RMM: 5 -0.333389333916E+03 0.61392E-04 -0.80355E-05 3541 0.246E-02 0.596E-02 RMM: 6 -0.333389314996E+03 0.18920E-04 -0.21313E-05 2559 0.142E-02 8518 T= 6388. E= 0.67573765E+03 F= 0.62287967E+03 E0= 0.65096841E+03 EK= 0.52018E+02 SP= -.40E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334110239524E+03 -0.72091E+00 -0.11646E-01 7864 0.242E+01 0.185E-01 RMM: 2 -0.334125567480E+03 -0.15328E-01 -0.10494E-01 5060 0.730E-01 0.929E-01 RMM: 3 -0.334119100305E+03 0.64672E-02 -0.10835E-02 5700 0.206E-01 0.194E-01 RMM: 4 -0.334118745195E+03 0.35511E-03 -0.71797E-04 4768 0.578E-02 0.835E-02 RMM: 5 -0.334118691978E+03 0.53217E-04 -0.91338E-05 3790 0.247E-02 0.664E-02 RMM: 6 -0.334118673850E+03 0.18128E-04 -0.20874E-05 2539 0.135E-02 8519 T= 6573. E= 0.67573239E+03 F= 0.62215032E+03 E0= 0.65020915E+03 EK= 0.53526E+02 SP= -.12E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334849268216E+03 -0.73058E+00 -0.11463E-01 7880 0.246E+01 0.275E-01 RMM: 2 -0.334874081783E+03 -0.24814E-01 -0.10778E-01 5106 0.768E-01 0.152E+00 RMM: 3 -0.334857837124E+03 0.16245E-01 -0.13126E-02 5447 0.258E-01 0.271E-01 RMM: 4 -0.334857269461E+03 0.56766E-03 -0.13096E-03 4740 0.747E-02 0.911E-02 RMM: 5 -0.334857219141E+03 0.50320E-04 -0.14775E-04 4030 0.296E-02 0.774E-02 RMM: 6 -0.334857191251E+03 0.27890E-04 -0.23384E-05 2556 0.143E-02 0.597E-02 RMM: 7 -0.334857191185E+03 0.66353E-07 -0.30371E-05 2687 0.166E-02 8520 T= 6762. E= 0.67572730E+03 F= 0.62141180E+03 E0= 0.64944740E+03 EK= 0.55063E+02 SP= -.20E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335524037887E+03 -0.66685E+00 -0.11878E-01 7928 0.250E+01 0.264E-01 RMM: 2 -0.335546360095E+03 -0.22322E-01 -0.13243E-01 4994 0.828E-01 0.127E+00 RMM: 3 -0.335535013494E+03 0.11347E-01 -0.15271E-02 5517 0.261E-01 0.278E-01 RMM: 4 -0.335534509896E+03 0.50360E-03 -0.15310E-03 4876 0.848E-02 0.143E-01 RMM: 5 -0.335534429077E+03 0.80819E-04 -0.22719E-04 3889 0.372E-02 0.115E-01 RMM: 6 -0.335534342061E+03 0.87017E-04 -0.60992E-05 3372 0.229E-02 0.371E-02 RMM: 7 -0.335534344306E+03 -0.22453E-05 -0.17999E-05 2528 0.128E-02 8521 T= 6944. E= 0.67572332E+03 F= 0.62073464E+03 E0= 0.64875530E+03 EK= 0.56551E+02 SP= -.27E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336077855920E+03 -0.54351E+00 -0.13048E-01 8136 0.253E+01 0.210E-01 RMM: 2 -0.336098928710E+03 -0.21073E-01 -0.14754E-01 5014 0.857E-01 0.107E+00 RMM: 3 -0.336090433915E+03 0.84948E-02 -0.15388E-02 5805 0.239E-01 0.190E-01 RMM: 4 -0.336090032142E+03 0.40177E-03 -0.90831E-04 4888 0.658E-02 0.116E-01 RMM: 5 -0.336089930465E+03 0.10168E-03 -0.12204E-04 3843 0.293E-02 0.707E-02 RMM: 6 -0.336089909910E+03 0.20556E-04 -0.26216E-05 2587 0.150E-02 0.584E-02 RMM: 7 -0.336089885733E+03 0.24176E-04 -0.37524E-05 2698 0.166E-02 0.618E-02 RMM: 8 -0.336089856736E+03 0.28997E-04 -0.36067E-05 2649 0.155E-02 0.280E-02 RMM: 9 -0.336089858590E+03 -0.18541E-05 -0.22368E-05 2512 0.119E-02 8522 T= 7113. E= 0.67572010E+03 F= 0.62017913E+03 E0= 0.64819389E+03 EK= 0.57922E+02 SP= -.35E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336463776946E+03 -0.37392E+00 -0.13820E-01 8288 0.255E+01 0.174E-01 RMM: 2 -0.336479318742E+03 -0.15542E-01 -0.14139E-01 4999 0.833E-01 0.623E-01 RMM: 3 -0.336475971169E+03 0.33476E-02 -0.14125E-02 6219 0.212E-01 0.135E-01 RMM: 4 -0.336475718604E+03 0.25256E-03 -0.70114E-04 4653 0.660E-02 0.157E-01 RMM: 5 -0.336475546512E+03 0.17209E-03 -0.13223E-04 3838 0.326E-02 0.559E-02 RMM: 6 -0.336475531225E+03 0.15286E-04 -0.23123E-05 2604 0.144E-02 8523 T= 7259. E= 0.67571805E+03 F= 0.61979346E+03 E0= 0.64781154E+03 EK= 0.59115E+02 SP= -.42E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336644726123E+03 -0.16918E+00 -0.14513E-01 8472 0.256E+01 0.172E-01 RMM: 2 -0.336662532552E+03 -0.17806E-01 -0.14685E-01 5202 0.830E-01 0.803E-01 RMM: 3 -0.336657246390E+03 0.52862E-02 -0.14343E-02 6018 0.223E-01 0.163E-01 RMM: 4 -0.336656911795E+03 0.33460E-03 -0.68871E-04 4976 0.552E-02 0.939E-02 RMM: 5 -0.336656859635E+03 0.52159E-04 -0.76982E-05 3441 0.240E-02 0.743E-02 RMM: 6 -0.336656852301E+03 0.73344E-05 -0.21103E-05 2535 0.131E-02 8524 T= 7379. E= 0.67571727E+03 F= 0.61961214E+03 E0= 0.64764357E+03 EK= 0.60088E+02 SP= -.49E+01 SK= 0.95E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336598356557E+03 0.58503E-01 -0.15745E-01 8472 0.257E+01 0.266E-01 RMM: 2 -0.336626345039E+03 -0.27988E-01 -0.16223E-01 5076 0.883E-01 0.138E+00 RMM: 3 -0.336611825497E+03 0.14520E-01 -0.17260E-02 5472 0.281E-01 0.234E-01 RMM: 4 -0.336611404792E+03 0.42070E-03 -0.15176E-03 4915 0.788E-02 0.106E-01 RMM: 5 -0.336611361220E+03 0.43573E-04 -0.17548E-04 4049 0.316E-02 0.869E-02 RMM: 6 -0.336611320286E+03 0.40933E-04 -0.29504E-05 2702 0.162E-02 0.540E-02 RMM: 7 -0.336611325866E+03 -0.55794E-05 -0.22761E-05 2556 0.152E-02 8525 T= 7467. E= 0.67571690E+03 F= 0.61965766E+03 E0= 0.64771224E+03 EK= 0.60808E+02 SP= -.56E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336309243064E+03 0.30208E+00 -0.17286E-01 8728 0.258E+01 0.243E-01 RMM: 2 -0.336335888367E+03 -0.26645E-01 -0.19789E-01 4973 0.967E-01 0.111E+00 RMM: 3 -0.336326065315E+03 0.98231E-02 -0.19634E-02 5645 0.282E-01 0.217E-01 RMM: 4 -0.336325686892E+03 0.37842E-03 -0.14882E-03 4953 0.833E-02 0.159E-01 RMM: 5 -0.336325567667E+03 0.11923E-03 -0.22209E-04 3912 0.379E-02 0.995E-02 RMM: 6 -0.336325502630E+03 0.65037E-04 -0.49321E-05 3180 0.204E-02 0.398E-02 RMM: 7 -0.336325509111E+03 -0.64813E-05 -0.23541E-05 2567 0.148E-02 8526 T= 7522. E= 0.67571749E+03 F= 0.61994348E+03 E0= 0.64802862E+03 EK= 0.61253E+02 SP= -.62E+01 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335777497951E+03 0.54800E+00 -0.19236E-01 8704 0.257E+01 0.191E-01 RMM: 2 -0.335802763289E+03 -0.25265E-01 -0.20696E-01 5129 0.974E-01 0.915E-01 RMM: 3 -0.335795565696E+03 0.71976E-02 -0.19549E-02 5815 0.267E-01 0.168E-01 RMM: 4 -0.335795187658E+03 0.37804E-03 -0.10370E-03 4987 0.679E-02 0.103E-01 RMM: 5 -0.335795128749E+03 0.58909E-04 -0.13485E-04 3902 0.303E-02 0.700E-02 RMM: 6 -0.335795107922E+03 0.20828E-04 -0.27950E-05 2610 0.158E-02 0.517E-02 RMM: 7 -0.335795113514E+03 -0.55927E-05 -0.25808E-05 2598 0.153E-02 8527 T= 7541. E= 0.67571854E+03 F= 0.62047388E+03 E0= 0.64859526E+03 EK= 0.61412E+02 SP= -.68E+01 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335007555859E+03 0.78755E+00 -0.19689E-01 8808 0.257E+01 0.155E-01 RMM: 2 -0.335029757253E+03 -0.22201E-01 -0.20622E-01 5280 0.961E-01 0.611E-01 RMM: 3 -0.335025664595E+03 0.40927E-02 -0.16590E-02 5958 0.246E-01 0.145E-01 RMM: 4 -0.335025346038E+03 0.31856E-03 -0.75164E-04 4856 0.620E-02 0.111E-01 RMM: 5 -0.335025263097E+03 0.82941E-04 -0.10225E-04 3644 0.296E-02 0.608E-02 RMM: 6 -0.335025250027E+03 0.13071E-04 -0.25944E-05 2562 0.152E-02 8528 T= 7526. E= 0.67572067E+03 F= 0.62124374E+03 E0= 0.64940448E+03 EK= 0.61286E+02 SP= -.74E+01 SK= 0.57E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334018579086E+03 0.10067E+01 -0.19728E-01 8768 0.256E+01 0.188E-01 RMM: 2 -0.334045272571E+03 -0.26693E-01 -0.21419E-01 5419 0.962E-01 0.966E-01 RMM: 3 -0.334037032195E+03 0.82404E-02 -0.16538E-02 5679 0.255E-01 0.189E-01 RMM: 4 -0.334036648382E+03 0.38381E-03 -0.99195E-04 4915 0.665E-02 0.967E-02 RMM: 5 -0.334036591939E+03 0.56443E-04 -0.11415E-04 4118 0.274E-02 0.747E-02 RMM: 6 -0.334036574568E+03 0.17371E-04 -0.26520E-05 2570 0.157E-02 8529 T= 7478. E= 0.67572410E+03 F= 0.62223241E+03 E0= 0.65043336E+03 EK= 0.60896E+02 SP= -.79E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332852667268E+03 0.11839E+01 -0.19822E-01 8800 0.254E+01 0.352E-01 RMM: 2 -0.332900579278E+03 -0.47912E-01 -0.22092E-01 5034 0.102E+00 0.202E+00 RMM: 3 -0.332870819266E+03 0.29760E-01 -0.23676E-02 5435 0.345E-01 0.348E-01 RMM: 4 -0.332869878493E+03 0.94077E-03 -0.24129E-03 5269 0.993E-02 0.984E-02 RMM: 5 -0.332869847743E+03 0.30750E-04 -0.28304E-04 4751 0.318E-02 0.978E-02 RMM: 6 -0.332869793959E+03 0.53784E-04 -0.33491E-05 2830 0.174E-02 0.634E-02 RMM: 7 -0.332869814560E+03 -0.20601E-04 -0.37409E-05 2945 0.173E-02 0.886E-02 RMM: 8 -0.332869775364E+03 0.39195E-04 -0.11588E-04 3893 0.233E-02 0.511E-02 RMM: 9 -0.332869761400E+03 0.13964E-04 -0.21126E-05 2598 0.127E-02 8530 T= 7402. E= 0.67572878E+03 F= 0.62339923E+03 E0= 0.65163966E+03 EK= 0.60281E+02 SP= -.84E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331569586924E+03 0.13002E+01 -0.19370E-01 8840 0.253E+01 0.253E-01 RMM: 2 -0.331598697394E+03 -0.29110E-01 -0.21062E-01 5548 0.925E-01 0.117E+00 RMM: 3 -0.331586863182E+03 0.11834E-01 -0.15342E-02 5489 0.268E-01 0.215E-01 RMM: 4 -0.331586818636E+03 0.44547E-04 -0.16758E-03 5085 0.917E-02 0.230E-01 RMM: 5 -0.331586547125E+03 0.27151E-03 -0.30350E-04 3922 0.436E-02 0.130E-01 RMM: 6 -0.331586436224E+03 0.11090E-03 -0.81346E-05 3570 0.260E-02 0.406E-02 RMM: 7 -0.331586455245E+03 -0.19021E-04 -0.33903E-05 2864 0.169E-02 8531 T= 7307. E= 0.67573496E+03 F= 0.62468253E+03 E0= 0.65295933E+03 EK= 0.59505E+02 SP= -.88E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330250125498E+03 0.13363E+01 -0.19564E-01 8776 0.250E+01 0.250E-01 RMM: 2 -0.330282274717E+03 -0.32149E-01 -0.22271E-01 5104 0.101E+00 0.129E+00 RMM: 3 -0.330269276952E+03 0.12998E-01 -0.20520E-02 5768 0.285E-01 0.251E-01 RMM: 4 -0.330268642896E+03 0.63406E-03 -0.13618E-03 4926 0.804E-02 0.107E-01 RMM: 5 -0.330268585192E+03 0.57705E-04 -0.18294E-04 4080 0.324E-02 0.892E-02 RMM: 6 -0.330268536209E+03 0.48983E-04 -0.36512E-05 2918 0.176E-02 0.548E-02 RMM: 7 -0.330268542979E+03 -0.67700E-05 -0.66347E-05 3480 0.219E-02 8532 T= 7203. E= 0.67574186E+03 F= 0.62600045E+03 E0= 0.65431027E+03 EK= 0.58654E+02 SP= -.92E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328995442096E+03 0.12731E+01 -0.18608E-01 8856 0.248E+01 0.217E-01 RMM: 2 -0.329023153070E+03 -0.27711E-01 -0.22020E-01 5283 0.987E-01 0.101E+00 RMM: 3 -0.329014203065E+03 0.89500E-02 -0.19050E-02 5986 0.258E-01 0.169E-01 RMM: 4 -0.329013833161E+03 0.36990E-03 -0.10647E-03 4836 0.730E-02 0.148E-01 RMM: 5 -0.329013689648E+03 0.14351E-03 -0.16147E-04 3865 0.317E-02 0.802E-02 RMM: 6 -0.329013657260E+03 0.32388E-04 -0.35455E-05 2917 0.174E-02 0.560E-02 RMM: 7 -0.329013652160E+03 0.50998E-05 -0.45964E-05 2922 0.195E-02 8533 T= 7101. E= 0.67574822E+03 F= 0.62725534E+03 E0= 0.65559393E+03 EK= 0.57830E+02 SP= -.96E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327898084082E+03 0.11156E+01 -0.19833E-01 8288 0.246E+01 0.205E-01 RMM: 2 -0.327926837829E+03 -0.28754E-01 -0.24494E-01 5113 0.108E+00 0.914E-01 RMM: 3 -0.327919750221E+03 0.70876E-02 -0.22799E-02 6081 0.277E-01 0.198E-01 RMM: 4 -0.327919169536E+03 0.58068E-03 -0.10617E-03 4885 0.763E-02 0.132E-01 RMM: 5 -0.327919054643E+03 0.11489E-03 -0.16163E-04 3905 0.327E-02 0.782E-02 RMM: 6 -0.327919028337E+03 0.26307E-04 -0.33654E-05 2877 0.170E-02 0.589E-02 RMM: 7 -0.327919029265E+03 -0.92794E-06 -0.56919E-05 3277 0.203E-02 8534 T= 7016. E= 0.67575343E+03 F= 0.62834996E+03 E0= 0.65671325E+03 EK= 0.57134E+02 SP= -.10E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327043621835E+03 0.87541E+00 -0.17539E-01 8624 0.245E+01 0.218E-01 RMM: 2 -0.327068907379E+03 -0.25286E-01 -0.20304E-01 5154 0.971E-01 0.969E-01 RMM: 3 -0.327060858032E+03 0.80493E-02 -0.17922E-02 6075 0.253E-01 0.187E-01 RMM: 4 -0.327060455986E+03 0.40205E-03 -0.98226E-04 4801 0.723E-02 0.145E-01 RMM: 5 -0.327060333284E+03 0.12270E-03 -0.15521E-04 3865 0.318E-02 0.898E-02 RMM: 6 -0.327060290494E+03 0.42790E-04 -0.40818E-05 3031 0.190E-02 0.550E-02 RMM: 7 -0.327060293845E+03 -0.33509E-05 -0.39403E-05 2807 0.179E-02 8535 T= 6956. E= 0.67575592E+03 F= 0.62920870E+03 E0= 0.65759216E+03 EK= 0.56646E+02 SP= -.10E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326454427398E+03 0.60586E+00 -0.16465E-01 8560 0.245E+01 0.194E-01 RMM: 2 -0.326477664390E+03 -0.23237E-01 -0.19526E-01 5262 0.935E-01 0.870E-01 RMM: 3 -0.326470912000E+03 0.67524E-02 -0.16316E-02 6031 0.240E-01 0.182E-01 RMM: 4 -0.326470536426E+03 0.37557E-03 -0.90674E-04 4757 0.663E-02 0.126E-01 RMM: 5 -0.326470437297E+03 0.99129E-04 -0.13555E-04 3810 0.297E-02 0.774E-02 RMM: 6 -0.326470407677E+03 0.29620E-04 -0.30931E-05 2803 0.167E-02 0.529E-02 RMM: 7 -0.326470410499E+03 -0.28226E-05 -0.34774E-05 2673 0.166E-02 8536 T= 6926. E= 0.67575441E+03 F= 0.62979858E+03 E0= 0.65819985E+03 EK= 0.56402E+02 SP= -.11E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326115383907E+03 0.35502E+00 -0.15761E-01 8280 0.246E+01 0.201E-01 RMM: 2 -0.326137000662E+03 -0.21617E-01 -0.17847E-01 5139 0.904E-01 0.878E-01 RMM: 3 -0.326130348317E+03 0.66523E-02 -0.15825E-02 5954 0.244E-01 0.170E-01 RMM: 4 -0.326130035736E+03 0.31258E-03 -0.91303E-04 4795 0.656E-02 0.129E-01 RMM: 5 -0.326129930395E+03 0.10534E-03 -0.12858E-04 3788 0.292E-02 0.829E-02 RMM: 6 -0.326129894282E+03 0.36113E-04 -0.35115E-05 2873 0.178E-02 0.543E-02 RMM: 7 -0.326129894195E+03 0.87171E-07 -0.32895E-05 2657 0.166E-02 8537 T= 6924. E= 0.67575003E+03 F= 0.63013910E+03 E0= 0.65855631E+03 EK= 0.56386E+02 SP= -.11E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325966237916E+03 0.16366E+00 -0.14964E-01 8744 0.247E+01 0.207E-01 RMM: 2 -0.325986152809E+03 -0.19915E-01 -0.15537E-01 5428 0.822E-01 0.935E-01 RMM: 3 -0.325978802817E+03 0.73500E-02 -0.12178E-02 5831 0.223E-01 0.184E-01 RMM: 4 -0.325978532753E+03 0.27006E-03 -0.88766E-04 4787 0.621E-02 0.119E-01 RMM: 5 -0.325978448415E+03 0.84338E-04 -0.12033E-04 3775 0.275E-02 0.804E-02 RMM: 6 -0.325978418934E+03 0.29481E-04 -0.28766E-05 2751 0.163E-02 0.600E-02 RMM: 7 -0.325978425866E+03 -0.69312E-05 -0.36196E-05 2728 0.169E-02 8538 T= 6943. E= 0.67574444E+03 F= 0.63029056E+03 E0= 0.65872377E+03 EK= 0.56541E+02 SP= -.11E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325925265151E+03 0.53154E-01 -0.15298E-01 8880 0.249E+01 0.218E-01 RMM: 2 -0.325946311357E+03 -0.21046E-01 -0.16023E-01 5424 0.847E-01 0.977E-01 RMM: 3 -0.325938705828E+03 0.76055E-02 -0.13882E-02 5631 0.240E-01 0.206E-01 RMM: 4 -0.325938416296E+03 0.28953E-03 -0.10570E-03 4818 0.671E-02 0.126E-01 RMM: 5 -0.325938320975E+03 0.95321E-04 -0.14434E-04 3898 0.290E-02 0.874E-02 RMM: 6 -0.325938284657E+03 0.36318E-04 -0.34024E-05 2917 0.175E-02 0.589E-02 RMM: 7 -0.325938290765E+03 -0.61083E-05 -0.29403E-05 2642 0.159E-02 8539 T= 6974. E= 0.67573990E+03 F= 0.63033070E+03 E0= 0.65878149E+03 EK= 0.56791E+02 SP= -.12E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325928073916E+03 0.10211E-01 -0.16211E-01 8904 0.250E+01 0.236E-01 RMM: 2 -0.325950413777E+03 -0.22340E-01 -0.15473E-01 5658 0.825E-01 0.113E+00 RMM: 3 -0.325940853329E+03 0.95604E-02 -0.12279E-02 5609 0.232E-01 0.215E-01 RMM: 4 -0.325940542529E+03 0.31080E-03 -0.10679E-03 4815 0.664E-02 0.120E-01 RMM: 5 -0.325940468842E+03 0.73687E-04 -0.14258E-04 3885 0.284E-02 0.891E-02 RMM: 6 -0.325940434249E+03 0.34593E-04 -0.30247E-05 2812 0.166E-02 0.658E-02 RMM: 7 -0.325940449293E+03 -0.15044E-04 -0.36544E-05 2772 0.170E-02 8540 T= 7008. E= 0.67573694E+03 F= 0.63032854E+03 E0= 0.65879967E+03 EK= 0.57067E+02 SP= -.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325920085230E+03 0.20349E-01 -0.16646E-01 8936 0.251E+01 0.232E-01 RMM: 2 -0.325941767590E+03 -0.21682E-01 -0.15952E-01 5506 0.843E-01 0.105E+00 RMM: 3 -0.325933470210E+03 0.82974E-02 -0.14408E-02 5615 0.244E-01 0.209E-01 RMM: 4 -0.325933190187E+03 0.28002E-03 -0.11368E-03 4886 0.677E-02 0.122E-01 RMM: 5 -0.325933114651E+03 0.75536E-04 -0.15814E-04 3886 0.296E-02 0.912E-02 RMM: 6 -0.325933073356E+03 0.41296E-04 -0.35776E-05 2967 0.179E-02 0.572E-02 RMM: 7 -0.325933083855E+03 -0.10499E-04 -0.30151E-05 2657 0.161E-02 8541 T= 7038. E= 0.67573510E+03 F= 0.63033591E+03 E0= 0.65883247E+03 EK= 0.57315E+02 SP= -.12E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325865331399E+03 0.67742E-01 -0.16906E-01 9000 0.252E+01 0.232E-01 RMM: 2 -0.325889144189E+03 -0.23813E-01 -0.16486E-01 5582 0.835E-01 0.116E+00 RMM: 3 -0.325878504404E+03 0.10640E-01 -0.12204E-02 5637 0.231E-01 0.214E-01 RMM: 4 -0.325878177233E+03 0.32717E-03 -0.10692E-03 4803 0.674E-02 0.121E-01 RMM: 5 -0.325878106783E+03 0.70449E-04 -0.14850E-04 3870 0.298E-02 0.911E-02 RMM: 6 -0.325878067038E+03 0.39745E-04 -0.34548E-05 2903 0.178E-02 0.597E-02 RMM: 7 -0.325878080833E+03 -0.13794E-04 -0.31357E-05 2648 0.157E-02 8542 T= 7060. E= 0.67573351E+03 F= 0.63039091E+03 E0= 0.65891780E+03 EK= 0.57495E+02 SP= -.12E+02 SK= 0.86E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325730362990E+03 0.14770E+00 -0.17660E-01 9000 0.252E+01 0.215E-01 RMM: 2 -0.325750758494E+03 -0.20396E-01 -0.16724E-01 5595 0.831E-01 0.885E-01 RMM: 3 -0.325743658703E+03 0.70998E-02 -0.11340E-02 5755 0.222E-01 0.175E-01 RMM: 4 -0.325743454536E+03 0.20417E-03 -0.88033E-04 4873 0.608E-02 0.130E-01 RMM: 5 -0.325743364249E+03 0.90287E-04 -0.12181E-04 3815 0.284E-02 0.860E-02 RMM: 6 -0.325743326314E+03 0.37935E-04 -0.32162E-05 2887 0.172E-02 0.512E-02 RMM: 7 -0.325743335323E+03 -0.90083E-05 -0.35402E-05 2752 0.172E-02 8543 T= 7070. E= 0.67573275E+03 F= 0.63052565E+03 E0= 0.65908846E+03 EK= 0.57572E+02 SP= -.12E+02 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325490801981E+03 0.25252E+00 -0.18250E-01 8920 0.252E+01 0.215E-01 RMM: 2 -0.325513754820E+03 -0.22953E-01 -0.17262E-01 5729 0.829E-01 0.104E+00 RMM: 3 -0.325504410416E+03 0.93444E-02 -0.10205E-02 5778 0.209E-01 0.193E-01 RMM: 4 -0.325504156273E+03 0.25414E-03 -0.89932E-04 4759 0.645E-02 0.133E-01 RMM: 5 -0.325504053481E+03 0.10279E-03 -0.13626E-04 3850 0.292E-02 0.872E-02 RMM: 6 -0.325504017208E+03 0.36273E-04 -0.33605E-05 2897 0.178E-02 0.556E-02 RMM: 7 -0.325504027495E+03 -0.10287E-04 -0.32590E-05 2664 0.152E-02 8544 T= 7064. E= 0.67573251E+03 F= 0.63076496E+03 E0= 0.65936623E+03 EK= 0.57522E+02 SP= -.13E+02 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325129006122E+03 0.37501E+00 -0.18792E-01 8976 0.252E+01 0.206E-01 RMM: 2 -0.325149397140E+03 -0.20391E-01 -0.17500E-01 5781 0.828E-01 0.806E-01 RMM: 3 -0.325142862229E+03 0.65349E-02 -0.10029E-02 5923 0.207E-01 0.164E-01 RMM: 4 -0.325142690921E+03 0.17131E-03 -0.75901E-04 4939 0.558E-02 0.131E-01 RMM: 5 -0.325142582283E+03 0.10864E-03 -0.10297E-04 3736 0.262E-02 0.791E-02 RMM: 6 -0.325142555446E+03 0.26837E-04 -0.28120E-05 2754 0.162E-02 0.566E-02 RMM: 7 -0.325142560527E+03 -0.50806E-05 -0.51718E-05 3160 0.191E-02 8545 T= 7040. E= 0.67573242E+03 F= 0.63112643E+03 E0= 0.65976726E+03 EK= 0.57326E+02 SP= -.13E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324633143495E+03 0.50941E+00 -0.19185E-01 8920 0.251E+01 0.197E-01 RMM: 2 -0.324655546909E+03 -0.22403E-01 -0.18651E-01 5586 0.867E-01 0.877E-01 RMM: 3 -0.324648362087E+03 0.71848E-02 -0.11869E-02 5876 0.217E-01 0.180E-01 RMM: 4 -0.324648113495E+03 0.24859E-03 -0.85021E-04 4780 0.639E-02 0.137E-01 RMM: 5 -0.324647989513E+03 0.12398E-03 -0.13286E-04 3809 0.290E-02 0.831E-02 RMM: 6 -0.324647960455E+03 0.29058E-04 -0.32176E-05 2872 0.171E-02 0.589E-02 RMM: 7 -0.324647964370E+03 -0.39152E-05 -0.41495E-05 2818 0.176E-02 8546 T= 6996. E= 0.67573227E+03 F= 0.63162102E+03 E0= 0.66029757E+03 EK= 0.56974E+02 SP= -.13E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324000885021E+03 0.64708E+00 -0.18980E-01 8920 0.250E+01 0.207E-01 RMM: 2 -0.324021889034E+03 -0.21004E-01 -0.17611E-01 5802 0.824E-01 0.853E-01 RMM: 3 -0.324014849479E+03 0.70396E-02 -0.10078E-02 6042 0.204E-01 0.165E-01 RMM: 4 -0.324014671642E+03 0.17784E-03 -0.72134E-04 4914 0.549E-02 0.129E-01 RMM: 5 -0.324014562979E+03 0.10866E-03 -0.98753E-05 3638 0.252E-02 0.794E-02 RMM: 6 -0.324014539725E+03 0.23254E-04 -0.27840E-05 2738 0.162E-02 0.620E-02 RMM: 7 -0.324014545345E+03 -0.56198E-05 -0.54899E-05 3181 0.193E-02 8547 T= 6933. E= 0.67573271E+03 F= 0.63225444E+03 E0= 0.66096081E+03 EK= 0.56462E+02 SP= -.13E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323229860282E+03 0.78468E+00 -0.19383E-01 8952 0.249E+01 0.198E-01 RMM: 2 -0.323252118522E+03 -0.22258E-01 -0.18878E-01 5607 0.867E-01 0.853E-01 RMM: 3 -0.323245316110E+03 0.68024E-02 -0.12823E-02 5976 0.220E-01 0.183E-01 RMM: 4 -0.323245040200E+03 0.27591E-03 -0.83331E-04 4821 0.617E-02 0.130E-01 RMM: 5 -0.323244929973E+03 0.11023E-03 -0.11868E-04 3743 0.266E-02 0.859E-02 RMM: 6 -0.323244899399E+03 0.30574E-04 -0.31293E-05 2854 0.171E-02 0.602E-02 RMM: 7 -0.323244903763E+03 -0.43631E-05 -0.38934E-05 2800 0.172E-02 8548 T= 6852. E= 0.67573420E+03 F= 0.63302409E+03 E0= 0.66175184E+03 EK= 0.55796E+02 SP= -.13E+02 SK= 0.16E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322338892328E+03 0.90601E+00 -0.20180E-01 8968 0.247E+01 0.212E-01 RMM: 2 -0.322361905904E+03 -0.23014E-01 -0.18547E-01 5688 0.853E-01 0.941E-01 RMM: 3 -0.322353903580E+03 0.80023E-02 -0.11951E-02 5864 0.221E-01 0.184E-01 RMM: 4 -0.322353632181E+03 0.27140E-03 -0.86041E-04 4969 0.596E-02 0.118E-01 RMM: 5 -0.322353545723E+03 0.86458E-04 -0.10742E-04 3725 0.254E-02 0.863E-02 RMM: 6 -0.322353517377E+03 0.28346E-04 -0.28479E-05 2761 0.163E-02 0.653E-02 RMM: 7 -0.322353525363E+03 -0.79866E-05 -0.45075E-05 3018 0.182E-02 8549 T= 6753. E= 0.67573665E+03 F= 0.63391546E+03 E0= 0.66265588E+03 EK= 0.54994E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321355136964E+03 0.99838E+00 -0.20963E-01 9032 0.245E+01 0.230E-01 RMM: 2 -0.321379759467E+03 -0.24623E-01 -0.19090E-01 5685 0.870E-01 0.104E+00 RMM: 3 -0.321370581120E+03 0.91783E-02 -0.12544E-02 5809 0.230E-01 0.213E-01 RMM: 4 -0.321370245341E+03 0.33578E-03 -0.10044E-03 4880 0.654E-02 0.121E-01 RMM: 5 -0.321370168630E+03 0.76711E-04 -0.13372E-04 3845 0.280E-02 0.986E-02 RMM: 6 -0.321370121115E+03 0.47515E-04 -0.36685E-05 3006 0.182E-02 0.591E-02 RMM: 7 -0.321370129786E+03 -0.86709E-05 -0.31145E-05 2685 0.161E-02 8550 T= 6642. E= 0.67574012E+03 F= 0.63489886E+03 E0= 0.66364284E+03 EK= 0.54090E+02 SP= -.13E+02 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320325325880E+03 0.10448E+01 -0.21817E-01 8968 0.243E+01 0.230E-01 RMM: 2 -0.320351682781E+03 -0.26357E-01 -0.19702E-01 5691 0.886E-01 0.111E+00 RMM: 3 -0.320341548132E+03 0.10135E-01 -0.13034E-02 5617 0.236E-01 0.227E-01 RMM: 4 -0.320341171532E+03 0.37660E-03 -0.11079E-03 4983 0.669E-02 0.120E-01 RMM: 5 -0.320341096243E+03 0.75290E-04 -0.14111E-04 3848 0.298E-02 0.927E-02 RMM: 6 -0.320341055931E+03 0.40312E-04 -0.37239E-05 3011 0.179E-02 0.646E-02 RMM: 7 -0.320341069756E+03 -0.13825E-04 -0.48617E-05 3097 0.191E-02 8551 T= 6525. E= 0.67574501E+03 F= 0.63592792E+03 E0= 0.66466713E+03 EK= 0.53134E+02 SP= -.13E+02 SK= 0.91E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319307575666E+03 0.10335E+01 -0.22080E-01 8968 0.240E+01 0.255E-01 RMM: 2 -0.319334815397E+03 -0.27240E-01 -0.19724E-01 5524 0.906E-01 0.118E+00 RMM: 3 -0.319323987391E+03 0.10828E-01 -0.14910E-02 5719 0.250E-01 0.257E-01 RMM: 4 -0.319323456515E+03 0.53088E-03 -0.12604E-03 4820 0.741E-02 0.121E-01 RMM: 5 -0.319323409293E+03 0.47222E-04 -0.18744E-04 3912 0.334E-02 0.112E-01 RMM: 6 -0.319323336797E+03 0.72496E-04 -0.51484E-05 3213 0.210E-02 0.521E-02 RMM: 7 -0.319323348151E+03 -0.11354E-04 -0.27392E-05 2633 0.155E-02 8552 T= 6409. E= 0.67574980E+03 F= 0.63694564E+03 E0= 0.66567280E+03 EK= 0.52188E+02 SP= -.13E+02 SK= 0.95E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318353860365E+03 0.96948E+00 -0.22154E-01 9000 0.237E+01 0.236E-01 RMM: 2 -0.318381405666E+03 -0.27545E-01 -0.19431E-01 5461 0.911E-01 0.120E+00 RMM: 3 -0.318370437880E+03 0.10968E-01 -0.15107E-02 5636 0.251E-01 0.249E-01 RMM: 4 -0.318369928322E+03 0.50956E-03 -0.12125E-03 4892 0.722E-02 0.111E-01 RMM: 5 -0.318369876510E+03 0.51811E-04 -0.16798E-04 3910 0.324E-02 0.927E-02 RMM: 6 -0.318369829377E+03 0.47133E-04 -0.42915E-05 3078 0.189E-02 0.551E-02 RMM: 7 -0.318369846754E+03 -0.17377E-04 -0.35796E-05 2796 0.173E-02 8553 T= 6300. E= 0.67575347E+03 F= 0.63789914E+03 E0= 0.66660809E+03 EK= 0.51307E+02 SP= -.13E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317504835799E+03 0.86499E+00 -0.20171E-01 9048 0.235E+01 0.247E-01 RMM: 2 -0.317529945901E+03 -0.25110E-01 -0.17314E-01 5453 0.861E-01 0.118E+00 RMM: 3 -0.317519200017E+03 0.10746E-01 -0.13106E-02 5610 0.243E-01 0.253E-01 RMM: 4 -0.317518726273E+03 0.47374E-03 -0.11970E-03 4841 0.723E-02 0.113E-01 RMM: 5 -0.317518703298E+03 0.22976E-04 -0.18997E-04 3895 0.342E-02 0.114E-01 RMM: 6 -0.317518623380E+03 0.79918E-04 -0.55505E-05 3273 0.217E-02 0.409E-02 RMM: 7 -0.317518630914E+03 -0.75342E-05 -0.20358E-05 2545 0.136E-02 8554 T= 6205. E= 0.67575569E+03 F= 0.63875036E+03 E0= 0.66743619E+03 EK= 0.50533E+02 SP= -.14E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316778682496E+03 0.73994E+00 -0.18008E-01 8992 0.234E+01 0.223E-01 RMM: 2 -0.316800480577E+03 -0.21798E-01 -0.15088E-01 5528 0.800E-01 0.111E+00 RMM: 3 -0.316791058987E+03 0.94216E-02 -0.11065E-02 5679 0.221E-01 0.220E-01 RMM: 4 -0.316790686468E+03 0.37252E-03 -0.95747E-04 4807 0.650E-02 0.108E-01 RMM: 5 -0.316790639200E+03 0.47268E-04 -0.14128E-04 3843 0.303E-02 0.889E-02 RMM: 6 -0.316790591342E+03 0.47858E-04 -0.37973E-05 3004 0.183E-02 0.449E-02 RMM: 7 -0.316790598641E+03 -0.72992E-05 -0.22666E-05 2568 0.140E-02 8555 T= 6127. E= 0.67575727E+03 F= 0.63947839E+03 E0= 0.66813764E+03 EK= 0.49891E+02 SP= -.14E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316187383339E+03 0.60321E+00 -0.16650E-01 8848 0.232E+01 0.222E-01 RMM: 2 -0.316208782139E+03 -0.21399E-01 -0.15033E-01 5367 0.826E-01 0.107E+00 RMM: 3 -0.316199874552E+03 0.89076E-02 -0.12448E-02 5689 0.228E-01 0.215E-01 RMM: 4 -0.316199484455E+03 0.39010E-03 -0.95722E-04 4823 0.654E-02 0.107E-01 RMM: 5 -0.316199454825E+03 0.29630E-04 -0.14979E-04 3831 0.315E-02 0.983E-02 RMM: 6 -0.316199394905E+03 0.59920E-04 -0.43359E-05 3104 0.196E-02 0.385E-02 RMM: 7 -0.316199401592E+03 -0.66870E-05 -0.18715E-05 2534 0.130E-02 8556 T= 6066. E= 0.67575817E+03 F= 0.64006959E+03 E0= 0.66870059E+03 EK= 0.49398E+02 SP= -.14E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315748217484E+03 0.45118E+00 -0.14744E-01 8760 0.232E+01 0.224E-01 RMM: 2 -0.315767796649E+03 -0.19579E-01 -0.13152E-01 5429 0.767E-01 0.109E+00 RMM: 3 -0.315758970375E+03 0.88263E-02 -0.10696E-02 5662 0.214E-01 0.226E-01 RMM: 4 -0.315758560704E+03 0.40967E-03 -0.93103E-04 4758 0.647E-02 0.102E-01 RMM: 5 -0.315758519119E+03 0.41585E-04 -0.13509E-04 3833 0.294E-02 0.887E-02 RMM: 6 -0.315758471148E+03 0.47971E-04 -0.33759E-05 2911 0.176E-02 0.432E-02 RMM: 7 -0.315758474998E+03 -0.38508E-05 -0.19008E-05 2535 0.130E-02 8557 T= 6026. E= 0.67575982E+03 F= 0.64051051E+03 E0= 0.66911278E+03 EK= 0.49070E+02 SP= -.14E+02 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315478889959E+03 0.27958E+00 -0.13790E-01 8608 0.231E+01 0.204E-01 RMM: 2 -0.315498488209E+03 -0.19598E-01 -0.14067E-01 5267 0.799E-01 0.101E+00 RMM: 3 -0.315490720641E+03 0.77676E-02 -0.12826E-02 5783 0.221E-01 0.203E-01 RMM: 4 -0.315490327144E+03 0.39350E-03 -0.86608E-04 4777 0.623E-02 0.103E-01 RMM: 5 -0.315490281351E+03 0.45793E-04 -0.12981E-04 3776 0.291E-02 0.860E-02 RMM: 6 -0.315490238332E+03 0.43020E-04 -0.33357E-05 2899 0.175E-02 0.440E-02 RMM: 7 -0.315490244197E+03 -0.58651E-05 -0.21693E-05 2556 0.137E-02 8558 T= 6009. E= 0.67576131E+03 F= 0.64077875E+03 E0= 0.66935344E+03 EK= 0.48932E+02 SP= -.14E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315412344260E+03 0.77894E-01 -0.12828E-01 8664 0.231E+01 0.215E-01 RMM: 2 -0.315430955250E+03 -0.18611E-01 -0.13229E-01 5217 0.779E-01 0.102E+00 RMM: 3 -0.315423211112E+03 0.77441E-02 -0.12207E-02 5812 0.221E-01 0.204E-01 RMM: 4 -0.315422830803E+03 0.38031E-03 -0.88439E-04 4801 0.627E-02 0.100E-01 RMM: 5 -0.315422780475E+03 0.50329E-04 -0.11873E-04 3774 0.274E-02 0.850E-02 RMM: 6 -0.315422738953E+03 0.41522E-04 -0.29426E-05 2753 0.166E-02 0.447E-02 RMM: 7 -0.315422741374E+03 -0.24211E-05 -0.18986E-05 2542 0.129E-02 8559 T= 6018. E= 0.67576272E+03 F= 0.64084625E+03 E0= 0.66939543E+03 EK= 0.49011E+02 SP= -.14E+02 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315577218626E+03 -0.15448E+00 -0.11820E-01 8640 0.232E+01 0.199E-01 RMM: 2 -0.315593727371E+03 -0.16509E-01 -0.11882E-01 5340 0.730E-01 0.949E-01 RMM: 3 -0.315586815658E+03 0.69117E-02 -0.10027E-02 5836 0.202E-01 0.200E-01 RMM: 4 -0.315586489361E+03 0.32630E-03 -0.75272E-04 4725 0.583E-02 0.102E-01 RMM: 5 -0.315586433591E+03 0.55770E-04 -0.10784E-04 3693 0.259E-02 0.828E-02 RMM: 6 -0.315586396145E+03 0.37446E-04 -0.26384E-05 2708 0.159E-02 0.485E-02 RMM: 7 -0.315586396747E+03 -0.60197E-06 -0.24154E-05 2599 0.140E-02 8560 T= 6059. E= 0.67576338E+03 F= 0.64068259E+03 E0= 0.66920976E+03 EK= 0.49339E+02 SP= -.14E+02 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315998111639E+03 -0.41172E+00 -0.11394E-01 8408 0.233E+01 0.213E-01 RMM: 2 -0.316015070959E+03 -0.16959E-01 -0.12012E-01 5344 0.744E-01 0.993E-01 RMM: 3 -0.316007638257E+03 0.74327E-02 -0.10644E-02 5896 0.210E-01 0.190E-01 RMM: 4 -0.316007347493E+03 0.29076E-03 -0.80613E-04 4760 0.600E-02 0.109E-01 RMM: 5 -0.316007280416E+03 0.67077E-04 -0.10736E-04 3711 0.253E-02 0.854E-02 RMM: 6 -0.316007242249E+03 0.38167E-04 -0.28070E-05 2773 0.164E-02 0.474E-02 RMM: 7 -0.316007242566E+03 -0.31671E-06 -0.21833E-05 2587 0.134E-02 8561 T= 6133. E= 0.67576338E+03 F= 0.64026175E+03 E0= 0.66877138E+03 EK= 0.49940E+02 SP= -.15E+02 SK= 0.80E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316692616164E+03 -0.68537E+00 -0.11775E-01 8512 0.235E+01 0.216E-01 RMM: 2 -0.316710201155E+03 -0.17585E-01 -0.12663E-01 5340 0.766E-01 0.982E-01 RMM: 3 -0.316703012532E+03 0.71886E-02 -0.11742E-02 5867 0.217E-01 0.223E-01 RMM: 4 -0.316702607405E+03 0.40513E-03 -0.89451E-04 4728 0.641E-02 0.109E-01 RMM: 5 -0.316702547586E+03 0.59819E-04 -0.13393E-04 3780 0.278E-02 0.908E-02 RMM: 6 -0.316702502129E+03 0.45457E-04 -0.29649E-05 2845 0.168E-02 0.501E-02 RMM: 7 -0.316702500630E+03 0.14994E-05 -0.22272E-05 2575 0.138E-02 8562 T= 6242. E= 0.67576283E+03 F= 0.63956649E+03 E0= 0.66806403E+03 EK= 0.50831E+02 SP= -.15E+02 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317665312004E+03 -0.96281E+00 -0.13097E-01 8744 0.237E+01 0.223E-01 RMM: 2 -0.317684980906E+03 -0.19669E-01 -0.13486E-01 5347 0.791E-01 0.109E+00 RMM: 3 -0.317676244711E+03 0.87362E-02 -0.11876E-02 5853 0.220E-01 0.215E-01 RMM: 4 -0.317675845499E+03 0.39921E-03 -0.93522E-04 4785 0.648E-02 0.103E-01 RMM: 5 -0.317675789165E+03 0.56334E-04 -0.12446E-04 3825 0.263E-02 0.886E-02 RMM: 6 -0.317675751198E+03 0.37967E-04 -0.27941E-05 2768 0.164E-02 0.520E-02 RMM: 7 -0.317675753325E+03 -0.21265E-05 -0.23178E-05 2589 0.139E-02 8563 T= 6387. E= 0.67576072E+03 F= 0.63859324E+03 E0= 0.66708502E+03 EK= 0.52013E+02 SP= -.15E+02 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318897624023E+03 -0.12219E+01 -0.14450E-01 8880 0.240E+01 0.216E-01 RMM: 2 -0.318916723865E+03 -0.19100E-01 -0.14716E-01 5350 0.812E-01 0.945E-01 RMM: 3 -0.318909583730E+03 0.71401E-02 -0.12304E-02 5851 0.224E-01 0.210E-01 RMM: 4 -0.318909232582E+03 0.35115E-03 -0.95306E-04 4800 0.650E-02 0.121E-01 RMM: 5 -0.318909154471E+03 0.78111E-04 -0.13883E-04 3825 0.290E-02 0.925E-02 RMM: 6 -0.318909106169E+03 0.48303E-04 -0.33143E-05 2925 0.176E-02 0.495E-02 RMM: 7 -0.318909103550E+03 0.26190E-05 -0.23295E-05 2570 0.144E-02 8564 T= 6565. E= 0.67575691E+03 F= 0.63735989E+03 E0= 0.66585202E+03 EK= 0.53462E+02 SP= -.15E+02 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320347433277E+03 -0.14383E+01 -0.16044E-01 8904 0.243E+01 0.224E-01 RMM: 2 -0.320369717660E+03 -0.22284E-01 -0.15919E-01 5393 0.843E-01 0.110E+00 RMM: 3 -0.320360198008E+03 0.95197E-02 -0.12554E-02 5992 0.223E-01 0.216E-01 RMM: 4 -0.320359764468E+03 0.43354E-03 -0.95276E-04 4732 0.680E-02 0.108E-01 RMM: 5 -0.320359705137E+03 0.59331E-04 -0.13519E-04 3832 0.283E-02 0.907E-02 RMM: 6 -0.320359665166E+03 0.39971E-04 -0.30093E-05 2813 0.170E-02 0.533E-02 RMM: 7 -0.320359665300E+03 -0.13363E-06 -0.22227E-05 2563 0.137E-02 8565 T= 6770. E= 0.67575088E+03 F= 0.63590932E+03 E0= 0.66440787E+03 EK= 0.55131E+02 SP= -.15E+02 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321940110531E+03 -0.15804E+01 -0.18181E-01 8952 0.247E+01 0.194E-01 RMM: 2 -0.321959381215E+03 -0.19271E-01 -0.16777E-01 5511 0.843E-01 0.778E-01 RMM: 3 -0.321953678013E+03 0.57032E-02 -0.11707E-02 6000 0.215E-01 0.153E-01 RMM: 4 -0.321953480508E+03 0.19751E-03 -0.80091E-04 4883 0.583E-02 0.134E-01 RMM: 5 -0.321953366435E+03 0.11407E-03 -0.11392E-04 3747 0.275E-02 0.785E-02 RMM: 6 -0.321953337162E+03 0.29273E-04 -0.26081E-05 2619 0.154E-02 0.514E-02 RMM: 7 -0.321953329198E+03 0.79641E-05 -0.27928E-05 2615 0.154E-02 8566 T= 6992. E= 0.67574237E+03 F= 0.63431566E+03 E0= 0.66282486E+03 EK= 0.56936E+02 SP= -.16E+02 SK= 0.79E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323570632703E+03 -0.16173E+01 -0.19573E-01 8888 0.251E+01 0.228E-01 RMM: 2 -0.323594860768E+03 -0.24228E-01 -0.18166E-01 5478 0.891E-01 0.107E+00 RMM: 3 -0.323585463432E+03 0.93973E-02 -0.13162E-02 6015 0.226E-01 0.221E-01 RMM: 4 -0.323585007823E+03 0.45561E-03 -0.10031E-03 4723 0.713E-02 0.120E-01 RMM: 5 -0.323584930882E+03 0.76941E-04 -0.15615E-04 3886 0.312E-02 0.946E-02 RMM: 6 -0.323584884273E+03 0.46609E-04 -0.35367E-05 2928 0.181E-02 0.528E-02 RMM: 7 -0.323584882909E+03 0.13644E-05 -0.22941E-05 2565 0.139E-02 8567 T= 7216. E= 0.67573269E+03 F= 0.63268411E+03 E0= 0.66120673E+03 EK= 0.58764E+02 SP= -.16E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325117395500E+03 -0.15325E+01 -0.21018E-01 8928 0.255E+01 0.203E-01 RMM: 2 -0.325138747797E+03 -0.21352E-01 -0.18841E-01 5595 0.889E-01 0.789E-01 RMM: 3 -0.325132576943E+03 0.61709E-02 -0.12152E-02 6168 0.218E-01 0.150E-01 RMM: 4 -0.325132380274E+03 0.19667E-03 -0.78175E-04 4858 0.583E-02 0.138E-01 RMM: 5 -0.325132247644E+03 0.13263E-03 -0.11791E-04 3817 0.289E-02 0.692E-02 RMM: 6 -0.325132230628E+03 0.17016E-04 -0.26309E-05 2585 0.150E-02 8568 T= 7427. E= 0.67572340E+03 F= 0.63113676E+03 E0= 0.65967382E+03 EK= 0.60484E+02 SP= -.16E+02 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326456376543E+03 -0.13241E+01 -0.21779E-01 8928 0.259E+01 0.230E-01 RMM: 2 -0.326483385547E+03 -0.27009E-01 -0.19565E-01 5606 0.908E-01 0.116E+00 RMM: 3 -0.326472280883E+03 0.11105E-01 -0.12873E-02 5722 0.236E-01 0.236E-01 RMM: 4 -0.326471848063E+03 0.43282E-03 -0.10879E-03 4803 0.696E-02 0.114E-01 RMM: 5 -0.326471761895E+03 0.86168E-04 -0.15134E-04 3916 0.310E-02 0.851E-02 RMM: 6 -0.326471732483E+03 0.29412E-04 -0.34242E-05 2827 0.175E-02 0.632E-02 RMM: 7 -0.326471731761E+03 0.72222E-06 -0.35113E-05 2698 0.170E-02 8569 T= 7609. E= 0.67571439E+03 F= 0.62979726E+03 E0= 0.65834893E+03 EK= 0.61960E+02 SP= -.16E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327474909170E+03 -0.10032E+01 -0.22425E-01 8896 0.262E+01 0.248E-01 RMM: 2 -0.327499524858E+03 -0.24616E-01 -0.19539E-01 5500 0.934E-01 0.103E+00 RMM: 3 -0.327490757444E+03 0.87674E-02 -0.14131E-02 5894 0.245E-01 0.218E-01 RMM: 4 -0.327490404367E+03 0.35308E-03 -0.11356E-03 4782 0.718E-02 0.142E-01 RMM: 5 -0.327490280306E+03 0.12406E-03 -0.18646E-04 3887 0.357E-02 0.878E-02 RMM: 6 -0.327490237861E+03 0.42445E-04 -0.40270E-05 3026 0.188E-02 0.485E-02 RMM: 7 -0.327490239685E+03 -0.18243E-05 -0.25315E-05 2558 0.151E-02 8570 T= 7745. E= 0.67570744E+03 F= 0.62877875E+03 E0= 0.65734418E+03 EK= 0.63070E+02 SP= -.16E+02 SK= 0.72E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328088906060E+03 -0.59867E+00 -0.22614E-01 8904 0.264E+01 0.208E-01 RMM: 2 -0.328113188228E+03 -0.24282E-01 -0.19776E-01 5530 0.922E-01 0.950E-01 RMM: 3 -0.328105131190E+03 0.80570E-02 -0.13176E-02 5862 0.232E-01 0.197E-01 RMM: 4 -0.328104819961E+03 0.31123E-03 -0.92776E-04 4842 0.650E-02 0.130E-01 RMM: 5 -0.328104694802E+03 0.12516E-03 -0.14252E-04 3879 0.315E-02 0.779E-02 RMM: 6 -0.328104669235E+03 0.25567E-04 -0.37956E-05 2973 0.179E-02 0.603E-02 RMM: 7 -0.328104652201E+03 0.17035E-04 -0.51364E-05 2983 0.201E-02 8571 T= 7825. E= 0.67570367E+03 F= 0.62816434E+03 E0= 0.65674277E+03 EK= 0.63724E+02 SP= -.16E+02 SK= 0.23E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328260094709E+03 -0.15543E+00 -0.21463E-01 8928 0.265E+01 0.184E-01 RMM: 2 -0.328280787525E+03 -0.20693E-01 -0.18841E-01 5460 0.911E-01 0.703E-01 RMM: 3 -0.328275769910E+03 0.50176E-02 -0.13282E-02 6143 0.223E-01 0.144E-01 RMM: 4 -0.328275536375E+03 0.23353E-03 -0.70105E-04 4801 0.585E-02 0.134E-01 RMM: 5 -0.328275412102E+03 0.12427E-03 -0.11130E-04 3778 0.289E-02 0.675E-02 RMM: 6 -0.328275395222E+03 0.16880E-04 -0.27878E-05 2652 0.157E-02 8572 T= 7844. E= 0.67570366E+03 F= 0.62799359E+03 E0= 0.65658437E+03 EK= 0.63877E+02 SP= -.16E+02 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327997729271E+03 0.27768E+00 -0.20419E-01 8672 0.264E+01 0.263E-01 RMM: 2 -0.328030289339E+03 -0.32560E-01 -0.18932E-01 5383 0.932E-01 0.148E+00 RMM: 3 -0.328013213703E+03 0.17076E-01 -0.15808E-02 5547 0.266E-01 0.213E-01 RMM: 4 -0.328012826631E+03 0.38707E-03 -0.13003E-03 4887 0.742E-02 0.109E-01 RMM: 5 -0.328012751109E+03 0.75522E-04 -0.15902E-04 4228 0.305E-02 0.795E-02 RMM: 6 -0.328012722791E+03 0.28318E-04 -0.29551E-05 2664 0.162E-02 0.594E-02 RMM: 7 -0.328012732896E+03 -0.10105E-04 -0.41404E-05 3006 0.191E-02 8573 T= 7802. E= 0.67570745E+03 F= 0.62825626E+03 E0= 0.65685874E+03 EK= 0.63539E+02 SP= -.16E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327364310954E+03 0.64841E+00 -0.18298E-01 8448 0.263E+01 0.216E-01 RMM: 2 -0.327386770955E+03 -0.22460E-01 -0.17048E-01 5352 0.894E-01 0.101E+00 RMM: 3 -0.327378326872E+03 0.84441E-02 -0.13635E-02 5567 0.244E-01 0.224E-01 RMM: 4 -0.327377986245E+03 0.34063E-03 -0.11714E-03 4853 0.757E-02 0.132E-01 RMM: 5 -0.327377884590E+03 0.10165E-03 -0.16736E-04 3900 0.321E-02 0.827E-02 RMM: 6 -0.327377844742E+03 0.39848E-04 -0.31006E-05 2838 0.171E-02 0.419E-02 RMM: 7 -0.327377849401E+03 -0.46590E-05 -0.24740E-05 2567 0.151E-02 8574 T= 7708. E= 0.67571427E+03 F= 0.62889114E+03 E0= 0.65750425E+03 EK= 0.62773E+02 SP= -.16E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326461192469E+03 0.91665E+00 -0.17124E-01 8488 0.261E+01 0.219E-01 RMM: 2 -0.326483687074E+03 -0.22495E-01 -0.17018E-01 5237 0.905E-01 0.102E+00 RMM: 3 -0.326475423413E+03 0.82637E-02 -0.15222E-02 5944 0.241E-01 0.194E-01 RMM: 4 -0.326475036867E+03 0.38655E-03 -0.91875E-04 4762 0.679E-02 0.124E-01 RMM: 5 -0.326474942264E+03 0.94603E-04 -0.13298E-04 3829 0.302E-02 0.830E-02 RMM: 6 -0.326474907112E+03 0.35152E-04 -0.34425E-05 2875 0.179E-02 0.526E-02 RMM: 7 -0.326474911774E+03 -0.46622E-05 -0.34067E-05 2641 0.170E-02 8575 T= 7575. E= 0.67572402E+03 F= 0.62979408E+03 E0= 0.65841569E+03 EK= 0.61689E+02 SP= -.16E+02 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325425736306E+03 0.10492E+01 -0.16174E-01 7952 0.258E+01 0.221E-01 RMM: 2 -0.325447411903E+03 -0.21676E-01 -0.16526E-01 5050 0.925E-01 0.101E+00 RMM: 3 -0.325439687827E+03 0.77241E-02 -0.16840E-02 5880 0.256E-01 0.176E-01 RMM: 4 -0.325439323156E+03 0.36467E-03 -0.95816E-04 4840 0.681E-02 0.128E-01 RMM: 5 -0.325439232477E+03 0.90679E-04 -0.13536E-04 3864 0.326E-02 0.753E-02 RMM: 6 -0.325439203142E+03 0.29335E-04 -0.32060E-05 2795 0.170E-02 0.493E-02 RMM: 7 -0.325439205262E+03 -0.21204E-05 -0.27815E-05 2593 0.164E-02 8576 T= 7421. E= 0.67573450E+03 F= 0.63082978E+03 E0= 0.65945807E+03 EK= 0.60430E+02 SP= -.16E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324403392177E+03 0.10358E+01 -0.14877E-01 7728 0.255E+01 0.182E-01 RMM: 2 -0.324421084115E+03 -0.17692E-01 -0.15778E-01 5037 0.900E-01 0.703E-01 RMM: 3 -0.324416915158E+03 0.41690E-02 -0.15902E-02 6106 0.233E-01 0.156E-01 RMM: 4 -0.324416585634E+03 0.32952E-03 -0.75332E-04 4761 0.649E-02 0.137E-01 RMM: 5 -0.324416466056E+03 0.11958E-03 -0.11586E-04 3767 0.308E-02 0.732E-02 RMM: 6 -0.324416441323E+03 0.24733E-04 -0.29204E-05 2658 0.164E-02 0.501E-02 RMM: 7 -0.324416438625E+03 0.26984E-05 -0.30586E-05 2609 0.161E-02 8577 T= 7263. E= 0.67574438E+03 F= 0.63185255E+03 E0= 0.66048369E+03 EK= 0.59148E+02 SP= -.15E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323531024934E+03 0.88542E+00 -0.13953E-01 7624 0.252E+01 0.217E-01 RMM: 2 -0.323550545272E+03 -0.19520E-01 -0.14543E-01 4985 0.889E-01 0.996E-01 RMM: 3 -0.323543289322E+03 0.72560E-02 -0.15641E-02 5868 0.244E-01 0.188E-01 RMM: 4 -0.323542888838E+03 0.40048E-03 -0.88263E-04 4807 0.665E-02 0.116E-01 RMM: 5 -0.323542825188E+03 0.63649E-04 -0.12958E-04 3843 0.316E-02 0.816E-02 RMM: 6 -0.323542787439E+03 0.37749E-04 -0.35291E-05 2931 0.179E-02 0.464E-02 RMM: 7 -0.323542789095E+03 -0.16557E-05 -0.29016E-05 2599 0.164E-02 8578 T= 7121. E= 0.67575231E+03 F= 0.63272620E+03 E0= 0.66135715E+03 EK= 0.57986E+02 SP= -.15E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322913379780E+03 0.62941E+00 -0.13757E-01 7544 0.251E+01 0.196E-01 RMM: 2 -0.322931509637E+03 -0.18130E-01 -0.15132E-01 4827 0.932E-01 0.829E-01 RMM: 3 -0.322926639057E+03 0.48706E-02 -0.17533E-02 5974 0.246E-01 0.163E-01 RMM: 4 -0.322926245881E+03 0.39318E-03 -0.83112E-04 4805 0.677E-02 0.123E-01 RMM: 5 -0.322926159375E+03 0.86506E-04 -0.12781E-04 3898 0.329E-02 0.685E-02 RMM: 6 -0.322926135060E+03 0.24315E-04 -0.29465E-05 2632 0.163E-02 0.433E-02 RMM: 7 -0.322926135612E+03 -0.55161E-06 -0.22104E-05 2526 0.145E-02 8579 T= 7007. E= 0.67575804E+03 F= 0.63334285E+03 E0= 0.66196984E+03 EK= 0.57059E+02 SP= -.15E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322629006129E+03 0.29713E+00 -0.12896E-01 7688 0.249E+01 0.192E-01 RMM: 2 -0.322643586109E+03 -0.14580E-01 -0.11207E-01 4878 0.813E-01 0.843E-01 RMM: 3 -0.322638622244E+03 0.49639E-02 -0.13040E-02 5816 0.226E-01 0.157E-01 RMM: 4 -0.322638347556E+03 0.27469E-03 -0.66699E-04 4781 0.586E-02 0.112E-01 RMM: 5 -0.322638283173E+03 0.64382E-04 -0.10748E-04 3709 0.302E-02 0.729E-02 RMM: 6 -0.322638251849E+03 0.31324E-04 -0.31344E-05 2761 0.169E-02 0.423E-02 RMM: 7 -0.322638246916E+03 0.49334E-05 -0.32878E-05 2620 0.175E-02 8580 T= 6931. E= 0.67576110E+03 F= 0.63363074E+03 E0= 0.66225077E+03 EK= 0.56441E+02 SP= -.15E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322701313953E+03 -0.63062E-01 -0.13420E-01 7576 0.249E+01 0.185E-01 RMM: 2 -0.322717091063E+03 -0.15777E-01 -0.13141E-01 4781 0.892E-01 0.782E-01 RMM: 3 -0.322712807073E+03 0.42840E-02 -0.15505E-02 5975 0.234E-01 0.163E-01 RMM: 4 -0.322712444363E+03 0.36271E-03 -0.73334E-04 4749 0.666E-02 0.111E-01 RMM: 5 -0.322712374526E+03 0.69837E-04 -0.11531E-04 3747 0.310E-02 0.665E-02 RMM: 6 -0.322712351690E+03 0.22836E-04 -0.27509E-05 2589 0.157E-02 0.394E-02 RMM: 7 -0.322712351672E+03 0.17575E-07 -0.21215E-05 2511 0.145E-02 8581 T= 6897. E= 0.67576102E+03 F= 0.63355664E+03 E0= 0.66216730E+03 EK= 0.56167E+02 SP= -.14E+02 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323132498373E+03 -0.42015E+00 -0.12471E-01 7520 0.249E+01 0.167E-01 RMM: 2 -0.323145473066E+03 -0.12975E-01 -0.11409E-01 4897 0.817E-01 0.659E-01 RMM: 3 -0.323142428425E+03 0.30446E-02 -0.12842E-02 5993 0.209E-01 0.123E-01 RMM: 4 -0.323142200552E+03 0.22787E-03 -0.55872E-04 4734 0.575E-02 0.127E-01 RMM: 5 -0.323142102127E+03 0.98425E-04 -0.96873E-05 3673 0.301E-02 0.566E-02 RMM: 6 -0.323142087634E+03 0.14494E-04 -0.25657E-05 2564 0.151E-02 8582 T= 6905. E= 0.67575905E+03 F= 0.63312690E+03 E0= 0.66172658E+03 EK= 0.56231E+02 SP= -.14E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323881521753E+03 -0.73942E+00 -0.12371E-01 7248 0.250E+01 0.206E-01 RMM: 2 -0.323898535145E+03 -0.17013E-01 -0.10221E-01 4963 0.771E-01 0.109E+00 RMM: 3 -0.323890162297E+03 0.83728E-02 -0.11414E-02 5536 0.223E-01 0.189E-01 RMM: 4 -0.323889886005E+03 0.27629E-03 -0.79464E-04 4704 0.610E-02 0.919E-02 RMM: 5 -0.323889835850E+03 0.50156E-04 -0.11026E-04 3860 0.280E-02 0.687E-02 RMM: 6 -0.323889812553E+03 0.23297E-04 -0.26200E-05 2592 0.152E-02 0.497E-02 RMM: 7 -0.323889817410E+03 -0.48567E-05 -0.31151E-05 2654 0.171E-02 8583 T= 6950. E= 0.67575514E+03 F= 0.63237917E+03 E0= 0.66096772E+03 EK= 0.56593E+02 SP= -.13E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324885608560E+03 -0.99580E+00 -0.12385E-01 7264 0.251E+01 0.235E-01 RMM: 2 -0.324903203944E+03 -0.17595E-01 -0.10421E-01 4954 0.796E-01 0.114E+00 RMM: 3 -0.324894322828E+03 0.88811E-02 -0.12371E-02 5504 0.235E-01 0.235E-01 RMM: 4 -0.324893942370E+03 0.38046E-03 -0.11045E-03 4752 0.746E-02 0.118E-01 RMM: 5 -0.324893898821E+03 0.43549E-04 -0.17610E-04 3870 0.345E-02 0.994E-02 RMM: 6 -0.324893832361E+03 0.66460E-04 -0.43404E-05 3091 0.200E-02 0.308E-02 RMM: 7 -0.324893833752E+03 -0.13915E-05 -0.16546E-05 2503 0.126E-02 8584 T= 7023. E= 0.67574984E+03 F= 0.63137516E+03 E0= 0.65995287E+03 EK= 0.57188E+02 SP= -.13E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326069583110E+03 -0.11758E+01 -0.12073E-01 7256 0.252E+01 0.202E-01 RMM: 2 -0.326083565060E+03 -0.13982E-01 -0.89522E-02 5111 0.728E-01 0.978E-01 RMM: 3 -0.326076974070E+03 0.65910E-02 -0.94169E-03 5535 0.203E-01 0.174E-01 RMM: 4 -0.326076758981E+03 0.21509E-03 -0.70374E-04 4631 0.584E-02 0.108E-01 RMM: 5 -0.326076688656E+03 0.70325E-04 -0.10505E-04 3775 0.273E-02 0.753E-02 RMM: 6 -0.326076654727E+03 0.33929E-04 -0.28342E-05 2684 0.163E-02 0.418E-02 RMM: 7 -0.326076653954E+03 0.77234E-06 -0.23189E-05 2529 0.146E-02 8585 T= 7114. E= 0.67574422E+03 F= 0.63019234E+03 E0= 0.65876004E+03 EK= 0.57936E+02 SP= -.13E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327349074139E+03 -0.12724E+01 -0.11728E-01 7440 0.253E+01 0.175E-01 RMM: 2 -0.327360016030E+03 -0.10942E-01 -0.87294E-02 5019 0.723E-01 0.722E-01 RMM: 3 -0.327356502287E+03 0.35137E-02 -0.95643E-03 5659 0.195E-01 0.143E-01 RMM: 4 -0.327356351211E+03 0.15108E-03 -0.55050E-04 4694 0.526E-02 0.116E-01 RMM: 5 -0.327356262111E+03 0.89101E-04 -0.92604E-05 3679 0.272E-02 0.572E-02 RMM: 6 -0.327356244141E+03 0.17970E-04 -0.23277E-05 2559 0.146E-02 8586 T= 7214. E= 0.67573869E+03 F= 0.62891275E+03 E0= 0.65747216E+03 EK= 0.58748E+02 SP= -.12E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328644773135E+03 -0.12885E+01 -0.11677E-01 7424 0.254E+01 0.196E-01 RMM: 2 -0.328658214904E+03 -0.13442E-01 -0.90670E-02 5079 0.732E-01 0.919E-01 RMM: 3 -0.328652370667E+03 0.58442E-02 -0.98025E-03 5528 0.206E-01 0.170E-01 RMM: 4 -0.328652157786E+03 0.21288E-03 -0.68962E-04 4692 0.566E-02 0.966E-02 RMM: 5 -0.328652091429E+03 0.66357E-04 -0.94114E-05 3751 0.255E-02 0.684E-02 RMM: 6 -0.328652068184E+03 0.23245E-04 -0.25038E-05 2571 0.153E-02 0.453E-02 RMM: 7 -0.328652067391E+03 0.79340E-06 -0.21742E-05 2516 0.142E-02 8587 T= 7311. E= 0.67573288E+03 F= 0.62761692E+03 E0= 0.65616887E+03 EK= 0.59540E+02 SP= -.12E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329879752799E+03 -0.12277E+01 -0.12486E-01 7384 0.255E+01 0.200E-01 RMM: 2 -0.329893037467E+03 -0.13285E-01 -0.93016E-02 4922 0.761E-01 0.903E-01 RMM: 3 -0.329887674047E+03 0.53634E-02 -0.11061E-02 5595 0.215E-01 0.188E-01 RMM: 4 -0.329887420046E+03 0.25400E-03 -0.79878E-04 4674 0.645E-02 0.121E-01 RMM: 5 -0.329887343037E+03 0.77008E-04 -0.13482E-04 3828 0.322E-02 0.742E-02 RMM: 6 -0.329887308932E+03 0.34106E-04 -0.30804E-05 2806 0.170E-02 0.319E-02 RMM: 7 -0.329887310403E+03 -0.14709E-05 -0.15717E-05 2496 0.125E-02 8588 T= 7396. E= 0.67572753E+03 F= 0.62638168E+03 E0= 0.65492719E+03 EK= 0.60230E+02 SP= -.11E+02 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330983639645E+03 -0.10963E+01 -0.12811E-01 7400 0.256E+01 0.186E-01 RMM: 2 -0.330998476088E+03 -0.14836E-01 -0.11126E-01 4874 0.813E-01 0.869E-01 RMM: 3 -0.330993326148E+03 0.51499E-02 -0.13088E-02 5784 0.220E-01 0.162E-01 RMM: 4 -0.330993041691E+03 0.28446E-03 -0.68559E-04 4704 0.606E-02 0.109E-01 RMM: 5 -0.330992962552E+03 0.79139E-04 -0.11239E-04 3755 0.297E-02 0.682E-02 RMM: 6 -0.330992937651E+03 0.24901E-04 -0.29317E-05 2621 0.163E-02 0.400E-02 RMM: 7 -0.330992934527E+03 0.31243E-05 -0.21199E-05 2514 0.139E-02 8589 T= 7460. E= 0.67572284E+03 F= 0.62527605E+03 E0= 0.65381305E+03 EK= 0.60746E+02 SP= -.11E+02 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331900611453E+03 -0.90767E+00 -0.12500E-01 7544 0.257E+01 0.157E-01 RMM: 2 -0.331911997347E+03 -0.11386E-01 -0.97737E-02 4877 0.762E-01 0.658E-01 RMM: 3 -0.331909058732E+03 0.29386E-02 -0.11359E-02 5940 0.201E-01 0.126E-01 RMM: 4 -0.331908844934E+03 0.21380E-03 -0.50731E-04 4639 0.535E-02 0.111E-01 RMM: 5 -0.331908764297E+03 0.80637E-04 -0.85608E-05 3581 0.278E-02 0.562E-02 RMM: 6 -0.331908749989E+03 0.14308E-04 -0.23690E-05 2546 0.144E-02 8590 T= 7494. E= 0.67571859E+03 F= 0.62436024E+03 E0= 0.65288651E+03 EK= 0.61027E+02 SP= -.10E+02 SK= 0.65E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332573842161E+03 -0.66508E+00 -0.12732E-01 7520 0.257E+01 0.172E-01 RMM: 2 -0.332588400107E+03 -0.14558E-01 -0.10664E-01 4896 0.777E-01 0.866E-01 RMM: 3 -0.332583100464E+03 0.52996E-02 -0.12012E-02 5694 0.214E-01 0.164E-01 RMM: 4 -0.332582838635E+03 0.26183E-03 -0.66410E-04 4682 0.579E-02 0.909E-02 RMM: 5 -0.332582777650E+03 0.60985E-04 -0.97191E-05 3763 0.271E-02 0.592E-02 RMM: 6 -0.332582762011E+03 0.15640E-04 -0.24412E-05 2556 0.146E-02 8591 T= 7493. E= 0.67571583E+03 F= 0.62368623E+03 E0= 0.65219740E+03 EK= 0.61022E+02 SP= -.97E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332967661356E+03 -0.38488E+00 -0.12974E-01 7344 0.257E+01 0.300E-01 RMM: 2 -0.332997448626E+03 -0.29787E-01 -0.11115E-01 4869 0.833E-01 0.175E+00 RMM: 3 -0.332976354639E+03 0.21094E-01 -0.15229E-02 5409 0.288E-01 0.256E-01 RMM: 4 -0.332975861001E+03 0.49364E-03 -0.15200E-03 4813 0.789E-02 0.806E-02 RMM: 5 -0.332975832060E+03 0.28940E-04 -0.17156E-04 4162 0.301E-02 0.808E-02 RMM: 6 -0.332975794019E+03 0.38041E-04 -0.33148E-05 2800 0.175E-02 0.413E-02 RMM: 7 -0.332975805220E+03 -0.11201E-04 -0.27585E-05 2557 0.161E-02 8592 T= 7453. E= 0.67571397E+03 F= 0.62329318E+03 E0= 0.65178442E+03 EK= 0.60696E+02 SP= -.91E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333056378947E+03 -0.80585E-01 -0.13288E-01 7400 0.256E+01 0.212E-01 RMM: 2 -0.333073751386E+03 -0.17372E-01 -0.12049E-01 4762 0.839E-01 0.101E+00 RMM: 3 -0.333066678260E+03 0.70731E-02 -0.14715E-02 5546 0.251E-01 0.226E-01 RMM: 4 -0.333066323100E+03 0.35516E-03 -0.11291E-03 4822 0.728E-02 0.111E-01 RMM: 5 -0.333066267023E+03 0.56077E-04 -0.16467E-04 3892 0.315E-02 0.818E-02 RMM: 6 -0.333066223584E+03 0.43439E-04 -0.33046E-05 2885 0.171E-02 0.281E-02 RMM: 7 -0.333066225738E+03 -0.21542E-05 -0.15543E-05 2496 0.125E-02 8593 T= 7372. E= 0.67571385E+03 F= 0.62320276E+03 E0= 0.65166990E+03 EK= 0.60033E+02 SP= -.84E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332843480163E+03 0.22274E+00 -0.13515E-01 7472 0.254E+01 0.180E-01 RMM: 2 -0.332860276237E+03 -0.16796E-01 -0.13039E-01 4745 0.868E-01 0.870E-01 RMM: 3 -0.332855017804E+03 0.52584E-02 -0.15832E-02 5927 0.233E-01 0.150E-01 RMM: 4 -0.332854663453E+03 0.35435E-03 -0.72999E-04 4827 0.622E-02 0.937E-02 RMM: 5 -0.332854608291E+03 0.55162E-04 -0.10644E-04 3853 0.284E-02 0.647E-02 RMM: 6 -0.332854585362E+03 0.22929E-04 -0.28521E-05 2594 0.161E-02 0.377E-02 RMM: 7 -0.332854588520E+03 -0.31586E-05 -0.24092E-05 2573 0.143E-02 8594 T= 7250. E= 0.67571581E+03 F= 0.62341440E+03 E0= 0.65185252E+03 EK= 0.59043E+02 SP= -.78E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332357289187E+03 0.49730E+00 -0.13669E-01 7648 0.252E+01 0.176E-01 RMM: 2 -0.332372989185E+03 -0.15700E-01 -0.12473E-01 4717 0.853E-01 0.817E-01 RMM: 3 -0.332368249004E+03 0.47402E-02 -0.15102E-02 5972 0.228E-01 0.148E-01 RMM: 4 -0.332367930469E+03 0.31853E-03 -0.71346E-04 4747 0.629E-02 0.990E-02 RMM: 5 -0.332367870753E+03 0.59716E-04 -0.10384E-04 3716 0.289E-02 0.569E-02 RMM: 6 -0.332367855199E+03 0.15553E-04 -0.24957E-05 2547 0.147E-02 8595 T= 7093. E= 0.67571975E+03 F= 0.62390113E+03 E0= 0.65230846E+03 EK= 0.57763E+02 SP= -.70E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331644168217E+03 0.72370E+00 -0.14398E-01 7504 0.249E+01 0.176E-01 RMM: 2 -0.331663801181E+03 -0.19633E-01 -0.15286E-01 4719 0.938E-01 0.897E-01 RMM: 3 -0.331657963788E+03 0.58374E-02 -0.18467E-02 5921 0.246E-01 0.162E-01 RMM: 4 -0.331657540337E+03 0.42345E-03 -0.81164E-04 4888 0.656E-02 0.904E-02 RMM: 5 -0.331657482806E+03 0.57531E-04 -0.10955E-04 4029 0.290E-02 0.601E-02 RMM: 6 -0.331657470563E+03 0.12244E-04 -0.26210E-05 2556 0.154E-02 8596 T= 6908. E= 0.67572578E+03 F= 0.62461152E+03 E0= 0.65298778E+03 EK= 0.56256E+02 SP= -.63E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330787346819E+03 0.87014E+00 -0.12467E-01 7368 0.245E+01 0.311E-01 RMM: 2 -0.330816293898E+03 -0.28947E-01 -0.10401E-01 4786 0.807E-01 0.172E+00 RMM: 3 -0.330795514327E+03 0.20780E-01 -0.15653E-02 5387 0.298E-01 0.300E-01 RMM: 4 -0.330794854976E+03 0.65935E-03 -0.16392E-03 4926 0.827E-02 0.772E-02 RMM: 5 -0.330794858987E+03 -0.40109E-05 -0.18830E-04 4160 0.307E-02 8597 T= 6705. E= 0.67573378E+03 F= 0.62547413E+03 E0= 0.65382107E+03 EK= 0.54604E+02 SP= -.55E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329850906299E+03 0.94395E+00 -0.12954E-01 7560 0.242E+01 0.211E-01 RMM: 2 -0.329871593469E+03 -0.20687E-01 -0.12681E-01 4739 0.849E-01 0.113E+00 RMM: 3 -0.329862048385E+03 0.95451E-02 -0.15128E-02 5489 0.259E-01 0.226E-01 RMM: 4 -0.329861672206E+03 0.37618E-03 -0.11901E-03 4829 0.728E-02 0.970E-02 RMM: 5 -0.329861630727E+03 0.41479E-04 -0.15534E-04 4261 0.307E-02 0.740E-02 RMM: 6 -0.329861606058E+03 0.24669E-04 -0.29411E-05 2668 0.158E-02 0.538E-02 RMM: 7 -0.329861640049E+03 -0.33991E-04 -0.51399E-05 3238 0.198E-02 0.926E-02 RMM: 8 -0.329861589020E+03 0.51029E-04 -0.69544E-05 3774 0.207E-02 0.283E-02 RMM: 9 -0.329861589070E+03 -0.49358E-07 -0.12953E-05 2493 0.105E-02 8598 T= 6496. E= 0.67574105E+03 F= 0.62640740E+03 E0= 0.65472827E+03 EK= 0.52898E+02 SP= -.48E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328926325972E+03 0.93526E+00 -0.12410E-01 7496 0.238E+01 0.200E-01 RMM: 2 -0.328938925834E+03 -0.12600E-01 -0.10982E-01 4670 0.806E-01 0.680E-01 RMM: 3 -0.328935602860E+03 0.33230E-02 -0.13330E-02 5947 0.215E-01 0.128E-01 RMM: 4 -0.328935584178E+03 0.18682E-04 -0.79936E-04 4716 0.690E-02 0.211E-01 RMM: 5 -0.328935307502E+03 0.27668E-03 -0.19084E-04 3893 0.387E-02 0.713E-02 RMM: 6 -0.328935280124E+03 0.27378E-04 -0.44556E-05 3111 0.200E-02 0.352E-02 RMM: 7 -0.328935292443E+03 -0.12319E-04 -0.20319E-05 2531 0.147E-02 8599 T= 6290. E= 0.67574618E+03 F= 0.62733370E+03 E0= 0.65563466E+03 EK= 0.51220E+02 SP= -.40E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328068095945E+03 0.86718E+00 -0.11945E-01 7776 0.234E+01 0.133E-01 RMM: 2 -0.328079268582E+03 -0.11173E-01 -0.98047E-02 4794 0.747E-01 0.587E-01 RMM: 3 -0.328076788537E+03 0.24800E-02 -0.11780E-02 6106 0.197E-01 0.140E-01 RMM: 4 -0.328076487783E+03 0.30075E-03 -0.46836E-04 4605 0.525E-02 0.664E-02 RMM: 5 -0.328076454603E+03 0.33180E-04 -0.59959E-05 3277 0.234E-02 0.466E-02 RMM: 6 -0.328076452920E+03 0.16837E-05 -0.23209E-05 2525 0.147E-02 8600 T= 6096. E= 0.67575005E+03 F= 0.62819254E+03 E0= 0.65648060E+03 EK= 0.49641E+02 SP= -.32E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327313635713E+03 0.76282E+00 -0.11860E-01 7872 0.231E+01 0.220E-01 RMM: 2 -0.327333265890E+03 -0.19630E-01 -0.10417E-01 4717 0.774E-01 0.124E+00 RMM: 3 -0.327322502377E+03 0.10764E-01 -0.12903E-02 5457 0.243E-01 0.209E-01 RMM: 4 -0.327322157181E+03 0.34520E-03 -0.10620E-03 4875 0.661E-02 0.738E-02 RMM: 5 -0.327322144990E+03 0.12191E-04 -0.12418E-04 4048 0.281E-02 8601 T= 5919. E= 0.67575300E+03 F= 0.62894684E+03 E0= 0.65722956E+03 EK= 0.48201E+02 SP= -.25E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326684902441E+03 0.63725E+00 -0.11449E-01 7864 0.229E+01 0.167E-01 RMM: 2 -0.326698436017E+03 -0.13534E-01 -0.93314E-02 4963 0.702E-01 0.854E-01 RMM: 3 -0.326693040681E+03 0.53953E-02 -0.10280E-02 5530 0.209E-01 0.200E-01 RMM: 4 -0.326692733568E+03 0.30711E-03 -0.74728E-04 4792 0.579E-02 0.841E-02 RMM: 5 -0.326692698800E+03 0.34768E-04 -0.87406E-05 3818 0.240E-02 0.715E-02 RMM: 6 -0.326692686825E+03 0.11974E-04 -0.25677E-05 2565 0.153E-02 8602 T= 5762. E= 0.67575504E+03 F= 0.62957630E+03 E0= 0.65786148E+03 EK= 0.46923E+02 SP= -.18E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326191069872E+03 0.50163E+00 -0.11500E-01 7880 0.227E+01 0.305E-01 RMM: 2 -0.326220532723E+03 -0.29463E-01 -0.11595E-01 4716 0.808E-01 0.169E+00 RMM: 3 -0.326200492024E+03 0.20041E-01 -0.16256E-02 5374 0.294E-01 0.300E-01 RMM: 4 -0.326199862121E+03 0.62990E-03 -0.17996E-03 4939 0.835E-02 0.895E-02 RMM: 5 -0.326199858321E+03 0.38001E-05 -0.21701E-04 4011 0.334E-02 0.990E-02 RMM: 6 -0.326199800632E+03 0.57690E-04 -0.48017E-05 3160 0.205E-02 0.420E-02 RMM: 7 -0.326199804351E+03 -0.37193E-05 -0.17957E-05 2526 0.134E-02 8603 T= 5627. E= 0.67575641E+03 F= 0.63006918E+03 E0= 0.65836501E+03 EK= 0.45823E+02 SP= -.11E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325848178202E+03 0.35162E+00 -0.10680E-01 7984 0.225E+01 0.324E-01 RMM: 2 -0.325879777255E+03 -0.31599E-01 -0.10156E-01 4926 0.744E-01 0.186E+00 RMM: 3 -0.325856214133E+03 0.23563E-01 -0.15116E-02 5386 0.290E-01 0.337E-01 RMM: 4 -0.325855399245E+03 0.81489E-03 -0.18275E-03 4876 0.882E-02 0.105E-01 RMM: 5 -0.325855402619E+03 -0.33742E-05 -0.25010E-04 3905 0.381E-02 0.113E-01 RMM: 6 -0.325855314626E+03 0.87993E-04 -0.57692E-05 3300 0.220E-02 0.409E-02 RMM: 7 -0.325855311935E+03 0.26917E-05 -0.17671E-05 2523 0.128E-02 8604 T= 5515. E= 0.67575841E+03 F= 0.63041368E+03 E0= 0.65872799E+03 EK= 0.44914E+02 SP= -.40E+00 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325674224784E+03 0.18109E+00 -0.10596E-01 7872 0.223E+01 0.264E-01 RMM: 2 -0.325695326904E+03 -0.21102E-01 -0.10521E-01 4940 0.753E-01 0.136E+00 RMM: 3 -0.325682632291E+03 0.12695E-01 -0.13627E-02 5440 0.258E-01 0.204E-01 RMM: 4 -0.325682334858E+03 0.29743E-03 -0.13293E-03 5307 0.658E-02 0.845E-02 RMM: 5 -0.325682285580E+03 0.49278E-04 -0.11487E-04 3753 0.289E-02 0.803E-02 RMM: 6 -0.325682245317E+03 0.40262E-04 -0.31212E-05 2817 0.171E-02 0.376E-02 RMM: 7 -0.325682249917E+03 -0.45994E-05 -0.19406E-05 2545 0.132E-02 8605 T= 5430. E= 0.67576067E+03 F= 0.63058674E+03 E0= 0.65892770E+03 EK= 0.44218E+02 SP= 0.23E+00 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325708076481E+03 -0.25831E-01 -0.97962E-02 7808 0.221E+01 0.208E-01 RMM: 2 -0.325724315223E+03 -0.16239E-01 -0.93839E-02 5067 0.692E-01 0.109E+00 RMM: 3 -0.325715826121E+03 0.84891E-02 -0.10278E-02 5577 0.208E-01 0.183E-01 RMM: 4 -0.325715543227E+03 0.28289E-03 -0.81437E-04 4743 0.596E-02 0.890E-02 RMM: 5 -0.325715509272E+03 0.33955E-04 -0.10941E-04 3776 0.265E-02 0.698E-02 RMM: 6 -0.325715478593E+03 0.30679E-04 -0.24052E-05 2637 0.148E-02 0.369E-02 RMM: 7 -0.325715480739E+03 -0.21465E-05 -0.14345E-05 2495 0.117E-02 8606 T= 5375. E= 0.67576361E+03 F= 0.63055351E+03 E0= 0.65892851E+03 EK= 0.43769E+02 SP= 0.81E+00 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325990721450E+03 -0.27524E+00 -0.10121E-01 7856 0.220E+01 0.199E-01 RMM: 2 -0.326004727921E+03 -0.14006E-01 -0.99446E-02 5024 0.715E-01 0.889E-01 RMM: 3 -0.325998916584E+03 0.58113E-02 -0.11059E-02 5743 0.208E-01 0.135E-01 RMM: 4 -0.325998723370E+03 0.19321E-03 -0.72724E-04 4816 0.553E-02 0.102E-01 RMM: 5 -0.325998660745E+03 0.62626E-04 -0.90187E-05 3768 0.235E-02 0.701E-02 RMM: 6 -0.325998633520E+03 0.27225E-04 -0.23907E-05 2569 0.149E-02 0.366E-02 RMM: 7 -0.325998634596E+03 -0.10761E-05 -0.20247E-05 2531 0.134E-02 8607 T= 5355. E= 0.67576620E+03 F= 0.63027035E+03 E0= 0.65868632E+03 EK= 0.43610E+02 SP= 0.13E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326565336069E+03 -0.56670E+00 -0.99845E-02 7912 0.219E+01 0.159E-01 RMM: 2 -0.326576749813E+03 -0.11414E-01 -0.88103E-02 5070 0.668E-01 0.726E-01 RMM: 3 -0.326572841340E+03 0.39085E-02 -0.90361E-03 5897 0.179E-01 0.162E-01 RMM: 4 -0.326572562790E+03 0.27855E-03 -0.51648E-04 4435 0.516E-02 0.847E-02 RMM: 5 -0.326572526107E+03 0.36684E-04 -0.79047E-05 3523 0.244E-02 0.648E-02 RMM: 6 -0.326572502973E+03 0.23134E-04 -0.22831E-05 2575 0.148E-02 0.383E-02 RMM: 7 -0.326572507405E+03 -0.44322E-05 -0.22729E-05 2546 0.142E-02 8608 T= 5376. E= 0.67576775E+03 F= 0.62969648E+03 E0= 0.65815953E+03 EK= 0.43776E+02 SP= 0.18E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327454184453E+03 -0.88168E+00 -0.98187E-02 7896 0.218E+01 0.180E-01 RMM: 2 -0.327466992445E+03 -0.12808E-01 -0.89786E-02 5002 0.686E-01 0.855E-01 RMM: 3 -0.327461822408E+03 0.51700E-02 -0.99197E-03 5799 0.191E-01 0.162E-01 RMM: 4 -0.327461543146E+03 0.27926E-03 -0.60434E-04 4685 0.538E-02 0.817E-02 RMM: 5 -0.327461512028E+03 0.31118E-04 -0.84642E-05 3601 0.237E-02 0.675E-02 RMM: 6 -0.327461486437E+03 0.25591E-04 -0.23378E-05 2574 0.149E-02 0.321E-02 RMM: 7 -0.327461488049E+03 -0.16122E-05 -0.12843E-05 2487 0.110E-02 8609 T= 5438. E= 0.67576699E+03 F= 0.62880750E+03 E0= 0.65732174E+03 EK= 0.44287E+02 SP= 0.23E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328649818548E+03 -0.11883E+01 -0.97470E-02 7872 0.219E+01 0.136E-01 RMM: 2 -0.328660234295E+03 -0.10416E-01 -0.86330E-02 4996 0.661E-01 0.624E-01 RMM: 3 -0.328657246234E+03 0.29881E-02 -0.88578E-03 5942 0.173E-01 0.120E-01 RMM: 4 -0.328657044827E+03 0.20141E-03 -0.41475E-04 4486 0.458E-02 0.835E-02 RMM: 5 -0.328657000924E+03 0.43903E-04 -0.59436E-05 3319 0.229E-02 0.525E-02 RMM: 6 -0.328656988115E+03 0.12809E-04 -0.20183E-05 2533 0.135E-02 8610 T= 5542. E= 0.67576357E+03 F= 0.62761200E+03 E0= 0.65617948E+03 EK= 0.45132E+02 SP= 0.27E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330105068280E+03 -0.14481E+01 -0.96544E-02 7840 0.221E+01 0.164E-01 RMM: 2 -0.330117718527E+03 -0.12650E-01 -0.82781E-02 5084 0.645E-01 0.882E-01 RMM: 3 -0.330112070579E+03 0.56479E-02 -0.83472E-03 5554 0.183E-01 0.163E-01 RMM: 4 -0.330111831692E+03 0.23889E-03 -0.57893E-04 4652 0.501E-02 0.668E-02 RMM: 5 -0.330111803885E+03 0.27808E-04 -0.66528E-05 3454 0.223E-02 0.585E-02 RMM: 6 -0.330111790905E+03 0.12980E-04 -0.20216E-05 2524 0.135E-02 8611 T= 5680. E= 0.67575713E+03 F= 0.62615720E+03 E0= 0.65477742E+03 EK= 0.46256E+02 SP= 0.31E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331733514371E+03 -0.16217E+01 -0.10313E-01 7672 0.224E+01 0.283E-01 RMM: 2 -0.331757831806E+03 -0.24317E-01 -0.94141E-02 5067 0.729E-01 0.158E+00 RMM: 3 -0.331740947600E+03 0.16884E-01 -0.12801E-02 5417 0.260E-01 0.288E-01 RMM: 4 -0.331740318420E+03 0.62918E-03 -0.13425E-03 4719 0.760E-02 0.745E-02 RMM: 5 -0.331740302955E+03 0.15465E-04 -0.15890E-04 3964 0.298E-02 8612 T= 5842. E= 0.67574997E+03 F= 0.62452869E+03 E0= 0.65319788E+03 EK= 0.47572E+02 SP= 0.34E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333425525663E+03 -0.16852E+01 -0.11090E-01 7888 0.227E+01 0.202E-01 RMM: 2 -0.333442546851E+03 -0.17021E-01 -0.94843E-02 5072 0.695E-01 0.113E+00 RMM: 3 -0.333433677311E+03 0.88695E-02 -0.10515E-02 5519 0.215E-01 0.229E-01 RMM: 4 -0.333433275710E+03 0.40160E-03 -0.90599E-04 4708 0.633E-02 0.864E-02 RMM: 5 -0.333433237622E+03 0.38088E-04 -0.11524E-04 3905 0.272E-02 0.718E-02 RMM: 6 -0.333433213391E+03 0.24231E-04 -0.23742E-05 2555 0.144E-02 0.546E-02 RMM: 7 -0.333433224563E+03 -0.11172E-04 -0.33819E-05 2756 0.169E-02 8613 T= 6013. E= 0.67574220E+03 F= 0.62283576E+03 E0= 0.65154781E+03 EK= 0.48967E+02 SP= 0.37E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335064586758E+03 -0.16314E+01 -0.11565E-01 7896 0.231E+01 0.234E-01 RMM: 2 -0.335078726139E+03 -0.14139E-01 -0.10854E-01 4900 0.766E-01 0.883E-01 RMM: 3 -0.335073401174E+03 0.53250E-02 -0.12624E-02 5764 0.222E-01 0.158E-01 RMM: 4 -0.335073293654E+03 0.10752E-03 -0.90922E-04 4736 0.659E-02 0.184E-01 RMM: 5 -0.335073115638E+03 0.17802E-03 -0.17747E-04 3871 0.350E-02 0.966E-02 RMM: 6 -0.335073055140E+03 0.60498E-04 -0.52402E-05 3253 0.216E-02 0.259E-02 RMM: 7 -0.335073062769E+03 -0.76295E-05 -0.16405E-05 2520 0.127E-02 8614 T= 6179. E= 0.67573429E+03 F= 0.62119593E+03 E0= 0.64994063E+03 EK= 0.50317E+02 SP= 0.40E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336543047775E+03 -0.14700E+01 -0.12190E-01 8048 0.233E+01 0.170E-01 RMM: 2 -0.336556438580E+03 -0.13391E-01 -0.10875E-01 5070 0.751E-01 0.750E-01 RMM: 3 -0.336552540078E+03 0.38985E-02 -0.12006E-02 6012 0.199E-01 0.147E-01 RMM: 4 -0.336552257181E+03 0.28290E-03 -0.56082E-04 4595 0.554E-02 0.119E-01 RMM: 5 -0.336552148673E+03 0.10851E-03 -0.10358E-04 3687 0.276E-02 0.643E-02 RMM: 6 -0.336552131971E+03 0.16703E-04 -0.24992E-05 2566 0.147E-02 8615 T= 6326. E= 0.67572756E+03 F= 0.61971686E+03 E0= 0.64847992E+03 EK= 0.51513E+02 SP= 0.43E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337772290554E+03 -0.12201E+01 -0.13231E-01 8264 0.235E+01 0.194E-01 RMM: 2 -0.337790617399E+03 -0.18327E-01 -0.12118E-01 4981 0.783E-01 0.104E+00 RMM: 3 -0.337782758206E+03 0.78592E-02 -0.13551E-02 5696 0.229E-01 0.192E-01 RMM: 4 -0.337782398322E+03 0.35988E-03 -0.83088E-04 5018 0.593E-02 0.833E-02 RMM: 5 -0.337782353633E+03 0.44689E-04 -0.99330E-05 3731 0.263E-02 0.736E-02 RMM: 6 -0.337782333985E+03 0.19647E-04 -0.27466E-05 2595 0.155E-02 8616 T= 6442. E= 0.67572275E+03 F= 0.61848666E+03 E0= 0.64725516E+03 EK= 0.52462E+02 SP= 0.46E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338692806840E+03 -0.91045E+00 -0.13668E-01 8320 0.237E+01 0.384E-01 RMM: 2 -0.338738437503E+03 -0.45631E-01 -0.13321E-01 5029 0.861E-01 0.226E+00 RMM: 3 -0.338703118910E+03 0.35319E-01 -0.21244E-02 5381 0.344E-01 0.371E-01 RMM: 4 -0.338702130405E+03 0.98851E-03 -0.24319E-03 5086 0.101E-01 0.109E-01 RMM: 5 -0.338702117433E+03 0.12972E-04 -0.28811E-04 3954 0.371E-02 0.125E-01 RMM: 6 -0.338702018866E+03 0.98567E-04 -0.57042E-05 3311 0.222E-02 0.524E-02 RMM: 7 -0.338702015687E+03 0.31793E-05 -0.22198E-05 2551 0.140E-02 8617 T= 6521. E= 0.67571901E+03 F= 0.61756697E+03 E0= 0.64632647E+03 EK= 0.53099E+02 SP= 0.49E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339264951058E+03 -0.56293E+00 -0.14565E-01 8408 0.237E+01 0.335E-01 RMM: 2 -0.339303411453E+03 -0.38460E-01 -0.14627E-01 4931 0.869E-01 0.194E+00 RMM: 3 -0.339276953128E+03 0.26458E-01 -0.19737E-02 5389 0.319E-01 0.366E-01 RMM: 4 -0.339276010051E+03 0.94308E-03 -0.23188E-03 5154 0.100E-01 0.108E-01 RMM: 5 -0.339276060904E+03 -0.50853E-04 -0.30079E-04 3915 0.394E-02 0.145E-01 RMM: 6 -0.339275918646E+03 0.14226E-03 -0.79646E-05 3554 0.250E-02 0.403E-02 RMM: 7 -0.339275918652E+03 -0.65265E-08 -0.20613E-05 2560 0.132E-02 8618 T= 6556. E= 0.67571806E+03 F= 0.61699307E+03 E0= 0.64573134E+03 EK= 0.53391E+02 SP= 0.52E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339486854447E+03 -0.21094E+00 -0.15105E-01 8608 0.237E+01 0.229E-01 RMM: 2 -0.339511218248E+03 -0.24364E-01 -0.14965E-01 4968 0.858E-01 0.124E+00 RMM: 3 -0.339499643803E+03 0.11574E-01 -0.16386E-02 5546 0.263E-01 0.214E-01 RMM: 4 -0.339499253054E+03 0.39075E-03 -0.12506E-03 4956 0.726E-02 0.959E-02 RMM: 5 -0.339499213516E+03 0.39538E-04 -0.15972E-04 3959 0.310E-02 0.862E-02 RMM: 6 -0.339499166406E+03 0.47110E-04 -0.32923E-05 2810 0.169E-02 0.409E-02 RMM: 7 -0.339499168762E+03 -0.23559E-05 -0.18712E-05 2524 0.134E-02 8619 T= 6549. E= 0.67571869E+03 F= 0.61676982E+03 E0= 0.64547709E+03 EK= 0.53330E+02 SP= 0.55E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339377794072E+03 0.12137E+00 -0.14796E-01 8648 0.236E+01 0.172E-01 RMM: 2 -0.339395210487E+03 -0.17416E-01 -0.14308E-01 5056 0.821E-01 0.784E-01 RMM: 3 -0.339389949861E+03 0.52606E-02 -0.13232E-02 6029 0.222E-01 0.163E-01 RMM: 4 -0.339389624736E+03 0.32512E-03 -0.69613E-04 4719 0.598E-02 0.927E-02 RMM: 5 -0.339389579344E+03 0.45392E-04 -0.98181E-05 3630 0.275E-02 0.672E-02 RMM: 6 -0.339389554433E+03 0.24911E-04 -0.25748E-05 2578 0.154E-02 0.384E-02 RMM: 7 -0.339389557209E+03 -0.27763E-05 -0.19543E-05 2521 0.136E-02 8620 T= 6501. E= 0.67572065E+03 F= 0.61687943E+03 E0= 0.64555098E+03 EK= 0.52938E+02 SP= 0.57E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338976295129E+03 0.41326E+00 -0.15254E-01 8672 0.235E+01 0.150E-01 RMM: 2 -0.338991958471E+03 -0.15663E-01 -0.14576E-01 5078 0.832E-01 0.559E-01 RMM: 3 -0.338988714598E+03 0.32439E-02 -0.13127E-02 6209 0.219E-01 0.117E-01 RMM: 4 -0.338988512413E+03 0.20219E-03 -0.59149E-04 4689 0.571E-02 0.128E-01 RMM: 5 -0.338988406399E+03 0.10601E-03 -0.97289E-05 3630 0.298E-02 0.541E-02 RMM: 6 -0.338988391304E+03 0.15094E-04 -0.24470E-05 2558 0.145E-02 8621 T= 6417. E= 0.67572399E+03 F= 0.61728060E+03 E0= 0.64591401E+03 EK= 0.52258E+02 SP= 0.60E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338347318840E+03 0.64109E+00 -0.14650E-01 8704 0.233E+01 0.214E-01 RMM: 2 -0.338369273699E+03 -0.21955E-01 -0.14420E-01 5025 0.844E-01 0.113E+00 RMM: 3 -0.338359356849E+03 0.99169E-02 -0.13688E-02 5729 0.246E-01 0.199E-01 RMM: 4 -0.338358996661E+03 0.36019E-03 -0.93438E-04 4833 0.661E-02 0.857E-02 RMM: 5 -0.338358962192E+03 0.34469E-04 -0.12080E-04 3948 0.289E-02 0.754E-02 RMM: 6 -0.338358933607E+03 0.28585E-04 -0.27751E-05 2586 0.157E-02 0.502E-02 RMM: 7 -0.338358949161E+03 -0.15554E-04 -0.39485E-05 2972 0.181E-02 8622 T= 6307. E= 0.67572863E+03 F= 0.61791004E+03 E0= 0.64650749E+03 EK= 0.51358E+02 SP= 0.63E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337572671529E+03 0.78626E+00 -0.14062E-01 8680 0.231E+01 0.187E-01 RMM: 2 -0.337588647181E+03 -0.15976E-01 -0.12979E-01 5103 0.791E-01 0.785E-01 RMM: 3 -0.337583292352E+03 0.53548E-02 -0.11484E-02 5798 0.226E-01 0.166E-01 RMM: 4 -0.337583131104E+03 0.16125E-03 -0.82477E-04 4717 0.652E-02 0.130E-01 RMM: 5 -0.337583030527E+03 0.10058E-03 -0.12840E-04 3761 0.300E-02 0.748E-02 RMM: 6 -0.337582997364E+03 0.33164E-04 -0.27150E-05 2647 0.160E-02 0.323E-02 RMM: 7 -0.337583000972E+03 -0.36082E-05 -0.17737E-05 2505 0.136E-02 8623 T= 6180. E= 0.67573461E+03 F= 0.61868599E+03 E0= 0.64725114E+03 EK= 0.50326E+02 SP= 0.66E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336743940782E+03 0.83906E+00 -0.15101E-01 8584 0.228E+01 0.205E-01 RMM: 2 -0.336765637545E+03 -0.21697E-01 -0.16254E-01 4891 0.929E-01 0.998E-01 RMM: 3 -0.336758028181E+03 0.76094E-02 -0.17007E-02 5869 0.259E-01 0.188E-01 RMM: 4 -0.336757609397E+03 0.41878E-03 -0.93020E-04 4908 0.680E-02 0.976E-02 RMM: 5 -0.336757554467E+03 0.54930E-04 -0.12912E-04 3882 0.307E-02 0.812E-02 RMM: 6 -0.336757518678E+03 0.35790E-04 -0.33221E-05 2761 0.174E-02 0.503E-02 RMM: 7 -0.336757522167E+03 -0.34894E-05 -0.32045E-05 2646 0.164E-02 8624 T= 6049. E= 0.67574145E+03 F= 0.61951147E+03 E0= 0.64805211E+03 EK= 0.49261E+02 SP= 0.68E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335982532561E+03 0.77499E+00 -0.13240E-01 8600 0.226E+01 0.186E-01 RMM: 2 -0.335998444395E+03 -0.15912E-01 -0.13079E-01 5049 0.820E-01 0.786E-01 RMM: 3 -0.335993675677E+03 0.47687E-02 -0.12893E-02 5989 0.225E-01 0.159E-01 RMM: 4 -0.335993400042E+03 0.27564E-03 -0.66483E-04 4837 0.573E-02 0.109E-01 RMM: 5 -0.335993323754E+03 0.76288E-04 -0.96787E-05 3630 0.281E-02 0.638E-02 RMM: 6 -0.335993306163E+03 0.17590E-04 -0.25509E-05 2574 0.152E-02 8625 T= 5929. E= 0.67574902E+03 F= 0.62027568E+03 E0= 0.64879831E+03 EK= 0.48280E+02 SP= 0.71E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335399174454E+03 0.59415E+00 -0.12672E-01 8608 0.224E+01 0.210E-01 RMM: 2 -0.335418536315E+03 -0.19362E-01 -0.12908E-01 5107 0.811E-01 0.107E+00 RMM: 3 -0.335410038619E+03 0.84977E-02 -0.12837E-02 5588 0.239E-01 0.208E-01 RMM: 4 -0.335409703566E+03 0.33505E-03 -0.94829E-04 4972 0.632E-02 0.102E-01 RMM: 5 -0.335409635777E+03 0.67789E-04 -0.10719E-04 3768 0.283E-02 0.787E-02 RMM: 6 -0.335409614810E+03 0.20967E-04 -0.29983E-05 2679 0.161E-02 0.724E-02 RMM: 7 -0.335409618556E+03 -0.37456E-05 -0.75589E-05 3657 0.232E-02 8626 T= 5833. E= 0.67575689E+03 F= 0.62085937E+03 E0= 0.64937232E+03 EK= 0.47503E+02 SP= 0.73E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335113748061E+03 0.29587E+00 -0.11487E-01 8600 0.223E+01 0.274E-01 RMM: 2 -0.335135042279E+03 -0.21294E-01 -0.11524E-01 5000 0.801E-01 0.131E+00 RMM: 3 -0.335122995437E+03 0.12047E-01 -0.13509E-02 5489 0.259E-01 0.274E-01 RMM: 4 -0.335122483030E+03 0.51241E-03 -0.13699E-03 4764 0.797E-02 0.119E-01 RMM: 5 -0.335122487125E+03 -0.40954E-05 -0.20631E-04 3890 0.365E-02 0.126E-01 RMM: 6 -0.335122379810E+03 0.10731E-03 -0.56585E-05 3298 0.223E-02 0.346E-02 RMM: 7 -0.335122382438E+03 -0.26275E-05 -0.17393E-05 2523 0.129E-02 8627 T= 5777. E= 0.67576304E+03 F= 0.62114661E+03 E0= 0.64965840E+03 EK= 0.47046E+02 SP= 0.75E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335210724505E+03 -0.88345E-01 -0.10652E-01 8144 0.222E+01 0.227E-01 RMM: 2 -0.335230773453E+03 -0.20049E-01 -0.11370E-01 4952 0.800E-01 0.122E+00 RMM: 3 -0.335220391803E+03 0.10382E-01 -0.13545E-02 5561 0.247E-01 0.218E-01 RMM: 4 -0.335220005471E+03 0.38633E-03 -0.10280E-03 4910 0.659E-02 0.953E-02 RMM: 5 -0.335219951955E+03 0.53516E-04 -0.12455E-04 3842 0.303E-02 0.775E-02 RMM: 6 -0.335219921707E+03 0.30248E-04 -0.31363E-05 2787 0.164E-02 0.579E-02 RMM: 7 -0.335219920670E+03 0.10378E-05 -0.34879E-05 2648 0.174E-02 8628 T= 5771. E= 0.67576516E+03 F= 0.62104907E+03 E0= 0.64956692E+03 EK= 0.46996E+02 SP= 0.77E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335725614643E+03 -0.50569E+00 -0.94561E-02 7968 0.223E+01 0.170E-01 RMM: 2 -0.335737167534E+03 -0.11553E-01 -0.87032E-02 4889 0.696E-01 0.762E-01 RMM: 3 -0.335732883060E+03 0.42845E-02 -0.97564E-03 5658 0.202E-01 0.135E-01 RMM: 4 -0.335732726911E+03 0.15615E-03 -0.62762E-04 4961 0.516E-02 0.872E-02 RMM: 5 -0.335732687326E+03 0.39584E-04 -0.75506E-05 3514 0.247E-02 0.653E-02 RMM: 6 -0.335732663297E+03 0.24029E-04 -0.23311E-05 2564 0.147E-02 0.347E-02 RMM: 7 -0.335732666180E+03 -0.28823E-05 -0.16448E-05 2498 0.128E-02 8629 T= 5818. E= 0.67576170E+03 F= 0.62053632E+03 E0= 0.64906561E+03 EK= 0.47380E+02 SP= 0.78E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336602054858E+03 -0.86939E+00 -0.97361E-02 7928 0.225E+01 0.163E-01 RMM: 2 -0.336616003835E+03 -0.13949E-01 -0.10938E-01 4751 0.781E-01 0.778E-01 RMM: 3 -0.336611627637E+03 0.43762E-02 -0.12722E-02 5926 0.208E-01 0.150E-01 RMM: 4 -0.336611324717E+03 0.30292E-03 -0.64012E-04 4696 0.595E-02 0.944E-02 RMM: 5 -0.336611274443E+03 0.50274E-04 -0.98821E-05 3644 0.272E-02 0.656E-02 RMM: 6 -0.336611248532E+03 0.25910E-04 -0.26158E-05 2622 0.155E-02 0.324E-02 RMM: 7 -0.336611248083E+03 0.44927E-06 -0.14561E-05 2486 0.120E-02 8630 T= 5912. E= 0.67575345E+03 F= 0.61965774E+03 E0= 0.64820362E+03 EK= 0.48147E+02 SP= 0.79E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337723767624E+03 -0.11125E+01 -0.99668E-02 7896 0.228E+01 0.148E-01 RMM: 2 -0.337735924403E+03 -0.12157E-01 -0.10559E-01 4933 0.743E-01 0.623E-01 RMM: 3 -0.337732936794E+03 0.29876E-02 -0.11477E-02 6045 0.195E-01 0.131E-01 RMM: 4 -0.337732692159E+03 0.24463E-03 -0.52902E-04 4563 0.539E-02 0.106E-01 RMM: 5 -0.337732615013E+03 0.77147E-04 -0.81984E-05 3520 0.264E-02 0.585E-02 RMM: 6 -0.337732601063E+03 0.13950E-04 -0.21337E-05 2533 0.136E-02 8631 T= 6038. E= 0.67574260E+03 F= 0.61853639E+03 E0= 0.64710193E+03 EK= 0.49172E+02 SP= 0.80E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338924771379E+03 -0.11922E+01 -0.10780E-01 8296 0.232E+01 0.160E-01 RMM: 2 -0.338938645342E+03 -0.13874E-01 -0.11066E-01 5148 0.732E-01 0.760E-01 RMM: 3 -0.338934263039E+03 0.43823E-02 -0.10959E-02 5928 0.198E-01 0.163E-01 RMM: 4 -0.338933972599E+03 0.29044E-03 -0.58101E-04 4578 0.534E-02 0.993E-02 RMM: 5 -0.338933909305E+03 0.63294E-04 -0.74752E-05 3530 0.238E-02 0.715E-02 RMM: 6 -0.338933899271E+03 0.10034E-04 -0.19713E-05 2523 0.131E-02 8632 T= 6176. E= 0.67573204E+03 F= 0.61733509E+03 E0= 0.64592234E+03 EK= 0.50293E+02 SP= 0.81E+01 SK= 0.94E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340046609092E+03 -0.11127E+01 -0.11609E-01 8632 0.235E+01 0.272E-01 RMM: 2 -0.340074051513E+03 -0.27442E-01 -0.12245E-01 5230 0.776E-01 0.157E+00 RMM: 3 -0.340056434285E+03 0.17617E-01 -0.13573E-02 5434 0.258E-01 0.257E-01 RMM: 4 -0.340055967246E+03 0.46704E-03 -0.14251E-03 4780 0.769E-02 0.109E-01 RMM: 5 -0.340055898804E+03 0.68442E-04 -0.15884E-04 3955 0.309E-02 0.913E-02 RMM: 6 -0.340055865306E+03 0.33499E-04 -0.28046E-05 2590 0.162E-02 0.679E-02 RMM: 7 -0.340055865115E+03 0.19003E-06 -0.31477E-05 2721 0.167E-02 8633 T= 6305. E= 0.67572351E+03 F= 0.61621312E+03 E0= 0.64482349E+03 EK= 0.51347E+02 SP= 0.82E+01 SK= 0.69E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340961933308E+03 -0.90607E+00 -0.12005E-01 8704 0.238E+01 0.251E-01 RMM: 2 -0.340984401166E+03 -0.22468E-01 -0.13085E-01 5239 0.771E-01 0.127E+00 RMM: 3 -0.340972475850E+03 0.11925E-01 -0.12486E-02 5498 0.238E-01 0.261E-01 RMM: 4 -0.340972072597E+03 0.40325E-03 -0.14700E-03 4700 0.833E-02 0.151E-01 RMM: 5 -0.340971935758E+03 0.13684E-03 -0.22044E-04 3892 0.384E-02 0.915E-02 RMM: 6 -0.340971885736E+03 0.50023E-04 -0.41523E-05 3026 0.194E-02 0.473E-02 RMM: 7 -0.340971884626E+03 0.11096E-05 -0.24043E-05 2574 0.150E-02 8634 T= 6410. E= 0.67571755E+03 F= 0.61529710E+03 E0= 0.64392918E+03 EK= 0.52203E+02 SP= 0.82E+01 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.341585864023E+03 -0.61398E+00 -0.13020E-01 8704 0.239E+01 0.216E-01 RMM: 2 -0.341608141324E+03 -0.22277E-01 -0.14129E-01 5253 0.783E-01 0.118E+00 RMM: 3 -0.341597425511E+03 0.10716E-01 -0.13405E-02 5648 0.231E-01 0.189E-01 RMM: 4 -0.341597128151E+03 0.29736E-03 -0.99929E-04 4857 0.645E-02 0.114E-01 RMM: 5 -0.341597035348E+03 0.92803E-04 -0.12802E-04 3837 0.285E-02 0.797E-02 RMM: 6 -0.341597009477E+03 0.25871E-04 -0.26398E-05 2606 0.155E-02 0.611E-02 RMM: 7 -0.341597000267E+03 0.92097E-05 -0.26436E-05 2632 0.148E-02 8635 T= 6481. E= 0.67571445E+03 F= 0.61467199E+03 E0= 0.64332134E+03 EK= 0.52774E+02 SP= 0.83E+01 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.341874854718E+03 -0.27785E+00 -0.13029E-01 8696 0.240E+01 0.144E-01 RMM: 2 -0.341889742141E+03 -0.14887E-01 -0.12941E-01 5365 0.720E-01 0.652E-01 RMM: 3 -0.341885503289E+03 0.42389E-02 -0.10325E-02 6002 0.190E-01 0.149E-01 RMM: 4 -0.341885273856E+03 0.22943E-03 -0.62148E-04 4471 0.534E-02 0.969E-02 RMM: 5 -0.341885207217E+03 0.66639E-04 -0.79860E-05 3452 0.245E-02 0.594E-02 RMM: 6 -0.341885197757E+03 0.94595E-05 -0.19544E-05 2543 0.129E-02 8636 T= 6510. E= 0.67571308E+03 F= 0.61438379E+03 E0= 0.64304644E+03 EK= 0.53011E+02 SP= 0.83E+01 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.341807039990E+03 0.78167E-01 -0.13302E-01 8832 0.239E+01 0.184E-01 RMM: 2 -0.341826075459E+03 -0.19035E-01 -0.13511E-01 5184 0.744E-01 0.973E-01 RMM: 3 -0.341818116057E+03 0.79594E-02 -0.11691E-02 5701 0.217E-01 0.171E-01 RMM: 4 -0.341817864022E+03 0.25204E-03 -0.81190E-04 4827 0.584E-02 0.925E-02 RMM: 5 -0.341817802368E+03 0.61654E-04 -0.92210E-05 3757 0.245E-02 0.653E-02 RMM: 6 -0.341817788231E+03 0.14137E-04 -0.20341E-05 2540 0.133E-02 8637 T= 6495. E= 0.67571308E+03 F= 0.61445120E+03 E0= 0.64312070E+03 EK= 0.52892E+02 SP= 0.84E+01 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.341387205611E+03 0.43060E+00 -0.13721E-01 8824 0.238E+01 0.277E-01 RMM: 2 -0.341416266713E+03 -0.29061E-01 -0.13456E-01 5144 0.763E-01 0.159E+00 RMM: 3 -0.341397857812E+03 0.18409E-01 -0.14016E-02 5421 0.262E-01 0.284E-01 RMM: 4 -0.341397236756E+03 0.62106E-03 -0.14679E-03 4760 0.789E-02 0.829E-02 RMM: 5 -0.341397209396E+03 0.27359E-04 -0.16524E-04 4269 0.292E-02 0.770E-02 RMM: 6 -0.341397178855E+03 0.30541E-04 -0.24471E-05 2569 0.144E-02 0.542E-02 RMM: 7 -0.341397204910E+03 -0.26055E-04 -0.44718E-05 3084 0.192E-02 0.897E-02 RMM: 8 -0.341397152668E+03 0.52242E-04 -0.70608E-05 3561 0.188E-02 0.329E-02 RMM: 9 -0.341397150091E+03 0.25773E-05 -0.15027E-05 2510 0.108E-02 8638 T= 6437. E= 0.67571460E+03 F= 0.61487184E+03 E0= 0.64354250E+03 EK= 0.52422E+02 SP= 0.84E+01 SK= 0.49E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340630615525E+03 0.76654E+00 -0.14325E-01 8848 0.236E+01 0.231E-01 RMM: 2 -0.340651014268E+03 -0.20399E-01 -0.14488E-01 5210 0.769E-01 0.102E+00 RMM: 3 -0.340642322071E+03 0.86922E-02 -0.12140E-02 5518 0.231E-01 0.218E-01 RMM: 4 -0.340642100342E+03 0.22173E-03 -0.12613E-03 4747 0.800E-02 0.174E-01 RMM: 5 -0.340642000667E+03 0.99675E-04 -0.21837E-04 3894 0.384E-02 0.131E-01 RMM: 6 -0.340641885466E+03 0.11520E-03 -0.62167E-05 3367 0.239E-02 0.283E-02 RMM: 7 -0.340641902455E+03 -0.16989E-04 -0.25601E-05 2596 0.154E-02 8639 T= 6339. E= 0.67571731E+03 F= 0.61562709E+03 E0= 0.64429282E+03 EK= 0.51622E+02 SP= 0.85E+01 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.339570830938E+03 0.10711E+01 -0.14575E-01 8664 0.234E+01 0.171E-01 RMM: 2 -0.339590662894E+03 -0.19832E-01 -0.14860E-01 5301 0.798E-01 0.923E-01 RMM: 3 -0.339583300985E+03 0.73619E-02 -0.12193E-02 5689 0.218E-01 0.162E-01 RMM: 4 -0.339582996635E+03 0.30435E-03 -0.75588E-04 4918 0.578E-02 0.731E-02 RMM: 5 -0.339582964045E+03 0.32590E-04 -0.80211E-05 3670 0.243E-02 0.643E-02 RMM: 6 -0.339582942446E+03 0.21599E-04 -0.23219E-05 2553 0.146E-02 0.422E-02 RMM: 7 -0.339582947426E+03 -0.49803E-05 -0.36731E-05 2801 0.172E-02 8640 T= 6204. E= 0.67572048E+03 F= 0.61668604E+03 E0= 0.64534260E+03 EK= 0.50526E+02 SP= 0.85E+01 SK= 0.27E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.338253132849E+03 0.13298E+01 -0.13981E-01 8720 0.232E+01 0.139E-01 RMM: 2 -0.338268525313E+03 -0.15392E-01 -0.13919E-01 5212 0.780E-01 0.583E-01 RMM: 3 -0.338264955086E+03 0.35702E-02 -0.11564E-02 6179 0.200E-01 0.120E-01 RMM: 4 -0.338264707962E+03 0.24712E-03 -0.52711E-04 4694 0.530E-02 0.946E-02 RMM: 5 -0.338264648881E+03 0.59081E-04 -0.72823E-05 3375 0.252E-02 0.540E-02 RMM: 6 -0.338264635784E+03 0.13097E-04 -0.20844E-05 2539 0.138E-02 8641 T= 6040. E= 0.67572496E+03 F= 0.61800435E+03 E0= 0.64665014E+03 EK= 0.49183E+02 SP= 0.85E+01 SK= 0.98E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.336734253923E+03 0.15304E+01 -0.13724E-01 8472 0.228E+01 0.173E-01 RMM: 2 -0.336753365523E+03 -0.19112E-01 -0.15211E-01 5036 0.837E-01 0.844E-01 RMM: 3 -0.336747251670E+03 0.61139E-02 -0.14004E-02 5910 0.226E-01 0.152E-01 RMM: 4 -0.336746918005E+03 0.33367E-03 -0.72361E-04 4993 0.575E-02 0.800E-02 RMM: 5 -0.336746877669E+03 0.40336E-04 -0.82393E-05 3650 0.251E-02 0.628E-02 RMM: 6 -0.336746861190E+03 0.16479E-04 -0.22675E-05 2544 0.143E-02 8642 T= 5852. E= 0.67573093E+03 F= 0.61952213E+03 E0= 0.64815638E+03 EK= 0.47659E+02 SP= 0.86E+01 SK= 0.17E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.335097239055E+03 0.16496E+01 -0.12331E-01 8656 0.225E+01 0.285E-01 RMM: 2 -0.335124018854E+03 -0.26780E-01 -0.12612E-01 5006 0.782E-01 0.153E+00 RMM: 3 -0.335107296067E+03 0.16723E-01 -0.14167E-02 5455 0.267E-01 0.288E-01 RMM: 4 -0.335106642422E+03 0.65365E-03 -0.14367E-03 4792 0.781E-02 0.829E-02 RMM: 5 -0.335106629527E+03 0.12895E-04 -0.16527E-04 3991 0.310E-02 8643 T= 5653. E= 0.67573875E+03 F= 0.62116236E+03 E0= 0.64978590E+03 EK= 0.46036E+02 SP= 0.85E+01 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333427017113E+03 0.16796E+01 -0.12295E-01 8408 0.221E+01 0.202E-01 RMM: 2 -0.333448063438E+03 -0.21046E-01 -0.13194E-01 5207 0.776E-01 0.113E+00 RMM: 3 -0.333438157375E+03 0.99061E-02 -0.12575E-02 5522 0.232E-01 0.217E-01 RMM: 4 -0.333437761049E+03 0.39633E-03 -0.10045E-03 4927 0.644E-02 0.950E-02 RMM: 5 -0.333437715466E+03 0.45584E-04 -0.11093E-04 3874 0.266E-02 0.788E-02 RMM: 6 -0.333437687642E+03 0.27824E-04 -0.26096E-05 2568 0.154E-02 0.578E-02 RMM: 7 -0.333437713416E+03 -0.25774E-04 -0.51605E-05 3206 0.187E-02 0.950E-02 RMM: 8 -0.333437659993E+03 0.53423E-04 -0.12188E-04 3881 0.265E-02 0.300E-02 RMM: 9 -0.333437658349E+03 0.16433E-05 -0.15141E-05 2517 0.108E-02 8644 T= 5454. E= 0.67574735E+03 F= 0.62283133E+03 E0= 0.65144532E+03 EK= 0.44413E+02 SP= 0.85E+01 SK= 0.82E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331838405954E+03 0.15993E+01 -0.10827E-01 8280 0.217E+01 0.250E-01 RMM: 2 -0.331853857309E+03 -0.15451E-01 -0.11223E-01 4978 0.747E-01 0.952E-01 RMM: 3 -0.331847308098E+03 0.65492E-02 -0.11657E-02 5902 0.208E-01 0.177E-01 RMM: 4 -0.331847322325E+03 -0.14227E-04 -0.10089E-03 4700 0.748E-02 0.244E-01 RMM: 5 -0.331846944649E+03 0.37768E-03 -0.23603E-04 3881 0.398E-02 0.867E-02 RMM: 6 -0.331846903527E+03 0.41122E-04 -0.53667E-05 3273 0.219E-02 0.395E-02 RMM: 7 -0.331846924266E+03 -0.20738E-04 -0.26687E-05 2613 0.154E-02 0.653E-02 RMM: 8 -0.331846901654E+03 0.22612E-04 -0.20130E-05 2555 0.146E-02 0.237E-02 RMM: 9 -0.331846900036E+03 0.16174E-05 -0.71042E-06 2446 0.806E-03 8645 T= 5268. E= 0.67575576E+03 F= 0.62442209E+03 E0= 0.65302757E+03 EK= 0.42899E+02 SP= 0.84E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330440021478E+03 0.14069E+01 -0.98573E-02 8640 0.213E+01 0.156E-01 RMM: 2 -0.330451911069E+03 -0.11890E-01 -0.97066E-02 5212 0.684E-01 0.690E-01 RMM: 3 -0.330448181589E+03 0.37295E-02 -0.90760E-03 6088 0.177E-01 0.141E-01 RMM: 4 -0.330447920464E+03 0.26112E-03 -0.46572E-04 4407 0.483E-02 0.838E-02 RMM: 5 -0.330447864943E+03 0.55521E-04 -0.63223E-05 3431 0.220E-02 0.620E-02 RMM: 6 -0.330447849944E+03 0.14999E-04 -0.19907E-05 2526 0.134E-02 8646 T= 5110. E= 0.67576388E+03 F= 0.62582114E+03 E0= 0.65441917E+03 EK= 0.41613E+02 SP= 0.83E+01 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329342833460E+03 0.11050E+01 -0.93644E-02 8360 0.210E+01 0.238E-01 RMM: 2 -0.329363634825E+03 -0.20801E-01 -0.94668E-02 5077 0.691E-01 0.136E+00 RMM: 3 -0.329350541210E+03 0.13094E-01 -0.10968E-02 5437 0.231E-01 0.228E-01 RMM: 4 -0.329350167216E+03 0.37399E-03 -0.10759E-03 5093 0.622E-02 0.816E-02 RMM: 5 -0.329350120616E+03 0.46600E-04 -0.93844E-05 3725 0.256E-02 0.708E-02 RMM: 6 -0.329350096455E+03 0.24160E-04 -0.23482E-05 2576 0.141E-02 0.598E-02 RMM: 7 -0.329350121726E+03 -0.25271E-04 -0.71213E-05 3590 0.226E-02 0.979E-02 RMM: 8 -0.329350061295E+03 0.60431E-04 -0.87975E-05 3862 0.217E-02 0.417E-02 RMM: 9 -0.329350051534E+03 0.97605E-05 -0.14291E-05 2524 0.107E-02 8647 T= 4994. E= 0.67577041E+03 F= 0.62691894E+03 E0= 0.65550823E+03 EK= 0.40665E+02 SP= 0.81E+01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328639853381E+03 0.71021E+00 -0.85391E-02 7944 0.207E+01 0.269E-01 RMM: 2 -0.328658558302E+03 -0.18705E-01 -0.79426E-02 5160 0.651E-01 0.136E+00 RMM: 3 -0.328645672316E+03 0.12886E-01 -0.97171E-03 5448 0.222E-01 0.211E-01 RMM: 4 -0.328645527384E+03 0.14493E-03 -0.12533E-03 4655 0.773E-02 0.184E-01 RMM: 5 -0.328645408687E+03 0.11870E-03 -0.21476E-04 3881 0.363E-02 0.142E-01 RMM: 6 -0.328645271586E+03 0.13710E-03 -0.79057E-05 3554 0.263E-02 0.307E-02 RMM: 7 -0.328645276993E+03 -0.54069E-05 -0.21971E-05 2558 0.138E-02 8648 T= 4930. E= 0.67577441E+03 F= 0.62762371E+03 E0= 0.65620450E+03 EK= 0.40148E+02 SP= 0.79E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328382876169E+03 0.26240E+00 -0.81322E-02 7944 0.206E+01 0.143E-01 RMM: 2 -0.328393220740E+03 -0.10345E-01 -0.72688E-02 5040 0.615E-01 0.753E-01 RMM: 3 -0.328389092084E+03 0.41287E-02 -0.75992E-03 5716 0.172E-01 0.156E-01 RMM: 4 -0.328388866952E+03 0.22513E-03 -0.47661E-04 4548 0.464E-02 0.605E-02 RMM: 5 -0.328388841323E+03 0.25629E-04 -0.50070E-05 3087 0.205E-02 0.533E-02 RMM: 6 -0.328388830747E+03 0.10577E-04 -0.18918E-05 2509 0.132E-02 8649 T= 4927. E= 0.67577499E+03 F= 0.62788016E+03 E0= 0.65645117E+03 EK= 0.40122E+02 SP= 0.76E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328582560233E+03 -0.19372E+00 -0.77750E-02 8048 0.207E+01 0.232E-01 RMM: 2 -0.328597825333E+03 -0.15265E-01 -0.59934E-02 5001 0.589E-01 0.126E+00 RMM: 3 -0.328587110062E+03 0.10715E-01 -0.83806E-03 5389 0.215E-01 0.203E-01 RMM: 4 -0.328586826985E+03 0.28308E-03 -0.85923E-04 4925 0.546E-02 0.647E-02 RMM: 5 -0.328586792034E+03 0.34951E-04 -0.69570E-05 3538 0.226E-02 0.599E-02 RMM: 6 -0.328586775226E+03 0.16808E-04 -0.19558E-05 2525 0.135E-02 8650 T= 4985. E= 0.67577189E+03 F= 0.62768221E+03 E0= 0.65624184E+03 EK= 0.40593E+02 SP= 0.72E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329190101113E+03 -0.60331E+00 -0.77734E-02 7440 0.209E+01 0.259E-01 RMM: 2 -0.329207385211E+03 -0.17284E-01 -0.61461E-02 5024 0.607E-01 0.135E+00 RMM: 3 -0.329195013869E+03 0.12371E-01 -0.95236E-03 5383 0.234E-01 0.313E-01 RMM: 4 -0.329194333144E+03 0.68073E-03 -0.11134E-03 4623 0.705E-02 0.671E-02 RMM: 5 -0.329194313670E+03 0.19474E-04 -0.12630E-04 4045 0.266E-02 8651 T= 5099. E= 0.67576588E+03 F= 0.62707468E+03 E0= 0.65562126E+03 EK= 0.41520E+02 SP= 0.68E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330118141233E+03 -0.92381E+00 -0.80669E-02 7992 0.213E+01 0.170E-01 RMM: 2 -0.330130238152E+03 -0.12097E-01 -0.63101E-02 5033 0.589E-01 0.988E-01 RMM: 3 -0.330123478004E+03 0.67601E-02 -0.71676E-03 5465 0.182E-01 0.194E-01 RMM: 4 -0.330123198047E+03 0.27996E-03 -0.64580E-04 4613 0.535E-02 0.698E-02 RMM: 5 -0.330123168083E+03 0.29965E-04 -0.68563E-05 3547 0.210E-02 0.619E-02 RMM: 6 -0.330123150277E+03 0.17805E-04 -0.18114E-05 2506 0.131E-02 8652 T= 5258. E= 0.67575768E+03 F= 0.62614584E+03 E0= 0.65467785E+03 EK= 0.42819E+02 SP= 0.63E+01 SK= 0.50E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331251469241E+03 -0.11283E+01 -0.89133E-02 7912 0.218E+01 0.283E-01 RMM: 2 -0.331272092437E+03 -0.20623E-01 -0.82091E-02 4863 0.705E-01 0.146E+00 RMM: 3 -0.331257619136E+03 0.14473E-01 -0.11977E-02 5367 0.259E-01 0.231E-01 RMM: 4 -0.331257270670E+03 0.34847E-03 -0.12430E-03 4875 0.674E-02 0.918E-02 RMM: 5 -0.331257241420E+03 0.29250E-04 -0.14404E-04 3856 0.318E-02 0.912E-02 RMM: 6 -0.331257189130E+03 0.52290E-04 -0.39238E-05 3020 0.192E-02 0.356E-02 RMM: 7 -0.331257192881E+03 -0.37510E-05 -0.15471E-05 2504 0.124E-02 8653 T= 5449. E= 0.67574859E+03 F= 0.62501180E+03 E0= 0.65352722E+03 EK= 0.44374E+02 SP= 0.58E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332466863518E+03 -0.12097E+01 -0.91140E-02 7752 0.223E+01 0.205E-01 RMM: 2 -0.332482556955E+03 -0.15693E-01 -0.82522E-02 4875 0.677E-01 0.111E+00 RMM: 3 -0.332473802772E+03 0.87542E-02 -0.99395E-03 5453 0.218E-01 0.198E-01 RMM: 4 -0.332473580432E+03 0.22234E-03 -0.97063E-04 4657 0.664E-02 0.132E-01 RMM: 5 -0.332473476358E+03 0.10407E-03 -0.15173E-04 3877 0.339E-02 0.737E-02 RMM: 6 -0.332473440220E+03 0.36138E-04 -0.33878E-05 2859 0.177E-02 0.365E-02 RMM: 7 -0.332473437593E+03 0.26271E-05 -0.15065E-05 2499 0.121E-02 8654 T= 5656. E= 0.67574016E+03 F= 0.62379555E+03 E0= 0.65229090E+03 EK= 0.46062E+02 SP= 0.52E+01 SK= 0.67E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333651951325E+03 -0.11785E+01 -0.10218E-01 7696 0.228E+01 0.183E-01 RMM: 2 -0.333666237801E+03 -0.14286E-01 -0.94846E-02 4774 0.734E-01 0.950E-01 RMM: 3 -0.333659964084E+03 0.62737E-02 -0.11235E-02 5670 0.217E-01 0.162E-01 RMM: 4 -0.333659707982E+03 0.25610E-03 -0.72906E-04 5093 0.543E-02 0.774E-02 RMM: 5 -0.333659659290E+03 0.48693E-04 -0.81588E-05 3605 0.270E-02 0.611E-02 RMM: 6 -0.333659642228E+03 0.17061E-04 -0.22725E-05 2535 0.141E-02 8655 T= 5866. E= 0.67573349E+03 F= 0.62260935E+03 E0= 0.65108106E+03 EK= 0.47768E+02 SP= 0.46E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334720897141E+03 -0.10612E+01 -0.10416E-01 7968 0.232E+01 0.191E-01 RMM: 2 -0.334735011385E+03 -0.14114E-01 -0.84049E-02 4879 0.689E-01 0.101E+00 RMM: 3 -0.334727896692E+03 0.71147E-02 -0.98688E-03 5494 0.213E-01 0.177E-01 RMM: 4 -0.334727668980E+03 0.22771E-03 -0.76830E-04 4913 0.557E-02 0.806E-02 RMM: 5 -0.334727614522E+03 0.54458E-04 -0.81104E-05 3678 0.257E-02 0.593E-02 RMM: 6 -0.334727601848E+03 0.12674E-04 -0.20166E-05 2525 0.131E-02 8656 T= 6066. E= 0.67572911E+03 F= 0.62154139E+03 E0= 0.64998626E+03 EK= 0.49399E+02 SP= 0.40E+01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335613025218E+03 -0.88541E+00 -0.10694E-01 7696 0.236E+01 0.264E-01 RMM: 2 -0.335636592077E+03 -0.23567E-01 -0.96212E-02 4836 0.754E-01 0.153E+00 RMM: 3 -0.335620697920E+03 0.15894E-01 -0.12669E-02 5413 0.259E-01 0.264E-01 RMM: 4 -0.335620183295E+03 0.51462E-03 -0.13152E-03 4727 0.752E-02 0.842E-02 RMM: 5 -0.335620151768E+03 0.31527E-04 -0.15699E-04 3975 0.309E-02 0.846E-02 RMM: 6 -0.335620107690E+03 0.44078E-04 -0.30658E-05 2669 0.169E-02 0.461E-02 RMM: 7 -0.335620106185E+03 0.15054E-05 -0.21704E-05 2524 0.144E-02 8657 T= 6249. E= 0.67572663E+03 F= 0.62064888E+03 E0= 0.64906283E+03 EK= 0.50890E+02 SP= 0.34E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336302574202E+03 -0.68247E+00 -0.11385E-01 7720 0.239E+01 0.217E-01 RMM: 2 -0.336321006500E+03 -0.18432E-01 -0.10321E-01 4797 0.768E-01 0.119E+00 RMM: 3 -0.336311240631E+03 0.97659E-02 -0.12483E-02 5535 0.237E-01 0.205E-01 RMM: 4 -0.336310945032E+03 0.29560E-03 -0.10551E-03 4727 0.704E-02 0.112E-01 RMM: 5 -0.336310890276E+03 0.54756E-04 -0.15126E-04 3884 0.312E-02 0.889E-02 RMM: 6 -0.336310839396E+03 0.50880E-04 -0.35140E-05 2925 0.180E-02 0.329E-02 RMM: 7 -0.336310842419E+03 -0.30231E-05 -0.19980E-05 2509 0.142E-02 8658 T= 6411. E= 0.67572612E+03 F= 0.61995815E+03 E0= 0.64833794E+03 EK= 0.52208E+02 SP= 0.27E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336793599761E+03 -0.48276E+00 -0.11963E-01 7712 0.241E+01 0.188E-01 RMM: 2 -0.336809172928E+03 -0.15573E-01 -0.10836E-01 4798 0.791E-01 0.949E-01 RMM: 3 -0.336802910748E+03 0.62622E-02 -0.12902E-02 5819 0.222E-01 0.171E-01 RMM: 4 -0.336802585405E+03 0.32534E-03 -0.73735E-04 4733 0.617E-02 0.894E-02 RMM: 5 -0.336802533780E+03 0.51625E-04 -0.10812E-04 3781 0.275E-02 0.701E-02 RMM: 6 -0.336802507601E+03 0.26179E-04 -0.25843E-05 2564 0.152E-02 0.427E-02 RMM: 7 -0.336802503213E+03 0.43881E-05 -0.22470E-05 2510 0.148E-02 8659 T= 6551. E= 0.67572763E+03 F= 0.61946649E+03 E0= 0.64780898E+03 EK= 0.53347E+02 SP= 0.21E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337113506097E+03 -0.31100E+00 -0.12333E-01 7752 0.243E+01 0.160E-01 RMM: 2 -0.337127736963E+03 -0.14231E-01 -0.12073E-01 4829 0.814E-01 0.712E-01 RMM: 3 -0.337124136449E+03 0.36005E-02 -0.13805E-02 6060 0.210E-01 0.133E-01 RMM: 4 -0.337123824799E+03 0.31165E-03 -0.59707E-04 4773 0.579E-02 0.949E-02 RMM: 5 -0.337123763645E+03 0.61155E-04 -0.82426E-05 3595 0.264E-02 0.565E-02 RMM: 6 -0.337123749277E+03 0.14368E-04 -0.21766E-05 2534 0.138E-02 8660 T= 6671. E= 0.67573012E+03 F= 0.61914524E+03 E0= 0.64744981E+03 EK= 0.54328E+02 SP= 0.14E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337307140965E+03 -0.18338E+00 -0.12706E-01 7608 0.245E+01 0.191E-01 RMM: 2 -0.337324558327E+03 -0.17417E-01 -0.12099E-01 4834 0.817E-01 0.981E-01 RMM: 3 -0.337317612558E+03 0.69458E-02 -0.14024E-02 5731 0.232E-01 0.151E-01 RMM: 4 -0.337317320125E+03 0.29243E-03 -0.75420E-04 5032 0.582E-02 0.844E-02 RMM: 5 -0.337317263520E+03 0.56605E-04 -0.87764E-05 3785 0.261E-02 0.603E-02 RMM: 6 -0.337317251155E+03 0.12366E-04 -0.20897E-05 2530 0.134E-02 8661 T= 6777. E= 0.67573308E+03 F= 0.61895174E+03 E0= 0.64721928E+03 EK= 0.55185E+02 SP= 0.79E+00 SK= 0.81E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337420395815E+03 -0.10313E+00 -0.12305E-01 7768 0.246E+01 0.273E-01 RMM: 2 -0.337444267076E+03 -0.23871E-01 -0.10576E-01 4932 0.786E-01 0.148E+00 RMM: 3 -0.337428833725E+03 0.15433E-01 -0.13410E-02 5408 0.265E-01 0.250E-01 RMM: 4 -0.337428372315E+03 0.46141E-03 -0.12866E-03 4797 0.732E-02 0.774E-02 RMM: 5 -0.337428359329E+03 0.12986E-04 -0.14714E-04 3931 0.303E-02 8662 T= 6872. E= 0.67573643E+03 F= 0.61884063E+03 E0= 0.64707512E+03 EK= 0.55960E+02 SP= 0.16E+00 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337485551596E+03 -0.57179E-01 -0.12265E-01 7824 0.247E+01 0.220E-01 RMM: 2 -0.337504165775E+03 -0.18614E-01 -0.11728E-01 4911 0.803E-01 0.108E+00 RMM: 3 -0.337495853548E+03 0.83122E-02 -0.13673E-02 5531 0.243E-01 0.260E-01 RMM: 4 -0.337495330001E+03 0.52355E-03 -0.10671E-03 4794 0.696E-02 0.858E-02 RMM: 5 -0.337495288553E+03 0.41447E-04 -0.13781E-04 4223 0.286E-02 0.749E-02 RMM: 6 -0.337495264038E+03 0.24515E-04 -0.26106E-05 2569 0.150E-02 0.579E-02 RMM: 7 -0.337495281084E+03 -0.17046E-04 -0.58471E-05 3374 0.205E-02 8663 T= 6960. E= 0.67573813E+03 F= 0.61877371E+03 E0= 0.64698152E+03 EK= 0.56682E+02 SP= -.46E+00 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337526019738E+03 -0.30756E-01 -0.13839E-01 7824 0.248E+01 0.256E-01 RMM: 2 -0.337547269830E+03 -0.21250E-01 -0.15191E-01 4714 0.936E-01 0.111E+00 RMM: 3 -0.337538695212E+03 0.85746E-02 -0.17726E-02 5744 0.262E-01 0.177E-01 RMM: 4 -0.337538435244E+03 0.25997E-03 -0.11679E-03 4911 0.752E-02 0.168E-01 RMM: 5 -0.337538321655E+03 0.11359E-03 -0.19259E-04 3889 0.352E-02 0.108E-01 RMM: 6 -0.337538245168E+03 0.76486E-04 -0.58202E-05 3317 0.221E-02 0.241E-02 RMM: 7 -0.337538252240E+03 -0.70714E-05 -0.15758E-05 2515 0.126E-02 8664 T= 7045. E= 0.67573781E+03 F= 0.61873074E+03 E0= 0.64691803E+03 EK= 0.57368E+02 SP= -.11E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337544695058E+03 -0.64499E-02 -0.13181E-01 7720 0.249E+01 0.182E-01 RMM: 2 -0.337560831372E+03 -0.16136E-01 -0.12601E-01 4966 0.820E-01 0.841E-01 RMM: 3 -0.337555653554E+03 0.51778E-02 -0.13325E-02 5846 0.223E-01 0.158E-01 RMM: 4 -0.337555354997E+03 0.29856E-03 -0.68283E-04 4751 0.589E-02 0.105E-01 RMM: 5 -0.337555268398E+03 0.86598E-04 -0.10276E-04 3699 0.281E-02 0.658E-02 RMM: 6 -0.337555245239E+03 0.23160E-04 -0.27794E-05 2585 0.156E-02 0.479E-02 RMM: 7 -0.337555232788E+03 0.12451E-04 -0.38165E-05 2669 0.174E-02 8665 T= 7124. E= 0.67573617E+03 F= 0.61871376E+03 E0= 0.64688841E+03 EK= 0.58011E+02 SP= -.16E+01 SK= 0.64E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337516234891E+03 0.39010E-01 -0.13306E-01 7872 0.250E+01 0.182E-01 RMM: 2 -0.337531295541E+03 -0.15061E-01 -0.12229E-01 4891 0.821E-01 0.805E-01 RMM: 3 -0.337526832098E+03 0.44634E-02 -0.13672E-02 5995 0.220E-01 0.149E-01 RMM: 4 -0.337526497645E+03 0.33445E-03 -0.63589E-04 4821 0.583E-02 0.972E-02 RMM: 5 -0.337526443455E+03 0.54190E-04 -0.88316E-05 3632 0.275E-02 0.627E-02 RMM: 6 -0.337526425421E+03 0.18034E-04 -0.23508E-05 2555 0.146E-02 8666 T= 7195. E= 0.67573389E+03 F= 0.61874256E+03 E0= 0.64691336E+03 EK= 0.58588E+02 SP= -.22E+01 SK= 0.58E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337412520454E+03 0.11392E+00 -0.13649E-01 7808 0.251E+01 0.244E-01 RMM: 2 -0.337435382398E+03 -0.22862E-01 -0.12972E-01 4994 0.837E-01 0.130E+00 RMM: 3 -0.337423417136E+03 0.11965E-01 -0.14374E-02 5560 0.253E-01 0.217E-01 RMM: 4 -0.337423036684E+03 0.38045E-03 -0.11171E-03 4778 0.711E-02 0.107E-01 RMM: 5 -0.337422961887E+03 0.74798E-04 -0.14323E-04 3965 0.309E-02 0.759E-02 RMM: 6 -0.337422930109E+03 0.31777E-04 -0.29961E-05 2689 0.163E-02 0.534E-02 RMM: 7 -0.337422932210E+03 -0.21004E-05 -0.33811E-05 2687 0.179E-02 8667 T= 7253. E= 0.67573169E+03 F= 0.61884606E+03 E0= 0.64702024E+03 EK= 0.59066E+02 SP= -.27E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337206311517E+03 0.21662E+00 -0.13493E-01 7696 0.251E+01 0.273E-01 RMM: 2 -0.337227887245E+03 -0.21576E-01 -0.12245E-01 5024 0.828E-01 0.128E+00 RMM: 3 -0.337216169702E+03 0.11718E-01 -0.13919E-02 5525 0.258E-01 0.252E-01 RMM: 4 -0.337215736246E+03 0.43346E-03 -0.13358E-03 4750 0.801E-02 0.124E-01 RMM: 5 -0.337215703945E+03 0.32301E-04 -0.18980E-04 3899 0.347E-02 0.118E-01 RMM: 6 -0.337215613470E+03 0.90475E-04 -0.54030E-05 3256 0.219E-02 0.343E-02 RMM: 7 -0.337215615472E+03 -0.20016E-05 -0.18067E-05 2517 0.132E-02 8668 T= 7296. E= 0.67573046E+03 F= 0.61905337E+03 E0= 0.64723827E+03 EK= 0.59414E+02 SP= -.32E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336871962559E+03 0.34365E+00 -0.13617E-01 7912 0.251E+01 0.232E-01 RMM: 2 -0.336892452875E+03 -0.20490E-01 -0.13438E-01 5021 0.846E-01 0.114E+00 RMM: 3 -0.336883178078E+03 0.92748E-02 -0.14361E-02 5795 0.244E-01 0.183E-01 RMM: 4 -0.336882851849E+03 0.32623E-03 -0.90297E-04 4775 0.661E-02 0.119E-01 RMM: 5 -0.336882755866E+03 0.95983E-04 -0.12817E-04 3867 0.304E-02 0.737E-02 RMM: 6 -0.336882726748E+03 0.29118E-04 -0.32112E-05 2790 0.170E-02 0.482E-02 RMM: 7 -0.336882724686E+03 0.20613E-05 -0.35853E-05 2645 0.174E-02 8669 T= 7319. E= 0.67573002E+03 F= 0.61938626E+03 E0= 0.64758704E+03 EK= 0.59605E+02 SP= -.37E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336399824045E+03 0.48290E+00 -0.13224E-01 7736 0.250E+01 0.201E-01 RMM: 2 -0.336415300168E+03 -0.15476E-01 -0.12368E-01 5013 0.815E-01 0.814E-01 RMM: 3 -0.336410193682E+03 0.51065E-02 -0.12833E-02 5960 0.228E-01 0.158E-01 RMM: 4 -0.336409938124E+03 0.25556E-03 -0.71339E-04 4728 0.598E-02 0.123E-01 RMM: 5 -0.336409848616E+03 0.89508E-04 -0.10820E-04 3711 0.297E-02 0.725E-02 RMM: 6 -0.336409819487E+03 0.29129E-04 -0.29051E-05 2696 0.165E-02 0.411E-02 RMM: 7 -0.336409821170E+03 -0.16830E-05 -0.20566E-05 2521 0.139E-02 8670 T= 7321. E= 0.67572957E+03 F= 0.61985917E+03 E0= 0.64808070E+03 EK= 0.59621E+02 SP= -.41E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335770651897E+03 0.63917E+00 -0.13874E-01 8040 0.250E+01 0.193E-01 RMM: 2 -0.335788525800E+03 -0.17874E-01 -0.14687E-01 4858 0.894E-01 0.825E-01 RMM: 3 -0.335783382654E+03 0.51431E-02 -0.16218E-02 6116 0.242E-01 0.162E-01 RMM: 4 -0.335783008736E+03 0.37392E-03 -0.75496E-04 4728 0.658E-02 0.120E-01 RMM: 5 -0.335782916115E+03 0.92621E-04 -0.11957E-04 3761 0.309E-02 0.686E-02 RMM: 6 -0.335782892225E+03 0.23891E-04 -0.30183E-05 2680 0.166E-02 0.417E-02 RMM: 7 -0.335782890495E+03 0.17292E-05 -0.26281E-05 2559 0.157E-02 8671 T= 7300. E= 0.67572918E+03 F= 0.62048610E+03 E0= 0.64873169E+03 EK= 0.59448E+02 SP= -.45E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334971540002E+03 0.81135E+00 -0.13868E-01 7848 0.249E+01 0.184E-01 RMM: 2 -0.334989483631E+03 -0.17944E-01 -0.15351E-01 4946 0.900E-01 0.763E-01 RMM: 3 -0.334984788930E+03 0.46947E-02 -0.16081E-02 6074 0.239E-01 0.152E-01 RMM: 4 -0.334984454068E+03 0.33486E-03 -0.72545E-04 4754 0.623E-02 0.118E-01 RMM: 5 -0.334984364305E+03 0.89763E-04 -0.10846E-04 3768 0.305E-02 0.660E-02 RMM: 6 -0.334984342830E+03 0.21475E-04 -0.29689E-05 2663 0.166E-02 0.440E-02 RMM: 7 -0.334984341431E+03 0.13991E-05 -0.29816E-05 2603 0.158E-02 8672 T= 7253. E= 0.67572884E+03 F= 0.62128465E+03 E0= 0.64955693E+03 EK= 0.59066E+02 SP= -.49E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333985090881E+03 0.99925E+00 -0.13533E-01 7936 0.248E+01 0.179E-01 RMM: 2 -0.334001022167E+03 -0.15931E-01 -0.13467E-01 4948 0.839E-01 0.750E-01 RMM: 3 -0.333996560301E+03 0.44619E-02 -0.13841E-02 6143 0.226E-01 0.168E-01 RMM: 4 -0.333996202197E+03 0.35810E-03 -0.65458E-04 4695 0.610E-02 0.102E-01 RMM: 5 -0.333996135669E+03 0.66529E-04 -0.99211E-05 3634 0.279E-02 0.694E-02 RMM: 6 -0.333996113283E+03 0.22386E-04 -0.27726E-05 2624 0.163E-02 0.437E-02 RMM: 7 -0.333996113555E+03 -0.27185E-06 -0.25885E-05 2580 0.150E-02 8673 T= 7179. E= 0.67572937E+03 F= 0.62227288E+03 E0= 0.65057336E+03 EK= 0.58461E+02 SP= -.52E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332797249427E+03 0.11989E+01 -0.13211E-01 7784 0.247E+01 0.177E-01 RMM: 2 -0.332813078913E+03 -0.15829E-01 -0.13346E-01 4997 0.825E-01 0.760E-01 RMM: 3 -0.332808549514E+03 0.45294E-02 -0.13614E-02 6111 0.225E-01 0.154E-01 RMM: 4 -0.332808257481E+03 0.29203E-03 -0.64304E-04 4680 0.588E-02 0.113E-01 RMM: 5 -0.332808175049E+03 0.82432E-04 -0.96825E-05 3617 0.284E-02 0.659E-02 RMM: 6 -0.332808156033E+03 0.19015E-04 -0.27085E-05 2608 0.158E-02 8674 T= 7076. E= 0.67573116E+03 F= 0.62346083E+03 E0= 0.65179005E+03 EK= 0.57623E+02 SP= -.55E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331418308535E+03 0.13899E+01 -0.13019E-01 7656 0.246E+01 0.180E-01 RMM: 2 -0.331436528788E+03 -0.18220E-01 -0.13638E-01 5096 0.818E-01 0.918E-01 RMM: 3 -0.331429855454E+03 0.66733E-02 -0.13314E-02 5663 0.236E-01 0.181E-01 RMM: 4 -0.331429562528E+03 0.29293E-03 -0.80712E-04 4922 0.600E-02 0.919E-02 RMM: 5 -0.331429502068E+03 0.60460E-04 -0.89040E-05 3751 0.255E-02 0.732E-02 RMM: 6 -0.331429486713E+03 0.15354E-04 -0.27220E-05 2590 0.159E-02 8675 T= 6947. E= 0.67573588E+03 F= 0.62483950E+03 E0= 0.65319702E+03 EK= 0.56569E+02 SP= -.58E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329893376736E+03 0.15361E+01 -0.12941E-01 7840 0.244E+01 0.381E-01 RMM: 2 -0.329941032080E+03 -0.47655E-01 -0.14437E-01 4925 0.897E-01 0.232E+00 RMM: 3 -0.329904347309E+03 0.36685E-01 -0.20864E-02 5388 0.344E-01 0.323E-01 RMM: 4 -0.329903564690E+03 0.78262E-03 -0.22965E-03 5205 0.962E-02 0.982E-02 RMM: 5 -0.329903534377E+03 0.30313E-04 -0.23465E-04 4271 0.309E-02 0.103E-01 RMM: 6 -0.329903472721E+03 0.61656E-04 -0.33219E-05 2857 0.176E-02 0.563E-02 RMM: 7 -0.329903490564E+03 -0.17843E-04 -0.36613E-05 2911 0.172E-02 8676 T= 6796. E= 0.67574247E+03 F= 0.62636550E+03 E0= 0.65474950E+03 EK= 0.55344E+02 SP= -.61E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328292695481E+03 0.16108E+01 -0.12769E-01 7784 0.241E+01 0.338E-01 RMM: 2 -0.328330318437E+03 -0.37623E-01 -0.14335E-01 4918 0.866E-01 0.193E+00 RMM: 3 -0.328304150471E+03 0.26168E-01 -0.18428E-02 5408 0.316E-01 0.358E-01 RMM: 4 -0.328303303486E+03 0.84699E-03 -0.23049E-03 5195 0.103E-01 0.134E-01 RMM: 5 -0.328303334117E+03 -0.30630E-04 -0.31965E-04 3953 0.415E-02 0.155E-01 RMM: 6 -0.328303165773E+03 0.16834E-03 -0.85762E-05 3572 0.263E-02 0.397E-02 RMM: 7 -0.328303167390E+03 -0.16175E-05 -0.23036E-05 2579 0.142E-02 8677 T= 6635. E= 0.67575095E+03 F= 0.62796582E+03 E0= 0.65637431E+03 EK= 0.54029E+02 SP= -.64E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326708858456E+03 0.15943E+01 -0.13393E-01 7824 0.238E+01 0.252E-01 RMM: 2 -0.326735103112E+03 -0.26245E-01 -0.14869E-01 4986 0.868E-01 0.138E+00 RMM: 3 -0.326721300986E+03 0.13802E-01 -0.16082E-02 5563 0.268E-01 0.219E-01 RMM: 4 -0.326720917391E+03 0.38360E-03 -0.12726E-03 4837 0.735E-02 0.110E-01 RMM: 5 -0.326720845298E+03 0.72093E-04 -0.16133E-04 4013 0.311E-02 0.893E-02 RMM: 6 -0.326720797658E+03 0.47640E-04 -0.34845E-05 2846 0.178E-02 0.494E-02 RMM: 7 -0.326720801057E+03 -0.33983E-05 -0.27786E-05 2628 0.156E-02 8678 T= 6474. E= 0.67575901E+03 F= 0.62954819E+03 E0= 0.65797803E+03 EK= 0.52719E+02 SP= -.66E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325237067168E+03 0.14837E+01 -0.13258E-01 7952 0.235E+01 0.227E-01 RMM: 2 -0.325257668427E+03 -0.20601E-01 -0.13342E-01 5090 0.823E-01 0.113E+00 RMM: 3 -0.325248241461E+03 0.94270E-02 -0.13689E-02 5707 0.236E-01 0.194E-01 RMM: 4 -0.325247897316E+03 0.34414E-03 -0.96309E-04 4748 0.676E-02 0.108E-01 RMM: 5 -0.325247847983E+03 0.49333E-04 -0.13961E-04 3852 0.300E-02 0.829E-02 RMM: 6 -0.325247804283E+03 0.43700E-04 -0.32587E-05 2869 0.174E-02 0.369E-02 RMM: 7 -0.325247806479E+03 -0.21958E-05 -0.16855E-05 2514 0.129E-02 8679 T= 6326. E= 0.67576629E+03 F= 0.63102118E+03 E0= 0.65946967E+03 EK= 0.51513E+02 SP= -.69E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323947749428E+03 0.13001E+01 -0.13876E-01 8072 0.233E+01 0.182E-01 RMM: 2 -0.323965516865E+03 -0.17767E-01 -0.15083E-01 4898 0.884E-01 0.767E-01 RMM: 3 -0.323960974460E+03 0.45424E-02 -0.16329E-02 6074 0.232E-01 0.129E-01 RMM: 4 -0.323960652577E+03 0.32188E-03 -0.74420E-04 4702 0.650E-02 0.142E-01 RMM: 5 -0.323960521491E+03 0.13109E-03 -0.12752E-04 3824 0.317E-02 0.630E-02 RMM: 6 -0.323960499830E+03 0.21661E-04 -0.27429E-05 2599 0.155E-02 0.395E-02 RMM: 7 -0.323960498206E+03 0.16235E-05 -0.23824E-05 2540 0.148E-02 8680 T= 6200. E= 0.67577088E+03 F= 0.63230849E+03 E0= 0.66077346E+03 EK= 0.50491E+02 SP= -.72E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322895501594E+03 0.10650E+01 -0.13294E-01 8184 0.231E+01 0.185E-01 RMM: 2 -0.322911210340E+03 -0.15709E-01 -0.12940E-01 5023 0.815E-01 0.775E-01 RMM: 3 -0.322906700164E+03 0.45102E-02 -0.13438E-02 6058 0.218E-01 0.153E-01 RMM: 4 -0.322906384577E+03 0.31559E-03 -0.65780E-04 4754 0.584E-02 0.110E-01 RMM: 5 -0.322906319866E+03 0.64712E-04 -0.10781E-04 3699 0.283E-02 0.733E-02 RMM: 6 -0.322906287323E+03 0.32543E-04 -0.30721E-05 2799 0.170E-02 0.374E-02 RMM: 7 -0.322906294163E+03 -0.68403E-05 -0.24049E-05 2557 0.147E-02 8681 T= 6104. E= 0.67577320E+03 F= 0.63336270E+03 E0= 0.66184246E+03 EK= 0.49705E+02 SP= -.75E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322089895649E+03 0.81639E+00 -0.13840E-01 7936 0.231E+01 0.189E-01 RMM: 2 -0.322109277025E+03 -0.19381E-01 -0.16132E-01 4973 0.905E-01 0.821E-01 RMM: 3 -0.322104001083E+03 0.52759E-02 -0.17185E-02 6107 0.231E-01 0.153E-01 RMM: 4 -0.322103596074E+03 0.40501E-03 -0.80684E-04 4760 0.678E-02 0.129E-01 RMM: 5 -0.322103488918E+03 0.10716E-03 -0.12507E-04 3805 0.297E-02 0.661E-02 RMM: 6 -0.322103465384E+03 0.23534E-04 -0.27527E-05 2654 0.159E-02 0.344E-02 RMM: 7 -0.322103467572E+03 -0.21883E-05 -0.17545E-05 2513 0.127E-02 8682 T= 6039. E= 0.67577424E+03 F= 0.63416552E+03 E0= 0.66265897E+03 EK= 0.49181E+02 SP= -.78E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321535855876E+03 0.56761E+00 -0.13416E-01 7912 0.231E+01 0.166E-01 RMM: 2 -0.321551939255E+03 -0.16083E-01 -0.14508E-01 4879 0.869E-01 0.645E-01 RMM: 3 -0.321548681290E+03 0.32580E-02 -0.16092E-02 6183 0.226E-01 0.130E-01 RMM: 4 -0.321548318674E+03 0.36262E-03 -0.64376E-04 4715 0.609E-02 0.122E-01 RMM: 5 -0.321548225908E+03 0.92766E-04 -0.10437E-04 3670 0.298E-02 0.655E-02 RMM: 6 -0.321548202745E+03 0.23163E-04 -0.28055E-05 2622 0.159E-02 0.416E-02 RMM: 7 -0.321548199631E+03 0.31143E-05 -0.31807E-05 2618 0.165E-02 8683 T= 6007. E= 0.67577379E+03 F= 0.63472079E+03 E0= 0.66322675E+03 EK= 0.48916E+02 SP= -.81E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321211691208E+03 0.33651E+00 -0.12682E-01 7936 0.231E+01 0.185E-01 RMM: 2 -0.321227118396E+03 -0.15427E-01 -0.12695E-01 5012 0.815E-01 0.791E-01 RMM: 3 -0.321222520743E+03 0.45977E-02 -0.13593E-02 6129 0.213E-01 0.151E-01 RMM: 4 -0.321222184699E+03 0.33604E-03 -0.67085E-04 4717 0.615E-02 0.121E-01 RMM: 5 -0.321222088491E+03 0.96207E-04 -0.10818E-04 3707 0.280E-02 0.659E-02 RMM: 6 -0.321222066678E+03 0.21814E-04 -0.26076E-05 2623 0.156E-02 0.397E-02 RMM: 7 -0.321222066651E+03 0.26979E-07 -0.19872E-05 2525 0.135E-02 8684 T= 6004. E= 0.67577245E+03 F= 0.63504692E+03 E0= 0.66356420E+03 EK= 0.48897E+02 SP= -.84E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321086899096E+03 0.13517E+00 -0.12704E-01 7880 0.232E+01 0.162E-01 RMM: 2 -0.321101331879E+03 -0.14433E-01 -0.13037E-01 4927 0.822E-01 0.624E-01 RMM: 3 -0.321098309126E+03 0.30228E-02 -0.14364E-02 6197 0.214E-01 0.131E-01 RMM: 4 -0.321097983469E+03 0.32566E-03 -0.57039E-04 4656 0.578E-02 0.126E-01 RMM: 5 -0.321097876042E+03 0.10743E-03 -0.98191E-05 3631 0.291E-02 0.597E-02 RMM: 6 -0.321097859286E+03 0.16756E-04 -0.24905E-05 2566 0.149E-02 8685 T= 6029. E= 0.67577096E+03 F= 0.63517113E+03 E0= 0.66369833E+03 EK= 0.49097E+02 SP= -.88E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321137073074E+03 -0.39197E-01 -0.12314E-01 7704 0.233E+01 0.207E-01 RMM: 2 -0.321155373055E+03 -0.18300E-01 -0.11968E-01 4990 0.792E-01 0.107E+00 RMM: 3 -0.321147252241E+03 0.81208E-02 -0.13382E-02 5760 0.231E-01 0.201E-01 RMM: 4 -0.321146850159E+03 0.40208E-03 -0.85353E-04 4834 0.624E-02 0.883E-02 RMM: 5 -0.321146797714E+03 0.52445E-04 -0.10836E-04 3888 0.262E-02 0.703E-02 RMM: 6 -0.321146774390E+03 0.23324E-04 -0.24578E-05 2585 0.149E-02 0.533E-02 RMM: 7 -0.321146776522E+03 -0.21329E-05 -0.30673E-05 2663 0.170E-02 8686 T= 6077. E= 0.67576899E+03 F= 0.63512221E+03 E0= 0.66365865E+03 EK= 0.49489E+02 SP= -.91E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321335072323E+03 -0.18830E+00 -0.11904E-01 7752 0.234E+01 0.221E-01 RMM: 2 -0.321352322632E+03 -0.17250E-01 -0.11495E-01 4911 0.790E-01 0.102E+00 RMM: 3 -0.321344719357E+03 0.76033E-02 -0.13116E-02 5709 0.230E-01 0.216E-01 RMM: 4 -0.321344345932E+03 0.37343E-03 -0.10402E-03 4703 0.736E-02 0.126E-01 RMM: 5 -0.321344273972E+03 0.71959E-04 -0.16129E-04 3874 0.324E-02 0.915E-02 RMM: 6 -0.321344220050E+03 0.53923E-04 -0.35373E-05 2966 0.183E-02 0.307E-02 RMM: 7 -0.321344220671E+03 -0.62128E-06 -0.15741E-05 2502 0.124E-02 8687 T= 6146. E= 0.67576734E+03 F= 0.63492477E+03 E0= 0.66346920E+03 EK= 0.50048E+02 SP= -.95E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321657726150E+03 -0.31351E+00 -0.11816E-01 7768 0.235E+01 0.198E-01 RMM: 2 -0.321674875266E+03 -0.17149E-01 -0.12117E-01 4934 0.800E-01 0.984E-01 RMM: 3 -0.321668084275E+03 0.67910E-02 -0.13822E-02 5858 0.224E-01 0.159E-01 RMM: 4 -0.321667742896E+03 0.34138E-03 -0.75535E-04 4857 0.603E-02 0.104E-01 RMM: 5 -0.321667668102E+03 0.74794E-04 -0.10566E-04 3747 0.273E-02 0.661E-02 RMM: 6 -0.321667644962E+03 0.23140E-04 -0.25931E-05 2572 0.153E-02 0.444E-02 RMM: 7 -0.321667642083E+03 0.28789E-05 -0.22153E-05 2538 0.143E-02 8688 T= 6232. E= 0.67576585E+03 F= 0.63460135E+03 E0= 0.66315335E+03 EK= 0.50751E+02 SP= -.99E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322081540852E+03 -0.41390E+00 -0.12040E-01 7944 0.237E+01 0.180E-01 RMM: 2 -0.322097822638E+03 -0.16282E-01 -0.12940E-01 4806 0.833E-01 0.814E-01 RMM: 3 -0.322092986762E+03 0.48359E-02 -0.15360E-02 6004 0.225E-01 0.163E-01 RMM: 4 -0.322092582811E+03 0.40395E-03 -0.71189E-04 4849 0.606E-02 0.909E-02 RMM: 5 -0.322092531939E+03 0.50872E-04 -0.98315E-05 3736 0.268E-02 0.637E-02 RMM: 6 -0.322092510604E+03 0.21335E-04 -0.24053E-05 2562 0.148E-02 0.387E-02 RMM: 7 -0.322092510994E+03 -0.38965E-06 -0.16607E-05 2502 0.128E-02 8689 T= 6333. E= 0.67576393E+03 F= 0.63417648E+03 E0= 0.66273552E+03 EK= 0.51570E+02 SP= -.10E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322579949823E+03 -0.48744E+00 -0.12649E-01 7808 0.238E+01 0.164E-01 RMM: 2 -0.322595558363E+03 -0.15609E-01 -0.13423E-01 4744 0.852E-01 0.709E-01 RMM: 3 -0.322591827638E+03 0.37307E-02 -0.15984E-02 6163 0.224E-01 0.135E-01 RMM: 4 -0.322591467701E+03 0.35994E-03 -0.67827E-04 4728 0.632E-02 0.118E-01 RMM: 5 -0.322591375477E+03 0.92224E-04 -0.10534E-04 3642 0.293E-02 0.579E-02 RMM: 6 -0.322591358499E+03 0.16978E-04 -0.25947E-05 2568 0.152E-02 8690 T= 6444. E= 0.67576196E+03 F= 0.63367763E+03 E0= 0.66224323E+03 EK= 0.52477E+02 SP= -.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323121803825E+03 -0.53043E+00 -0.12583E-01 7816 0.239E+01 0.184E-01 RMM: 2 -0.323139594311E+03 -0.17790E-01 -0.12950E-01 4782 0.839E-01 0.939E-01 RMM: 3 -0.323133279881E+03 0.63144E-02 -0.15360E-02 5828 0.233E-01 0.186E-01 RMM: 4 -0.323132837864E+03 0.44202E-03 -0.77845E-04 4921 0.620E-02 0.787E-02 RMM: 5 -0.323132796623E+03 0.41241E-04 -0.10540E-04 3872 0.273E-02 0.645E-02 RMM: 6 -0.323132776424E+03 0.20199E-04 -0.23866E-05 2562 0.145E-02 0.519E-02 RMM: 7 -0.323132780413E+03 -0.39885E-05 -0.29180E-05 2615 0.164E-02 8691 T= 6562. E= 0.67575907E+03 F= 0.63313621E+03 E0= 0.66170671E+03 EK= 0.53434E+02 SP= -.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323674806384E+03 -0.54203E+00 -0.11819E-01 7832 0.241E+01 0.194E-01 RMM: 2 -0.323688344865E+03 -0.13538E-01 -0.99454E-02 4813 0.758E-01 0.866E-01 RMM: 3 -0.323683242511E+03 0.51024E-02 -0.12031E-02 5815 0.216E-01 0.176E-01 RMM: 4 -0.323682954805E+03 0.28771E-03 -0.77709E-04 4692 0.637E-02 0.113E-01 RMM: 5 -0.323682889892E+03 0.64912E-04 -0.12440E-04 3729 0.296E-02 0.722E-02 RMM: 6 -0.323682858033E+03 0.31859E-04 -0.27602E-05 2680 0.162E-02 0.266E-02 RMM: 7 -0.323682860838E+03 -0.28051E-05 -0.13614E-05 2490 0.120E-02 8692 T= 6681. E= 0.67575635E+03 F= 0.63258613E+03 E0= 0.66115968E+03 EK= 0.54406E+02 SP= -.12E+02 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324198764578E+03 -0.51591E+00 -0.12905E-01 7672 0.242E+01 0.176E-01 RMM: 2 -0.324216055309E+03 -0.17291E-01 -0.13883E-01 4846 0.865E-01 0.841E-01 RMM: 3 -0.324210987886E+03 0.50674E-02 -0.16043E-02 5991 0.226E-01 0.154E-01 RMM: 4 -0.324210568627E+03 0.41926E-03 -0.72392E-04 4837 0.623E-02 0.986E-02 RMM: 5 -0.324210504316E+03 0.64312E-04 -0.10560E-04 3731 0.280E-02 0.647E-02 RMM: 6 -0.324210480557E+03 0.23758E-04 -0.26723E-05 2590 0.156E-02 0.428E-02 RMM: 7 -0.324210479061E+03 0.14965E-05 -0.18623E-05 2514 0.130E-02 8693 T= 6798. E= 0.67575443E+03 F= 0.63205851E+03 E0= 0.66063070E+03 EK= 0.55356E+02 SP= -.12E+02 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324682445531E+03 -0.47196E+00 -0.12348E-01 7864 0.243E+01 0.167E-01 RMM: 2 -0.324695201074E+03 -0.12756E-01 -0.10594E-01 4898 0.765E-01 0.718E-01 RMM: 3 -0.324691554828E+03 0.36462E-02 -0.12225E-02 5956 0.205E-01 0.131E-01 RMM: 4 -0.324691282341E+03 0.27249E-03 -0.58607E-04 4862 0.540E-02 0.938E-02 RMM: 5 -0.324691228370E+03 0.53971E-04 -0.81254E-05 3602 0.258E-02 0.551E-02 RMM: 6 -0.324691213960E+03 0.14409E-04 -0.20861E-05 2541 0.136E-02 8694 T= 6908. E= 0.67575353E+03 F= 0.63157778E+03 E0= 0.66014423E+03 EK= 0.56256E+02 SP= -.12E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325102348086E+03 -0.41112E+00 -0.12825E-01 7656 0.244E+01 0.197E-01 RMM: 2 -0.325121746264E+03 -0.19398E-01 -0.12757E-01 4808 0.842E-01 0.109E+00 RMM: 3 -0.325113401815E+03 0.83444E-02 -0.15056E-02 5758 0.237E-01 0.162E-01 RMM: 4 -0.325113079768E+03 0.32205E-03 -0.84381E-04 4926 0.621E-02 0.973E-02 RMM: 5 -0.325113014969E+03 0.64799E-04 -0.11155E-04 3961 0.283E-02 0.636E-02 RMM: 6 -0.325112997508E+03 0.17461E-04 -0.24551E-05 2553 0.143E-02 8695 T= 7010. E= 0.67575354E+03 F= 0.63115599E+03 E0= 0.65971166E+03 EK= 0.57087E+02 SP= -.13E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325467555588E+03 -0.35454E+00 -0.12602E-01 7712 0.245E+01 0.277E-01 RMM: 2 -0.325491698361E+03 -0.24143E-01 -0.10078E-01 5005 0.766E-01 0.153E+00 RMM: 3 -0.325475557872E+03 0.16140E-01 -0.13254E-02 5408 0.263E-01 0.255E-01 RMM: 4 -0.325475083414E+03 0.47446E-03 -0.13332E-03 4765 0.731E-02 0.848E-02 RMM: 5 -0.325475053528E+03 0.29886E-04 -0.14797E-04 4057 0.299E-02 0.806E-02 RMM: 6 -0.325475015373E+03 0.38155E-04 -0.26562E-05 2578 0.151E-02 0.511E-02 RMM: 7 -0.325475023995E+03 -0.86218E-05 -0.31129E-05 2754 0.172E-02 8696 T= 7103. E= 0.67575395E+03 F= 0.63079397E+03 E0= 0.65933485E+03 EK= 0.57843E+02 SP= -.13E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325774707367E+03 -0.29969E+00 -0.13009E-01 7712 0.246E+01 0.269E-01 RMM: 2 -0.325796907925E+03 -0.22201E-01 -0.12402E-01 4867 0.847E-01 0.129E+00 RMM: 3 -0.325784985869E+03 0.11922E-01 -0.14962E-02 5496 0.261E-01 0.277E-01 RMM: 4 -0.325784417159E+03 0.56871E-03 -0.14961E-03 4866 0.838E-02 0.109E-01 RMM: 5 -0.325784431265E+03 -0.14105E-04 -0.22826E-04 3923 0.346E-02 0.125E-01 RMM: 6 -0.325784325936E+03 0.10533E-03 -0.57789E-05 3306 0.222E-02 0.336E-02 RMM: 7 -0.325784323293E+03 0.26430E-05 -0.16481E-05 2508 0.124E-02 8697 T= 7187. E= 0.67575439E+03 F= 0.63048467E+03 E0= 0.65900876E+03 EK= 0.58527E+02 SP= -.13E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326039819850E+03 -0.25549E+00 -0.12807E-01 7824 0.247E+01 0.242E-01 RMM: 2 -0.326061197529E+03 -0.21378E-01 -0.12002E-01 4903 0.822E-01 0.128E+00 RMM: 3 -0.326049892663E+03 0.11305E-01 -0.14105E-02 5549 0.248E-01 0.233E-01 RMM: 4 -0.326049436204E+03 0.45646E-03 -0.11561E-03 4811 0.708E-02 0.943E-02 RMM: 5 -0.326049391413E+03 0.44791E-04 -0.15845E-04 3947 0.307E-02 0.795E-02 RMM: 6 -0.326049350048E+03 0.41365E-04 -0.30246E-05 2700 0.163E-02 0.440E-02 RMM: 7 -0.326049348055E+03 0.19935E-05 -0.18347E-05 2506 0.134E-02 8698 T= 7262. E= 0.67575462E+03 F= 0.63021964E+03 E0= 0.65872744E+03 EK= 0.59140E+02 SP= -.14E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326263766996E+03 -0.21442E+00 -0.13227E-01 7912 0.248E+01 0.201E-01 RMM: 2 -0.326281440592E+03 -0.17674E-01 -0.12381E-01 4854 0.828E-01 0.992E-01 RMM: 3 -0.326274366231E+03 0.70744E-02 -0.14217E-02 5753 0.234E-01 0.188E-01 RMM: 4 -0.326273995032E+03 0.37120E-03 -0.86537E-04 4987 0.620E-02 0.799E-02 RMM: 5 -0.326273958508E+03 0.36524E-04 -0.11233E-04 3829 0.276E-02 0.690E-02 RMM: 6 -0.326273933478E+03 0.25031E-04 -0.24774E-05 2574 0.149E-02 0.396E-02 RMM: 7 -0.326273935744E+03 -0.22662E-05 -0.17006E-05 2512 0.129E-02 8699 T= 7329. E= 0.67575442E+03 F= 0.62999505E+03 E0= 0.65849036E+03 EK= 0.59684E+02 SP= -.14E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326446602867E+03 -0.17267E+00 -0.13755E-01 7808 0.249E+01 0.203E-01 RMM: 2 -0.326464885296E+03 -0.18282E-01 -0.14093E-01 4751 0.886E-01 0.925E-01 RMM: 3 -0.326458874334E+03 0.60110E-02 -0.16829E-02 5909 0.245E-01 0.168E-01 RMM: 4 -0.326458486324E+03 0.38801E-03 -0.89967E-04 4891 0.671E-02 0.119E-01 RMM: 5 -0.326458405744E+03 0.80580E-04 -0.13456E-04 3821 0.314E-02 0.768E-02 RMM: 6 -0.326458370670E+03 0.35074E-04 -0.33107E-05 2778 0.172E-02 0.409E-02 RMM: 7 -0.326458369748E+03 0.92186E-06 -0.19817E-05 2524 0.140E-02 8700 T= 7387. E= 0.67575461E+03 F= 0.62981062E+03 E0= 0.65830020E+03 EK= 0.60155E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326594796232E+03 -0.13643E+00 -0.13520E-01 8024 0.250E+01 0.189E-01 RMM: 2 -0.326610098123E+03 -0.15302E-01 -0.11881E-01 4925 0.799E-01 0.850E-01 RMM: 3 -0.326604852437E+03 0.52457E-02 -0.13218E-02 5930 0.224E-01 0.153E-01 RMM: 4 -0.326604567197E+03 0.28524E-03 -0.69807E-04 5009 0.564E-02 0.964E-02 RMM: 5 -0.326604505600E+03 0.61597E-04 -0.89652E-05 3724 0.255E-02 0.684E-02 RMM: 6 -0.326604487392E+03 0.18208E-04 -0.23283E-05 2556 0.145E-02 8701 T= 7436. E= 0.67575529E+03 F= 0.62966450E+03 E0= 0.65815636E+03 EK= 0.60551E+02 SP= -.15E+02 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326702976670E+03 -0.98471E-01 -0.14565E-01 8016 0.251E+01 0.225E-01 RMM: 2 -0.326726553143E+03 -0.23576E-01 -0.14367E-01 4849 0.866E-01 0.124E+00 RMM: 3 -0.326715283790E+03 0.11269E-01 -0.16420E-02 5639 0.265E-01 0.216E-01 RMM: 4 -0.326714876101E+03 0.40769E-03 -0.11556E-03 5014 0.694E-02 0.904E-02 RMM: 5 -0.326714827561E+03 0.48541E-04 -0.13047E-04 4157 0.289E-02 0.757E-02 RMM: 6 -0.326714807458E+03 0.20102E-04 -0.24550E-05 2559 0.145E-02 0.638E-02 RMM: 7 -0.326714816610E+03 -0.91513E-05 -0.34228E-05 2781 0.175E-02 8702 T= 7475. E= 0.67575603E+03 F= 0.62955417E+03 E0= 0.65805718E+03 EK= 0.60872E+02 SP= -.15E+02 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326786285894E+03 -0.71478E-01 -0.14643E-01 8160 0.252E+01 0.262E-01 RMM: 2 -0.326808964064E+03 -0.22678E-01 -0.12844E-01 5045 0.815E-01 0.132E+00 RMM: 3 -0.326796503815E+03 0.12460E-01 -0.13822E-02 5547 0.256E-01 0.253E-01 RMM: 4 -0.326796077053E+03 0.42676E-03 -0.13943E-03 4805 0.800E-02 0.122E-01 RMM: 5 -0.326796062070E+03 0.14982E-04 -0.20172E-04 3888 0.345E-02 0.122E-01 RMM: 6 -0.326795960909E+03 0.10116E-03 -0.55319E-05 3287 0.220E-02 0.349E-02 RMM: 7 -0.326795961607E+03 -0.69773E-06 -0.17430E-05 2515 0.129E-02 8703 T= 7506. E= 0.67575709E+03 F= 0.62947303E+03 E0= 0.65799457E+03 EK= 0.61122E+02 SP= -.15E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326845612743E+03 -0.49652E-01 -0.15551E-01 8104 0.253E+01 0.205E-01 RMM: 2 -0.326866479920E+03 -0.20867E-01 -0.15234E-01 5032 0.864E-01 0.102E+00 RMM: 3 -0.326858365123E+03 0.81148E-02 -0.15177E-02 5879 0.246E-01 0.189E-01 RMM: 4 -0.326858009059E+03 0.35606E-03 -0.90215E-04 4915 0.639E-02 0.104E-01 RMM: 5 -0.326857935125E+03 0.73935E-04 -0.12122E-04 3841 0.293E-02 0.745E-02 RMM: 6 -0.326857906279E+03 0.28845E-04 -0.29027E-05 2641 0.158E-02 0.546E-02 RMM: 7 -0.326857902016E+03 0.42635E-05 -0.32462E-05 2645 0.167E-02 8704 T= 7529. E= 0.67575797E+03 F= 0.62941109E+03 E0= 0.65795662E+03 EK= 0.61308E+02 SP= -.15E+02 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326900196222E+03 -0.42290E-01 -0.16021E-01 8216 0.253E+01 0.203E-01 RMM: 2 -0.326918039218E+03 -0.17843E-01 -0.14095E-01 5102 0.827E-01 0.880E-01 RMM: 3 -0.326911644319E+03 0.63949E-02 -0.13083E-02 5955 0.233E-01 0.162E-01 RMM: 4 -0.326911367610E+03 0.27671E-03 -0.78965E-04 4906 0.597E-02 0.960E-02 RMM: 5 -0.326911324065E+03 0.43545E-04 -0.10366E-04 3758 0.272E-02 0.742E-02 RMM: 6 -0.326911293914E+03 0.30150E-04 -0.26521E-05 2610 0.157E-02 0.420E-02 RMM: 7 -0.326911299102E+03 -0.51883E-05 -0.23415E-05 2552 0.148E-02 8705 T= 7545. E= 0.67575806E+03 F= 0.62935769E+03 E0= 0.65793013E+03 EK= 0.61440E+02 SP= -.15E+02 SK= 0.46E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326952327518E+03 -0.41034E-01 -0.16649E-01 8312 0.254E+01 0.204E-01 RMM: 2 -0.326973172061E+03 -0.20845E-01 -0.16303E-01 5022 0.891E-01 0.942E-01 RMM: 3 -0.326966005134E+03 0.71669E-02 -0.15840E-02 6044 0.244E-01 0.192E-01 RMM: 4 -0.326965602974E+03 0.40216E-03 -0.87913E-04 4738 0.678E-02 0.114E-01 RMM: 5 -0.326965527705E+03 0.75270E-04 -0.13487E-04 3813 0.306E-02 0.786E-02 RMM: 6 -0.326965493015E+03 0.34689E-04 -0.31150E-05 2788 0.167E-02 0.419E-02 RMM: 7 -0.326965493434E+03 -0.41928E-06 -0.20384E-05 2519 0.140E-02 8706 T= 7555. E= 0.67575823E+03 F= 0.62930350E+03 E0= 0.65790372E+03 EK= 0.61527E+02 SP= -.15E+02 SK= 0.12E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327013710468E+03 -0.48217E-01 -0.16520E-01 8504 0.254E+01 0.186E-01 RMM: 2 -0.327032876020E+03 -0.19166E-01 -0.15885E-01 5092 0.879E-01 0.828E-01 RMM: 3 -0.327027018538E+03 0.58575E-02 -0.14630E-02 5984 0.239E-01 0.165E-01 RMM: 4 -0.327026699896E+03 0.31864E-03 -0.75661E-04 4899 0.599E-02 0.965E-02 RMM: 5 -0.327026646760E+03 0.53136E-04 -0.10320E-04 3783 0.273E-02 0.761E-02 RMM: 6 -0.327026617781E+03 0.28979E-04 -0.29113E-05 2654 0.165E-02 0.484E-02 RMM: 7 -0.327026623884E+03 -0.61032E-05 -0.35626E-05 2769 0.173E-02 8707 T= 7561. E= 0.67575835E+03 F= 0.62924237E+03 E0= 0.65786984E+03 EK= 0.61574E+02 SP= -.15E+02 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327081355272E+03 -0.54737E-01 -0.17461E-01 8344 0.254E+01 0.212E-01 RMM: 2 -0.327103633856E+03 -0.22279E-01 -0.17465E-01 4989 0.942E-01 0.977E-01 RMM: 3 -0.327096231508E+03 0.74023E-02 -0.17347E-02 6008 0.257E-01 0.208E-01 RMM: 4 -0.327095735529E+03 0.49598E-03 -0.95760E-04 4812 0.702E-02 0.103E-01 RMM: 5 -0.327095687994E+03 0.47535E-04 -0.14134E-04 3873 0.309E-02 0.826E-02 RMM: 6 -0.327095649812E+03 0.38182E-04 -0.33018E-05 2859 0.173E-02 0.400E-02 RMM: 7 -0.327095653300E+03 -0.34878E-05 -0.19393E-05 2522 0.139E-02 8708 T= 7562. E= 0.67575832E+03 F= 0.62917334E+03 E0= 0.65782698E+03 EK= 0.61581E+02 SP= -.15E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327154681847E+03 -0.59032E-01 -0.16468E-01 8312 0.254E+01 0.176E-01 RMM: 2 -0.327173331493E+03 -0.18650E-01 -0.15894E-01 5318 0.862E-01 0.777E-01 RMM: 3 -0.327167898056E+03 0.54334E-02 -0.12827E-02 6060 0.222E-01 0.150E-01 RMM: 4 -0.327167636571E+03 0.26148E-03 -0.66734E-04 4792 0.574E-02 0.106E-01 RMM: 5 -0.327167564927E+03 0.71644E-04 -0.94606E-05 3662 0.261E-02 0.720E-02 RMM: 6 -0.327167542019E+03 0.22909E-04 -0.26380E-05 2589 0.157E-02 0.488E-02 RMM: 7 -0.327167545888E+03 -0.38695E-05 -0.25705E-05 2614 0.145E-02 8709 T= 7557. E= 0.67575753E+03 F= 0.62910144E+03 E0= 0.65777947E+03 EK= 0.61543E+02 SP= -.15E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327213926820E+03 -0.46385E-01 -0.16005E-01 8352 0.254E+01 0.204E-01 RMM: 2 -0.327234878834E+03 -0.20952E-01 -0.17268E-01 5042 0.923E-01 0.877E-01 RMM: 3 -0.327228624901E+03 0.62539E-02 -0.16798E-02 6057 0.249E-01 0.186E-01 RMM: 4 -0.327228189244E+03 0.43566E-03 -0.85702E-04 4849 0.657E-02 0.106E-01 RMM: 5 -0.327228139164E+03 0.50080E-04 -0.12624E-04 3797 0.300E-02 0.825E-02 RMM: 6 -0.327228102333E+03 0.36831E-04 -0.30959E-05 2735 0.170E-02 0.412E-02 RMM: 7 -0.327228106922E+03 -0.45892E-05 -0.19382E-05 2526 0.137E-02 8710 T= 7545. E= 0.67575562E+03 F= 0.62904088E+03 E0= 0.65774309E+03 EK= 0.61446E+02 SP= -.15E+02 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327237975290E+03 -0.98730E-02 -0.16156E-01 8408 0.254E+01 0.178E-01 RMM: 2 -0.327256308653E+03 -0.18333E-01 -0.16100E-01 5192 0.884E-01 0.731E-01 RMM: 3 -0.327251561430E+03 0.47472E-02 -0.14165E-02 6117 0.226E-01 0.138E-01 RMM: 4 -0.327251282283E+03 0.27915E-03 -0.68004E-04 4788 0.594E-02 0.120E-01 RMM: 5 -0.327251195989E+03 0.86294E-04 -0.10739E-04 3709 0.290E-02 0.677E-02 RMM: 6 -0.327251173595E+03 0.22394E-04 -0.27410E-05 2638 0.158E-02 0.460E-02 RMM: 7 -0.327251173108E+03 0.48648E-06 -0.28750E-05 2604 0.160E-02 8711 T= 7523. E= 0.67575327E+03 F= 0.62901782E+03 E0= 0.65774268E+03 EK= 0.61264E+02 SP= -.15E+02 SK= 0.76E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327186806202E+03 0.64367E-01 -0.16312E-01 8208 0.254E+01 0.187E-01 RMM: 2 -0.327206814531E+03 -0.20008E-01 -0.17326E-01 4978 0.937E-01 0.771E-01 RMM: 3 -0.327201834781E+03 0.49798E-02 -0.16967E-02 6060 0.247E-01 0.155E-01 RMM: 4 -0.327201474034E+03 0.36075E-03 -0.77804E-04 4823 0.643E-02 0.116E-01 RMM: 5 -0.327201404469E+03 0.69566E-04 -0.11716E-04 3749 0.305E-02 0.779E-02 RMM: 6 -0.327201372193E+03 0.32276E-04 -0.31689E-05 2748 0.172E-02 0.411E-02 RMM: 7 -0.327201377871E+03 -0.56779E-05 -0.21981E-05 2543 0.144E-02 8712 T= 7486. E= 0.67574980E+03 F= 0.62906761E+03 E0= 0.65781510E+03 EK= 0.60965E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327019191479E+03 0.18218E+00 -0.15390E-01 8432 0.254E+01 0.178E-01 RMM: 2 -0.327036124356E+03 -0.16933E-01 -0.14538E-01 5115 0.847E-01 0.737E-01 RMM: 3 -0.327031397250E+03 0.47271E-02 -0.13371E-02 6042 0.224E-01 0.151E-01 RMM: 4 -0.327031123243E+03 0.27401E-03 -0.65615E-04 4757 0.584E-02 0.112E-01 RMM: 5 -0.327031051020E+03 0.72223E-04 -0.10411E-04 3695 0.282E-02 0.713E-02 RMM: 6 -0.327031023517E+03 0.27503E-04 -0.29131E-05 2722 0.166E-02 0.396E-02 RMM: 7 -0.327031027170E+03 -0.36527E-05 -0.22886E-05 2544 0.144E-02 8713 T= 7430. E= 0.67574627E+03 F= 0.62923796E+03 E0= 0.65800718E+03 EK= 0.60503E+02 SP= -.14E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326674051687E+03 0.35697E+00 -0.15234E-01 8432 0.253E+01 0.173E-01 RMM: 2 -0.326691701437E+03 -0.17650E-01 -0.15479E-01 5000 0.876E-01 0.710E-01 RMM: 3 -0.326687325139E+03 0.43763E-02 -0.15093E-02 6138 0.229E-01 0.150E-01 RMM: 4 -0.326687008841E+03 0.31630E-03 -0.68008E-04 4709 0.614E-02 0.119E-01 RMM: 5 -0.326686929467E+03 0.79374E-04 -0.11112E-04 3725 0.297E-02 0.726E-02 RMM: 6 -0.326686900311E+03 0.29156E-04 -0.30768E-05 2771 0.170E-02 0.376E-02 RMM: 7 -0.326686904869E+03 -0.45581E-05 -0.23457E-05 2535 0.146E-02 8714 T= 7347. E= 0.67574315E+03 F= 0.62958208E+03 E0= 0.65837266E+03 EK= 0.59830E+02 SP= -.14E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326109124935E+03 0.57778E+00 -0.14411E-01 8400 0.252E+01 0.174E-01 RMM: 2 -0.326126027474E+03 -0.16903E-01 -0.14717E-01 5072 0.853E-01 0.705E-01 RMM: 3 -0.326121692337E+03 0.43351E-02 -0.13991E-02 6033 0.222E-01 0.155E-01 RMM: 4 -0.326121396697E+03 0.29564E-03 -0.65982E-04 4720 0.596E-02 0.111E-01 RMM: 5 -0.326121323729E+03 0.72968E-04 -0.10610E-04 3697 0.282E-02 0.703E-02 RMM: 6 -0.326121296141E+03 0.27587E-04 -0.29880E-05 2757 0.168E-02 0.370E-02 RMM: 7 -0.326121299450E+03 -0.33088E-05 -0.23131E-05 2528 0.144E-02 8715 T= 7233. E= 0.67574121E+03 F= 0.63014769E+03 E0= 0.65895855E+03 EK= 0.58904E+02 SP= -.14E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325289595697E+03 0.83170E+00 -0.14436E-01 8320 0.251E+01 0.167E-01 RMM: 2 -0.325305721280E+03 -0.16126E-01 -0.14269E-01 5085 0.825E-01 0.676E-01 RMM: 3 -0.325301733135E+03 0.39881E-02 -0.13320E-02 6092 0.213E-01 0.139E-01 RMM: 4 -0.325301480247E+03 0.25289E-03 -0.62024E-04 4706 0.581E-02 0.122E-01 RMM: 5 -0.325301388165E+03 0.92082E-04 -0.10030E-04 3639 0.276E-02 0.653E-02 RMM: 6 -0.325301366213E+03 0.21952E-04 -0.26829E-05 2624 0.158E-02 0.377E-02 RMM: 7 -0.325301370058E+03 -0.38451E-05 -0.23439E-05 2526 0.145E-02 8716 T= 7086. E= 0.67574106E+03 F= 0.63096762E+03 E0= 0.65979715E+03 EK= 0.57702E+02 SP= -.13E+02 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324209781562E+03 0.10916E+01 -0.13960E-01 8272 0.248E+01 0.169E-01 RMM: 2 -0.324224318474E+03 -0.14537E-01 -0.12688E-01 5232 0.770E-01 0.669E-01 RMM: 3 -0.324220225771E+03 0.40927E-02 -0.10850E-02 6013 0.200E-01 0.145E-01 RMM: 4 -0.324220029691E+03 0.19608E-03 -0.56430E-04 4670 0.537E-02 0.117E-01 RMM: 5 -0.324219939084E+03 0.90607E-04 -0.89891E-05 3563 0.252E-02 0.636E-02 RMM: 6 -0.324219918738E+03 0.20345E-04 -0.24942E-05 2595 0.154E-02 0.377E-02 RMM: 7 -0.324219922373E+03 -0.36349E-05 -0.23366E-05 2537 0.141E-02 8717 T= 6904. E= 0.67574337E+03 F= 0.63204907E+03 E0= 0.66089456E+03 EK= 0.56225E+02 SP= -.13E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322893669801E+03 0.13262E+01 -0.13354E-01 8256 0.245E+01 0.172E-01 RMM: 2 -0.322908247020E+03 -0.14577E-01 -0.12452E-01 5358 0.744E-01 0.715E-01 RMM: 3 -0.322903683647E+03 0.45634E-02 -0.99301E-03 6086 0.189E-01 0.146E-01 RMM: 4 -0.322903486595E+03 0.19705E-03 -0.56064E-04 4628 0.538E-02 0.122E-01 RMM: 5 -0.322903393269E+03 0.93326E-04 -0.91279E-05 3587 0.255E-02 0.659E-02 RMM: 6 -0.322903370970E+03 0.22299E-04 -0.23792E-05 2602 0.152E-02 0.383E-02 RMM: 7 -0.322903374733E+03 -0.37628E-05 -0.21176E-05 2520 0.136E-02 8718 T= 6694. E= 0.67574784E+03 F= 0.63336561E+03 E0= 0.66222291E+03 EK= 0.54510E+02 SP= -.12E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321400452890E+03 0.15029E+01 -0.12933E-01 8328 0.241E+01 0.168E-01 RMM: 2 -0.321414872864E+03 -0.14420E-01 -0.12575E-01 5161 0.762E-01 0.672E-01 RMM: 3 -0.321410838633E+03 0.40342E-02 -0.11304E-02 6053 0.201E-01 0.144E-01 RMM: 4 -0.321410616575E+03 0.22206E-03 -0.56336E-04 4653 0.534E-02 0.117E-01 RMM: 5 -0.321410525114E+03 0.91461E-04 -0.86922E-05 3547 0.249E-02 0.619E-02 RMM: 6 -0.321410506732E+03 0.18382E-04 -0.23471E-05 2568 0.149E-02 8719 T= 6462. E= 0.67575417E+03 F= 0.63485848E+03 E0= 0.66372239E+03 EK= 0.52627E+02 SP= -.12E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319818687749E+03 0.15918E+01 -0.12558E-01 8256 0.237E+01 0.192E-01 RMM: 2 -0.319835819094E+03 -0.17131E-01 -0.11989E-01 5294 0.735E-01 0.967E-01 RMM: 3 -0.319828431168E+03 0.73879E-02 -0.10508E-02 5719 0.208E-01 0.210E-01 RMM: 4 -0.319828064914E+03 0.36625E-03 -0.76237E-04 4743 0.582E-02 0.836E-02 RMM: 5 -0.319828020344E+03 0.44570E-04 -0.93747E-05 3856 0.236E-02 0.716E-02 RMM: 6 -0.319827999465E+03 0.20879E-04 -0.22472E-05 2562 0.144E-02 0.569E-02 RMM: 7 -0.319828008611E+03 -0.91460E-05 -0.33637E-05 2706 0.170E-02 8720 T= 6222. E= 0.67576171E+03 F= 0.63644098E+03 E0= 0.66530487E+03 EK= 0.50670E+02 SP= -.12E+02 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318254801371E+03 0.15732E+01 -0.11849E-01 8112 0.234E+01 0.244E-01 RMM: 2 -0.318275230638E+03 -0.20429E-01 -0.11651E-01 5131 0.756E-01 0.124E+00 RMM: 3 -0.318264111146E+03 0.11119E-01 -0.12261E-02 5666 0.228E-01 0.225E-01 RMM: 4 -0.318263725311E+03 0.38583E-03 -0.11289E-03 4682 0.741E-02 0.123E-01 RMM: 5 -0.318263695489E+03 0.29823E-04 -0.16625E-04 3864 0.316E-02 0.111E-01 RMM: 6 -0.318263613798E+03 0.81691E-04 -0.43568E-05 3116 0.202E-02 0.312E-02 RMM: 7 -0.318263614125E+03 -0.32744E-06 -0.15367E-05 2506 0.121E-02 8721 T= 5987. E= 0.67576996E+03 F= 0.63800538E+03 E0= 0.66686248E+03 EK= 0.48756E+02 SP= -.11E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316825160857E+03 0.14385E+01 -0.11721E-01 8000 0.230E+01 0.203E-01 RMM: 2 -0.316842844635E+03 -0.17684E-01 -0.12276E-01 5229 0.754E-01 0.101E+00 RMM: 3 -0.316835248544E+03 0.75961E-02 -0.11917E-02 5842 0.213E-01 0.196E-01 RMM: 4 -0.316834871254E+03 0.37729E-03 -0.79803E-04 4785 0.599E-02 0.101E-01 RMM: 5 -0.316834802318E+03 0.68935E-04 -0.11203E-04 3774 0.266E-02 0.765E-02 RMM: 6 -0.316834768634E+03 0.33684E-04 -0.27907E-05 2684 0.161E-02 0.494E-02 RMM: 7 -0.316834766417E+03 0.22178E-05 -0.26529E-05 2593 0.143E-02 8722 T= 5773. E= 0.67577841E+03 F= 0.63943422E+03 E0= 0.66827891E+03 EK= 0.47009E+02 SP= -.11E+02 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315651637689E+03 0.11831E+01 -0.11295E-01 8152 0.226E+01 0.176E-01 RMM: 2 -0.315666262590E+03 -0.14625E-01 -0.11419E-01 5147 0.732E-01 0.806E-01 RMM: 3 -0.315661111111E+03 0.51515E-02 -0.11154E-02 5972 0.199E-01 0.153E-01 RMM: 4 -0.315660843925E+03 0.26719E-03 -0.63172E-04 4706 0.547E-02 0.105E-01 RMM: 5 -0.315660779188E+03 0.64738E-04 -0.91854E-05 3605 0.256E-02 0.675E-02 RMM: 6 -0.315660755579E+03 0.23609E-04 -0.23521E-05 2573 0.147E-02 0.413E-02 RMM: 7 -0.315660758023E+03 -0.24443E-05 -0.19945E-05 2571 0.130E-02 8723 T= 5594. E= 0.67578586E+03 F= 0.64060823E+03 E0= 0.66943579E+03 EK= 0.45552E+02 SP= -.11E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314844295083E+03 0.81646E+00 -0.11060E-01 7888 0.224E+01 0.181E-01 RMM: 2 -0.314858539998E+03 -0.14245E-01 -0.11402E-01 5183 0.739E-01 0.783E-01 RMM: 3 -0.314853906187E+03 0.46338E-02 -0.11515E-02 6044 0.194E-01 0.164E-01 RMM: 4 -0.314853588700E+03 0.31749E-03 -0.63071E-04 4604 0.576E-02 0.124E-01 RMM: 5 -0.314853491160E+03 0.97540E-04 -0.10611E-04 3693 0.272E-02 0.768E-02 RMM: 6 -0.314853458842E+03 0.32318E-04 -0.27928E-05 2727 0.164E-02 0.464E-02 RMM: 7 -0.314853455438E+03 0.34044E-05 -0.21574E-05 2571 0.131E-02 8724 T= 5464. E= 0.67579189E+03 F= 0.64141553E+03 E0= 0.67022525E+03 EK= 0.44496E+02 SP= -.10E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314499489279E+03 0.35397E+00 -0.10585E-01 7888 0.222E+01 0.190E-01 RMM: 2 -0.314513144618E+03 -0.13655E-01 -0.10299E-01 5229 0.708E-01 0.832E-01 RMM: 3 -0.314507983712E+03 0.51609E-02 -0.10256E-02 5928 0.193E-01 0.159E-01 RMM: 4 -0.314507727051E+03 0.25666E-03 -0.63131E-04 4755 0.535E-02 0.109E-01 RMM: 5 -0.314507657540E+03 0.69511E-04 -0.89797E-05 3603 0.248E-02 0.720E-02 RMM: 6 -0.314507631687E+03 0.25853E-04 -0.24936E-05 2624 0.153E-02 0.477E-02 RMM: 7 -0.314507633879E+03 -0.21929E-05 -0.29825E-05 2632 0.155E-02 8725 T= 5396. E= 0.67579610E+03 F= 0.64176136E+03 E0= 0.67055464E+03 EK= 0.43939E+02 SP= -.10E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314682188542E+03 -0.17456E+00 -0.10067E-01 7744 0.221E+01 0.190E-01 RMM: 2 -0.314696135309E+03 -0.13947E-01 -0.10774E-01 5029 0.749E-01 0.817E-01 RMM: 3 -0.314691390701E+03 0.47446E-02 -0.12301E-02 5962 0.202E-01 0.162E-01 RMM: 4 -0.314691072464E+03 0.31824E-03 -0.69031E-04 4703 0.596E-02 0.121E-01 RMM: 5 -0.314690991289E+03 0.81175E-04 -0.10944E-04 3715 0.273E-02 0.757E-02 RMM: 6 -0.314690958801E+03 0.32488E-04 -0.27661E-05 2713 0.163E-02 0.396E-02 RMM: 7 -0.314690958576E+03 0.22553E-06 -0.15535E-05 2510 0.119E-02 8726 T= 5396. E= 0.67579749E+03 F= 0.64157803E+03 E0= 0.67036014E+03 EK= 0.43944E+02 SP= -.98E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315421604167E+03 -0.73065E+00 -0.98786E-02 7808 0.222E+01 0.195E-01 RMM: 2 -0.315435493580E+03 -0.13889E-01 -0.98205E-02 5024 0.729E-01 0.897E-01 RMM: 3 -0.315429835594E+03 0.56580E-02 -0.11075E-02 5760 0.204E-01 0.165E-01 RMM: 4 -0.315429552493E+03 0.28310E-03 -0.70137E-04 4845 0.556E-02 0.976E-02 RMM: 5 -0.315429506365E+03 0.46127E-04 -0.97273E-05 3668 0.262E-02 0.723E-02 RMM: 6 -0.315429474732E+03 0.31633E-04 -0.26148E-05 2650 0.155E-02 0.398E-02 RMM: 7 -0.315429475260E+03 -0.52849E-06 -0.20831E-05 2531 0.139E-02 8727 T= 5469. E= 0.67579526E+03 F= 0.64083951E+03 E0= 0.66961678E+03 EK= 0.44534E+02 SP= -.96E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316687543234E+03 -0.12581E+01 -0.95013E-02 7608 0.224E+01 0.193E-01 RMM: 2 -0.316700886717E+03 -0.13343E-01 -0.95366E-02 4907 0.737E-01 0.875E-01 RMM: 3 -0.316695583108E+03 0.53036E-02 -0.11243E-02 5775 0.204E-01 0.159E-01 RMM: 4 -0.316695312139E+03 0.27097E-03 -0.69773E-04 4761 0.573E-02 0.988E-02 RMM: 5 -0.316695270214E+03 0.41925E-04 -0.10704E-04 3706 0.274E-02 0.730E-02 RMM: 6 -0.316695236034E+03 0.34180E-04 -0.27693E-05 2701 0.161E-02 0.320E-02 RMM: 7 -0.316695235982E+03 0.51932E-07 -0.13071E-05 2484 0.115E-02 8728 T= 5609. E= 0.67578889E+03 F= 0.63957375E+03 E0= 0.66835380E+03 EK= 0.45679E+02 SP= -.95E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318392437973E+03 -0.16972E+01 -0.10237E-01 7704 0.228E+01 0.175E-01 RMM: 2 -0.318404595226E+03 -0.12157E-01 -0.94407E-02 4967 0.723E-01 0.773E-01 RMM: 3 -0.318400499610E+03 0.40956E-02 -0.10743E-02 5818 0.194E-01 0.141E-01 RMM: 4 -0.318400262083E+03 0.23753E-03 -0.59027E-04 4695 0.530E-02 0.102E-01 RMM: 5 -0.318400199081E+03 0.63002E-04 -0.88705E-05 3606 0.260E-02 0.636E-02 RMM: 6 -0.318400175141E+03 0.23940E-04 -0.23754E-05 2560 0.146E-02 0.381E-02 RMM: 7 -0.318400170716E+03 0.44251E-05 -0.20696E-05 2509 0.141E-02 8729 T= 5807. E= 0.67577881E+03 F= 0.63786882E+03 E0= 0.66665792E+03 EK= 0.47286E+02 SP= -.94E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320398079145E+03 -0.19979E+01 -0.11520E-01 7864 0.233E+01 0.168E-01 RMM: 2 -0.320411894055E+03 -0.13815E-01 -0.11365E-01 4960 0.786E-01 0.743E-01 RMM: 3 -0.320408023208E+03 0.38708E-02 -0.12935E-02 5958 0.201E-01 0.144E-01 RMM: 4 -0.320407706553E+03 0.31665E-03 -0.63458E-04 4681 0.578E-02 0.105E-01 RMM: 5 -0.320407632173E+03 0.74380E-04 -0.98243E-05 3679 0.272E-02 0.621E-02 RMM: 6 -0.320407614220E+03 0.17954E-04 -0.23310E-05 2557 0.143E-02 8730 T= 6043. E= 0.67576686E+03 F= 0.63586138E+03 E0= 0.66466397E+03 EK= 0.49214E+02 SP= -.93E+01 SK= 0.86E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.322544460982E+03 -0.21368E+01 -0.12051E-01 8064 0.238E+01 0.206E-01 RMM: 2 -0.322561955206E+03 -0.17494E-01 -0.11060E-01 5106 0.756E-01 0.108E+00 RMM: 3 -0.322553846010E+03 0.81092E-02 -0.11880E-02 5603 0.217E-01 0.205E-01 RMM: 4 -0.322553478072E+03 0.36794E-03 -0.87968E-04 4798 0.617E-02 0.991E-02 RMM: 5 -0.322553411311E+03 0.66761E-04 -0.11312E-04 3858 0.274E-02 0.733E-02 RMM: 6 -0.322553391813E+03 0.19498E-04 -0.24035E-05 2559 0.144E-02 8731 T= 6299. E= 0.67575506E+03 F= 0.63371560E+03 E0= 0.66253271E+03 EK= 0.51295E+02 SP= -.93E+01 SK= 0.56E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324663874573E+03 -0.21105E+01 -0.12807E-01 7904 0.244E+01 0.316E-01 RMM: 2 -0.324698021893E+03 -0.34147E-01 -0.13188E-01 5030 0.846E-01 0.185E+00 RMM: 3 -0.324674421289E+03 0.23601E-01 -0.17300E-02 5404 0.298E-01 0.299E-01 RMM: 4 -0.324673757428E+03 0.66386E-03 -0.18305E-03 4935 0.846E-02 0.105E-01 RMM: 5 -0.324673694470E+03 0.62958E-04 -0.19671E-04 4021 0.332E-02 0.960E-02 RMM: 6 -0.324673649541E+03 0.44929E-04 -0.34665E-05 2713 0.177E-02 0.669E-02 RMM: 7 -0.324673654517E+03 -0.49762E-05 -0.38850E-05 2943 0.183E-02 8732 T= 6552. E= 0.67574418E+03 F= 0.63159533E+03 E0= 0.66042513E+03 EK= 0.53356E+02 SP= -.92E+01 SK= 0.50E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326622848628E+03 -0.19492E+01 -0.13314E-01 8152 0.248E+01 0.274E-01 RMM: 2 -0.326646491093E+03 -0.23642E-01 -0.11732E-01 5198 0.763E-01 0.143E+00 RMM: 3 -0.326632177702E+03 0.14313E-01 -0.12672E-02 5417 0.248E-01 0.287E-01 RMM: 4 -0.326631668023E+03 0.50968E-03 -0.15632E-03 4735 0.848E-02 0.144E-01 RMM: 5 -0.326631604423E+03 0.63600E-04 -0.24259E-04 3883 0.396E-02 0.124E-01 RMM: 6 -0.326631502609E+03 0.10181E-03 -0.63539E-05 3430 0.233E-02 0.422E-02 RMM: 7 -0.326631505537E+03 -0.29276E-05 -0.24520E-05 2598 0.150E-02 8733 T= 6785. E= 0.67573626E+03 F= 0.62963748E+03 E0= 0.65847443E+03 EK= 0.55253E+02 SP= -.92E+01 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328321782779E+03 -0.16903E+01 -0.14222E-01 8176 0.251E+01 0.224E-01 RMM: 2 -0.328342034730E+03 -0.20252E-01 -0.12908E-01 5137 0.787E-01 0.115E+00 RMM: 3 -0.328332540312E+03 0.94944E-02 -0.13900E-02 5598 0.237E-01 0.193E-01 RMM: 4 -0.328332235280E+03 0.30503E-03 -0.10165E-03 4885 0.647E-02 0.115E-01 RMM: 5 -0.328332140419E+03 0.94861E-04 -0.13460E-04 3825 0.291E-02 0.838E-02 RMM: 6 -0.328332107011E+03 0.33409E-04 -0.31752E-05 2740 0.167E-02 0.640E-02 RMM: 7 -0.328332102757E+03 0.42534E-05 -0.42859E-05 2946 0.183E-02 8734 T= 6985. E= 0.67573149E+03 F= 0.62793689E+03 E0= 0.65677166E+03 EK= 0.56884E+02 SP= -.91E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329715599267E+03 -0.13835E+01 -0.15682E-01 8064 0.254E+01 0.185E-01 RMM: 2 -0.329734732991E+03 -0.19134E-01 -0.15897E-01 5086 0.855E-01 0.825E-01 RMM: 3 -0.329729485792E+03 0.52472E-02 -0.17026E-02 6092 0.227E-01 0.158E-01 RMM: 4 -0.329729103292E+03 0.38250E-03 -0.81311E-04 4733 0.632E-02 0.118E-01 RMM: 5 -0.329729013926E+03 0.89366E-04 -0.12316E-04 3717 0.280E-02 0.707E-02 RMM: 6 -0.329728991362E+03 0.22565E-04 -0.29735E-05 2689 0.161E-02 0.538E-02 RMM: 7 -0.329728995049E+03 -0.36878E-05 -0.43728E-05 2927 0.185E-02 8735 T= 7146. E= 0.67572945E+03 F= 0.62653999E+03 E0= 0.65536370E+03 EK= 0.58191E+02 SP= -.90E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330803723917E+03 -0.10747E+01 -0.18187E-01 8032 0.255E+01 0.183E-01 RMM: 2 -0.330825092872E+03 -0.21369E-01 -0.19770E-01 5029 0.967E-01 0.667E-01 RMM: 3 -0.330821089124E+03 0.40037E-02 -0.19653E-02 6281 0.240E-01 0.130E-01 RMM: 4 -0.330820753087E+03 0.33604E-03 -0.81792E-04 4790 0.670E-02 0.150E-01 RMM: 5 -0.330820596463E+03 0.15662E-03 -0.13206E-04 3774 0.303E-02 0.707E-02 RMM: 6 -0.330820573278E+03 0.23186E-04 -0.33588E-05 2857 0.172E-02 0.487E-02 RMM: 7 -0.330820568932E+03 0.43452E-05 -0.41665E-05 2707 0.178E-02 8736 T= 7266. E= 0.67572979E+03 F= 0.62544842E+03 E0= 0.65425234E+03 EK= 0.59166E+02 SP= -.89E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331621389327E+03 -0.80082E+00 -0.17719E-01 8280 0.255E+01 0.197E-01 RMM: 2 -0.331642418637E+03 -0.21029E-01 -0.17596E-01 5140 0.896E-01 0.847E-01 RMM: 3 -0.331636544858E+03 0.58738E-02 -0.16007E-02 6139 0.229E-01 0.178E-01 RMM: 4 -0.331636132766E+03 0.41209E-03 -0.78096E-04 4724 0.640E-02 0.117E-01 RMM: 5 -0.331636045056E+03 0.87711E-04 -0.12049E-04 3749 0.283E-02 0.779E-02 RMM: 6 -0.331636017520E+03 0.27536E-04 -0.34943E-05 2896 0.177E-02 0.547E-02 RMM: 7 -0.331636036267E+03 -0.18748E-04 -0.58703E-05 3337 0.201E-02 8737 T= 7347. E= 0.67573151E+03 F= 0.62463295E+03 E0= 0.65341019E+03 EK= 0.59832E+02 SP= -.88E+01 SK= 0.46E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332203947136E+03 -0.56793E+00 -0.18025E-01 8464 0.254E+01 0.201E-01 RMM: 2 -0.332223737189E+03 -0.19790E-01 -0.17042E-01 5219 0.875E-01 0.782E-01 RMM: 3 -0.332218399811E+03 0.53374E-02 -0.14585E-02 6127 0.226E-01 0.157E-01 RMM: 4 -0.332218155183E+03 0.24463E-03 -0.76625E-04 4727 0.625E-02 0.143E-01 RMM: 5 -0.332218024361E+03 0.13082E-03 -0.12540E-04 3756 0.289E-02 0.746E-02 RMM: 6 -0.332217996709E+03 0.27652E-04 -0.32718E-05 2890 0.173E-02 0.421E-02 RMM: 7 -0.332218007966E+03 -0.11257E-04 -0.29140E-05 2606 0.159E-02 8738 T= 7396. E= 0.67573333E+03 F= 0.62405098E+03 E0= 0.65279746E+03 EK= 0.60227E+02 SP= -.86E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332587990498E+03 -0.36999E+00 -0.18025E-01 8512 0.254E+01 0.188E-01 RMM: 2 -0.332608144293E+03 -0.20154E-01 -0.17898E-01 5318 0.874E-01 0.724E-01 RMM: 3 -0.332602952489E+03 0.51918E-02 -0.13712E-02 6120 0.219E-01 0.145E-01 RMM: 4 -0.332602711953E+03 0.24054E-03 -0.70966E-04 4706 0.597E-02 0.132E-01 RMM: 5 -0.332602603193E+03 0.10876E-03 -0.11573E-04 3737 0.287E-02 0.757E-02 RMM: 6 -0.332602577130E+03 0.26062E-04 -0.34480E-05 2906 0.175E-02 0.533E-02 RMM: 7 -0.332602591587E+03 -0.14457E-04 -0.57530E-05 3332 0.201E-02 8739 T= 7415. E= 0.67573434E+03 F= 0.62366640E+03 E0= 0.65238104E+03 EK= 0.60384E+02 SP= -.84E+01 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332794100214E+03 -0.19152E+00 -0.18351E-01 8792 0.253E+01 0.205E-01 RMM: 2 -0.332813977620E+03 -0.19877E-01 -0.17020E-01 5402 0.837E-01 0.798E-01 RMM: 3 -0.332807809928E+03 0.61677E-02 -0.11488E-02 6033 0.215E-01 0.156E-01 RMM: 4 -0.332807649919E+03 0.16001E-03 -0.76326E-04 4755 0.596E-02 0.143E-01 RMM: 5 -0.332807529223E+03 0.12070E-03 -0.12053E-04 3784 0.286E-02 0.820E-02 RMM: 6 -0.332807496371E+03 0.32852E-04 -0.34654E-05 2958 0.178E-02 0.481E-02 RMM: 7 -0.332807510824E+03 -0.14453E-04 -0.38238E-05 2788 0.178E-02 8740 T= 7407. E= 0.67573370E+03 F= 0.62346148E+03 E0= 0.65214589E+03 EK= 0.60319E+02 SP= -.82E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332813163540E+03 -0.56672E-02 -0.20056E-01 8976 0.253E+01 0.194E-01 RMM: 2 -0.332834981268E+03 -0.21818E-01 -0.18790E-01 5497 0.863E-01 0.797E-01 RMM: 3 -0.332828370210E+03 0.66111E-02 -0.11895E-02 5777 0.221E-01 0.164E-01 RMM: 4 -0.332828189110E+03 0.18110E-03 -0.87169E-04 4805 0.630E-02 0.140E-01 RMM: 5 -0.332828072170E+03 0.11694E-03 -0.13403E-04 3844 0.301E-02 0.815E-02 RMM: 6 -0.332828042827E+03 0.29343E-04 -0.37167E-05 2982 0.182E-02 0.557E-02 RMM: 7 -0.332828057836E+03 -0.15009E-04 -0.41470E-05 2869 0.181E-02 8741 T= 7372. E= 0.67573247E+03 F= 0.62344093E+03 E0= 0.65209875E+03 EK= 0.60030E+02 SP= -.79E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332631920312E+03 0.19612E+00 -0.21945E-01 8904 0.252E+01 0.198E-01 RMM: 2 -0.332653912228E+03 -0.21992E-01 -0.19427E-01 5632 0.875E-01 0.764E-01 RMM: 3 -0.332647731702E+03 0.61805E-02 -0.11776E-02 5854 0.220E-01 0.169E-01 RMM: 4 -0.332647542642E+03 0.18906E-03 -0.83422E-04 4825 0.609E-02 0.139E-01 RMM: 5 -0.332647426450E+03 0.11619E-03 -0.12505E-04 3834 0.293E-02 0.829E-02 RMM: 6 -0.332647399839E+03 0.26611E-04 -0.35958E-05 2976 0.179E-02 0.591E-02 RMM: 7 -0.332647409344E+03 -0.95058E-05 -0.56052E-05 3261 0.200E-02 8742 T= 7307. E= 0.67573132E+03 F= 0.62362158E+03 E0= 0.65225705E+03 EK= 0.59505E+02 SP= -.76E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332232700379E+03 0.41470E+00 -0.24710E-01 8960 0.252E+01 0.195E-01 RMM: 2 -0.332257344267E+03 -0.24644E-01 -0.21196E-01 5587 0.936E-01 0.834E-01 RMM: 3 -0.332250524907E+03 0.68194E-02 -0.13631E-02 5781 0.232E-01 0.166E-01 RMM: 4 -0.332250298125E+03 0.22678E-03 -0.91007E-04 4815 0.662E-02 0.145E-01 RMM: 5 -0.332250177878E+03 0.12025E-03 -0.14816E-04 3872 0.320E-02 0.837E-02 RMM: 6 -0.332250152727E+03 0.25151E-04 -0.38514E-05 2992 0.184E-02 0.617E-02 RMM: 7 -0.332250168473E+03 -0.15746E-04 -0.41304E-05 2847 0.180E-02 8743 T= 7212. E= 0.67573134E+03 F= 0.62401882E+03 E0= 0.65263629E+03 EK= 0.58734E+02 SP= -.73E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331619833716E+03 0.63032E+00 -0.25388E-01 8832 0.250E+01 0.187E-01 RMM: 2 -0.331641919018E+03 -0.22085E-01 -0.19777E-01 5899 0.885E-01 0.732E-01 RMM: 3 -0.331636495918E+03 0.54231E-02 -0.10534E-02 5750 0.209E-01 0.171E-01 RMM: 4 -0.331636300399E+03 0.19552E-03 -0.74946E-04 4844 0.574E-02 0.128E-01 RMM: 5 -0.331636206059E+03 0.94340E-04 -0.11110E-04 3795 0.278E-02 0.803E-02 RMM: 6 -0.331636188003E+03 0.18056E-04 -0.33967E-05 2927 0.173E-02 8744 T= 7088. E= 0.67573356E+03 F= 0.62463280E+03 E0= 0.65323515E+03 EK= 0.57724E+02 SP= -.69E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330815504905E+03 0.82070E+00 -0.26059E-01 8728 0.249E+01 0.257E-01 RMM: 2 -0.330843702590E+03 -0.28198E-01 -0.19689E-01 5791 0.882E-01 0.123E+00 RMM: 3 -0.330831709990E+03 0.11993E-01 -0.12804E-02 5464 0.248E-01 0.225E-01 RMM: 4 -0.330831343963E+03 0.36603E-03 -0.12011E-03 5001 0.678E-02 0.104E-01 RMM: 5 -0.330831304202E+03 0.39761E-04 -0.13316E-04 3975 0.286E-02 0.893E-02 RMM: 6 -0.330831277153E+03 0.27049E-04 -0.34476E-05 2889 0.175E-02 0.670E-02 RMM: 7 -0.330831324322E+03 -0.47169E-04 -0.62812E-05 3434 0.210E-02 0.103E-01 RMM: 8 -0.330831271571E+03 0.52751E-04 -0.93786E-05 3865 0.229E-02 0.407E-02 RMM: 9 -0.330831265579E+03 0.59927E-05 -0.17301E-05 2554 0.118E-02 8745 T= 6939. E= 0.67573719E+03 F= 0.62543772E+03 E0= 0.65402798E+03 EK= 0.56507E+02 SP= -.65E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329873994840E+03 0.95728E+00 -0.25283E-01 8640 0.246E+01 0.243E-01 RMM: 2 -0.329898676934E+03 -0.24682E-01 -0.18330E-01 5931 0.838E-01 0.108E+00 RMM: 3 -0.329889042157E+03 0.96348E-02 -0.10056E-02 5413 0.224E-01 0.238E-01 RMM: 4 -0.329888751369E+03 0.29079E-03 -0.11991E-03 4718 0.742E-02 0.151E-01 RMM: 5 -0.329888663642E+03 0.87727E-04 -0.18792E-04 3884 0.345E-02 0.111E-01 RMM: 6 -0.329888590985E+03 0.72657E-04 -0.52774E-05 3241 0.216E-02 0.455E-02 RMM: 7 -0.329888612376E+03 -0.21391E-04 -0.33007E-05 2775 0.164E-02 0.722E-02 RMM: 8 -0.329888591316E+03 0.21060E-04 -0.48384E-05 2972 0.192E-02 0.348E-02 RMM: 9 -0.329888586711E+03 0.46045E-05 -0.14451E-05 2473 0.109E-02 8746 T= 6772. E= 0.67574274E+03 F= 0.62638040E+03 E0= 0.65495957E+03 EK= 0.55147E+02 SP= -.61E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328871609257E+03 0.10170E+01 -0.23264E-01 8520 0.243E+01 0.205E-01 RMM: 2 -0.328894495184E+03 -0.22886E-01 -0.16812E-01 6125 0.808E-01 0.104E+00 RMM: 3 -0.328885521794E+03 0.89734E-02 -0.77434E-03 5508 0.192E-01 0.195E-01 RMM: 4 -0.328885289310E+03 0.23248E-03 -0.81718E-04 4798 0.587E-02 0.105E-01 RMM: 5 -0.328885229795E+03 0.59515E-04 -0.10418E-04 3765 0.247E-02 0.790E-02 RMM: 6 -0.328885200408E+03 0.29387E-04 -0.24949E-05 2648 0.153E-02 0.526E-02 RMM: 7 -0.328885211396E+03 -0.10987E-04 -0.43920E-05 3037 0.181E-02 8747 T= 6597. E= 0.67574939E+03 F= 0.62738378E+03 E0= 0.65595375E+03 EK= 0.53726E+02 SP= -.57E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327897732221E+03 0.98747E+00 -0.20444E-01 8704 0.240E+01 0.178E-01 RMM: 2 -0.327916789311E+03 -0.19057E-01 -0.15988E-01 5942 0.804E-01 0.779E-01 RMM: 3 -0.327911120216E+03 0.56691E-02 -0.81914E-03 5721 0.187E-01 0.162E-01 RMM: 4 -0.327910939004E+03 0.18121E-03 -0.65004E-04 4790 0.528E-02 0.103E-01 RMM: 5 -0.327910882154E+03 0.56850E-04 -0.81588E-05 3548 0.225E-02 0.766E-02 RMM: 6 -0.327910862541E+03 0.19613E-04 -0.23577E-05 2564 0.149E-02 8748 T= 6428. E= 0.67575606E+03 F= 0.62835813E+03 E0= 0.65692149E+03 EK= 0.52342E+02 SP= -.53E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327041202002E+03 0.86968E+00 -0.17835E-01 8856 0.237E+01 0.259E-01 RMM: 2 -0.327068071163E+03 -0.26869E-01 -0.15816E-01 5511 0.836E-01 0.138E+00 RMM: 3 -0.327054267032E+03 0.13804E-01 -0.13060E-02 5405 0.253E-01 0.239E-01 RMM: 4 -0.327053889335E+03 0.37770E-03 -0.13042E-03 5032 0.689E-02 0.103E-01 RMM: 5 -0.327053835682E+03 0.53653E-04 -0.12186E-04 3916 0.281E-02 0.895E-02 RMM: 6 -0.327053809183E+03 0.26498E-04 -0.30483E-05 2682 0.163E-02 0.732E-02 RMM: 7 -0.327053846775E+03 -0.37591E-04 -0.68341E-05 3519 0.221E-02 0.106E-01 RMM: 8 -0.327053787395E+03 0.59379E-04 -0.11805E-04 3888 0.243E-02 0.500E-02 RMM: 9 -0.327053775099E+03 0.12296E-04 -0.22344E-05 2603 0.133E-02 8749 T= 6273. E= 0.67576176E+03 F= 0.62921521E+03 E0= 0.65777395E+03 EK= 0.51087E+02 SP= -.49E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326377014875E+03 0.67677E+00 -0.14704E-01 8568 0.234E+01 0.317E-01 RMM: 2 -0.326406053284E+03 -0.29038E-01 -0.13429E-01 5335 0.799E-01 0.162E+00 RMM: 3 -0.326387539520E+03 0.18514E-01 -0.13394E-02 5394 0.264E-01 0.282E-01 RMM: 4 -0.326387107536E+03 0.43198E-03 -0.17061E-03 4808 0.887E-02 0.168E-01 RMM: 5 -0.326387104048E+03 0.34884E-05 -0.28186E-04 3898 0.413E-02 0.170E-01 RMM: 6 -0.326386909943E+03 0.19410E-03 -0.10542E-04 3730 0.298E-02 0.382E-02 RMM: 7 -0.326386918228E+03 -0.82850E-05 -0.26558E-05 2653 0.150E-02 8750 T= 6145. E= 0.67576571E+03 F= 0.62988207E+03 E0= 0.65843856E+03 EK= 0.50038E+02 SP= -.45E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325944585462E+03 0.44232E+00 -0.13135E-01 8224 0.232E+01 0.179E-01 RMM: 2 -0.325961123420E+03 -0.16538E-01 -0.12355E-01 5271 0.761E-01 0.878E-01 RMM: 3 -0.325955072505E+03 0.60509E-02 -0.10719E-02 5669 0.205E-01 0.178E-01 RMM: 4 -0.325954781409E+03 0.29110E-03 -0.71827E-04 4828 0.562E-02 0.763E-02 RMM: 5 -0.325954750717E+03 0.30692E-04 -0.83627E-05 3768 0.232E-02 0.664E-02 RMM: 6 -0.325954733423E+03 0.17294E-04 -0.21992E-05 2552 0.141E-02 8751 T= 6047. E= 0.67576757E+03 F= 0.63031426E+03 E0= 0.65886970E+03 EK= 0.49241E+02 SP= -.41E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325760827955E+03 0.19392E+00 -0.12031E-01 7992 0.231E+01 0.264E-01 RMM: 2 -0.325783590583E+03 -0.22763E-01 -0.10173E-01 5108 0.729E-01 0.144E+00 RMM: 3 -0.325769034002E+03 0.14557E-01 -0.11840E-02 5392 0.249E-01 0.260E-01 RMM: 4 -0.325768565462E+03 0.46854E-03 -0.12012E-03 4753 0.702E-02 0.846E-02 RMM: 5 -0.325768536018E+03 0.29444E-04 -0.13635E-04 3883 0.295E-02 0.858E-02 RMM: 6 -0.325768497072E+03 0.38946E-04 -0.30826E-05 2752 0.167E-02 0.515E-02 RMM: 7 -0.325768510121E+03 -0.13050E-04 -0.29325E-05 2646 0.164E-02 8752 T= 5981. E= 0.67576699E+03 F= 0.63050048E+03 E0= 0.65905491E+03 EK= 0.48709E+02 SP= -.37E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325803468731E+03 -0.34972E-01 -0.11734E-01 7992 0.231E+01 0.306E-01 RMM: 2 -0.325830343130E+03 -0.26874E-01 -0.11074E-01 4958 0.783E-01 0.162E+00 RMM: 3 -0.325812193375E+03 0.18150E-01 -0.14511E-02 5404 0.278E-01 0.307E-01 RMM: 4 -0.325811550037E+03 0.64334E-03 -0.15818E-03 4804 0.817E-02 0.107E-01 RMM: 5 -0.325811590824E+03 -0.40786E-04 -0.26025E-04 3900 0.413E-02 0.137E-01 RMM: 6 -0.325811465215E+03 0.12561E-03 -0.82661E-05 3525 0.265E-02 0.337E-02 RMM: 7 -0.325811466555E+03 -0.13409E-05 -0.17824E-05 2524 0.131E-02 8753 T= 5947. E= 0.67576451E+03 F= 0.63045752E+03 E0= 0.65900964E+03 EK= 0.48425E+02 SP= -.34E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326036130823E+03 -0.22467E+00 -0.10989E-01 8288 0.231E+01 0.253E-01 RMM: 2 -0.326056243010E+03 -0.20112E-01 -0.99056E-02 5030 0.733E-01 0.131E+00 RMM: 3 -0.326044071443E+03 0.12172E-01 -0.11662E-02 5422 0.242E-01 0.223E-01 RMM: 4 -0.326043715249E+03 0.35619E-03 -0.11028E-03 4820 0.666E-02 0.927E-02 RMM: 5 -0.326043671449E+03 0.43799E-04 -0.13170E-04 3829 0.302E-02 0.857E-02 RMM: 6 -0.326043625906E+03 0.45544E-04 -0.34032E-05 2863 0.175E-02 0.439E-02 RMM: 7 -0.326043629874E+03 -0.39684E-05 -0.21640E-05 2532 0.141E-02 8754 T= 5937. E= 0.67576145E+03 F= 0.63022536E+03 E0= 0.65877304E+03 EK= 0.48350E+02 SP= -.30E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326408172855E+03 -0.36455E+00 -0.10769E-01 8264 0.231E+01 0.179E-01 RMM: 2 -0.326420562871E+03 -0.12390E-01 -0.90578E-02 4986 0.690E-01 0.811E-01 RMM: 3 -0.326415731370E+03 0.48315E-02 -0.97710E-03 5758 0.200E-01 0.154E-01 RMM: 4 -0.326415506068E+03 0.22530E-03 -0.61185E-04 4836 0.521E-02 0.846E-02 RMM: 5 -0.326415470960E+03 0.35108E-04 -0.79670E-05 3549 0.254E-02 0.673E-02 RMM: 6 -0.326415445952E+03 0.25008E-04 -0.23105E-05 2563 0.147E-02 0.393E-02 RMM: 7 -0.326415450235E+03 -0.42834E-05 -0.19550E-05 2525 0.136E-02 8755 T= 5948. E= 0.67575755E+03 F= 0.62985354E+03 E0= 0.65839372E+03 EK= 0.48434E+02 SP= -.27E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326870144345E+03 -0.45470E+00 -0.11216E-01 8152 0.232E+01 0.184E-01 RMM: 2 -0.326884269909E+03 -0.14126E-01 -0.98180E-02 4925 0.712E-01 0.904E-01 RMM: 3 -0.326878255723E+03 0.60142E-02 -0.10404E-02 5768 0.206E-01 0.167E-01 RMM: 4 -0.326878001687E+03 0.25404E-03 -0.68702E-04 4741 0.578E-02 0.974E-02 RMM: 5 -0.326877942525E+03 0.59162E-04 -0.96125E-05 3662 0.260E-02 0.705E-02 RMM: 6 -0.326877915401E+03 0.27124E-04 -0.25953E-05 2581 0.156E-02 0.411E-02 RMM: 7 -0.326877915202E+03 0.19891E-06 -0.18483E-05 2522 0.129E-02 8756 T= 5971. E= 0.67575384E+03 F= 0.62939107E+03 E0= 0.65791988E+03 EK= 0.48627E+02 SP= -.24E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327381449528E+03 -0.50353E+00 -0.11967E-01 8184 0.233E+01 0.151E-01 RMM: 2 -0.327394591372E+03 -0.13142E-01 -0.10900E-01 4967 0.742E-01 0.684E-01 RMM: 3 -0.327390713223E+03 0.38781E-02 -0.11130E-02 5897 0.201E-01 0.135E-01 RMM: 4 -0.327390484835E+03 0.22839E-03 -0.55539E-04 4943 0.505E-02 0.848E-02 RMM: 5 -0.327390438868E+03 0.45967E-04 -0.64246E-05 3370 0.236E-02 0.613E-02 RMM: 6 -0.327390422651E+03 0.16217E-04 -0.22979E-05 2543 0.148E-02 8757 T= 6004. E= 0.67575116E+03 F= 0.62887857E+03 E0= 0.65739235E+03 EK= 0.48889E+02 SP= -.22E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327915770184E+03 -0.52533E+00 -0.12557E-01 8080 0.233E+01 0.228E-01 RMM: 2 -0.327934925848E+03 -0.19156E-01 -0.12039E-01 4834 0.802E-01 0.113E+00 RMM: 3 -0.327925794698E+03 0.91312E-02 -0.14129E-02 5599 0.247E-01 0.193E-01 RMM: 4 -0.327925423419E+03 0.37128E-03 -0.10628E-03 5191 0.640E-02 0.802E-02 RMM: 5 -0.327925389227E+03 0.34192E-04 -0.10301E-04 3765 0.263E-02 0.692E-02 RMM: 6 -0.327925367050E+03 0.22178E-04 -0.23025E-05 2559 0.142E-02 0.518E-02 RMM: 7 -0.327925381176E+03 -0.14127E-04 -0.34677E-05 2771 0.171E-02 8758 T= 6040. E= 0.67574930E+03 F= 0.62834361E+03 E0= 0.65683864E+03 EK= 0.49190E+02 SP= -.19E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328456134851E+03 -0.53077E+00 -0.11564E-01 7824 0.234E+01 0.234E-01 RMM: 2 -0.328473908706E+03 -0.17774E-01 -0.10547E-01 4816 0.761E-01 0.111E+00 RMM: 3 -0.328464973884E+03 0.89348E-02 -0.12988E-02 5541 0.242E-01 0.233E-01 RMM: 4 -0.328464566888E+03 0.40700E-03 -0.11401E-03 4745 0.716E-02 0.106E-01 RMM: 5 -0.328464564239E+03 0.26491E-05 -0.17522E-04 3875 0.341E-02 8759 T= 6080. E= 0.67574827E+03 F= 0.62780443E+03 E0= 0.65627710E+03 EK= 0.49511E+02 SP= -.17E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328976998890E+03 -0.51243E+00 -0.11713E-01 7816 0.235E+01 0.180E-01 RMM: 2 -0.328995264779E+03 -0.18266E-01 -0.12308E-01 4821 0.815E-01 0.103E+00 RMM: 3 -0.328987818532E+03 0.74462E-02 -0.14246E-02 5725 0.232E-01 0.171E-01 RMM: 4 -0.328987481587E+03 0.33695E-03 -0.80356E-04 5330 0.575E-02 0.818E-02 RMM: 5 -0.328987440686E+03 0.40900E-04 -0.80826E-05 3455 0.258E-02 0.713E-02 RMM: 6 -0.328987428102E+03 0.12584E-04 -0.25592E-05 2563 0.151E-02 8760 T= 6119. E= 0.67574664E+03 F= 0.62728156E+03 E0= 0.65573112E+03 EK= 0.49829E+02 SP= -.15E+01 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329451561593E+03 -0.46412E+00 -0.12446E-01 7656 0.236E+01 0.315E-01 RMM: 2 -0.329490099199E+03 -0.38538E-01 -0.13394E-01 4734 0.876E-01 0.197E+00 RMM: 3 -0.329462388880E+03 0.27710E-01 -0.18992E-02 5383 0.317E-01 0.236E-01 RMM: 4 -0.329462007097E+03 0.38178E-03 -0.20985E-03 5567 0.786E-02 0.877E-02 RMM: 5 -0.329461970605E+03 0.36492E-04 -0.15441E-04 3832 0.312E-02 0.912E-02 RMM: 6 -0.329461918872E+03 0.51733E-04 -0.34826E-05 2930 0.177E-02 0.415E-02 RMM: 7 -0.329461921575E+03 -0.27034E-05 -0.18808E-05 2519 0.137E-02 8761 T= 6153. E= 0.67574342E+03 F= 0.62680707E+03 E0= 0.65523251E+03 EK= 0.50110E+02 SP= -.13E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329835155434E+03 -0.37324E+00 -0.11586E-01 7720 0.237E+01 0.377E-01 RMM: 2 -0.329874564828E+03 -0.39409E-01 -0.11075E-01 4873 0.826E-01 0.211E+00 RMM: 3 -0.329843295347E+03 0.31269E-01 -0.18448E-02 5353 0.333E-01 0.362E-01 RMM: 4 -0.329842379009E+03 0.91634E-03 -0.21940E-03 5150 0.961E-02 0.106E-01 RMM: 5 -0.329842461941E+03 -0.82933E-04 -0.29798E-04 3911 0.397E-02 0.160E-01 RMM: 6 -0.329842286960E+03 0.17498E-03 -0.92580E-05 3655 0.274E-02 0.404E-02 RMM: 7 -0.329842283047E+03 0.39126E-05 -0.20836E-05 2556 0.132E-02 8762 T= 6178. E= 0.67574030E+03 F= 0.62642671E+03 E0= 0.65482920E+03 EK= 0.50308E+02 SP= -.11E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330071053776E+03 -0.22877E+00 -0.11283E-01 7712 0.237E+01 0.222E-01 RMM: 2 -0.330090213422E+03 -0.19160E-01 -0.95157E-02 4966 0.733E-01 0.127E+00 RMM: 3 -0.330078947671E+03 0.11266E-01 -0.11433E-02 5439 0.235E-01 0.196E-01 RMM: 4 -0.330078678953E+03 0.26872E-03 -0.10170E-03 4919 0.629E-02 0.907E-02 RMM: 5 -0.330078632841E+03 0.46112E-04 -0.11898E-04 3771 0.296E-02 0.739E-02 RMM: 6 -0.330078597935E+03 0.34906E-04 -0.27713E-05 2631 0.157E-02 0.412E-02 RMM: 7 -0.330078597852E+03 0.83028E-07 -0.18639E-05 2508 0.136E-02 8763 T= 6186. E= 0.67573828E+03 F= 0.62619039E+03 E0= 0.65457288E+03 EK= 0.50374E+02 SP= -.88E+00 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330125589549E+03 -0.46992E-01 -0.10978E-01 7968 0.238E+01 0.181E-01 RMM: 2 -0.330138967767E+03 -0.13378E-01 -0.10187E-01 4968 0.759E-01 0.818E-01 RMM: 3 -0.330134352227E+03 0.46155E-02 -0.11696E-02 5827 0.207E-01 0.175E-01 RMM: 4 -0.330134014248E+03 0.33798E-03 -0.68053E-04 4761 0.582E-02 0.853E-02 RMM: 5 -0.330133967700E+03 0.46548E-04 -0.95007E-05 3767 0.257E-02 0.659E-02 RMM: 6 -0.330133947950E+03 0.19750E-04 -0.22772E-05 2554 0.144E-02 8764 T= 6173. E= 0.67573802E+03 F= 0.62613504E+03 E0= 0.65450158E+03 EK= 0.50273E+02 SP= -.72E+00 SK= 0.50E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329987916855E+03 0.14605E+00 -0.10774E-01 7952 0.237E+01 0.184E-01 RMM: 2 -0.330001761864E+03 -0.13845E-01 -0.98321E-02 5053 0.729E-01 0.881E-01 RMM: 3 -0.329996301323E+03 0.54605E-02 -0.10887E-02 5751 0.207E-01 0.164E-01 RMM: 4 -0.329996037183E+03 0.26414E-03 -0.64236E-04 4921 0.529E-02 0.895E-02 RMM: 5 -0.329995976276E+03 0.60907E-04 -0.71710E-05 3515 0.234E-02 0.680E-02 RMM: 6 -0.329995964220E+03 0.12056E-04 -0.21262E-05 2526 0.137E-02 8765 T= 6139. E= 0.67573963E+03 F= 0.62627303E+03 E0= 0.65462832E+03 EK= 0.49992E+02 SP= -.57E+00 SK= 0.42E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329674480225E+03 0.32150E+00 -0.10886E-01 8080 0.236E+01 0.289E-01 RMM: 2 -0.329699213305E+03 -0.24733E-01 -0.96317E-02 5049 0.746E-01 0.158E+00 RMM: 3 -0.329681966374E+03 0.17247E-01 -0.12976E-02 5422 0.265E-01 0.277E-01 RMM: 4 -0.329681385638E+03 0.58074E-03 -0.13824E-03 4716 0.774E-02 0.761E-02 RMM: 5 -0.329681365816E+03 0.19822E-04 -0.15556E-04 4289 0.279E-02 8766 T= 6085. E= 0.67574382E+03 F= 0.62658762E+03 E0= 0.65493736E+03 EK= 0.49552E+02 SP= -.43E+00 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329226773101E+03 0.45461E+00 -0.10790E-01 8208 0.234E+01 0.208E-01 RMM: 2 -0.329244003523E+03 -0.17230E-01 -0.98816E-02 5095 0.716E-01 0.111E+00 RMM: 3 -0.329234950359E+03 0.90532E-02 -0.10564E-02 5465 0.225E-01 0.224E-01 RMM: 4 -0.329234585470E+03 0.36489E-03 -0.94926E-04 4772 0.636E-02 0.890E-02 RMM: 5 -0.329234534244E+03 0.51226E-04 -0.10225E-04 3943 0.253E-02 0.734E-02 RMM: 6 -0.329234518065E+03 0.16180E-04 -0.22190E-05 2556 0.139E-02 8767 T= 6017. E= 0.67574894E+03 F= 0.62703447E+03 E0= 0.65538302E+03 EK= 0.48996E+02 SP= -.31E+00 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328709797680E+03 0.52474E+00 -0.10937E-01 7936 0.232E+01 0.326E-01 RMM: 2 -0.328738268269E+03 -0.28471E-01 -0.10903E-01 4837 0.797E-01 0.171E+00 RMM: 3 -0.328718354744E+03 0.19914E-01 -0.15884E-02 5406 0.298E-01 0.346E-01 RMM: 4 -0.328717475199E+03 0.87954E-03 -0.17143E-03 4889 0.854E-02 0.821E-02 RMM: 5 -0.328717484112E+03 -0.89131E-05 -0.21534E-04 3942 0.339E-02 0.102E-01 RMM: 6 -0.328717419166E+03 0.64946E-04 -0.42428E-05 3070 0.196E-02 0.401E-02 RMM: 7 -0.328717417896E+03 0.12701E-05 -0.15526E-05 2499 0.123E-02 8768 T= 5942. E= 0.67575380E+03 F= 0.62755157E+03 E0= 0.65590307E+03 EK= 0.48389E+02 SP= -.20E+00 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328189865521E+03 0.52755E+00 -0.10644E-01 8000 0.230E+01 0.280E-01 RMM: 2 -0.328215825617E+03 -0.25960E-01 -0.11217E-01 4932 0.776E-01 0.153E+00 RMM: 3 -0.328199183171E+03 0.16642E-01 -0.14780E-02 5412 0.276E-01 0.298E-01 RMM: 4 -0.328198576881E+03 0.60629E-03 -0.15531E-03 4876 0.817E-02 0.112E-01 RMM: 5 -0.328198554905E+03 0.21976E-04 -0.22018E-04 3933 0.378E-02 0.108E-01 RMM: 6 -0.328198474605E+03 0.80300E-04 -0.62757E-05 3355 0.231E-02 0.314E-02 RMM: 7 -0.328198478927E+03 -0.43223E-05 -0.17750E-05 2526 0.129E-02 8769 T= 5870. E= 0.67575879E+03 F= 0.62807051E+03 E0= 0.65642732E+03 EK= 0.47800E+02 SP= -.12E+00 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327734113839E+03 0.46436E+00 -0.11174E-01 7968 0.228E+01 0.228E-01 RMM: 2 -0.327755179760E+03 -0.21066E-01 -0.12602E-01 4809 0.838E-01 0.120E+00 RMM: 3 -0.327744761878E+03 0.10418E-01 -0.14967E-02 5609 0.257E-01 0.198E-01 RMM: 4 -0.327744392140E+03 0.36974E-03 -0.10489E-03 5005 0.660E-02 0.815E-02 RMM: 5 -0.327744362183E+03 0.29958E-04 -0.12760E-04 3830 0.309E-02 0.739E-02 RMM: 6 -0.327744326433E+03 0.35750E-04 -0.29820E-05 2769 0.164E-02 0.342E-02 RMM: 7 -0.327744327685E+03 -0.12517E-05 -0.14623E-05 2495 0.121E-02 8770 T= 5808. E= 0.67576293E+03 F= 0.62852466E+03 E0= 0.65688892E+03 EK= 0.47297E+02 SP= -.63E-01 SK= 0.41E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327402026383E+03 0.34230E+00 -0.10380E-01 8064 0.226E+01 0.177E-01 RMM: 2 -0.327414501473E+03 -0.12475E-01 -0.94609E-02 4914 0.721E-01 0.789E-01 RMM: 3 -0.327409942997E+03 0.45585E-02 -0.10846E-02 5816 0.211E-01 0.115E-01 RMM: 4 -0.327409790204E+03 0.15279E-03 -0.59715E-04 4964 0.511E-02 0.935E-02 RMM: 5 -0.327409731724E+03 0.58480E-04 -0.67944E-05 3491 0.239E-02 0.590E-02 RMM: 6 -0.327409713772E+03 0.17952E-04 -0.22093E-05 2542 0.144E-02 8771 T= 5764. E= 0.67576604E+03 F= 0.62885928E+03 E0= 0.65723208E+03 EK= 0.46937E+02 SP= -.31E-01 SK= 0.64E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327224905469E+03 0.18483E+00 -0.10710E-01 7864 0.225E+01 0.169E-01 RMM: 2 -0.327238292887E+03 -0.13387E-01 -0.98103E-02 5032 0.716E-01 0.823E-01 RMM: 3 -0.327233200611E+03 0.50923E-02 -0.10328E-02 5719 0.206E-01 0.158E-01 RMM: 4 -0.327232959540E+03 0.24107E-03 -0.61270E-04 4924 0.516E-02 0.804E-02 RMM: 5 -0.327232915707E+03 0.43834E-04 -0.65950E-05 3326 0.236E-02 0.617E-02 RMM: 6 -0.327232900090E+03 0.15616E-04 -0.21378E-05 2518 0.142E-02 8772 T= 5742. E= 0.67576778E+03 F= 0.62903609E+03 E0= 0.65741851E+03 EK= 0.46759E+02 SP= -.27E-01 SK= 0.24E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327226065251E+03 0.68505E-02 -0.99911E-02 7904 0.225E+01 0.289E-01 RMM: 2 -0.327250298895E+03 -0.24234E-01 -0.90219E-02 5075 0.723E-01 0.157E+00 RMM: 3 -0.327233125997E+03 0.17173E-01 -0.12246E-02 5407 0.260E-01 0.302E-01 RMM: 4 -0.327232459937E+03 0.66606E-03 -0.13350E-03 4685 0.767E-02 0.795E-02 RMM: 5 -0.327232443544E+03 0.16393E-04 -0.15924E-04 3952 0.305E-02 8773 T= 5745. E= 0.67576893E+03 F= 0.62903655E+03 E0= 0.65742913E+03 EK= 0.46782E+02 SP= -.53E-01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327396170720E+03 -0.16371E+00 -0.95681E-02 7896 0.225E+01 0.202E-01 RMM: 2 -0.327415132079E+03 -0.18961E-01 -0.95296E-02 5161 0.688E-01 0.122E+00 RMM: 3 -0.327404289606E+03 0.10842E-01 -0.10517E-02 5477 0.218E-01 0.188E-01 RMM: 4 -0.327404027430E+03 0.26218E-03 -0.90847E-04 4758 0.617E-02 0.995E-02 RMM: 5 -0.327403977715E+03 0.49714E-04 -0.10427E-04 3870 0.260E-02 0.754E-02 RMM: 6 -0.327403953071E+03 0.24644E-04 -0.23663E-05 2562 0.148E-02 0.545E-02 RMM: 7 -0.327403971210E+03 -0.18139E-04 -0.38768E-05 2988 0.172E-02 8774 T= 5772. E= 0.67576898E+03 F= 0.62886502E+03 E0= 0.65726909E+03 EK= 0.47002E+02 SP= -.11E+00 SK= 0.93E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327715636010E+03 -0.31168E+00 -0.10386E-01 7824 0.225E+01 0.215E-01 RMM: 2 -0.327729361543E+03 -0.13726E-01 -0.10133E-01 4935 0.739E-01 0.858E-01 RMM: 3 -0.327724127591E+03 0.52340E-02 -0.11358E-02 5700 0.208E-01 0.196E-01 RMM: 4 -0.327723902991E+03 0.22460E-03 -0.89220E-04 4714 0.691E-02 0.160E-01 RMM: 5 -0.327723767517E+03 0.13547E-03 -0.17417E-04 3883 0.337E-02 0.892E-02 RMM: 6 -0.327723718038E+03 0.49479E-04 -0.53047E-05 3263 0.218E-02 0.294E-02 RMM: 7 -0.327723729752E+03 -0.11714E-04 -0.19701E-05 2548 0.141E-02 8775 T= 5820. E= 0.67576649E+03 F= 0.62854526E+03 E0= 0.65696205E+03 EK= 0.47392E+02 SP= -.19E+00 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328143759694E+03 -0.42004E+00 -0.10377E-01 8000 0.226E+01 0.171E-01 RMM: 2 -0.328156736635E+03 -0.12977E-01 -0.97450E-02 5150 0.710E-01 0.808E-01 RMM: 3 -0.328152011658E+03 0.47250E-02 -0.99653E-03 5909 0.190E-01 0.135E-01 RMM: 4 -0.328151787593E+03 0.22407E-03 -0.52214E-04 4623 0.514E-02 0.101E-01 RMM: 5 -0.328151703911E+03 0.83681E-04 -0.75759E-05 3571 0.233E-02 0.585E-02 RMM: 6 -0.328151691650E+03 0.12261E-04 -0.21603E-05 2551 0.137E-02 8776 T= 5884. E= 0.67576382E+03 F= 0.62811730E+03 E0= 0.65654749E+03 EK= 0.47915E+02 SP= -.30E+00 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328632070316E+03 -0.48037E+00 -0.10903E-01 8144 0.227E+01 0.173E-01 RMM: 2 -0.328647639884E+03 -0.15570E-01 -0.10446E-01 5200 0.699E-01 0.941E-01 RMM: 3 -0.328640988928E+03 0.66510E-02 -0.10257E-02 5578 0.202E-01 0.163E-01 RMM: 4 -0.328640753878E+03 0.23505E-03 -0.71418E-04 4864 0.539E-02 0.846E-02 RMM: 5 -0.328640707669E+03 0.46209E-04 -0.75513E-05 3571 0.226E-02 0.662E-02 RMM: 6 -0.328640697157E+03 0.10511E-04 -0.24328E-05 2566 0.148E-02 8777 T= 5958. E= 0.67576073E+03 F= 0.62762829E+03 E0= 0.65607350E+03 EK= 0.48521E+02 SP= -.43E+00 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329133917244E+03 -0.49321E+00 -0.11351E-01 8480 0.228E+01 0.373E-01 RMM: 2 -0.329171601002E+03 -0.37684E-01 -0.12007E-01 5141 0.805E-01 0.201E+00 RMM: 3 -0.329142898042E+03 0.28703E-01 -0.17219E-02 5384 0.315E-01 0.384E-01 RMM: 4 -0.329141840100E+03 0.10579E-02 -0.21941E-03 4933 0.977E-02 0.963E-02 RMM: 5 -0.329141829793E+03 0.10307E-04 -0.26743E-04 4117 0.347E-02 0.112E-01 RMM: 6 -0.329141753027E+03 0.76767E-04 -0.46145E-05 3108 0.206E-02 0.514E-02 RMM: 7 -0.329141753504E+03 -0.47728E-06 -0.20345E-05 2541 0.136E-02 8778 T= 6037. E= 0.67575779E+03 F= 0.62712724E+03 E0= 0.65558719E+03 EK= 0.49160E+02 SP= -.58E+00 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329604055750E+03 -0.46230E+00 -0.12358E-01 8728 0.229E+01 0.294E-01 RMM: 2 -0.329634554589E+03 -0.30499E-01 -0.12845E-01 5147 0.766E-01 0.166E+00 RMM: 3 -0.329614631358E+03 0.19923E-01 -0.15058E-02 5392 0.280E-01 0.348E-01 RMM: 4 -0.329613811621E+03 0.81974E-03 -0.18477E-03 4894 0.890E-02 0.114E-01 RMM: 5 -0.329613801311E+03 0.10310E-04 -0.24544E-04 3903 0.388E-02 0.118E-01 RMM: 6 -0.329613708596E+03 0.92715E-04 -0.57928E-05 3317 0.222E-02 0.417E-02 RMM: 7 -0.329613710488E+03 -0.18922E-05 -0.18932E-05 2542 0.132E-02 8779 T= 6114. E= 0.67575610E+03 F= 0.62665528E+03 E0= 0.65512936E+03 EK= 0.49789E+02 SP= -.75E+00 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330017803520E+03 -0.40409E+00 -0.13713E-01 8864 0.230E+01 0.237E-01 RMM: 2 -0.330042280126E+03 -0.24477E-01 -0.14524E-01 5111 0.815E-01 0.128E+00 RMM: 3 -0.330029988050E+03 0.12292E-01 -0.14667E-02 5583 0.247E-01 0.220E-01 RMM: 4 -0.330029562510E+03 0.42554E-03 -0.11412E-03 4901 0.686E-02 0.925E-02 RMM: 5 -0.330029522821E+03 0.39690E-04 -0.13750E-04 3893 0.291E-02 0.783E-02 RMM: 6 -0.330029490406E+03 0.32415E-04 -0.27231E-05 2627 0.156E-02 0.488E-02 RMM: 7 -0.330029494259E+03 -0.38532E-05 -0.18428E-05 2526 0.134E-02 8780 T= 6186. E= 0.67575510E+03 F= 0.62623950E+03 E0= 0.65472527E+03 EK= 0.50379E+02 SP= -.94E+00 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330365067286E+03 -0.33558E+00 -0.15079E-01 8832 0.230E+01 0.167E-01 RMM: 2 -0.330383161883E+03 -0.18095E-01 -0.15424E-01 5276 0.816E-01 0.742E-01 RMM: 3 -0.330378164879E+03 0.49970E-02 -0.12636E-02 5876 0.217E-01 0.145E-01 RMM: 4 -0.330377909167E+03 0.25571E-03 -0.70535E-04 4924 0.558E-02 0.975E-02 RMM: 5 -0.330377852716E+03 0.56451E-04 -0.88937E-05 3629 0.251E-02 0.659E-02 RMM: 6 -0.330377833534E+03 0.19182E-04 -0.22407E-05 2556 0.144E-02 8781 T= 6252. E= 0.67575449E+03 F= 0.62589116E+03 E0= 0.65438654E+03 EK= 0.50915E+02 SP= -.11E+01 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330646407520E+03 -0.26855E+00 -0.17073E-01 8728 0.231E+01 0.204E-01 RMM: 2 -0.330670279960E+03 -0.23872E-01 -0.18234E-01 5180 0.896E-01 0.101E+00 RMM: 3 -0.330662039804E+03 0.82402E-02 -0.15838E-02 5870 0.243E-01 0.196E-01 RMM: 4 -0.330661591412E+03 0.44839E-03 -0.94025E-04 4930 0.649E-02 0.935E-02 RMM: 5 -0.330661547599E+03 0.43812E-04 -0.11078E-04 4077 0.252E-02 0.770E-02 RMM: 6 -0.330661527924E+03 0.19675E-04 -0.21018E-05 2546 0.138E-02 8782 T= 6312. E= 0.67575500E+03 F= 0.62560746E+03 E0= 0.65410931E+03 EK= 0.51399E+02 SP= -.13E+01 SK= 0.89E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330882407249E+03 -0.22086E+00 -0.17316E-01 8896 0.232E+01 0.343E-01 RMM: 2 -0.330922075140E+03 -0.39668E-01 -0.18162E-01 5076 0.918E-01 0.186E+00 RMM: 3 -0.330897107081E+03 0.24968E-01 -0.20358E-02 5428 0.322E-01 0.331E-01 RMM: 4 -0.330896275241E+03 0.83184E-03 -0.21625E-03 5178 0.913E-02 0.103E-01 RMM: 5 -0.330896233368E+03 0.41873E-04 -0.22905E-04 4099 0.335E-02 0.926E-02 RMM: 6 -0.330896190862E+03 0.42506E-04 -0.32387E-05 2718 0.168E-02 0.636E-02 RMM: 7 -0.330896197697E+03 -0.68349E-05 -0.28874E-05 2668 0.168E-02 8783 T= 6366. E= 0.67575564E+03 F= 0.62537279E+03 E0= 0.65387940E+03 EK= 0.51842E+02 SP= -.16E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331089637593E+03 -0.19345E+00 -0.17871E-01 8912 0.233E+01 0.379E-01 RMM: 2 -0.331134775542E+03 -0.45138E-01 -0.19768E-01 5000 0.956E-01 0.203E+00 RMM: 3 -0.331105686810E+03 0.29089E-01 -0.22937E-02 5434 0.340E-01 0.362E-01 RMM: 4 -0.331104772023E+03 0.91479E-03 -0.26433E-03 5258 0.106E-01 0.157E-01 RMM: 5 -0.331104817461E+03 -0.45437E-04 -0.42433E-04 3968 0.475E-02 0.176E-01 RMM: 6 -0.331104616112E+03 0.20135E-03 -0.14089E-04 3874 0.332E-02 0.543E-02 RMM: 7 -0.331104604471E+03 0.11641E-04 -0.24054E-05 2638 0.141E-02 8784 T= 6418. E= 0.67575619E+03 F= 0.62516438E+03 E0= 0.65367415E+03 EK= 0.52267E+02 SP= -.18E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331293161086E+03 -0.18854E+00 -0.18696E-01 8952 0.234E+01 0.322E-01 RMM: 2 -0.331331631556E+03 -0.38470E-01 -0.20103E-01 5009 0.963E-01 0.176E+00 RMM: 3 -0.331309844585E+03 0.21787E-01 -0.21418E-02 5509 0.318E-01 0.299E-01 RMM: 4 -0.331309126804E+03 0.71778E-03 -0.20335E-03 5262 0.873E-02 0.114E-01 RMM: 5 -0.331309049991E+03 0.76812E-04 -0.22716E-04 3926 0.366E-02 0.946E-02 RMM: 6 -0.331308988131E+03 0.61860E-04 -0.53722E-05 3182 0.210E-02 0.500E-02 RMM: 7 -0.331308990431E+03 -0.23001E-05 -0.24627E-05 2565 0.152E-02 8785 T= 6470. E= 0.67575693E+03 F= 0.62496000E+03 E0= 0.65347108E+03 EK= 0.52692E+02 SP= -.20E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331514403924E+03 -0.20542E+00 -0.18203E-01 8920 0.236E+01 0.231E-01 RMM: 2 -0.331541475858E+03 -0.27072E-01 -0.20136E-01 5048 0.970E-01 0.112E+00 RMM: 3 -0.331532003631E+03 0.94722E-02 -0.20051E-02 5766 0.279E-01 0.199E-01 RMM: 4 -0.331531541706E+03 0.46193E-03 -0.13038E-03 5223 0.719E-02 0.102E-01 RMM: 5 -0.331531494252E+03 0.47453E-04 -0.15871E-04 3946 0.333E-02 0.874E-02 RMM: 6 -0.331531445442E+03 0.48810E-04 -0.38778E-05 2978 0.185E-02 0.419E-02 RMM: 7 -0.331531451926E+03 -0.64841E-05 -0.26336E-05 2606 0.160E-02 8786 T= 6525. E= 0.67575740E+03 F= 0.62473754E+03 E0= 0.65325022E+03 EK= 0.53138E+02 SP= -.22E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331776274978E+03 -0.24483E+00 -0.18982E-01 8688 0.238E+01 0.202E-01 RMM: 2 -0.331801865034E+03 -0.25590E-01 -0.21628E-01 4998 0.102E+00 0.899E-01 RMM: 3 -0.331795278667E+03 0.65864E-02 -0.21009E-02 6051 0.269E-01 0.185E-01 RMM: 4 -0.331794744719E+03 0.53395E-03 -0.10261E-03 4945 0.721E-02 0.121E-01 RMM: 5 -0.331794662577E+03 0.82142E-04 -0.15354E-04 3928 0.321E-02 0.843E-02 RMM: 6 -0.331794620374E+03 0.42203E-04 -0.37617E-05 2943 0.183E-02 0.495E-02 RMM: 7 -0.331794623683E+03 -0.33087E-05 -0.30884E-05 2624 0.160E-02 8787 T= 6585. E= 0.67575797E+03 F= 0.62447437E+03 E0= 0.65298867E+03 EK= 0.53625E+02 SP= -.24E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332111750765E+03 -0.31713E+00 -0.16900E-01 8880 0.239E+01 0.200E-01 RMM: 2 -0.332133830705E+03 -0.22080E-01 -0.18445E-01 4994 0.942E-01 0.857E-01 RMM: 3 -0.332127705541E+03 0.61252E-02 -0.18212E-02 5986 0.259E-01 0.180E-01 RMM: 4 -0.332127275320E+03 0.43022E-03 -0.91960E-04 5121 0.643E-02 0.986E-02 RMM: 5 -0.332127219574E+03 0.55746E-04 -0.11446E-04 3965 0.285E-02 0.804E-02 RMM: 6 -0.332127191727E+03 0.27847E-04 -0.30140E-05 2664 0.165E-02 0.596E-02 RMM: 7 -0.332127199071E+03 -0.73445E-05 -0.55002E-05 3216 0.204E-02 8788 T= 6653. E= 0.67575952E+03 F= 0.62414179E+03 E0= 0.65265811E+03 EK= 0.54182E+02 SP= -.27E+01 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332554276985E+03 -0.42709E+00 -0.16142E-01 8800 0.241E+01 0.217E-01 RMM: 2 -0.332576688850E+03 -0.22412E-01 -0.18044E-01 5011 0.945E-01 0.926E-01 RMM: 3 -0.332569882775E+03 0.68061E-02 -0.18526E-02 5975 0.262E-01 0.223E-01 RMM: 4 -0.332569336986E+03 0.54579E-03 -0.10340E-03 4857 0.717E-02 0.110E-01 RMM: 5 -0.332569268977E+03 0.68010E-04 -0.14729E-04 4022 0.296E-02 0.834E-02 RMM: 6 -0.332569234795E+03 0.34182E-04 -0.30776E-05 2783 0.167E-02 0.532E-02 RMM: 7 -0.332569238659E+03 -0.38638E-05 -0.27359E-05 2602 0.157E-02 8789 T= 6735. E= 0.67576101E+03 F= 0.62369975E+03 E0= 0.65222041E+03 EK= 0.54845E+02 SP= -.29E+01 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333141685485E+03 -0.57245E+00 -0.15758E-01 8368 0.242E+01 0.238E-01 RMM: 2 -0.333168085499E+03 -0.26400E-01 -0.19207E-01 4852 0.101E+00 0.112E+00 RMM: 3 -0.333158448419E+03 0.96371E-02 -0.21842E-02 5767 0.292E-01 0.230E-01 RMM: 4 -0.333157856299E+03 0.59212E-03 -0.13374E-03 5204 0.754E-02 0.944E-02 RMM: 5 -0.333157810119E+03 0.46180E-04 -0.15445E-04 4157 0.312E-02 0.847E-02 RMM: 6 -0.333157778287E+03 0.31832E-04 -0.29126E-05 2597 0.160E-02 0.630E-02 RMM: 7 -0.333157789516E+03 -0.11229E-04 -0.36412E-05 2875 0.177E-02 8790 T= 6833. E= 0.67576087E+03 F= 0.62311120E+03 E0= 0.65163855E+03 EK= 0.55646E+02 SP= -.31E+01 SK= 0.78E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333886462002E+03 -0.72868E+00 -0.13508E-01 8040 0.244E+01 0.251E-01 RMM: 2 -0.333909704575E+03 -0.23243E-01 -0.15189E-01 4825 0.904E-01 0.119E+00 RMM: 3 -0.333899450762E+03 0.10254E-01 -0.17875E-02 5656 0.278E-01 0.255E-01 RMM: 4 -0.333898888747E+03 0.56201E-03 -0.13125E-03 4933 0.768E-02 0.973E-02 RMM: 5 -0.333898857900E+03 0.30848E-04 -0.17937E-04 4004 0.330E-02 0.930E-02 RMM: 6 -0.333898805684E+03 0.52216E-04 -0.37824E-05 2956 0.183E-02 0.452E-02 RMM: 7 -0.333898809247E+03 -0.35627E-05 -0.18910E-05 2525 0.138E-02 8791 T= 6949. E= 0.67575707E+03 F= 0.62237018E+03 E0= 0.65090704E+03 EK= 0.56586E+02 SP= -.33E+01 SK= 0.67E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334726929542E+03 -0.82812E+00 -0.12716E-01 7904 0.246E+01 0.196E-01 RMM: 2 -0.334744409916E+03 -0.17480E-01 -0.13537E-01 4826 0.853E-01 0.878E-01 RMM: 3 -0.334738562245E+03 0.58477E-02 -0.15320E-02 5757 0.247E-01 0.181E-01 RMM: 4 -0.334738216820E+03 0.34542E-03 -0.88997E-04 5039 0.623E-02 0.911E-02 RMM: 5 -0.334738172421E+03 0.44399E-04 -0.11565E-04 3819 0.301E-02 0.778E-02 RMM: 6 -0.334738138159E+03 0.34262E-04 -0.30190E-05 2656 0.164E-02 0.477E-02 RMM: 7 -0.334738136664E+03 0.14946E-05 -0.37521E-05 2720 0.182E-02 8792 T= 7074. E= 0.67574857E+03 F= 0.62153085E+03 E0= 0.65008060E+03 EK= 0.57605E+02 SP= -.34E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335546625858E+03 -0.80849E+00 -0.12561E-01 7976 0.248E+01 0.194E-01 RMM: 2 -0.335562076223E+03 -0.15450E-01 -0.12189E-01 4828 0.828E-01 0.832E-01 RMM: 3 -0.335557146433E+03 0.49298E-02 -0.14414E-02 5855 0.235E-01 0.174E-01 RMM: 4 -0.335556833961E+03 0.31247E-03 -0.79468E-04 4782 0.635E-02 0.117E-01 RMM: 5 -0.335556750131E+03 0.83830E-04 -0.12986E-04 3840 0.318E-02 0.764E-02 RMM: 6 -0.335556717006E+03 0.33125E-04 -0.32897E-05 2782 0.172E-02 0.399E-02 RMM: 7 -0.335556716003E+03 0.10033E-05 -0.21036E-05 2525 0.143E-02 8793 T= 7193. E= 0.67573821E+03 F= 0.62071227E+03 E0= 0.64927700E+03 EK= 0.58580E+02 SP= -.36E+01 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336197221589E+03 -0.64050E+00 -0.12996E-01 8128 0.250E+01 0.193E-01 RMM: 2 -0.336213200319E+03 -0.15979E-01 -0.12702E-01 5007 0.819E-01 0.833E-01 RMM: 3 -0.336208043465E+03 0.51569E-02 -0.13576E-02 5926 0.224E-01 0.195E-01 RMM: 4 -0.336207659878E+03 0.38359E-03 -0.74160E-04 4721 0.614E-02 0.117E-01 RMM: 5 -0.336207562598E+03 0.97280E-04 -0.11941E-04 3809 0.306E-02 0.734E-02 RMM: 6 -0.336207541699E+03 0.20899E-04 -0.28165E-05 2581 0.158E-02 0.580E-02 RMM: 7 -0.336207523667E+03 0.18032E-04 -0.43166E-05 2742 0.182E-02 8794 T= 7289. E= 0.67572932E+03 F= 0.62006147E+03 E0= 0.64864011E+03 EK= 0.59361E+02 SP= -.37E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336554779563E+03 -0.34724E+00 -0.13855E-01 8496 0.251E+01 0.193E-01 RMM: 2 -0.336570184152E+03 -0.15405E-01 -0.12794E-01 5128 0.797E-01 0.779E-01 RMM: 3 -0.336565442912E+03 0.47412E-02 -0.12644E-02 5963 0.215E-01 0.163E-01 RMM: 4 -0.336565179680E+03 0.26323E-03 -0.71240E-04 4711 0.598E-02 0.135E-01 RMM: 5 -0.336565052371E+03 0.12731E-03 -0.11508E-04 3769 0.291E-02 0.722E-02 RMM: 6 -0.336565034075E+03 0.18296E-04 -0.24515E-05 2564 0.146E-02 8795 T= 7346. E= 0.67572448E+03 F= 0.61970396E+03 E0= 0.64829202E+03 EK= 0.59821E+02 SP= -.38E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336551161045E+03 0.13891E-01 -0.14655E-01 8624 0.251E+01 0.233E-01 RMM: 2 -0.336571997667E+03 -0.20837E-01 -0.13423E-01 5168 0.788E-01 0.115E+00 RMM: 3 -0.336561872081E+03 0.10126E-01 -0.13146E-02 5513 0.245E-01 0.179E-01 RMM: 4 -0.336561651880E+03 0.22020E-03 -0.11460E-03 5444 0.617E-02 0.107E-01 RMM: 5 -0.336561558727E+03 0.93153E-04 -0.78802E-05 3709 0.256E-02 0.825E-02 RMM: 6 -0.336561546883E+03 0.11844E-04 -0.26788E-05 2580 0.153E-02 8796 T= 7354. E= 0.67572477E+03 F= 0.61970744E+03 E0= 0.64829519E+03 EK= 0.59889E+02 SP= -.39E+01 SK= 0.44E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336193641900E+03 0.36792E+00 -0.14813E-01 8632 0.249E+01 0.353E-01 RMM: 2 -0.336230992120E+03 -0.37350E-01 -0.12866E-01 5089 0.791E-01 0.198E+00 RMM: 3 -0.336203374096E+03 0.27618E-01 -0.17865E-02 5386 0.315E-01 0.336E-01 RMM: 4 -0.336202558552E+03 0.81554E-03 -0.19981E-03 4928 0.909E-02 0.110E-01 RMM: 5 -0.336202518572E+03 0.39980E-04 -0.21470E-04 4040 0.335E-02 0.107E-01 RMM: 6 -0.336202444992E+03 0.73581E-04 -0.37451E-05 2912 0.184E-02 0.567E-02 RMM: 7 -0.336202458330E+03 -0.13338E-04 -0.42149E-05 3061 0.186E-02 8797 T= 7315. E= 0.67572913E+03 F= 0.62006653E+03 E0= 0.64864202E+03 EK= 0.59569E+02 SP= -.39E+01 SK= 0.43E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335545405279E+03 0.65704E+00 -0.15238E-01 8440 0.247E+01 0.326E-01 RMM: 2 -0.335578881196E+03 -0.33476E-01 -0.13937E-01 5119 0.810E-01 0.179E+00 RMM: 3 -0.335556059123E+03 0.22822E-01 -0.16206E-02 5377 0.299E-01 0.339E-01 RMM: 4 -0.335555290008E+03 0.76912E-03 -0.19942E-03 5006 0.921E-02 0.120E-01 RMM: 5 -0.335555262666E+03 0.27342E-04 -0.24401E-04 3917 0.373E-02 0.125E-01 RMM: 6 -0.335555154353E+03 0.10831E-03 -0.65157E-05 3392 0.231E-02 0.474E-02 RMM: 7 -0.335555157291E+03 -0.29387E-05 -0.28078E-05 2634 0.158E-02 8798 T= 7236. E= 0.67573633E+03 F= 0.62071383E+03 E0= 0.64926321E+03 EK= 0.58928E+02 SP= -.39E+01 SK= 0.45E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.334716148452E+03 0.83901E+00 -0.16557E-01 8464 0.244E+01 0.257E-01 RMM: 2 -0.334740409376E+03 -0.24261E-01 -0.14706E-01 5022 0.846E-01 0.129E+00 RMM: 3 -0.334728299819E+03 0.12110E-01 -0.15371E-02 5585 0.265E-01 0.268E-01 RMM: 4 -0.334727741545E+03 0.55827E-03 -0.12693E-03 4849 0.747E-02 0.101E-01 RMM: 5 -0.334727685969E+03 0.55576E-04 -0.16627E-04 3945 0.320E-02 0.895E-02 RMM: 6 -0.334727638604E+03 0.47365E-04 -0.38342E-05 2954 0.183E-02 0.525E-02 RMM: 7 -0.334727643941E+03 -0.53375E-05 -0.30902E-05 2638 0.166E-02 8799 T= 7132. E= 0.67574390E+03 F= 0.62154135E+03 E0= 0.65005316E+03 EK= 0.58076E+02 SP= -.39E+01 SK= 0.34E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333828379270E+03 0.89926E+00 -0.16860E-01 8528 0.241E+01 0.235E-01 RMM: 2 -0.333851600193E+03 -0.23221E-01 -0.15703E-01 5020 0.876E-01 0.116E+00 RMM: 3 -0.333841483546E+03 0.10117E-01 -0.15474E-02 5714 0.260E-01 0.241E-01 RMM: 4 -0.333840995215E+03 0.48833E-03 -0.11281E-03 4941 0.700E-02 0.948E-02 RMM: 5 -0.333840951693E+03 0.43523E-04 -0.15381E-04 3862 0.328E-02 0.840E-02 RMM: 6 -0.333840908675E+03 0.43018E-04 -0.39300E-05 2979 0.181E-02 0.497E-02 RMM: 7 -0.333840917893E+03 -0.92182E-05 -0.34121E-05 2674 0.175E-02 8800 T= 7016. E= 0.67575018E+03 F= 0.62242807E+03 E0= 0.65089593E+03 EK= 0.57137E+02 SP= -.38E+01 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332987160117E+03 0.85375E+00 -0.17154E-01 8304 0.239E+01 0.226E-01 RMM: 2 -0.333011130776E+03 -0.23971E-01 -0.18379E-01 4892 0.977E-01 0.104E+00 RMM: 3 -0.333003201458E+03 0.79293E-02 -0.19491E-02 5890 0.272E-01 0.197E-01 RMM: 4 -0.333002719410E+03 0.48205E-03 -0.10955E-03 5042 0.710E-02 0.110E-01 RMM: 5 -0.333002663264E+03 0.56146E-04 -0.15817E-04 3886 0.323E-02 0.913E-02 RMM: 6 -0.333002614489E+03 0.48774E-04 -0.41822E-05 3027 0.191E-02 0.441E-02 RMM: 7 -0.333002622065E+03 -0.75762E-05 -0.28807E-05 2589 0.162E-02 8801 T= 6904. E= 0.67575541E+03 F= 0.62326637E+03 E0= 0.65169061E+03 EK= 0.56226E+02 SP= -.38E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332278383179E+03 0.72423E+00 -0.15675E-01 8512 0.238E+01 0.225E-01 RMM: 2 -0.332301310145E+03 -0.22927E-01 -0.16702E-01 4973 0.909E-01 0.107E+00 RMM: 3 -0.332292560920E+03 0.87492E-02 -0.16142E-02 5845 0.256E-01 0.208E-01 RMM: 4 -0.332292125205E+03 0.43571E-03 -0.10140E-03 4957 0.682E-02 0.101E-01 RMM: 5 -0.332292087562E+03 0.37643E-04 -0.14530E-04 3850 0.313E-02 0.895E-02 RMM: 6 -0.332292041887E+03 0.45675E-04 -0.39281E-05 3003 0.184E-02 0.488E-02 RMM: 7 -0.332292054232E+03 -0.12345E-04 -0.27943E-05 2617 0.158E-02 8802 T= 6806. E= 0.67575879E+03 F= 0.62397694E+03 E0= 0.65236256E+03 EK= 0.55425E+02 SP= -.37E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331744476546E+03 0.54757E+00 -0.15509E-01 8520 0.238E+01 0.214E-01 RMM: 2 -0.331765598361E+03 -0.21122E-01 -0.17021E-01 4949 0.914E-01 0.922E-01 RMM: 3 -0.331758962568E+03 0.66358E-02 -0.16809E-02 5931 0.255E-01 0.170E-01 RMM: 4 -0.331758603549E+03 0.35902E-03 -0.93809E-04 5038 0.649E-02 0.111E-01 RMM: 5 -0.331758547722E+03 0.55828E-04 -0.12835E-04 3794 0.298E-02 0.860E-02 RMM: 6 -0.331758506547E+03 0.41175E-04 -0.34679E-05 2910 0.177E-02 0.433E-02 RMM: 7 -0.331758512583E+03 -0.60361E-05 -0.24057E-05 2557 0.154E-02 8803 T= 6728. E= 0.67576038E+03 F= 0.62451048E+03 E0= 0.65286639E+03 EK= 0.54789E+02 SP= -.36E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331411727280E+03 0.34678E+00 -0.14861E-01 8616 0.237E+01 0.228E-01 RMM: 2 -0.331434368901E+03 -0.22642E-01 -0.15716E-01 5143 0.859E-01 0.113E+00 RMM: 3 -0.331424878156E+03 0.94907E-02 -0.14350E-02 5813 0.242E-01 0.215E-01 RMM: 4 -0.331424447794E+03 0.43036E-03 -0.10040E-03 4821 0.683E-02 0.107E-01 RMM: 5 -0.331424403725E+03 0.44069E-04 -0.14336E-04 3843 0.298E-02 0.904E-02 RMM: 6 -0.331424358346E+03 0.45379E-04 -0.35928E-05 2967 0.179E-02 0.517E-02 RMM: 7 -0.331424368163E+03 -0.98175E-05 -0.26090E-05 2604 0.152E-02 8804 T= 6673. E= 0.67576071E+03 F= 0.62484462E+03 E0= 0.65317964E+03 EK= 0.54343E+02 SP= -.35E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331279234692E+03 0.14512E+00 -0.14326E-01 8616 0.237E+01 0.242E-01 RMM: 2 -0.331300598845E+03 -0.21364E-01 -0.16071E-01 5087 0.868E-01 0.102E+00 RMM: 3 -0.331292580293E+03 0.80186E-02 -0.15748E-02 5772 0.257E-01 0.224E-01 RMM: 4 -0.331292131158E+03 0.44913E-03 -0.11111E-03 5026 0.684E-02 0.101E-01 RMM: 5 -0.331292093195E+03 0.37964E-04 -0.15243E-04 3867 0.308E-02 0.941E-02 RMM: 6 -0.331292041631E+03 0.51563E-04 -0.36895E-05 3003 0.182E-02 0.470E-02 RMM: 7 -0.331292045336E+03 -0.37047E-05 -0.22968E-05 2556 0.151E-02 8805 T= 6642. E= 0.67576015E+03 F= 0.62497694E+03 E0= 0.65329988E+03 EK= 0.54092E+02 SP= -.33E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331335780230E+03 -0.43739E-01 -0.13844E-01 8872 0.237E+01 0.225E-01 RMM: 2 -0.331359043189E+03 -0.23263E-01 -0.16219E-01 5115 0.863E-01 0.112E+00 RMM: 3 -0.331349492814E+03 0.95504E-02 -0.15591E-02 5762 0.248E-01 0.219E-01 RMM: 4 -0.331349044205E+03 0.44861E-03 -0.10997E-03 4792 0.712E-02 0.108E-01 RMM: 5 -0.331348997912E+03 0.46292E-04 -0.16177E-04 3885 0.311E-02 0.926E-02 RMM: 6 -0.331348949313E+03 0.48599E-04 -0.37865E-05 3009 0.182E-02 0.526E-02 RMM: 7 -0.331348953004E+03 -0.36911E-05 -0.23839E-05 2571 0.150E-02 8806 T= 6634. E= 0.67575876E+03 F= 0.62492004E+03 E0= 0.65323636E+03 EK= 0.54024E+02 SP= -.32E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331552346260E+03 -0.20340E+00 -0.14264E-01 8344 0.238E+01 0.258E-01 RMM: 2 -0.331578126541E+03 -0.25780E-01 -0.18397E-01 4989 0.949E-01 0.116E+00 RMM: 3 -0.331568086292E+03 0.10040E-01 -0.19097E-02 5756 0.278E-01 0.261E-01 RMM: 4 -0.331567455452E+03 0.63084E-03 -0.13602E-03 4964 0.775E-02 0.104E-01 RMM: 5 -0.331567415481E+03 0.39971E-04 -0.19052E-04 3970 0.329E-02 0.957E-02 RMM: 6 -0.331567361843E+03 0.53638E-04 -0.38077E-05 2992 0.185E-02 0.495E-02 RMM: 7 -0.331567361363E+03 0.48016E-06 -0.18948E-05 2526 0.138E-02 8807 T= 6645. E= 0.67575633E+03 F= 0.62470163E+03 E0= 0.65301515E+03 EK= 0.54111E+02 SP= -.31E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331888861756E+03 -0.32150E+00 -0.14313E-01 8256 0.238E+01 0.247E-01 RMM: 2 -0.331916378919E+03 -0.27517E-01 -0.18333E-01 5055 0.917E-01 0.126E+00 RMM: 3 -0.331904228726E+03 0.12150E-01 -0.17649E-02 5629 0.271E-01 0.224E-01 RMM: 4 -0.331903771884E+03 0.45684E-03 -0.13183E-03 5015 0.743E-02 0.112E-01 RMM: 5 -0.331903716315E+03 0.55570E-04 -0.17487E-04 3905 0.339E-02 0.918E-02 RMM: 6 -0.331903666445E+03 0.49870E-04 -0.42067E-05 3051 0.189E-02 0.523E-02 RMM: 7 -0.331903666955E+03 -0.51049E-06 -0.21481E-05 2549 0.146E-02 8808 T= 6669. E= 0.67575277E+03 F= 0.62436532E+03 E0= 0.65267795E+03 EK= 0.54309E+02 SP= -.30E+01 SK= 0.37E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332285405274E+03 -0.38174E+00 -0.14289E-01 8768 0.239E+01 0.253E-01 RMM: 2 -0.332310169069E+03 -0.24764E-01 -0.16940E-01 5187 0.862E-01 0.117E+00 RMM: 3 -0.332299168634E+03 0.11000E-01 -0.14918E-02 5602 0.259E-01 0.243E-01 RMM: 4 -0.332298726494E+03 0.44214E-03 -0.12770E-03 4892 0.731E-02 0.114E-01 RMM: 5 -0.332298670651E+03 0.55843E-04 -0.17485E-04 3902 0.339E-02 0.959E-02 RMM: 6 -0.332298613027E+03 0.57624E-04 -0.41288E-05 3048 0.192E-02 0.472E-02 RMM: 7 -0.332298612421E+03 0.60647E-06 -0.22743E-05 2542 0.150E-02 8809 T= 6700. E= 0.67574849E+03 F= 0.62397038E+03 E0= 0.65228255E+03 EK= 0.54557E+02 SP= -.28E+01 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332667878563E+03 -0.36927E+00 -0.15059E-01 8696 0.239E+01 0.230E-01 RMM: 2 -0.332695260738E+03 -0.27382E-01 -0.18481E-01 5131 0.898E-01 0.121E+00 RMM: 3 -0.332683253486E+03 0.12007E-01 -0.16399E-02 5705 0.258E-01 0.207E-01 RMM: 4 -0.332682847175E+03 0.40631E-03 -0.11881E-03 4847 0.732E-02 0.117E-01 RMM: 5 -0.332682783926E+03 0.63248E-04 -0.16733E-04 3892 0.335E-02 0.888E-02 RMM: 6 -0.332682737340E+03 0.46586E-04 -0.40527E-05 3033 0.188E-02 0.487E-02 RMM: 7 -0.332682738223E+03 -0.88322E-06 -0.19351E-05 2526 0.139E-02 8810 T= 6728. E= 0.67574361E+03 F= 0.62358625E+03 E0= 0.65189654E+03 EK= 0.54786E+02 SP= -.27E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332967031453E+03 -0.28429E+00 -0.15699E-01 8776 0.239E+01 0.215E-01 RMM: 2 -0.332989863327E+03 -0.22832E-01 -0.17117E-01 5370 0.847E-01 0.101E+00 RMM: 3 -0.332980971861E+03 0.88915E-02 -0.13082E-02 5706 0.238E-01 0.206E-01 RMM: 4 -0.332980664761E+03 0.30710E-03 -0.10188E-03 4819 0.670E-02 0.113E-01 RMM: 5 -0.332980583743E+03 0.81018E-04 -0.13754E-04 3854 0.292E-02 0.811E-02 RMM: 6 -0.332980549703E+03 0.34039E-04 -0.29950E-05 2761 0.168E-02 0.468E-02 RMM: 7 -0.332980552041E+03 -0.23379E-05 -0.21671E-05 2544 0.142E-02 8811 T= 6744. E= 0.67573863E+03 F= 0.62328844E+03 E0= 0.65159500E+03 EK= 0.54919E+02 SP= -.25E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333102458047E+03 -0.12191E+00 -0.16631E-01 8568 0.239E+01 0.201E-01 RMM: 2 -0.333125895537E+03 -0.23437E-01 -0.19295E-01 5208 0.932E-01 0.883E-01 RMM: 3 -0.333119064140E+03 0.68314E-02 -0.17242E-02 5930 0.255E-01 0.189E-01 RMM: 4 -0.333118671373E+03 0.39277E-03 -0.98104E-04 4806 0.689E-02 0.112E-01 RMM: 5 -0.333118617310E+03 0.54062E-04 -0.15458E-04 3843 0.322E-02 0.879E-02 RMM: 6 -0.333118572510E+03 0.44800E-04 -0.37709E-05 2985 0.184E-02 0.454E-02 RMM: 7 -0.333118579342E+03 -0.68315E-05 -0.22602E-05 2541 0.149E-02 8812 T= 6740. E= 0.67573489E+03 F= 0.62315041E+03 E0= 0.65145218E+03 EK= 0.54883E+02 SP= -.24E+01 SK= 0.57E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333025881666E+03 0.92691E-01 -0.15737E-01 8712 0.238E+01 0.213E-01 RMM: 2 -0.333047763836E+03 -0.21882E-01 -0.17089E-01 5337 0.858E-01 0.949E-01 RMM: 3 -0.333039755621E+03 0.80082E-02 -0.13145E-02 5944 0.236E-01 0.157E-01 RMM: 4 -0.333039575016E+03 0.18061E-03 -0.87053E-04 4818 0.629E-02 0.135E-01 RMM: 5 -0.333039467009E+03 0.10801E-03 -0.13088E-04 3777 0.304E-02 0.745E-02 RMM: 6 -0.333039437543E+03 0.29466E-04 -0.34587E-05 2918 0.178E-02 0.439E-02 RMM: 7 -0.333039444699E+03 -0.71559E-05 -0.26939E-05 2588 0.157E-02 8813 T= 6708. E= 0.67573217E+03 F= 0.62322954E+03 E0= 0.65152548E+03 EK= 0.54622E+02 SP= -.22E+01 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332694687523E+03 0.34475E+00 -0.15623E-01 8808 0.236E+01 0.192E-01 RMM: 2 -0.332714856031E+03 -0.20169E-01 -0.16854E-01 5452 0.844E-01 0.803E-01 RMM: 3 -0.332708467007E+03 0.63890E-02 -0.11940E-02 5965 0.224E-01 0.182E-01 RMM: 4 -0.332708183564E+03 0.28344E-03 -0.78482E-04 4767 0.623E-02 0.114E-01 RMM: 5 -0.332708112900E+03 0.70664E-04 -0.12211E-04 3781 0.295E-02 0.803E-02 RMM: 6 -0.332708076463E+03 0.36436E-04 -0.34350E-05 2936 0.180E-02 0.410E-02 RMM: 7 -0.332708085332E+03 -0.88684E-05 -0.23401E-05 2550 0.148E-02 8814 T= 6644. E= 0.67573186E+03 F= 0.62356090E+03 E0= 0.65185106E+03 EK= 0.54105E+02 SP= -.20E+01 SK= 0.68E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332108539279E+03 0.59954E+00 -0.15017E-01 8808 0.235E+01 0.195E-01 RMM: 2 -0.332128282538E+03 -0.19743E-01 -0.16333E-01 5424 0.836E-01 0.829E-01 RMM: 3 -0.332121731131E+03 0.65514E-02 -0.11583E-02 6007 0.222E-01 0.159E-01 RMM: 4 -0.332121530131E+03 0.20100E-03 -0.72674E-04 4784 0.590E-02 0.117E-01 RMM: 5 -0.332121452005E+03 0.78126E-04 -0.10707E-04 3663 0.274E-02 0.790E-02 RMM: 6 -0.332121417882E+03 0.34123E-04 -0.32647E-05 2861 0.178E-02 0.386E-02 RMM: 7 -0.332121427149E+03 -0.92675E-05 -0.24304E-05 2560 0.146E-02 8815 T= 6549. E= 0.67573358E+03 F= 0.62414756E+03 E0= 0.65243260E+03 EK= 0.53330E+02 SP= -.18E+01 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331294085458E+03 0.82733E+00 -0.14319E-01 8776 0.232E+01 0.185E-01 RMM: 2 -0.331312536085E+03 -0.18451E-01 -0.15661E-01 5513 0.817E-01 0.758E-01 RMM: 3 -0.331306720704E+03 0.58154E-02 -0.10404E-02 6108 0.209E-01 0.165E-01 RMM: 4 -0.331306499365E+03 0.22134E-03 -0.63667E-04 4730 0.571E-02 0.114E-01 RMM: 5 -0.331306425372E+03 0.73993E-04 -0.10456E-04 3648 0.275E-02 0.758E-02 RMM: 6 -0.331306392831E+03 0.32540E-04 -0.31152E-05 2842 0.176E-02 0.397E-02 RMM: 7 -0.331306399500E+03 -0.66689E-05 -0.23109E-05 2541 0.143E-02 8816 T= 6426. E= 0.67573730E+03 F= 0.62496259E+03 E0= 0.65324427E+03 EK= 0.52331E+02 SP= -.16E+01 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330307997621E+03 0.99840E+00 -0.13319E-01 8880 0.230E+01 0.194E-01 RMM: 2 -0.330325829357E+03 -0.17832E-01 -0.14862E-01 5481 0.797E-01 0.797E-01 RMM: 3 -0.330319691238E+03 0.61381E-02 -0.99805E-03 6131 0.206E-01 0.155E-01 RMM: 4 -0.330319509125E+03 0.18211E-03 -0.64100E-04 4747 0.554E-02 0.113E-01 RMM: 5 -0.330319434061E+03 0.75063E-04 -0.95164E-05 3598 0.258E-02 0.779E-02 RMM: 6 -0.330319399991E+03 0.34070E-04 -0.29144E-05 2775 0.169E-02 0.386E-02 RMM: 7 -0.330319404738E+03 -0.47466E-05 -0.26995E-05 2588 0.151E-02 8817 T= 6283. E= 0.67574250E+03 F= 0.62594958E+03 E0= 0.65422935E+03 EK= 0.51168E+02 SP= -.14E+01 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329230960824E+03 0.10884E+01 -0.12610E-01 8896 0.227E+01 0.195E-01 RMM: 2 -0.329249245713E+03 -0.18285E-01 -0.14622E-01 5403 0.804E-01 0.851E-01 RMM: 3 -0.329242803146E+03 0.64426E-02 -0.10800E-02 6062 0.208E-01 0.186E-01 RMM: 4 -0.329242494137E+03 0.30901E-03 -0.70026E-04 4706 0.595E-02 0.106E-01 RMM: 5 -0.329242433086E+03 0.61051E-04 -0.11435E-04 3711 0.276E-02 0.808E-02 RMM: 6 -0.329242394373E+03 0.38713E-04 -0.32126E-05 2867 0.179E-02 0.428E-02 RMM: 7 -0.329242395998E+03 -0.16248E-05 -0.23050E-05 2547 0.140E-02 8818 T= 6131. E= 0.67574881E+03 F= 0.62702659E+03 E0= 0.65530590E+03 EK= 0.49928E+02 SP= -.13E+01 SK= 0.58E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328163421913E+03 0.10790E+01 -0.12023E-01 8832 0.225E+01 0.205E-01 RMM: 2 -0.328182270437E+03 -0.18849E-01 -0.14515E-01 5354 0.809E-01 0.918E-01 RMM: 3 -0.328175127488E+03 0.71429E-02 -0.11573E-02 5940 0.217E-01 0.191E-01 RMM: 4 -0.328174806312E+03 0.32118E-03 -0.77227E-04 4780 0.600E-02 0.995E-02 RMM: 5 -0.328174747634E+03 0.58678E-04 -0.10735E-04 3716 0.268E-02 0.792E-02 RMM: 6 -0.328174713164E+03 0.34470E-04 -0.28043E-05 2749 0.165E-02 0.441E-02 RMM: 7 -0.328174714712E+03 -0.15482E-05 -0.23027E-05 2564 0.142E-02 8819 T= 5982. E= 0.67575595E+03 F= 0.62809427E+03 E0= 0.65637404E+03 EK= 0.48715E+02 SP= -.11E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327216052139E+03 0.95866E+00 -0.11239E-01 8688 0.223E+01 0.219E-01 RMM: 2 -0.327235245735E+03 -0.19194E-01 -0.13788E-01 5300 0.806E-01 0.101E+00 RMM: 3 -0.327227377481E+03 0.78683E-02 -0.12184E-02 5862 0.223E-01 0.215E-01 RMM: 4 -0.327226975752E+03 0.40173E-03 -0.88946E-04 4729 0.647E-02 0.105E-01 RMM: 5 -0.327226923160E+03 0.52592E-04 -0.13258E-04 3843 0.291E-02 0.864E-02 RMM: 6 -0.327226878132E+03 0.45028E-04 -0.33200E-05 2896 0.179E-02 0.481E-02 RMM: 7 -0.327226878726E+03 -0.59432E-06 -0.22544E-05 2552 0.142E-02 8820 T= 5851. E= 0.67576298E+03 F= 0.62904211E+03 E0= 0.65732357E+03 EK= 0.47644E+02 SP= -.96E+00 SK= 0.34E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326501292086E+03 0.72559E+00 -0.10795E-01 8520 0.221E+01 0.229E-01 RMM: 2 -0.326521386872E+03 -0.20095E-01 -0.13497E-01 5213 0.820E-01 0.109E+00 RMM: 3 -0.326512404836E+03 0.89820E-02 -0.12960E-02 5703 0.234E-01 0.220E-01 RMM: 4 -0.326511998674E+03 0.40616E-03 -0.96684E-04 4860 0.656E-02 0.984E-02 RMM: 5 -0.326511953582E+03 0.45092E-04 -0.13204E-04 3862 0.295E-02 0.853E-02 RMM: 6 -0.326511912397E+03 0.41186E-04 -0.31547E-05 2868 0.172E-02 0.474E-02 RMM: 7 -0.326511914668E+03 -0.22711E-05 -0.21510E-05 2551 0.141E-02 8821 T= 5751. E= 0.67577018E+03 F= 0.62975707E+03 E0= 0.65804236E+03 EK= 0.46830E+02 SP= -.84E+00 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326129037185E+03 0.38288E+00 -0.10059E-01 8424 0.220E+01 0.239E-01 RMM: 2 -0.326148354265E+03 -0.19317E-01 -0.11896E-01 5161 0.779E-01 0.115E+00 RMM: 3 -0.326138923654E+03 0.94306E-02 -0.12435E-02 5598 0.234E-01 0.247E-01 RMM: 4 -0.326138451526E+03 0.47213E-03 -0.10658E-03 4751 0.692E-02 0.979E-02 RMM: 5 -0.326138418439E+03 0.33087E-04 -0.15651E-04 3898 0.307E-02 0.880E-02 RMM: 6 -0.326138369132E+03 0.49307E-04 -0.34297E-05 2919 0.181E-02 0.439E-02 RMM: 7 -0.326138371650E+03 -0.25180E-05 -0.19065E-05 2518 0.135E-02 8822 T= 5696. E= 0.67577499E+03 F= 0.63013062E+03 E0= 0.65842273E+03 EK= 0.46383E+02 SP= -.75E+00 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326172577550E+03 -0.34208E-01 -0.92673E-02 8200 0.221E+01 0.220E-01 RMM: 2 -0.326190039600E+03 -0.17462E-01 -0.10681E-01 5153 0.742E-01 0.109E+00 RMM: 3 -0.326181324506E+03 0.87151E-02 -0.10838E-02 5570 0.219E-01 0.213E-01 RMM: 4 -0.326180970276E+03 0.35423E-03 -0.88799E-04 4836 0.618E-02 0.844E-02 RMM: 5 -0.326180944554E+03 0.25722E-04 -0.12155E-04 3830 0.284E-02 0.796E-02 RMM: 6 -0.326180906468E+03 0.38087E-04 -0.29351E-05 2831 0.166E-02 0.407E-02 RMM: 7 -0.326180909342E+03 -0.28741E-05 -0.17227E-05 2507 0.128E-02 8823 T= 5695. E= 0.67577560E+03 F= 0.63008808E+03 E0= 0.65839138E+03 EK= 0.46374E+02 SP= -.69E+00 SK= 0.38E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326644667121E+03 -0.46376E+00 -0.93351E-02 8336 0.222E+01 0.205E-01 RMM: 2 -0.326660215449E+03 -0.15548E-01 -0.97493E-02 5166 0.695E-01 0.102E+00 RMM: 3 -0.326652751794E+03 0.74637E-02 -0.96061E-03 5558 0.206E-01 0.195E-01 RMM: 4 -0.326652456455E+03 0.29534E-03 -0.79011E-04 4782 0.584E-02 0.869E-02 RMM: 5 -0.326652422659E+03 0.33796E-04 -0.10951E-04 3802 0.266E-02 0.734E-02 RMM: 6 -0.326652389103E+03 0.33556E-04 -0.25017E-05 2713 0.154E-02 0.387E-02 RMM: 7 -0.326652392437E+03 -0.33335E-05 -0.18273E-05 2525 0.130E-02 8824 T= 5749. E= 0.67577113E+03 F= 0.62961660E+03 E0= 0.65793580E+03 EK= 0.46816E+02 SP= -.66E+00 SK= 0.38E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327482543081E+03 -0.83015E+00 -0.10663E-01 8672 0.225E+01 0.192E-01 RMM: 2 -0.327498563597E+03 -0.16021E-01 -0.11222E-01 5255 0.729E-01 0.942E-01 RMM: 3 -0.327491899384E+03 0.66642E-02 -0.99141E-03 5678 0.201E-01 0.185E-01 RMM: 4 -0.327491594143E+03 0.30524E-03 -0.74578E-04 4801 0.577E-02 0.890E-02 RMM: 5 -0.327491553163E+03 0.40980E-04 -0.99810E-05 3762 0.253E-02 0.725E-02 RMM: 6 -0.327491525998E+03 0.27165E-04 -0.23592E-05 2632 0.150E-02 0.468E-02 RMM: 7 -0.327491528306E+03 -0.23073E-05 -0.19594E-05 2560 0.131E-02 8825 T= 5851. E= 0.67576265E+03 F= 0.62877746E+03 E0= 0.65711804E+03 EK= 0.47648E+02 SP= -.66E+00 SK= 0.34E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328566449102E+03 -0.10749E+01 -0.13189E-01 9120 0.228E+01 0.180E-01 RMM: 2 -0.328583069955E+03 -0.16621E-01 -0.12531E-01 5683 0.724E-01 0.887E-01 RMM: 3 -0.328576867148E+03 0.62028E-02 -0.81279E-03 5527 0.187E-01 0.160E-01 RMM: 4 -0.328576688217E+03 0.17893E-03 -0.68580E-04 4796 0.524E-02 0.105E-01 RMM: 5 -0.328576615061E+03 0.73156E-04 -0.79429E-05 3588 0.234E-02 0.699E-02 RMM: 6 -0.328576599625E+03 0.15437E-04 -0.20988E-05 2557 0.140E-02 8826 T= 5986. E= 0.67575225E+03 F= 0.62769239E+03 E0= 0.65605939E+03 EK= 0.48746E+02 SP= -.69E+00 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329746449232E+03 -0.11698E+01 -0.17185E-01 9024 0.232E+01 0.221E-01 RMM: 2 -0.329768188250E+03 -0.21739E-01 -0.16127E-01 5626 0.809E-01 0.101E+00 RMM: 3 -0.329759949729E+03 0.82385E-02 -0.11423E-02 5448 0.227E-01 0.245E-01 RMM: 4 -0.329759546486E+03 0.40324E-03 -0.11095E-03 5195 0.629E-02 0.109E-01 RMM: 5 -0.329759484038E+03 0.62448E-04 -0.92575E-05 3768 0.240E-02 0.953E-02 RMM: 6 -0.329759466088E+03 0.17950E-04 -0.18674E-05 2544 0.130E-02 8827 T= 6135. E= 0.67574235E+03 F= 0.62650952E+03 E0= 0.65490674E+03 EK= 0.49961E+02 SP= -.73E+00 SK= 0.55E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.330888308287E+03 -0.11288E+01 -0.22331E-01 9016 0.236E+01 0.449E-01 RMM: 2 -0.330954742724E+03 -0.66434E-01 -0.20498E-01 5371 0.944E-01 0.271E+00 RMM: 3 -0.330903744101E+03 0.50999E-01 -0.27102E-02 5369 0.389E-01 0.386E-01 RMM: 4 -0.330902638551E+03 0.11056E-02 -0.30783E-03 5184 0.105E-01 0.142E-01 RMM: 5 -0.330902528202E+03 0.11035E-03 -0.26850E-04 4182 0.351E-02 0.117E-01 RMM: 6 -0.330902471175E+03 0.57027E-04 -0.34912E-05 2725 0.178E-02 0.921E-02 RMM: 7 -0.330902490708E+03 -0.19533E-04 -0.73790E-05 3536 0.235E-02 8828 T= 6281. E= 0.67573497E+03 F= 0.62536650E+03 E0= 0.65379655E+03 EK= 0.51153E+02 SP= -.79E+00 SK= 0.80E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331885518573E+03 -0.98305E+00 -0.28632E-01 8968 0.238E+01 0.434E-01 RMM: 2 -0.331950120026E+03 -0.64601E-01 -0.23183E-01 5570 0.935E-01 0.257E+00 RMM: 3 -0.331903320791E+03 0.46799E-01 -0.24501E-02 5375 0.363E-01 0.397E-01 RMM: 4 -0.331902257712E+03 0.10631E-02 -0.32263E-03 5218 0.117E-01 0.183E-01 RMM: 5 -0.331902268143E+03 -0.10431E-04 -0.46471E-04 4011 0.498E-02 0.190E-01 RMM: 6 -0.331902020208E+03 0.24793E-03 -0.14907E-04 3880 0.335E-02 0.574E-02 RMM: 7 -0.331902031787E+03 -0.11578E-04 -0.39354E-05 3068 0.173E-02 8829 T= 6412. E= 0.67572945E+03 F= 0.62436696E+03 E0= 0.65283157E+03 EK= 0.52213E+02 SP= -.86E+00 SK= 0.96E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332667083977E+03 -0.76506E+00 -0.38797E-01 9000 0.240E+01 0.341E-01 RMM: 2 -0.332719305149E+03 -0.52221E-01 -0.26442E-01 5684 0.971E-01 0.203E+00 RMM: 3 -0.332688433167E+03 0.30872E-01 -0.21524E-02 5424 0.314E-01 0.297E-01 RMM: 4 -0.332687768456E+03 0.66471E-03 -0.21990E-03 5046 0.886E-02 0.134E-01 RMM: 5 -0.332687669062E+03 0.99394E-04 -0.22340E-04 4039 0.347E-02 0.117E-01 RMM: 6 -0.332687598701E+03 0.70361E-04 -0.51198E-05 3174 0.209E-02 0.751E-02 RMM: 7 -0.332687617625E+03 -0.18924E-04 -0.67760E-05 3488 0.219E-02 8830 T= 6516. E= 0.67572511E+03 F= 0.62358137E+03 E0= 0.65207653E+03 EK= 0.53064E+02 SP= -.93E+00 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333193347214E+03 -0.50575E+00 -0.48999E-01 8984 0.240E+01 0.286E-01 RMM: 2 -0.333232254971E+03 -0.38908E-01 -0.27354E-01 6029 0.980E-01 0.141E+00 RMM: 3 -0.333216649417E+03 0.15606E-01 -0.15970E-02 5438 0.272E-01 0.274E-01 RMM: 4 -0.333216114169E+03 0.53525E-03 -0.15584E-03 4924 0.772E-02 0.119E-01 RMM: 5 -0.333216076782E+03 0.37387E-04 -0.20410E-04 3905 0.361E-02 0.112E-01 RMM: 6 -0.333216003435E+03 0.73347E-04 -0.58364E-05 3308 0.217E-02 0.600E-02 RMM: 7 -0.333216023894E+03 -0.20459E-04 -0.38281E-05 2962 0.184E-02 0.854E-02 RMM: 8 -0.333215991263E+03 0.32631E-04 -0.70360E-05 3522 0.210E-02 0.561E-02 RMM: 9 -0.333215971799E+03 0.19464E-04 -0.19436E-05 2555 0.132E-02 8831 T= 6589. E= 0.67572211E+03 F= 0.62305302E+03 E0= 0.65157726E+03 EK= 0.53660E+02 SP= -.10E+01 SK= 0.94E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333440008780E+03 -0.22402E+00 -0.60188E-01 8936 0.241E+01 0.248E-01 RMM: 2 -0.333477100891E+03 -0.37092E-01 -0.30713E-01 6157 0.106E+00 0.106E+00 RMM: 3 -0.333467077536E+03 0.10023E-01 -0.16454E-02 5587 0.257E-01 0.156E-01 RMM: 4 -0.333467073182E+03 0.43540E-05 -0.12918E-03 4867 0.776E-02 0.227E-01 RMM: 5 -0.333466741982E+03 0.33120E-03 -0.24574E-04 3923 0.390E-02 0.889E-02 RMM: 6 -0.333466709474E+03 0.32507E-04 -0.70698E-05 3469 0.235E-02 0.636E-02 RMM: 7 -0.333466735132E+03 -0.25658E-04 -0.68267E-05 3501 0.208E-02 0.974E-02 RMM: 8 -0.333466674835E+03 0.60298E-04 -0.56126E-05 3320 0.207E-02 0.269E-02 RMM: 9 -0.333466681810E+03 -0.69750E-05 -0.17838E-05 2513 0.122E-02 8832 T= 6628. E= 0.67572124E+03 F= 0.62280231E+03 E0= 0.65135023E+03 EK= 0.53978E+02 SP= -.11E+01 SK= 0.83E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333417805294E+03 0.48870E-01 -0.66102E-01 8928 0.241E+01 0.257E-01 RMM: 2 -0.333452586733E+03 -0.34781E-01 -0.29509E-01 6270 0.104E+00 0.101E+00 RMM: 3 -0.333444084823E+03 0.85019E-02 -0.13353E-02 5561 0.248E-01 0.206E-01 RMM: 4 -0.333443854078E+03 0.23075E-03 -0.11391E-03 4820 0.709E-02 0.155E-01 RMM: 5 -0.333443700275E+03 0.15380E-03 -0.17422E-04 3947 0.328E-02 0.816E-02 RMM: 6 -0.333443678761E+03 0.21514E-04 -0.44165E-05 3084 0.193E-02 0.645E-02 RMM: 7 -0.333443712036E+03 -0.33276E-04 -0.83844E-05 3710 0.235E-02 0.970E-02 RMM: 8 -0.333443651778E+03 0.60258E-04 -0.50684E-05 3191 0.201E-02 0.267E-02 RMM: 9 -0.333443652179E+03 -0.40061E-06 -0.12788E-05 2484 0.103E-02 8833 T= 6633. E= 0.67572190E+03 F= 0.62282534E+03 E0= 0.65139173E+03 EK= 0.54019E+02 SP= -.11E+01 SK= 0.71E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333158422621E+03 0.28523E+00 -0.68240E-01 8952 0.240E+01 0.226E-01 RMM: 2 -0.333190059182E+03 -0.31637E-01 -0.28453E-01 6623 0.104E+00 0.808E-01 RMM: 3 -0.333184784535E+03 0.52746E-02 -0.10895E-02 5576 0.223E-01 0.186E-01 RMM: 4 -0.333184691621E+03 0.92914E-04 -0.92665E-04 4798 0.676E-02 0.181E-01 RMM: 5 -0.333184494215E+03 0.19741E-03 -0.17791E-04 3938 0.333E-02 0.964E-02 RMM: 6 -0.333184455559E+03 0.38657E-04 -0.66853E-05 3408 0.237E-02 0.637E-02 RMM: 7 -0.333184508389E+03 -0.52831E-04 -0.75102E-05 3640 0.226E-02 0.109E-01 RMM: 8 -0.333184431621E+03 0.76768E-04 -0.46580E-05 3119 0.196E-02 0.260E-02 RMM: 9 -0.333184432760E+03 -0.11383E-05 -0.13752E-05 2488 0.108E-02 8834 T= 6609. E= 0.67572612E+03 F= 0.62308456E+03 E0= 0.65166352E+03 EK= 0.53822E+02 SP= -.12E+01 SK= 0.60E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332757488769E+03 0.42694E+00 -0.64777E-01 8936 0.239E+01 0.243E-01 RMM: 2 -0.332791980462E+03 -0.34492E-01 -0.28084E-01 6412 0.106E+00 0.106E+00 RMM: 3 -0.332783048380E+03 0.89321E-02 -0.13453E-02 5592 0.241E-01 0.169E-01 RMM: 4 -0.332782918255E+03 0.13012E-03 -0.10697E-03 4851 0.708E-02 0.178E-01 RMM: 5 -0.332782749061E+03 0.16919E-03 -0.19140E-04 3920 0.353E-02 0.103E-01 RMM: 6 -0.332782704429E+03 0.44631E-04 -0.63911E-05 3367 0.228E-02 0.703E-02 RMM: 7 -0.332782752071E+03 -0.47642E-04 -0.98755E-05 3850 0.260E-02 0.108E-01 RMM: 8 -0.332782681243E+03 0.70828E-04 -0.47951E-05 3184 0.202E-02 0.310E-02 RMM: 9 -0.332782681716E+03 -0.47228E-06 -0.14358E-05 2494 0.111E-02 8835 T= 6568. E= 0.67573645E+03 F= 0.62348631E+03 E0= 0.65207126E+03 EK= 0.53484E+02 SP= -.12E+01 SK= 0.53E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332380782349E+03 0.40190E+00 -0.56008E-01 8928 0.237E+01 0.271E-01 RMM: 2 -0.332413803544E+03 -0.33021E-01 -0.27953E-01 6050 0.109E+00 0.984E-01 RMM: 3 -0.332405795349E+03 0.80082E-02 -0.16973E-02 5588 0.270E-01 0.195E-01 RMM: 4 -0.332405534898E+03 0.26045E-03 -0.13131E-03 4991 0.736E-02 0.169E-01 RMM: 5 -0.332405393249E+03 0.14165E-03 -0.19229E-04 3967 0.352E-02 0.108E-01 RMM: 6 -0.332405338903E+03 0.54346E-04 -0.70241E-05 3446 0.240E-02 0.695E-02 RMM: 7 -0.332405389690E+03 -0.50787E-04 -0.10547E-04 3874 0.265E-02 0.110E-01 RMM: 8 -0.332405319315E+03 0.70375E-04 -0.63233E-05 3392 0.226E-02 0.395E-02 RMM: 9 -0.332405316103E+03 0.32124E-05 -0.17226E-05 2529 0.122E-02 8836 T= 6529. E= 0.67574988E+03 F= 0.62386367E+03 E0= 0.65244844E+03 EK= 0.53170E+02 SP= -.13E+01 SK= 0.49E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332232393135E+03 0.17293E+00 -0.42943E-01 8976 0.234E+01 0.289E-01 RMM: 2 -0.332268208924E+03 -0.35816E-01 -0.25721E-01 5962 0.104E+00 0.130E+00 RMM: 3 -0.332254980165E+03 0.13229E-01 -0.15839E-02 5555 0.268E-01 0.266E-01 RMM: 4 -0.332254491274E+03 0.48889E-03 -0.14868E-03 4859 0.814E-02 0.154E-01 RMM: 5 -0.332254399479E+03 0.91795E-04 -0.22715E-04 3976 0.358E-02 0.116E-01 RMM: 6 -0.332254330925E+03 0.68553E-04 -0.58570E-05 3299 0.224E-02 0.689E-02 RMM: 7 -0.332254365818E+03 -0.34892E-04 -0.69459E-05 3535 0.222E-02 0.102E-01 RMM: 8 -0.332254317278E+03 0.48540E-04 -0.86673E-05 3856 0.237E-02 0.528E-02 RMM: 9 -0.332254303792E+03 0.13486E-04 -0.20564E-05 2575 0.134E-02 8837 T= 6518. E= 0.67575882E+03 F= 0.62401469E+03 E0= 0.65259384E+03 EK= 0.53077E+02 SP= -.13E+01 SK= 0.47E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332445549957E+03 -0.19123E+00 -0.30543E-01 9000 0.233E+01 0.252E-01 RMM: 2 -0.332476373742E+03 -0.30824E-01 -0.23918E-01 5701 0.100E+00 0.109E+00 RMM: 3 -0.332466652503E+03 0.97212E-02 -0.15956E-02 5619 0.260E-01 0.250E-01 RMM: 4 -0.332466158711E+03 0.49379E-03 -0.13080E-03 4813 0.780E-02 0.135E-01 RMM: 5 -0.332466071505E+03 0.87206E-04 -0.20188E-04 4042 0.327E-02 0.985E-02 RMM: 6 -0.332466023793E+03 0.47712E-04 -0.46603E-05 3115 0.205E-02 0.606E-02 RMM: 7 -0.332466062659E+03 -0.38867E-04 -0.54819E-05 3254 0.197E-02 0.103E-01 RMM: 8 -0.332466005650E+03 0.57009E-04 -0.71492E-05 3708 0.218E-02 0.445E-02 RMM: 9 -0.332465996369E+03 0.92807E-05 -0.19849E-05 2537 0.129E-02 8838 T= 6550. E= 0.67575731E+03 F= 0.62380299E+03 E0= 0.65237344E+03 EK= 0.53336E+02 SP= -.14E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333006801417E+03 -0.54080E+00 -0.22836E-01 9048 0.233E+01 0.227E-01 RMM: 2 -0.333035452601E+03 -0.28651E-01 -0.21798E-01 5788 0.905E-01 0.110E+00 RMM: 3 -0.333024844296E+03 0.10608E-01 -0.12254E-02 5603 0.230E-01 0.194E-01 RMM: 4 -0.333024633498E+03 0.21080E-03 -0.11576E-03 4866 0.712E-02 0.147E-01 RMM: 5 -0.333024504646E+03 0.12885E-03 -0.16888E-04 3906 0.316E-02 0.840E-02 RMM: 6 -0.333024473334E+03 0.31312E-04 -0.33706E-05 2895 0.175E-02 0.587E-02 RMM: 7 -0.333024482196E+03 -0.88616E-05 -0.56843E-05 3291 0.200E-02 8839 T= 6622. E= 0.67574492E+03 F= 0.62324451E+03 E0= 0.65180510E+03 EK= 0.53929E+02 SP= -.14E+01 SK= 0.39E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333744177079E+03 -0.71970E+00 -0.23013E-01 9056 0.234E+01 0.220E-01 RMM: 2 -0.333773444072E+03 -0.29267E-01 -0.25206E-01 5668 0.988E-01 0.881E-01 RMM: 3 -0.333765360274E+03 0.80838E-02 -0.16014E-02 5716 0.248E-01 0.220E-01 RMM: 4 -0.333764982334E+03 0.37794E-03 -0.11983E-03 4922 0.719E-02 0.145E-01 RMM: 5 -0.333764856521E+03 0.12581E-03 -0.16700E-04 3935 0.314E-02 0.941E-02 RMM: 6 -0.333764832656E+03 0.23866E-04 -0.37936E-05 2948 0.185E-02 0.788E-02 RMM: 7 -0.333764854902E+03 -0.22246E-04 -0.86729E-05 3766 0.229E-02 0.105E-01 RMM: 8 -0.333764792430E+03 0.62472E-04 -0.88920E-05 3880 0.234E-02 0.439E-02 RMM: 9 -0.333764794407E+03 -0.19768E-05 -0.26279E-05 2663 0.146E-02 8840 T= 6717. E= 0.67572987E+03 F= 0.62250419E+03 E0= 0.65105522E+03 EK= 0.54697E+02 SP= -.15E+01 SK= 0.28E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334452481009E+03 -0.68769E+00 -0.27379E-01 9048 0.236E+01 0.334E-01 RMM: 2 -0.334491291687E+03 -0.38811E-01 -0.29038E-01 5518 0.108E+00 0.134E+00 RMM: 3 -0.334476660756E+03 0.14631E-01 -0.21788E-02 5757 0.293E-01 0.322E-01 RMM: 4 -0.334475906606E+03 0.75415E-03 -0.20148E-03 4925 0.973E-02 0.206E-01 RMM: 5 -0.334475680279E+03 0.22633E-03 -0.35408E-04 4014 0.462E-02 0.133E-01 RMM: 6 -0.334475580291E+03 0.99987E-04 -0.96001E-05 3705 0.278E-02 0.668E-02 RMM: 7 -0.334475593938E+03 -0.13646E-04 -0.52425E-05 3170 0.196E-02 8841 T= 6807. E= 0.67571943E+03 F= 0.62179340E+03 E0= 0.65033573E+03 EK= 0.55432E+02 SP= -.15E+01 SK= 0.15E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334983983207E+03 -0.50840E+00 -0.31934E-01 9056 0.238E+01 0.283E-01 RMM: 2 -0.335021413012E+03 -0.37430E-01 -0.29167E-01 6083 0.105E+00 0.121E+00 RMM: 3 -0.335008930397E+03 0.12483E-01 -0.16215E-02 5656 0.260E-01 0.301E-01 RMM: 4 -0.335008361721E+03 0.56868E-03 -0.15133E-03 4828 0.787E-02 0.155E-01 RMM: 5 -0.335008239259E+03 0.12246E-03 -0.20330E-04 4266 0.317E-02 0.118E-01 RMM: 6 -0.335008230738E+03 0.85209E-05 -0.46504E-05 3090 0.199E-02 8842 T= 6875. E= 0.67571659E+03 F= 0.62126076E+03 E0= 0.64979462E+03 EK= 0.55984E+02 SP= -.15E+01 SK= 0.42E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335299253648E+03 -0.29101E+00 -0.36470E-01 8936 0.238E+01 0.426E-01 RMM: 2 -0.335360346671E+03 -0.61093E-01 -0.32300E-01 5919 0.109E+00 0.218E+00 RMM: 3 -0.335325462204E+03 0.34884E-01 -0.25004E-02 5374 0.363E-01 0.400E-01 RMM: 4 -0.335324382402E+03 0.10798E-02 -0.29015E-03 5241 0.102E-01 0.152E-01 RMM: 5 -0.335324278240E+03 0.10416E-03 -0.29183E-04 4419 0.358E-02 0.131E-01 RMM: 6 -0.335324230383E+03 0.47857E-04 -0.63306E-05 3365 0.225E-02 0.104E-01 RMM: 7 -0.335324323942E+03 -0.93559E-04 -0.11874E-04 3877 0.280E-02 0.150E-01 RMM: 8 -0.335324219271E+03 0.10467E-03 -0.20259E-04 3904 0.303E-02 0.749E-02 RMM: 9 -0.335324190299E+03 0.28972E-04 -0.48071E-05 3171 0.191E-02 0.359E-02 RMM: 10 -0.335324193040E+03 -0.27405E-05 -0.15769E-05 2522 0.133E-02 8843 T= 6915. E= 0.67571978E+03 F= 0.62094480E+03 E0= 0.64947275E+03 EK= 0.56311E+02 SP= -.15E+01 SK= 0.10E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.335444135198E+03 -0.11994E+00 -0.42758E-01 8888 0.237E+01 0.455E-01 RMM: 2 -0.335507177754E+03 -0.63043E-01 -0.35628E-01 5649 0.113E+00 0.213E+00 RMM: 3 -0.335473596437E+03 0.33581E-01 -0.27224E-02 5419 0.363E-01 0.435E-01 RMM: 4 -0.335472444104E+03 0.11523E-02 -0.36598E-03 5337 0.128E-01 0.235E-01 RMM: 5 -0.335472284728E+03 0.15938E-03 -0.56728E-04 4437 0.564E-02 0.180E-01 RMM: 6 -0.335472098074E+03 0.18665E-03 -0.16050E-04 3880 0.322E-02 0.799E-02 RMM: 7 -0.335472176751E+03 -0.78677E-04 -0.11141E-04 3865 0.264E-02 0.125E-01 RMM: 8 -0.335472120583E+03 0.56168E-04 -0.10353E-04 3871 0.267E-02 0.623E-02 RMM: 9 -0.335472101427E+03 0.19157E-04 -0.27529E-05 2738 0.153E-02 8844 T= 6933. E= 0.67572587E+03 F= 0.62079689E+03 E0= 0.64931609E+03 EK= 0.56456E+02 SP= -.15E+01 SK= 0.58E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.335514710692E+03 -0.42590E-01 -0.48051E-01 8840 0.236E+01 0.311E-01 RMM: 2 -0.335561805936E+03 -0.47095E-01 -0.35809E-01 6103 0.113E+00 0.140E+00 RMM: 3 -0.335545570380E+03 0.16236E-01 -0.18238E-02 5642 0.286E-01 0.310E-01 RMM: 4 -0.335544854852E+03 0.71553E-03 -0.17565E-03 4919 0.875E-02 0.139E-01 RMM: 5 -0.335544781075E+03 0.73777E-04 -0.25160E-04 4295 0.344E-02 0.113E-01 RMM: 6 -0.335544717198E+03 0.63877E-04 -0.50991E-05 3197 0.209E-02 0.679E-02 RMM: 7 -0.335544754152E+03 -0.36954E-04 -0.66289E-05 3513 0.218E-02 0.101E-01 RMM: 8 -0.335544700226E+03 0.53926E-04 -0.91163E-05 3856 0.216E-02 0.491E-02 RMM: 9 -0.335544687893E+03 0.12333E-04 -0.21136E-05 2576 0.131E-02 8845 T= 6939. E= 0.67573144E+03 F= 0.62072430E+03 E0= 0.64923431E+03 EK= 0.56507E+02 SP= -.15E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335603468108E+03 -0.58768E-01 -0.50122E-01 8848 0.236E+01 0.277E-01 RMM: 2 -0.335647730089E+03 -0.44262E-01 -0.35606E-01 6538 0.112E+00 0.122E+00 RMM: 3 -0.335635024357E+03 0.12706E-01 -0.14953E-02 5525 0.265E-01 0.231E-01 RMM: 4 -0.335634736860E+03 0.28750E-03 -0.14284E-03 4884 0.787E-02 0.165E-01 RMM: 5 -0.335634600768E+03 0.13609E-03 -0.21902E-04 3967 0.357E-02 0.110E-01 RMM: 6 -0.335634538094E+03 0.62674E-04 -0.57423E-05 3276 0.219E-02 0.629E-02 RMM: 7 -0.335634576097E+03 -0.38003E-04 -0.65721E-05 3514 0.220E-02 0.965E-02 RMM: 8 -0.335634522354E+03 0.53743E-04 -0.72473E-05 3672 0.212E-02 0.372E-02 RMM: 9 -0.335634517579E+03 0.47747E-05 -0.14922E-05 2511 0.110E-02 8846 T= 6945. E= 0.67573428E+03 F= 0.62063447E+03 E0= 0.64913499E+03 EK= 0.56555E+02 SP= -.15E+01 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335766755020E+03 -0.13223E+00 -0.48951E-01 8896 0.236E+01 0.266E-01 RMM: 2 -0.335810454937E+03 -0.43700E-01 -0.35677E-01 6469 0.112E+00 0.118E+00 RMM: 3 -0.335798352359E+03 0.12103E-01 -0.14803E-02 5526 0.261E-01 0.224E-01 RMM: 4 -0.335798079332E+03 0.27303E-03 -0.14332E-03 4940 0.787E-02 0.171E-01 RMM: 5 -0.335797941697E+03 0.13764E-03 -0.21219E-04 3969 0.349E-02 0.113E-01 RMM: 6 -0.335797872968E+03 0.68729E-04 -0.57389E-05 3275 0.222E-02 0.590E-02 RMM: 7 -0.335797918478E+03 -0.45511E-04 -0.75478E-05 3647 0.231E-02 0.979E-02 RMM: 8 -0.335797863865E+03 0.54613E-04 -0.56180E-05 3261 0.200E-02 0.357E-02 RMM: 9 -0.335797860462E+03 0.34028E-05 -0.16221E-05 2503 0.116E-02 8847 T= 6957. E= 0.67573299E+03 F= 0.62047113E+03 E0= 0.64896220E+03 EK= 0.56654E+02 SP= -.14E+01 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336004535181E+03 -0.20667E+00 -0.47595E-01 8896 0.238E+01 0.241E-01 RMM: 2 -0.336044737251E+03 -0.40202E-01 -0.35731E-01 6258 0.113E+00 0.927E-01 RMM: 3 -0.336035980006E+03 0.87572E-02 -0.15260E-02 5648 0.258E-01 0.186E-01 RMM: 4 -0.336035812926E+03 0.16708E-03 -0.12536E-03 4921 0.744E-02 0.174E-01 RMM: 5 -0.336035623004E+03 0.18992E-03 -0.19374E-04 3969 0.342E-02 0.886E-02 RMM: 6 -0.336035588615E+03 0.34389E-04 -0.44135E-05 3067 0.195E-02 0.575E-02 RMM: 7 -0.336035615374E+03 -0.26760E-04 -0.48647E-05 3137 0.198E-02 0.852E-02 RMM: 8 -0.336035570671E+03 0.44703E-04 -0.45884E-05 2998 0.188E-02 0.307E-02 RMM: 9 -0.336035572417E+03 -0.17459E-05 -0.17943E-05 2503 0.120E-02 8848 T= 6976. E= 0.67572842E+03 F= 0.62023342E+03 E0= 0.64871552E+03 EK= 0.56805E+02 SP= -.13E+01 SK= 0.15E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336271913169E+03 -0.23634E+00 -0.43482E-01 8928 0.239E+01 0.223E-01 RMM: 2 -0.336308290520E+03 -0.36377E-01 -0.32366E-01 6676 0.106E+00 0.899E-01 RMM: 3 -0.336300565267E+03 0.77253E-02 -0.10751E-02 5597 0.225E-01 0.179E-01 RMM: 4 -0.336300475776E+03 0.89491E-04 -0.10573E-03 4845 0.685E-02 0.176E-01 RMM: 5 -0.336300281816E+03 0.19396E-03 -0.17492E-04 3920 0.333E-02 0.835E-02 RMM: 6 -0.336300253777E+03 0.28039E-04 -0.37524E-05 2958 0.185E-02 0.592E-02 RMM: 7 -0.336300267409E+03 -0.13632E-04 -0.51520E-05 3164 0.197E-02 8849 T= 6995. E= 0.67572172E+03 F= 0.61996872E+03 E0= 0.64844196E+03 EK= 0.56961E+02 SP= -.12E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336491936497E+03 -0.19168E+00 -0.40380E-01 8952 0.241E+01 0.192E-01 RMM: 2 -0.336524791743E+03 -0.32855E-01 -0.31100E-01 6607 0.106E+00 0.669E-01 RMM: 3 -0.336519699636E+03 0.50921E-02 -0.10664E-02 5675 0.217E-01 0.176E-01 RMM: 4 -0.336519541420E+03 0.15822E-03 -0.84551E-04 4897 0.598E-02 0.142E-01 RMM: 5 -0.336519417390E+03 0.12403E-03 -0.12309E-04 3878 0.284E-02 0.829E-02 RMM: 6 -0.336519420056E+03 -0.26661E-05 -0.36478E-05 2912 0.176E-02 8850 T= 7006. E= 0.67571583E+03 F= 0.61974957E+03 E0= 0.64821399E+03 EK= 0.57052E+02 SP= -.11E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336602826386E+03 -0.83409E-01 -0.37185E-01 8864 0.243E+01 0.323E-01 RMM: 2 -0.336649765512E+03 -0.46939E-01 -0.30461E-01 6277 0.106E+00 0.165E+00 RMM: 3 -0.336628878182E+03 0.20887E-01 -0.16705E-02 5410 0.299E-01 0.285E-01 RMM: 4 -0.336628382355E+03 0.49583E-03 -0.17786E-03 5063 0.792E-02 0.131E-01 RMM: 5 -0.336628310031E+03 0.72323E-04 -0.18260E-04 4042 0.329E-02 0.108E-01 RMM: 6 -0.336628267175E+03 0.42857E-04 -0.45639E-05 3093 0.197E-02 0.779E-02 RMM: 7 -0.336628313697E+03 -0.46522E-04 -0.65474E-05 3500 0.223E-02 0.110E-01 RMM: 8 -0.336628256380E+03 0.57317E-04 -0.93954E-05 3851 0.225E-02 0.528E-02 RMM: 9 -0.336628246754E+03 0.96256E-05 -0.25586E-05 2661 0.144E-02 8851 T= 7001. E= 0.67571205E+03 F= 0.61964074E+03 E0= 0.64809564E+03 EK= 0.57014E+02 SP= -.98E+00 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336561338294E+03 0.66918E-01 -0.33869E-01 8896 0.244E+01 0.326E-01 RMM: 2 -0.336602392367E+03 -0.41054E-01 -0.28993E-01 6178 0.104E+00 0.144E+00 RMM: 3 -0.336586254830E+03 0.16138E-01 -0.15074E-02 5414 0.285E-01 0.336E-01 RMM: 4 -0.336585608470E+03 0.64636E-03 -0.19460E-03 4956 0.943E-02 0.176E-01 RMM: 5 -0.336585515540E+03 0.92930E-04 -0.29426E-04 3914 0.426E-02 0.142E-01 RMM: 6 -0.336585392065E+03 0.12348E-03 -0.83876E-05 3566 0.261E-02 0.536E-02 RMM: 7 -0.336585417831E+03 -0.25766E-04 -0.44848E-05 3092 0.187E-02 0.804E-02 RMM: 8 -0.336585391061E+03 0.26769E-04 -0.46718E-05 2975 0.198E-02 0.402E-02 RMM: 9 -0.336585388427E+03 0.26344E-05 -0.19625E-05 2516 0.130E-02 8852 T= 6976. E= 0.67571001E+03 F= 0.61968360E+03 E0= 0.64812886E+03 EK= 0.56805E+02 SP= -.83E+00 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336348569593E+03 0.23682E+00 -0.29704E-01 8800 0.244E+01 0.273E-01 RMM: 2 -0.336386990635E+03 -0.38421E-01 -0.25932E-01 6120 0.990E-01 0.141E+00 RMM: 3 -0.336370787313E+03 0.16203E-01 -0.12940E-02 5430 0.261E-01 0.247E-01 RMM: 4 -0.336370416567E+03 0.37075E-03 -0.13876E-03 4883 0.745E-02 0.118E-01 RMM: 5 -0.336370334849E+03 0.81719E-04 -0.16591E-04 4197 0.306E-02 0.932E-02 RMM: 6 -0.336370289783E+03 0.45066E-04 -0.35373E-05 2920 0.177E-02 0.618E-02 RMM: 7 -0.336370298138E+03 -0.83552E-05 -0.47415E-05 3115 0.196E-02 8853 T= 6927. E= 0.67570832E+03 F= 0.61989869E+03 E0= 0.64833329E+03 EK= 0.56406E+02 SP= -.66E+00 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335956346593E+03 0.41394E+00 -0.25731E-01 8888 0.244E+01 0.216E-01 RMM: 2 -0.335984486868E+03 -0.28140E-01 -0.23607E-01 5965 0.951E-01 0.928E-01 RMM: 3 -0.335976711468E+03 0.77754E-02 -0.12249E-02 5712 0.238E-01 0.237E-01 RMM: 4 -0.335976253141E+03 0.45833E-03 -0.96876E-04 4892 0.645E-02 0.103E-01 RMM: 5 -0.335976192864E+03 0.60278E-04 -0.11682E-04 3984 0.274E-02 0.856E-02 RMM: 6 -0.335976170232E+03 0.22632E-04 -0.28430E-05 2645 0.161E-02 0.732E-02 RMM: 7 -0.335976191793E+03 -0.21561E-04 -0.69522E-05 3512 0.218E-02 0.104E-01 RMM: 8 -0.335976120182E+03 0.71611E-04 -0.10075E-04 3875 0.234E-02 0.442E-02 RMM: 9 -0.335976113119E+03 0.70628E-05 -0.22152E-05 2621 0.127E-02 8854 T= 6854. E= 0.67570735E+03 F= 0.62029288E+03 E0= 0.64871695E+03 EK= 0.55813E+02 SP= -.47E+00 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335390107361E+03 0.58601E+00 -0.24184E-01 9024 0.244E+01 0.239E-01 RMM: 2 -0.335420458509E+03 -0.30351E-01 -0.23548E-01 5389 0.999E-01 0.110E+00 RMM: 3 -0.335410194941E+03 0.10264E-01 -0.16115E-02 5769 0.261E-01 0.169E-01 RMM: 4 -0.335410046696E+03 0.14824E-03 -0.11837E-03 4851 0.750E-02 0.189E-01 RMM: 5 -0.335409814184E+03 0.23251E-03 -0.19280E-04 3899 0.357E-02 0.789E-02 RMM: 6 -0.335409784312E+03 0.29872E-04 -0.47775E-05 3130 0.198E-02 0.573E-02 RMM: 7 -0.335409793874E+03 -0.95626E-05 -0.42468E-05 2894 0.192E-02 8855 T= 6759. E= 0.67570847E+03 F= 0.62085920E+03 E0= 0.64927248E+03 EK= 0.55038E+02 SP= -.27E+00 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334688215222E+03 0.72157E+00 -0.20291E-01 8928 0.243E+01 0.198E-01 RMM: 2 -0.334711610991E+03 -0.23396E-01 -0.19697E-01 5585 0.894E-01 0.852E-01 RMM: 3 -0.334704885760E+03 0.67252E-02 -0.12530E-02 5831 0.228E-01 0.204E-01 RMM: 4 -0.334704512598E+03 0.37316E-03 -0.84325E-04 4908 0.609E-02 0.104E-01 RMM: 5 -0.334704453327E+03 0.59270E-04 -0.95421E-05 3769 0.255E-02 0.860E-02 RMM: 6 -0.334704434607E+03 0.18721E-04 -0.27389E-05 2586 0.159E-02 8856 T= 6646. E= 0.67571273E+03 F= 0.62156455E+03 E0= 0.64996702E+03 EK= 0.54120E+02 SP= -.63E-01 SK= 0.91E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333918460368E+03 0.78599E+00 -0.18221E-01 8768 0.241E+01 0.312E-01 RMM: 2 -0.333953376451E+03 -0.34916E-01 -0.18522E-01 5390 0.886E-01 0.165E+00 RMM: 3 -0.333933207985E+03 0.20168E-01 -0.16361E-02 5398 0.290E-01 0.279E-01 RMM: 4 -0.333932677415E+03 0.53057E-03 -0.17079E-03 5163 0.773E-02 0.124E-01 RMM: 5 -0.333932589441E+03 0.87974E-04 -0.13912E-04 3844 0.309E-02 0.103E-01 RMM: 6 -0.333932554529E+03 0.34912E-04 -0.34371E-05 2804 0.171E-02 0.905E-02 RMM: 7 -0.333932603775E+03 -0.49246E-04 -0.12002E-04 3888 0.291E-02 0.130E-01 RMM: 8 -0.333932495753E+03 0.10802E-03 -0.20720E-04 3925 0.288E-02 0.607E-02 RMM: 9 -0.333932472034E+03 0.23719E-04 -0.29692E-05 2745 0.154E-02 0.248E-02 RMM: 10 -0.333932478346E+03 -0.63126E-05 -0.11223E-05 2477 0.107E-02 8857 T= 6525. E= 0.67571993E+03 F= 0.62233651E+03 E0= 0.65072843E+03 EK= 0.53137E+02 SP= 0.15E+00 SK= 0.94E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333176914535E+03 0.75556E+00 -0.16864E-01 8576 0.239E+01 0.382E-01 RMM: 2 -0.333211297462E+03 -0.34383E-01 -0.18631E-01 5046 0.911E-01 0.163E+00 RMM: 3 -0.333191893733E+03 0.19404E-01 -0.21218E-02 5472 0.323E-01 0.395E-01 RMM: 4 -0.333190862855E+03 0.10309E-02 -0.25000E-03 5186 0.108E-01 0.176E-01 RMM: 5 -0.333190839526E+03 0.23329E-04 -0.38649E-04 3928 0.466E-02 0.177E-01 RMM: 6 -0.333190630116E+03 0.20941E-03 -0.11899E-04 3856 0.308E-02 0.513E-02 RMM: 7 -0.333190640287E+03 -0.10171E-04 -0.36536E-05 2977 0.165E-02 8858 T= 6408. E= 0.67572609E+03 F= 0.62307835E+03 E0= 0.65146111E+03 EK= 0.52186E+02 SP= 0.37E+00 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332539083474E+03 0.65155E+00 -0.15187E-01 8656 0.236E+01 0.222E-01 RMM: 2 -0.332561668762E+03 -0.22585E-01 -0.15750E-01 5337 0.807E-01 0.110E+00 RMM: 3 -0.332551726489E+03 0.99423E-02 -0.12491E-02 5645 0.230E-01 0.215E-01 RMM: 4 -0.332551351071E+03 0.37542E-03 -0.10004E-03 4878 0.649E-02 0.105E-01 RMM: 5 -0.332551293916E+03 0.57155E-04 -0.11267E-04 3904 0.258E-02 0.833E-02 RMM: 6 -0.332551269950E+03 0.23966E-04 -0.25462E-05 2630 0.153E-02 0.683E-02 RMM: 7 -0.332551302797E+03 -0.32848E-04 -0.51960E-05 3210 0.195E-02 0.106E-01 RMM: 8 -0.332551228863E+03 0.73935E-04 -0.11171E-04 3892 0.242E-02 0.361E-02 RMM: 9 -0.332551225658E+03 0.32046E-05 -0.19991E-05 2601 0.125E-02 8859 T= 6305. E= 0.67572851E+03 F= 0.62371776E+03 E0= 0.65209340E+03 EK= 0.51340E+02 SP= 0.58E+00 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332016471814E+03 0.53476E+00 -0.15719E-01 8800 0.235E+01 0.211E-01 RMM: 2 -0.332038558103E+03 -0.22086E-01 -0.16487E-01 5106 0.823E-01 0.100E+00 RMM: 3 -0.332029825573E+03 0.87325E-02 -0.13921E-02 5615 0.237E-01 0.169E-01 RMM: 4 -0.332029661499E+03 0.16407E-03 -0.10574E-03 4785 0.702E-02 0.161E-01 RMM: 5 -0.332029485992E+03 0.17551E-03 -0.15817E-04 3909 0.312E-02 0.822E-02 RMM: 6 -0.332029448863E+03 0.37129E-04 -0.31186E-05 2792 0.170E-02 0.460E-02 RMM: 7 -0.332029444268E+03 0.45946E-05 -0.32181E-05 2650 0.167E-02 8860 T= 6216. E= 0.67572649E+03 F= 0.62423955E+03 E0= 0.65261169E+03 EK= 0.50618E+02 SP= 0.79E+00 SK= 0.81E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331570262608E+03 0.45919E+00 -0.17211E-01 9072 0.233E+01 0.171E-01 RMM: 2 -0.331589063454E+03 -0.18801E-01 -0.16671E-01 5371 0.829E-01 0.695E-01 RMM: 3 -0.331584367041E+03 0.46964E-02 -0.12637E-02 5908 0.213E-01 0.168E-01 RMM: 4 -0.331584059215E+03 0.30783E-03 -0.70695E-04 4832 0.556E-02 0.103E-01 RMM: 5 -0.331583996032E+03 0.63183E-04 -0.80310E-05 3683 0.232E-02 0.791E-02 RMM: 6 -0.331583987077E+03 0.89548E-05 -0.22182E-05 2559 0.143E-02 8861 T= 6138. E= 0.67572279E+03 F= 0.62468500E+03 E0= 0.65305817E+03 EK= 0.49984E+02 SP= 0.98E+00 SK= 0.71E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331131896684E+03 0.45210E+00 -0.20481E-01 8944 0.232E+01 0.335E-01 RMM: 2 -0.331174305121E+03 -0.42408E-01 -0.21325E-01 5085 0.974E-01 0.184E+00 RMM: 3 -0.331149430004E+03 0.24875E-01 -0.22654E-02 5456 0.327E-01 0.277E-01 RMM: 4 -0.331148864579E+03 0.56543E-03 -0.23304E-03 5337 0.867E-02 0.120E-01 RMM: 5 -0.331148770524E+03 0.94055E-04 -0.17061E-04 4408 0.315E-02 0.983E-02 RMM: 6 -0.331148742658E+03 0.27866E-04 -0.28713E-05 2607 0.159E-02 0.838E-02 RMM: 7 -0.331148780128E+03 -0.37470E-04 -0.83615E-05 3668 0.242E-02 0.115E-01 RMM: 8 -0.331148705177E+03 0.74951E-04 -0.13598E-04 3894 0.250E-02 0.474E-02 RMM: 9 -0.331148697199E+03 0.79774E-05 -0.25280E-05 2635 0.143E-02 8862 T= 6063. E= 0.67572003E+03 F= 0.62512029E+03 E0= 0.65350068E+03 EK= 0.49376E+02 SP= 0.12E+01 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330651184344E+03 0.49752E+00 -0.22405E-01 8992 0.232E+01 0.336E-01 RMM: 2 -0.330689051778E+03 -0.37867E-01 -0.22205E-01 5235 0.958E-01 0.161E+00 RMM: 3 -0.330669463902E+03 0.19588E-01 -0.18898E-02 5443 0.302E-01 0.331E-01 RMM: 4 -0.330668826470E+03 0.63743E-03 -0.24087E-03 5098 0.105E-01 0.190E-01 RMM: 5 -0.330668703561E+03 0.12291E-03 -0.35428E-04 3945 0.448E-02 0.149E-01 RMM: 6 -0.330668558494E+03 0.14507E-03 -0.90926E-05 3697 0.268E-02 0.526E-02 RMM: 7 -0.330668578038E+03 -0.19544E-04 -0.43636E-05 3086 0.181E-02 8863 T= 5985. E= 0.67571827E+03 F= 0.62560041E+03 E0= 0.65399226E+03 EK= 0.48742E+02 SP= 0.13E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330092538341E+03 0.57602E+00 -0.25095E-01 9016 0.230E+01 0.226E-01 RMM: 2 -0.330122375922E+03 -0.29838E-01 -0.21868E-01 5657 0.926E-01 0.116E+00 RMM: 3 -0.330111420304E+03 0.10956E-01 -0.13550E-02 5526 0.246E-01 0.205E-01 RMM: 4 -0.330111120224E+03 0.30008E-03 -0.11572E-03 5124 0.658E-02 0.109E-01 RMM: 5 -0.330111061079E+03 0.59145E-04 -0.11229E-04 4102 0.255E-02 0.876E-02 RMM: 6 -0.330111044947E+03 0.16132E-04 -0.22775E-05 2563 0.142E-02 8864 T= 5901. E= 0.67571703E+03 F= 0.62615794E+03 E0= 0.65456578E+03 EK= 0.48051E+02 SP= 0.15E+01 SK= 0.36E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329443314693E+03 0.66775E+00 -0.26962E-01 9008 0.228E+01 0.373E-01 RMM: 2 -0.329488796656E+03 -0.45482E-01 -0.23059E-01 5443 0.960E-01 0.191E+00 RMM: 3 -0.329461750172E+03 0.27046E-01 -0.21947E-02 5406 0.338E-01 0.305E-01 RMM: 4 -0.329461118841E+03 0.63133E-03 -0.25930E-03 5517 0.867E-02 0.119E-01 RMM: 5 -0.329461008371E+03 0.11047E-03 -0.15768E-04 3972 0.322E-02 0.996E-02 RMM: 6 -0.329460979249E+03 0.29122E-04 -0.30579E-05 2652 0.163E-02 0.860E-02 RMM: 7 -0.329461018346E+03 -0.39098E-04 -0.69053E-05 3499 0.223E-02 0.119E-01 RMM: 8 -0.329460940467E+03 0.77879E-04 -0.17329E-04 3903 0.261E-02 0.634E-02 RMM: 9 -0.329460917698E+03 0.22770E-04 -0.33632E-05 2777 0.165E-02 0.265E-02 RMM: 10 -0.329460922686E+03 -0.49888E-05 -0.12095E-05 2475 0.112E-02 8865 T= 5807. E= 0.67571687E+03 F= 0.62680807E+03 E0= 0.65523541E+03 EK= 0.47291E+02 SP= 0.16E+01 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328698961248E+03 0.76196E+00 -0.27899E-01 8984 0.227E+01 0.343E-01 RMM: 2 -0.328735688288E+03 -0.36727E-01 -0.23624E-01 5423 0.955E-01 0.149E+00 RMM: 3 -0.328718483984E+03 0.17204E-01 -0.18750E-02 5452 0.298E-01 0.321E-01 RMM: 4 -0.328717894854E+03 0.58913E-03 -0.21494E-03 4952 0.973E-02 0.190E-01 RMM: 5 -0.328717773669E+03 0.12118E-03 -0.33683E-04 3951 0.439E-02 0.147E-01 RMM: 6 -0.328717637956E+03 0.13571E-03 -0.10516E-04 3759 0.283E-02 0.541E-02 RMM: 7 -0.328717680096E+03 -0.42140E-04 -0.61446E-05 3405 0.209E-02 0.952E-02 RMM: 8 -0.328717639035E+03 0.41061E-04 -0.65153E-05 3515 0.220E-02 0.447E-02 RMM: 9 -0.328717628717E+03 0.10318E-04 -0.16087E-05 2515 0.119E-02 8866 T= 5706. E= 0.67571788E+03 F= 0.62755136E+03 E0= 0.65599980E+03 EK= 0.46464E+02 SP= 0.17E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327885233934E+03 0.83241E+00 -0.27746E-01 9016 0.225E+01 0.203E-01 RMM: 2 -0.327911928635E+03 -0.26695E-01 -0.22094E-01 5634 0.935E-01 0.919E-01 RMM: 3 -0.327904491870E+03 0.74368E-02 -0.14515E-02 5804 0.232E-01 0.166E-01 RMM: 4 -0.327904172200E+03 0.31967E-03 -0.88860E-04 4863 0.627E-02 0.123E-01 RMM: 5 -0.327904080049E+03 0.92150E-04 -0.12139E-04 3881 0.268E-02 0.767E-02 RMM: 6 -0.327904057011E+03 0.23038E-04 -0.26958E-05 2614 0.157E-02 0.577E-02 RMM: 7 -0.327904070293E+03 -0.13282E-04 -0.55589E-05 3182 0.191E-02 8867 T= 5599. E= 0.67572108E+03 F= 0.62836492E+03 E0= 0.65683558E+03 EK= 0.45598E+02 SP= 0.18E+01 SK= 0.45E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327073497197E+03 0.83056E+00 -0.25965E-01 9008 0.224E+01 0.175E-01 RMM: 2 -0.327097603391E+03 -0.24106E-01 -0.21590E-01 5824 0.929E-01 0.719E-01 RMM: 3 -0.327092699322E+03 0.49041E-02 -0.13621E-02 5836 0.216E-01 0.177E-01 RMM: 4 -0.327092324240E+03 0.37508E-03 -0.75994E-04 4776 0.582E-02 0.109E-01 RMM: 5 -0.327092246189E+03 0.78051E-04 -0.97040E-05 3640 0.249E-02 0.751E-02 RMM: 6 -0.327092241154E+03 0.50344E-05 -0.32544E-05 2720 0.172E-02 8868 T= 5497. E= 0.67572777E+03 F= 0.62917675E+03 E0= 0.65767048E+03 EK= 0.44767E+02 SP= 0.18E+01 SK= 0.25E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.326395209410E+03 0.69704E+00 -0.24197E-01 8976 0.222E+01 0.304E-01 RMM: 2 -0.326437710061E+03 -0.42501E-01 -0.22782E-01 5506 0.100E+00 0.177E+00 RMM: 3 -0.326414885202E+03 0.22825E-01 -0.18946E-02 5439 0.306E-01 0.301E-01 RMM: 4 -0.326414241410E+03 0.64379E-03 -0.18922E-03 5148 0.840E-02 0.120E-01 RMM: 5 -0.326414171789E+03 0.69620E-04 -0.19615E-04 4412 0.306E-02 0.106E-01 RMM: 6 -0.326414135928E+03 0.35861E-04 -0.33821E-05 2778 0.172E-02 0.898E-02 RMM: 7 -0.326414190269E+03 -0.54341E-04 -0.96501E-05 3793 0.254E-02 0.131E-01 RMM: 8 -0.326414095521E+03 0.94748E-04 -0.17465E-04 3893 0.285E-02 0.643E-02 RMM: 9 -0.326414072191E+03 0.23330E-04 -0.33341E-05 2705 0.156E-02 0.260E-02 RMM: 10 -0.326414077988E+03 -0.57967E-05 -0.12655E-05 2473 0.113E-02 8869 T= 5416. E= 0.67573788E+03 F= 0.62985491E+03 E0= 0.65837182E+03 EK= 0.44105E+02 SP= 0.18E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326018096948E+03 0.39598E+00 -0.21056E-01 8960 0.220E+01 0.367E-01 RMM: 2 -0.326068675696E+03 -0.50579E-01 -0.23605E-01 5086 0.106E+00 0.206E+00 RMM: 3 -0.326038062423E+03 0.30613E-01 -0.24045E-02 5455 0.342E-01 0.349E-01 RMM: 4 -0.326037205654E+03 0.85677E-03 -0.28132E-03 5316 0.111E-01 0.163E-01 RMM: 5 -0.326037118364E+03 0.87289E-04 -0.35989E-04 4099 0.401E-02 0.138E-01 RMM: 6 -0.326036998759E+03 0.11961E-03 -0.73580E-05 3490 0.240E-02 0.564E-02 RMM: 7 -0.326037011325E+03 -0.12566E-04 -0.39339E-05 3008 0.176E-02 8870 T= 5376. E= 0.67574687E+03 F= 0.63023198E+03 E0= 0.65877318E+03 EK= 0.43778E+02 SP= 0.17E+01 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326092931902E+03 -0.55933E-01 -0.15487E-01 8712 0.219E+01 0.229E-01 RMM: 2 -0.326118369160E+03 -0.25437E-01 -0.18413E-01 5450 0.927E-01 0.110E+00 RMM: 3 -0.326109287686E+03 0.90815E-02 -0.15982E-02 5626 0.259E-01 0.265E-01 RMM: 4 -0.326108692038E+03 0.59565E-03 -0.11835E-03 4961 0.710E-02 0.101E-01 RMM: 5 -0.326108649859E+03 0.42179E-04 -0.13126E-04 4190 0.273E-02 0.892E-02 RMM: 6 -0.326108630484E+03 0.19376E-04 -0.21462E-05 2559 0.137E-02 8871 T= 5395. E= 0.67575043E+03 F= 0.63016036E+03 E0= 0.65872573E+03 EK= 0.43930E+02 SP= 0.16E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326682034258E+03 -0.57338E+00 -0.13302E-01 8304 0.219E+01 0.338E-01 RMM: 2 -0.326718128305E+03 -0.36094E-01 -0.17344E-01 4909 0.916E-01 0.174E+00 RMM: 3 -0.326696462923E+03 0.21665E-01 -0.20195E-02 5436 0.319E-01 0.352E-01 RMM: 4 -0.326695581874E+03 0.88105E-03 -0.20408E-03 5088 0.899E-02 0.126E-01 RMM: 5 -0.326695511718E+03 0.70156E-04 -0.22480E-04 4238 0.329E-02 0.115E-01 RMM: 6 -0.326695454509E+03 0.57209E-04 -0.50215E-05 3052 0.196E-02 0.944E-02 RMM: 7 -0.326695546431E+03 -0.91922E-04 -0.15909E-04 3885 0.328E-02 0.153E-01 RMM: 8 -0.326695426758E+03 0.11967E-03 -0.20560E-04 3920 0.306E-02 0.829E-02 RMM: 9 -0.326695381589E+03 0.45169E-04 -0.35438E-05 2972 0.169E-02 0.227E-02 RMM: 10 -0.326695388043E+03 -0.64538E-05 -0.11784E-05 2484 0.107E-02 8872 T= 5480. E= 0.67574652E+03 F= 0.62957360E+03 E0= 0.65816273E+03 EK= 0.44626E+02 SP= 0.15E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327735411958E+03 -0.10400E+01 -0.12610E-01 8296 0.221E+01 0.362E-01 RMM: 2 -0.327766287375E+03 -0.30875E-01 -0.15981E-01 4856 0.883E-01 0.159E+00 RMM: 3 -0.327748283048E+03 0.18004E-01 -0.18503E-02 5428 0.303E-01 0.365E-01 RMM: 4 -0.327747473131E+03 0.80992E-03 -0.23126E-03 5184 0.104E-01 0.184E-01 RMM: 5 -0.327747531236E+03 -0.58105E-04 -0.43489E-04 4113 0.497E-02 0.209E-01 RMM: 6 -0.327747253102E+03 0.27813E-03 -0.16088E-04 3884 0.352E-02 0.641E-02 RMM: 7 -0.327747278027E+03 -0.24925E-04 -0.57849E-05 3341 0.205E-02 0.870E-02 RMM: 8 -0.327747253950E+03 0.24077E-04 -0.44407E-05 3038 0.200E-02 0.543E-02 RMM: 9 -0.327747238953E+03 0.14998E-04 -0.19909E-05 2571 0.138E-02 8873 T= 5626. E= 0.67573587E+03 F= 0.62852175E+03 E0= 0.65713358E+03 EK= 0.45816E+02 SP= 0.13E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329101583311E+03 -0.13543E+01 -0.12963E-01 8096 0.224E+01 0.244E-01 RMM: 2 -0.329125509481E+03 -0.23926E-01 -0.15977E-01 4954 0.875E-01 0.118E+00 RMM: 3 -0.329115046372E+03 0.10463E-01 -0.16490E-02 5804 0.255E-01 0.217E-01 RMM: 4 -0.329114613670E+03 0.43270E-03 -0.11388E-03 4756 0.736E-02 0.124E-01 RMM: 5 -0.329114535318E+03 0.78352E-04 -0.16124E-04 3930 0.317E-02 0.931E-02 RMM: 6 -0.329114487228E+03 0.48090E-04 -0.38941E-05 2979 0.187E-02 0.518E-02 RMM: 7 -0.329114497892E+03 -0.10663E-04 -0.35212E-05 2764 0.176E-02 8874 T= 5815. E= 0.67572252E+03 F= 0.62715449E+03 E0= 0.65578540E+03 EK= 0.47353E+02 SP= 0.11E+01 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330584008212E+03 -0.14695E+01 -0.14464E-01 8752 0.228E+01 0.232E-01 RMM: 2 -0.330607126180E+03 -0.23118E-01 -0.17611E-01 5045 0.885E-01 0.101E+00 RMM: 3 -0.330598806500E+03 0.83197E-02 -0.16400E-02 5800 0.253E-01 0.224E-01 RMM: 4 -0.330598340532E+03 0.46597E-03 -0.10918E-03 4850 0.706E-02 0.120E-01 RMM: 5 -0.330598249996E+03 0.90536E-04 -0.13804E-04 3962 0.304E-02 0.761E-02 RMM: 6 -0.330598234776E+03 0.15220E-04 -0.28221E-05 2586 0.156E-02 8875 T= 6022. E= 0.67570967E+03 F= 0.62567075E+03 E0= 0.65431513E+03 EK= 0.49037E+02 SP= 0.88E+00 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331985742970E+03 -0.13875E+01 -0.16744E-01 8808 0.232E+01 0.315E-01 RMM: 2 -0.332022620757E+03 -0.36878E-01 -0.20766E-01 5102 0.951E-01 0.164E+00 RMM: 3 -0.332002538622E+03 0.20082E-01 -0.20855E-02 5499 0.306E-01 0.270E-01 RMM: 4 -0.332001983589E+03 0.55503E-03 -0.19147E-03 5153 0.845E-02 0.134E-01 RMM: 5 -0.332001883852E+03 0.99738E-04 -0.18671E-04 4039 0.342E-02 0.106E-01 RMM: 6 -0.332001849762E+03 0.34090E-04 -0.39982E-05 2920 0.187E-02 0.898E-02 RMM: 7 -0.332001873547E+03 -0.23785E-04 -0.82984E-05 3663 0.238E-02 0.117E-01 RMM: 8 -0.332001788916E+03 0.84631E-04 -0.17693E-04 3899 0.303E-02 0.555E-02 RMM: 9 -0.332001783110E+03 0.58053E-05 -0.43123E-05 3054 0.181E-02 8876 T= 6222. E= 0.67569928E+03 F= 0.62426721E+03 E0= 0.65291949E+03 EK= 0.50667E+02 SP= 0.63E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333147243421E+03 -0.11455E+01 -0.19156E-01 8928 0.235E+01 0.352E-01 RMM: 2 -0.333189056896E+03 -0.41813E-01 -0.23736E-01 4984 0.102E+00 0.175E+00 RMM: 3 -0.333166739173E+03 0.22318E-01 -0.24691E-02 5518 0.326E-01 0.313E-01 RMM: 4 -0.333166215943E+03 0.52323E-03 -0.26837E-03 5233 0.113E-01 0.234E-01 RMM: 5 -0.333165967126E+03 0.24882E-03 -0.41804E-04 4034 0.496E-02 0.149E-01 RMM: 6 -0.333165820340E+03 0.14679E-03 -0.10750E-04 3778 0.281E-02 0.518E-02 RMM: 7 -0.333165828691E+03 -0.83513E-05 -0.37544E-05 2980 0.172E-02 8877 T= 6395. E= 0.67569214E+03 F= 0.62310316E+03 E0= 0.65175488E+03 EK= 0.52079E+02 SP= 0.37E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333960983110E+03 -0.79516E+00 -0.21318E-01 9024 0.237E+01 0.215E-01 RMM: 2 -0.333991364892E+03 -0.30382E-01 -0.23950E-01 5288 0.971E-01 0.108E+00 RMM: 3 -0.333981176367E+03 0.10189E-01 -0.19956E-02 5799 0.269E-01 0.208E-01 RMM: 4 -0.333980714992E+03 0.46138E-03 -0.12293E-03 5076 0.704E-02 0.118E-01 RMM: 5 -0.333980633994E+03 0.80998E-04 -0.14543E-04 4252 0.286E-02 0.965E-02 RMM: 6 -0.333980615653E+03 0.18342E-04 -0.31113E-05 2625 0.166E-02 8878 T= 6527. E= 0.67568798E+03 F= 0.62228837E+03 E0= 0.65093299E+03 EK= 0.53155E+02 SP= 0.10E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334365176951E+03 -0.38454E+00 -0.24597E-01 8928 0.238E+01 0.380E-01 RMM: 2 -0.334415215738E+03 -0.50039E-01 -0.27408E-01 5062 0.108E+00 0.195E+00 RMM: 3 -0.334387635130E+03 0.27581E-01 -0.28093E-02 5477 0.365E-01 0.369E-01 RMM: 4 -0.334386601371E+03 0.10338E-02 -0.29005E-03 5536 0.102E-01 0.126E-01 RMM: 5 -0.334386509827E+03 0.91545E-04 -0.28478E-04 4059 0.363E-02 0.113E-01 RMM: 6 -0.334386444888E+03 0.64939E-04 -0.52367E-05 3229 0.210E-02 0.755E-02 RMM: 7 -0.334386464998E+03 -0.20110E-04 -0.47855E-05 3173 0.193E-02 0.100E-01 RMM: 8 -0.334386421955E+03 0.43043E-04 -0.14435E-04 3908 0.251E-02 0.781E-02 RMM: 9 -0.334386384265E+03 0.37689E-04 -0.38745E-05 2944 0.170E-02 0.230E-02 RMM: 10 -0.334386390334E+03 -0.60683E-05 -0.13055E-05 2481 0.111E-02 8879 T= 6610. E= 0.67568681E+03 F= 0.62188260E+03 E0= 0.65051621E+03 EK= 0.53828E+02 SP= -.16E+00 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334340477346E+03 0.45907E-01 -0.25499E-01 8976 0.238E+01 0.397E-01 RMM: 2 -0.334387367790E+03 -0.46890E-01 -0.28347E-01 5000 0.107E+00 0.179E+00 RMM: 3 -0.334363577145E+03 0.23791E-01 -0.27032E-02 5551 0.348E-01 0.392E-01 RMM: 4 -0.334362526439E+03 0.10507E-02 -0.29978E-03 5342 0.118E-01 0.210E-01 RMM: 5 -0.334362462512E+03 0.63927E-04 -0.51621E-04 4281 0.537E-02 0.193E-01 RMM: 6 -0.334362218866E+03 0.24365E-03 -0.16235E-04 3880 0.339E-02 0.547E-02 RMM: 7 -0.334362236121E+03 -0.17256E-04 -0.48250E-05 3203 0.185E-02 8880 T= 6640. E= 0.67568770E+03 F= 0.62190675E+03 E0= 0.65052415E+03 EK= 0.54071E+02 SP= -.42E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333889341815E+03 0.47288E+00 -0.26476E-01 9024 0.238E+01 0.266E-01 RMM: 2 -0.333924899258E+03 -0.35557E-01 -0.26301E-01 5460 0.998E-01 0.127E+00 RMM: 3 -0.333911289707E+03 0.13610E-01 -0.18859E-02 5713 0.278E-01 0.244E-01 RMM: 4 -0.333910750257E+03 0.53945E-03 -0.14564E-03 5051 0.770E-02 0.116E-01 RMM: 5 -0.333910700046E+03 0.50212E-04 -0.19361E-04 4000 0.335E-02 0.105E-01 RMM: 6 -0.333910636537E+03 0.63509E-04 -0.55875E-05 3275 0.216E-02 0.541E-02 RMM: 7 -0.333910672953E+03 -0.36416E-04 -0.48120E-05 3145 0.194E-02 0.967E-02 RMM: 8 -0.333910622658E+03 0.50294E-04 -0.79220E-05 3788 0.217E-02 0.472E-02 RMM: 9 -0.333910609467E+03 0.13191E-04 -0.16918E-05 2526 0.119E-02 8881 T= 6617. E= 0.67568913E+03 F= 0.62235838E+03 E0= 0.65095856E+03 EK= 0.53882E+02 SP= -.68E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333023431479E+03 0.88719E+00 -0.27851E-01 8928 0.237E+01 0.240E-01 RMM: 2 -0.333058249425E+03 -0.34818E-01 -0.28743E-01 5261 0.107E+00 0.106E+00 RMM: 3 -0.333048119340E+03 0.10130E-01 -0.21912E-02 5846 0.280E-01 0.183E-01 RMM: 4 -0.333047755514E+03 0.36383E-03 -0.13773E-03 4891 0.815E-02 0.183E-01 RMM: 5 -0.333047546487E+03 0.20903E-03 -0.22579E-04 3910 0.369E-02 0.895E-02 RMM: 6 -0.333047497910E+03 0.48577E-04 -0.53180E-05 3220 0.211E-02 0.392E-02 RMM: 7 -0.333047504135E+03 -0.62244E-05 -0.25415E-05 2564 0.151E-02 8882 T= 6542. E= 0.67569115E+03 F= 0.62322149E+03 E0= 0.65180336E+03 EK= 0.53275E+02 SP= -.93E+00 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331782182677E+03 0.12653E+01 -0.25760E-01 9072 0.236E+01 0.207E-01 RMM: 2 -0.331811263434E+03 -0.29081E-01 -0.24517E-01 5748 0.966E-01 0.921E-01 RMM: 3 -0.331803297250E+03 0.79662E-02 -0.15510E-02 5872 0.239E-01 0.190E-01 RMM: 4 -0.331802906368E+03 0.39088E-03 -0.97694E-04 4869 0.664E-02 0.117E-01 RMM: 5 -0.331802835490E+03 0.70877E-04 -0.13857E-04 3972 0.285E-02 0.871E-02 RMM: 6 -0.331802798028E+03 0.37462E-04 -0.38222E-05 3000 0.183E-02 0.541E-02 RMM: 7 -0.331802827459E+03 -0.29430E-04 -0.55691E-05 3351 0.198E-02 0.921E-02 RMM: 8 -0.331802774021E+03 0.53437E-04 -0.52615E-05 3257 0.197E-02 0.282E-02 RMM: 9 -0.331802773890E+03 0.13104E-06 -0.15040E-05 2490 0.110E-02 8883 T= 6420. E= 0.67569484E+03 F= 0.62446622E+03 E0= 0.65303058E+03 EK= 0.52284E+02 SP= -.12E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330202847009E+03 0.15999E+01 -0.27244E-01 8864 0.235E+01 0.195E-01 RMM: 2 -0.330232767761E+03 -0.29921E-01 -0.27894E-01 5234 0.110E+00 0.699E-01 RMM: 3 -0.330227548078E+03 0.52197E-02 -0.22549E-02 6290 0.262E-01 0.145E-01 RMM: 4 -0.330227115466E+03 0.43261E-03 -0.10259E-03 4857 0.764E-02 0.177E-01 RMM: 5 -0.330226908212E+03 0.20725E-03 -0.18975E-04 3916 0.354E-02 0.737E-02 RMM: 6 -0.330226878566E+03 0.29646E-04 -0.39697E-05 3002 0.188E-02 0.409E-02 RMM: 7 -0.330226885130E+03 -0.65639E-05 -0.26524E-05 2577 0.155E-02 8884 T= 6258. E= 0.67570019E+03 F= 0.62604210E+03 E0= 0.65458949E+03 EK= 0.50960E+02 SP= -.14E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328379261509E+03 0.18476E+01 -0.23101E-01 8920 0.233E+01 0.174E-01 RMM: 2 -0.328403861737E+03 -0.24600E-01 -0.22115E-01 5598 0.960E-01 0.725E-01 RMM: 3 -0.328398713829E+03 0.51479E-02 -0.15899E-02 6101 0.229E-01 0.172E-01 RMM: 4 -0.328398276316E+03 0.43751E-03 -0.77529E-04 4821 0.625E-02 0.105E-01 RMM: 5 -0.328398201111E+03 0.75204E-04 -0.10158E-04 3679 0.260E-02 0.745E-02 RMM: 6 -0.328398184113E+03 0.16998E-04 -0.27693E-05 2595 0.159E-02 8885 T= 6065. E= 0.67570759E+03 F= 0.62787081E+03 E0= 0.65640242E+03 EK= 0.49387E+02 SP= -.17E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326414203020E+03 0.19840E+01 -0.21297E-01 8792 0.230E+01 0.273E-01 RMM: 2 -0.326447065635E+03 -0.32863E-01 -0.20401E-01 5335 0.930E-01 0.144E+00 RMM: 3 -0.326431457230E+03 0.15608E-01 -0.17941E-02 5508 0.282E-01 0.262E-01 RMM: 4 -0.326430907006E+03 0.55022E-03 -0.16071E-03 5144 0.767E-02 0.109E-01 RMM: 5 -0.326430827333E+03 0.79673E-04 -0.15747E-04 4182 0.302E-02 0.827E-02 RMM: 6 -0.326430798799E+03 0.28535E-04 -0.30479E-05 2734 0.163E-02 0.658E-02 RMM: 7 -0.326430818713E+03 -0.19915E-04 -0.51843E-05 3219 0.202E-02 8886 T= 5856. E= 0.67571757E+03 F= 0.62983817E+03 E0= 0.65835509E+03 EK= 0.47685E+02 SP= -.20E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324462005233E+03 0.19688E+01 -0.17849E-01 8920 0.227E+01 0.346E-01 RMM: 2 -0.324495631074E+03 -0.33626E-01 -0.16692E-01 5235 0.863E-01 0.169E+00 RMM: 3 -0.324475405426E+03 0.20226E-01 -0.17342E-02 5442 0.295E-01 0.373E-01 RMM: 4 -0.324474408891E+03 0.99653E-03 -0.20994E-03 4930 0.966E-02 0.124E-01 RMM: 5 -0.324474427263E+03 -0.18372E-04 -0.29348E-04 3959 0.391E-02 0.143E-01 RMM: 6 -0.324474292599E+03 0.13466E-03 -0.71418E-05 3484 0.242E-02 0.453E-02 RMM: 7 -0.324474291637E+03 0.96132E-06 -0.20195E-05 2568 0.132E-02 8887 T= 5650. E= 0.67572955E+03 F= 0.63179470E+03 E0= 0.66029865E+03 EK= 0.46009E+02 SP= -.23E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322682627446E+03 0.17917E+01 -0.15660E-01 8752 0.224E+01 0.264E-01 RMM: 2 -0.322709480134E+03 -0.26853E-01 -0.14636E-01 5340 0.799E-01 0.143E+00 RMM: 3 -0.322694418249E+03 0.15062E-01 -0.13321E-02 5425 0.255E-01 0.240E-01 RMM: 4 -0.322694014647E+03 0.40360E-03 -0.13525E-03 5097 0.698E-02 0.110E-01 RMM: 5 -0.322693937287E+03 0.77360E-04 -0.12834E-04 3793 0.298E-02 0.842E-02 RMM: 6 -0.322693899055E+03 0.38232E-04 -0.30538E-05 2754 0.165E-02 0.599E-02 RMM: 7 -0.322693906339E+03 -0.72845E-05 -0.31661E-05 2673 0.165E-02 8888 T= 5468. E= 0.67574091E+03 F= 0.63357508E+03 E0= 0.66206847E+03 EK= 0.44527E+02 SP= -.26E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321231780162E+03 0.14621E+01 -0.12574E-01 8320 0.221E+01 0.242E-01 RMM: 2 -0.321250895674E+03 -0.19116E-01 -0.12394E-01 5122 0.763E-01 0.110E+00 RMM: 3 -0.321241990412E+03 0.89053E-02 -0.12582E-02 5610 0.237E-01 0.233E-01 RMM: 4 -0.321241565412E+03 0.42500E-03 -0.11227E-03 4875 0.676E-02 0.976E-02 RMM: 5 -0.321241531555E+03 0.33857E-04 -0.13975E-04 3856 0.299E-02 0.876E-02 RMM: 6 -0.321241482552E+03 0.49003E-04 -0.29412E-05 2782 0.164E-02 0.429E-02 RMM: 7 -0.321241482051E+03 0.50099E-06 -0.15149E-05 2506 0.124E-02 8889 T= 5329. E= 0.67574887E+03 F= 0.63502751E+03 E0= 0.66351331E+03 EK= 0.43395E+02 SP= -.30E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320219970100E+03 0.10215E+01 -0.11153E-01 8088 0.220E+01 0.223E-01 RMM: 2 -0.320237919652E+03 -0.17950E-01 -0.10444E-01 5116 0.701E-01 0.114E+00 RMM: 3 -0.320228353192E+03 0.95665E-02 -0.10566E-02 5540 0.220E-01 0.205E-01 RMM: 4 -0.320228027665E+03 0.32553E-03 -0.94741E-04 4844 0.616E-02 0.963E-02 RMM: 5 -0.320227978571E+03 0.49094E-04 -0.11098E-04 3788 0.268E-02 0.771E-02 RMM: 6 -0.320227943225E+03 0.35346E-04 -0.25287E-05 2625 0.152E-02 0.483E-02 RMM: 7 -0.320227944031E+03 -0.80595E-06 -0.18607E-05 2548 0.130E-02 8890 T= 5247. E= 0.67575388E+03 F= 0.63604105E+03 E0= 0.66452244E+03 EK= 0.42728E+02 SP= -.34E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319710206295E+03 0.51774E+00 -0.10056E-01 7888 0.219E+01 0.231E-01 RMM: 2 -0.319726090436E+03 -0.15884E-01 -0.83461E-02 5064 0.655E-01 0.114E+00 RMM: 3 -0.319716971313E+03 0.91191E-02 -0.95600E-03 5434 0.217E-01 0.256E-01 RMM: 4 -0.319716517615E+03 0.45370E-03 -0.98693E-04 4730 0.642E-02 0.848E-02 RMM: 5 -0.319716506059E+03 0.11556E-04 -0.13993E-04 3858 0.302E-02 8891 T= 5231. E= 0.67575603E+03 F= 0.63655248E+03 E0= 0.66503141E+03 EK= 0.42596E+02 SP= -.39E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319719340646E+03 -0.28230E-02 -0.10020E-01 7880 0.220E+01 0.155E-01 RMM: 2 -0.319730107470E+03 -0.10767E-01 -0.75930E-02 5246 0.606E-01 0.771E-01 RMM: 3 -0.319725677005E+03 0.44305E-02 -0.67666E-03 5598 0.169E-01 0.174E-01 RMM: 4 -0.319725448446E+03 0.22856E-03 -0.51061E-04 4383 0.477E-02 0.904E-02 RMM: 5 -0.319725399654E+03 0.48793E-04 -0.60573E-05 3367 0.207E-02 0.754E-02 RMM: 6 -0.319725380686E+03 0.18968E-04 -0.23500E-05 2535 0.148E-02 8892 T= 5283. E= 0.67575528E+03 F= 0.63654361E+03 E0= 0.66502304E+03 EK= 0.43023E+02 SP= -.44E+01 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320228738653E+03 -0.50334E+00 -0.10327E-01 7912 0.221E+01 0.320E-01 RMM: 2 -0.320257496488E+03 -0.28758E-01 -0.80471E-02 5031 0.664E-01 0.184E+00 RMM: 3 -0.320234836420E+03 0.22660E-01 -0.12833E-02 5355 0.275E-01 0.330E-01 RMM: 4 -0.320234047021E+03 0.78940E-03 -0.15281E-03 4681 0.804E-02 0.977E-02 RMM: 5 -0.320234021749E+03 0.25272E-04 -0.18800E-04 3912 0.333E-02 0.921E-02 RMM: 6 -0.320233971575E+03 0.50174E-04 -0.34039E-05 2897 0.175E-02 0.521E-02 RMM: 7 -0.320233965233E+03 0.63413E-05 -0.18181E-05 2506 0.139E-02 8893 T= 5402. E= 0.67575177E+03 F= 0.63603502E+03 E0= 0.66451529E+03 EK= 0.43991E+02 SP= -.50E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321185696545E+03 -0.95172E+00 -0.11069E-01 7976 0.223E+01 0.431E-01 RMM: 2 -0.321231890087E+03 -0.46194E-01 -0.99636E-02 5151 0.762E-01 0.242E+00 RMM: 3 -0.321192578824E+03 0.39311E-01 -0.18845E-02 5356 0.345E-01 0.451E-01 RMM: 4 -0.321191056507E+03 0.15223E-02 -0.24715E-03 5038 0.106E-01 0.137E-01 RMM: 5 -0.321191034085E+03 0.22423E-04 -0.34355E-04 3925 0.424E-02 0.134E-01 RMM: 6 -0.321190919851E+03 0.11423E-03 -0.80593E-05 3589 0.257E-02 0.581E-02 RMM: 7 -0.321190903027E+03 0.16824E-04 -0.20603E-05 2565 0.138E-02 8894 T= 5582. E= 0.67574602E+03 F= 0.63507809E+03 E0= 0.66355895E+03 EK= 0.45454E+02 SP= -.56E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322511298552E+03 -0.13204E+01 -0.11465E-01 8200 0.226E+01 0.308E-01 RMM: 2 -0.322540955735E+03 -0.29657E-01 -0.91614E-02 5219 0.681E-01 0.182E+00 RMM: 3 -0.322518274755E+03 0.22681E-01 -0.12665E-02 5358 0.269E-01 0.306E-01 RMM: 4 -0.322517613684E+03 0.66107E-03 -0.14851E-03 4743 0.772E-02 0.112E-01 RMM: 5 -0.322517546760E+03 0.66924E-04 -0.17717E-04 3902 0.332E-02 0.868E-02 RMM: 6 -0.322517496686E+03 0.50074E-04 -0.33656E-05 2855 0.174E-02 0.517E-02 RMM: 7 -0.322517492821E+03 0.38648E-05 -0.17483E-05 2517 0.132E-02 8895 T= 5813. E= 0.67573872E+03 F= 0.63375150E+03 E0= 0.66223246E+03 EK= 0.47336E+02 SP= -.62E+01 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324107619078E+03 -0.15901E+01 -0.11785E-01 8360 0.230E+01 0.301E-01 RMM: 2 -0.324131700292E+03 -0.24081E-01 -0.10112E-01 5197 0.714E-01 0.154E+00 RMM: 3 -0.324115261699E+03 0.16439E-01 -0.12681E-02 5387 0.262E-01 0.297E-01 RMM: 4 -0.324114621824E+03 0.63987E-03 -0.14260E-03 4734 0.761E-02 0.104E-01 RMM: 5 -0.324114582447E+03 0.39377E-04 -0.18184E-04 3912 0.338E-02 0.935E-02 RMM: 6 -0.324114522053E+03 0.60394E-04 -0.36190E-05 2952 0.183E-02 0.463E-02 RMM: 7 -0.324114518363E+03 0.36904E-05 -0.16542E-05 2510 0.129E-02 8896 T= 6083. E= 0.67573018E+03 F= 0.63215447E+03 E0= 0.66063471E+03 EK= 0.49535E+02 SP= -.69E+01 SK= 0.92E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325859683644E+03 -0.17452E+01 -0.12523E-01 8624 0.234E+01 0.219E-01 RMM: 2 -0.325879140417E+03 -0.19457E-01 -0.11207E-01 5189 0.712E-01 0.119E+00 RMM: 3 -0.325868803865E+03 0.10337E-01 -0.11027E-02 5485 0.226E-01 0.207E-01 RMM: 4 -0.325868509545E+03 0.29432E-03 -0.10304E-03 4875 0.642E-02 0.115E-01 RMM: 5 -0.325868414024E+03 0.95521E-04 -0.12057E-04 3806 0.282E-02 0.779E-02 RMM: 6 -0.325868381675E+03 0.32350E-04 -0.26296E-05 2656 0.155E-02 0.545E-02 RMM: 7 -0.325868375418E+03 0.62564E-05 -0.23736E-05 2601 0.141E-02 8897 T= 6377. E= 0.67572104E+03 F= 0.63040061E+03 E0= 0.65888038E+03 EK= 0.51934E+02 SP= -.76E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327649999959E+03 -0.17816E+01 -0.13482E-01 8784 0.239E+01 0.227E-01 RMM: 2 -0.327668852616E+03 -0.18853E-01 -0.12621E-01 5174 0.760E-01 0.107E+00 RMM: 3 -0.327660229260E+03 0.86234E-02 -0.12356E-02 5590 0.232E-01 0.222E-01 RMM: 4 -0.327659842879E+03 0.38638E-03 -0.10428E-03 4928 0.646E-02 0.104E-01 RMM: 5 -0.327659787713E+03 0.55166E-04 -0.12938E-04 3812 0.295E-02 0.881E-02 RMM: 6 -0.327659741362E+03 0.46350E-04 -0.31360E-05 2844 0.169E-02 0.542E-02 RMM: 7 -0.327659737462E+03 0.39001E-05 -0.34749E-05 2677 0.170E-02 8898 T= 6681. E= 0.67571151E+03 F= 0.62860925E+03 E0= 0.65708836E+03 EK= 0.54407E+02 SP= -.82E+01 SK= 0.94E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329359405204E+03 -0.16997E+01 -0.15039E-01 8880 0.243E+01 0.188E-01 RMM: 2 -0.329378792653E+03 -0.19387E-01 -0.15210E-01 5090 0.828E-01 0.892E-01 RMM: 3 -0.329372320087E+03 0.64726E-02 -0.14435E-02 5935 0.226E-01 0.167E-01 RMM: 4 -0.329371989346E+03 0.33074E-03 -0.82270E-04 4747 0.640E-02 0.130E-01 RMM: 5 -0.329371875713E+03 0.11363E-03 -0.12712E-04 3830 0.298E-02 0.745E-02 RMM: 6 -0.329371852211E+03 0.23502E-04 -0.27825E-05 2687 0.157E-02 0.571E-02 RMM: 7 -0.329371842197E+03 0.10014E-04 -0.31641E-05 2664 0.161E-02 8899 T= 6978. E= 0.67570231E+03 F= 0.62689715E+03 E0= 0.65537565E+03 EK= 0.56824E+02 SP= -.89E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330880933192E+03 -0.15091E+01 -0.17459E-01 9008 0.248E+01 0.175E-01 RMM: 2 -0.330902650465E+03 -0.21717E-01 -0.18483E-01 5062 0.921E-01 0.798E-01 RMM: 3 -0.330897119203E+03 0.55313E-02 -0.17480E-02 5949 0.243E-01 0.182E-01 RMM: 4 -0.330896667760E+03 0.45144E-03 -0.86299E-04 4834 0.653E-02 0.113E-01 RMM: 5 -0.330896581825E+03 0.85935E-04 -0.12058E-04 3786 0.291E-02 0.748E-02 RMM: 6 -0.330896561053E+03 0.20773E-04 -0.28258E-05 2683 0.156E-02 0.640E-02 RMM: 7 -0.330896550788E+03 0.10264E-04 -0.45870E-05 2928 0.188E-02 8900 T= 7253. E= 0.67569493E+03 F= 0.62537244E+03 E0= 0.65384922E+03 EK= 0.59067E+02 SP= -.96E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332122367458E+03 -0.12258E+01 -0.19603E-01 8976 0.251E+01 0.186E-01 RMM: 2 -0.332144129376E+03 -0.21762E-01 -0.18782E-01 5148 0.906E-01 0.780E-01 RMM: 3 -0.332138589842E+03 0.55395E-02 -0.16922E-02 6029 0.239E-01 0.170E-01 RMM: 4 -0.332138179056E+03 0.41079E-03 -0.83806E-04 4770 0.654E-02 0.130E-01 RMM: 5 -0.332138069105E+03 0.10995E-03 -0.13490E-04 3864 0.308E-02 0.746E-02 RMM: 6 -0.332138047780E+03 0.21326E-04 -0.31251E-05 2809 0.166E-02 0.594E-02 RMM: 7 -0.332138042221E+03 0.55588E-05 -0.40097E-05 2748 0.181E-02 8901 T= 7493. E= 0.67568794E+03 F= 0.62413095E+03 E0= 0.65260355E+03 EK= 0.61020E+02 SP= -.10E+02 SK= 0.76E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332989919916E+03 -0.85187E+00 -0.22670E-01 9064 0.255E+01 0.184E-01 RMM: 2 -0.333013808533E+03 -0.23889E-01 -0.20481E-01 5376 0.931E-01 0.821E-01 RMM: 3 -0.333007588842E+03 0.62197E-02 -0.15586E-02 5915 0.237E-01 0.166E-01 RMM: 4 -0.333007264694E+03 0.32415E-03 -0.88197E-04 4818 0.661E-02 0.135E-01 RMM: 5 -0.333007146552E+03 0.11814E-03 -0.14067E-04 3866 0.314E-02 0.711E-02 RMM: 6 -0.333007130660E+03 0.15892E-04 -0.31598E-05 2794 0.165E-02 8902 T= 7684. E= 0.67568149E+03 F= 0.62326186E+03 E0= 0.65172474E+03 EK= 0.62577E+02 SP= -.11E+02 SK= 0.66E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333404864490E+03 -0.39772E+00 -0.26649E-01 9040 0.258E+01 0.227E-01 RMM: 2 -0.333436899842E+03 -0.32035E-01 -0.23307E-01 5312 0.101E+00 0.119E+00 RMM: 3 -0.333425244478E+03 0.11655E-01 -0.18748E-02 5641 0.278E-01 0.216E-01 RMM: 4 -0.333424807682E+03 0.43680E-03 -0.13289E-03 5008 0.752E-02 0.119E-01 RMM: 5 -0.333424727018E+03 0.80664E-04 -0.16896E-04 4123 0.325E-02 0.837E-02 RMM: 6 -0.333424708170E+03 0.18848E-04 -0.38266E-05 2911 0.180E-02 8903 T= 7816. E= 0.67567680E+03 F= 0.62284428E+03 E0= 0.65128915E+03 EK= 0.63646E+02 SP= -.11E+02 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333313084590E+03 0.11164E+00 -0.27857E-01 8992 0.260E+01 0.423E-01 RMM: 2 -0.333374951621E+03 -0.61867E-01 -0.24064E-01 5147 0.105E+00 0.244E+00 RMM: 3 -0.333332306965E+03 0.42645E-01 -0.27000E-02 5439 0.377E-01 0.407E-01 RMM: 4 -0.333331080498E+03 0.12265E-02 -0.31596E-03 5398 0.113E-01 0.121E-01 RMM: 5 -0.333331042180E+03 0.38319E-04 -0.35207E-04 4158 0.379E-02 0.121E-01 RMM: 6 -0.333330961916E+03 0.80264E-04 -0.66656E-05 3450 0.225E-02 0.684E-02 RMM: 7 -0.333330988701E+03 -0.26785E-04 -0.52616E-05 3237 0.198E-02 0.951E-02 RMM: 8 -0.333330944871E+03 0.43830E-04 -0.10119E-04 3885 0.229E-02 0.491E-02 RMM: 9 -0.333330937419E+03 0.74514E-05 -0.25101E-05 2671 0.140E-02 8904 T= 7878. E= 0.67567400E+03 F= 0.62293805E+03 E0= 0.65135433E+03 EK= 0.64153E+02 SP= -.12E+02 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332680022231E+03 0.65092E+00 -0.30492E-01 8968 0.261E+01 0.323E-01 RMM: 2 -0.332722038396E+03 -0.42016E-01 -0.24435E-01 5396 0.101E+00 0.168E+00 RMM: 3 -0.332700592718E+03 0.21446E-01 -0.20365E-02 5421 0.324E-01 0.342E-01 RMM: 4 -0.332699926510E+03 0.66621E-03 -0.24775E-03 5299 0.105E-01 0.178E-01 RMM: 5 -0.332699839905E+03 0.86605E-04 -0.35277E-04 3942 0.445E-02 0.150E-01 RMM: 6 -0.332699696270E+03 0.14364E-03 -0.97350E-05 3728 0.276E-02 0.516E-02 RMM: 7 -0.332699720616E+03 -0.24346E-04 -0.45606E-05 3124 0.187E-02 0.767E-02 RMM: 8 -0.332699693873E+03 0.26743E-04 -0.45771E-05 2916 0.193E-02 0.344E-02 RMM: 9 -0.332699691894E+03 0.19795E-05 -0.17535E-05 2497 0.123E-02 8905 T= 7867. E= 0.67567565E+03 F= 0.62356930E+03 E0= 0.65194399E+03 EK= 0.64065E+02 SP= -.12E+02 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331544150260E+03 0.11555E+01 -0.32507E-01 9032 0.261E+01 0.266E-01 RMM: 2 -0.331581839968E+03 -0.37690E-01 -0.25421E-01 5357 0.108E+00 0.143E+00 RMM: 3 -0.331566110411E+03 0.15730E-01 -0.20400E-02 5659 0.292E-01 0.239E-01 RMM: 4 -0.331565570791E+03 0.53962E-03 -0.15315E-03 4966 0.824E-02 0.111E-01 RMM: 5 -0.331565500349E+03 0.70443E-04 -0.19763E-04 4714 0.307E-02 0.859E-02 RMM: 6 -0.331565465300E+03 0.35049E-04 -0.30334E-05 2724 0.166E-02 0.604E-02 RMM: 7 -0.331565481417E+03 -0.16117E-04 -0.68616E-05 3491 0.221E-02 8906 T= 7787. E= 0.67568319E+03 F= 0.62470351E+03 E0= 0.65302533E+03 EK= 0.63415E+02 SP= -.13E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330026040388E+03 0.15394E+01 -0.31320E-01 8800 0.259E+01 0.225E-01 RMM: 2 -0.330055429781E+03 -0.29389E-01 -0.24455E-01 5625 0.104E+00 0.973E-01 RMM: 3 -0.330047395448E+03 0.80343E-02 -0.17254E-02 5802 0.257E-01 0.221E-01 RMM: 4 -0.330046916696E+03 0.47875E-03 -0.10963E-03 4841 0.729E-02 0.123E-01 RMM: 5 -0.330046845295E+03 0.71402E-04 -0.15750E-04 3988 0.307E-02 0.870E-02 RMM: 6 -0.330046819986E+03 0.25309E-04 -0.33671E-05 2873 0.175E-02 0.719E-02 RMM: 7 -0.330046853795E+03 -0.33809E-04 -0.79788E-05 3685 0.236E-02 0.103E-01 RMM: 8 -0.330046792574E+03 0.61222E-04 -0.83120E-05 3815 0.227E-02 0.345E-02 RMM: 9 -0.330046791746E+03 0.82774E-06 -0.16335E-05 2531 0.117E-02 8907 T= 7653. E= 0.67569689E+03 F= 0.62622220E+03 E0= 0.65448273E+03 EK= 0.62320E+02 SP= -.13E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328323661467E+03 0.17231E+01 -0.28693E-01 8920 0.256E+01 0.256E-01 RMM: 2 -0.328352905606E+03 -0.29244E-01 -0.24815E-01 5422 0.106E+00 0.950E-01 RMM: 3 -0.328344897137E+03 0.80085E-02 -0.19333E-02 5796 0.272E-01 0.244E-01 RMM: 4 -0.328344365306E+03 0.53183E-03 -0.13351E-03 4898 0.816E-02 0.167E-01 RMM: 5 -0.328344209420E+03 0.15589E-03 -0.22138E-04 3955 0.374E-02 0.101E-01 RMM: 6 -0.328344157756E+03 0.51664E-04 -0.50394E-05 3188 0.211E-02 0.621E-02 RMM: 7 -0.328344174464E+03 -0.16708E-04 -0.39185E-05 2800 0.177E-02 8908 T= 7489. E= 0.67571259E+03 F= 0.62792481E+03 E0= 0.65612044E+03 EK= 0.60985E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326668310432E+03 0.16758E+01 -0.22089E-01 8856 0.252E+01 0.238E-01 RMM: 2 -0.326694867752E+03 -0.26557E-01 -0.20017E-01 5705 0.944E-01 0.107E+00 RMM: 3 -0.326685136822E+03 0.97309E-02 -0.13010E-02 5587 0.242E-01 0.245E-01 RMM: 4 -0.326684728468E+03 0.40835E-03 -0.10842E-03 4836 0.686E-02 0.120E-01 RMM: 5 -0.326684669734E+03 0.58734E-04 -0.14116E-04 3976 0.299E-02 0.968E-02 RMM: 6 -0.326684644757E+03 0.24977E-04 -0.35435E-05 2868 0.179E-02 0.796E-02 RMM: 7 -0.326684696034E+03 -0.51277E-04 -0.92412E-05 3817 0.245E-02 0.115E-01 RMM: 8 -0.326684626179E+03 0.69855E-04 -0.97664E-05 3880 0.248E-02 0.443E-02 RMM: 9 -0.326684623511E+03 0.26684E-05 -0.24235E-05 2647 0.143E-02 8909 T= 7323. E= 0.67572392E+03 F= 0.62958437E+03 E0= 0.65771480E+03 EK= 0.59638E+02 SP= -.14E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325213392580E+03 0.14712E+01 -0.18800E-01 8608 0.248E+01 0.231E-01 RMM: 2 -0.325238586038E+03 -0.25193E-01 -0.20654E-01 5298 0.942E-01 0.934E-01 RMM: 3 -0.325230313150E+03 0.82729E-02 -0.15412E-02 5735 0.253E-01 0.207E-01 RMM: 4 -0.325230047143E+03 0.26601E-03 -0.12602E-03 4896 0.812E-02 0.177E-01 RMM: 5 -0.325229852439E+03 0.19470E-03 -0.22046E-04 3930 0.377E-02 0.925E-02 RMM: 6 -0.325229800829E+03 0.51609E-04 -0.44689E-05 3079 0.205E-02 0.444E-02 RMM: 7 -0.325229805414E+03 -0.45850E-05 -0.25522E-05 2559 0.147E-02 8910 T= 7177. E= 0.67572693E+03 F= 0.63103918E+03 E0= 0.65911064E+03 EK= 0.58445E+02 SP= -.14E+02 SK= 0.97E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324008202372E+03 0.12216E+01 -0.17589E-01 8864 0.246E+01 0.199E-01 RMM: 2 -0.324030940481E+03 -0.22738E-01 -0.18441E-01 5577 0.868E-01 0.903E-01 RMM: 3 -0.324023134962E+03 0.78055E-02 -0.11411E-02 5718 0.222E-01 0.207E-01 RMM: 4 -0.324022815102E+03 0.31986E-03 -0.87482E-04 4900 0.608E-02 0.102E-01 RMM: 5 -0.324022766576E+03 0.48526E-04 -0.99010E-05 3898 0.243E-02 0.867E-02 RMM: 6 -0.324022748183E+03 0.18392E-04 -0.25441E-05 2579 0.153E-02 8911 T= 7056. E= 0.67572403E+03 F= 0.63224624E+03 E0= 0.66026766E+03 EK= 0.57461E+02 SP= -.14E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323002251210E+03 0.10205E+01 -0.20218E-01 8912 0.245E+01 0.326E-01 RMM: 2 -0.323041347004E+03 -0.39096E-01 -0.21840E-01 5463 0.973E-01 0.168E+00 RMM: 3 -0.323020068217E+03 0.21279E-01 -0.18769E-02 5390 0.312E-01 0.288E-01 RMM: 4 -0.323019513824E+03 0.55439E-03 -0.18696E-03 5124 0.829E-02 0.129E-01 RMM: 5 -0.323019430787E+03 0.83037E-04 -0.16700E-04 4224 0.328E-02 0.105E-01 RMM: 6 -0.323019406575E+03 0.24213E-04 -0.33834E-05 2722 0.166E-02 0.978E-02 RMM: 7 -0.323019457926E+03 -0.51352E-04 -0.11727E-04 3880 0.282E-02 0.132E-01 RMM: 8 -0.323019365822E+03 0.92104E-04 -0.20069E-04 3893 0.308E-02 0.595E-02 RMM: 9 -0.323019347126E+03 0.18697E-04 -0.35062E-05 2868 0.166E-02 8912 T= 6957. E= 0.67572081E+03 F= 0.63324964E+03 E0= 0.66123357E+03 EK= 0.56654E+02 SP= -.14E+02 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322144045677E+03 0.87532E+00 -0.23751E-01 9008 0.244E+01 0.393E-01 RMM: 2 -0.322185570333E+03 -0.41525E-01 -0.25706E-01 5461 0.105E+00 0.166E+00 RMM: 3 -0.322164972187E+03 0.20598E-01 -0.22112E-02 5389 0.338E-01 0.402E-01 RMM: 4 -0.322164046932E+03 0.92525E-03 -0.27617E-03 5274 0.112E-01 0.197E-01 RMM: 5 -0.322163953393E+03 0.93539E-04 -0.38858E-04 3991 0.448E-02 0.178E-01 RMM: 6 -0.322163761275E+03 0.19212E-03 -0.11808E-04 3776 0.306E-02 0.636E-02 RMM: 7 -0.322163791483E+03 -0.30208E-04 -0.59257E-05 3338 0.204E-02 0.913E-02 RMM: 8 -0.322163759846E+03 0.31637E-04 -0.66194E-05 3516 0.224E-02 0.451E-02 RMM: 9 -0.322163752840E+03 0.70062E-05 -0.21259E-05 2581 0.137E-02 8913 T= 6874. E= 0.67572100E+03 F= 0.63410524E+03 E0= 0.66206486E+03 EK= 0.55977E+02 SP= -.14E+02 SK= 0.52E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321421814402E+03 0.74195E+00 -0.27603E-01 8960 0.242E+01 0.264E-01 RMM: 2 -0.321459046993E+03 -0.37233E-01 -0.27022E-01 5845 0.104E+00 0.133E+00 RMM: 3 -0.321444493079E+03 0.14554E-01 -0.16436E-02 5521 0.275E-01 0.251E-01 RMM: 4 -0.321444056903E+03 0.43618E-03 -0.14605E-03 4929 0.786E-02 0.130E-01 RMM: 5 -0.321443961231E+03 0.95672E-04 -0.17602E-04 4442 0.304E-02 0.969E-02 RMM: 6 -0.321443931721E+03 0.29509E-04 -0.29643E-05 2757 0.163E-02 0.828E-02 RMM: 7 -0.321443936785E+03 -0.50637E-05 -0.64149E-05 3417 0.217E-02 8914 T= 6806. E= 0.67572332E+03 F= 0.63482505E+03 E0= 0.66277259E+03 EK= 0.55421E+02 SP= -.15E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320867181501E+03 0.57675E+00 -0.31589E-01 9072 0.241E+01 0.225E-01 RMM: 2 -0.320900687626E+03 -0.33506E-01 -0.28696E-01 6115 0.105E+00 0.954E-01 RMM: 3 -0.320891558508E+03 0.91291E-02 -0.15928E-02 5665 0.260E-01 0.226E-01 RMM: 4 -0.320891140471E+03 0.41804E-03 -0.11510E-03 5052 0.682E-02 0.126E-01 RMM: 5 -0.320891063829E+03 0.76641E-04 -0.12380E-04 4247 0.263E-02 0.965E-02 RMM: 6 -0.320891047683E+03 0.16146E-04 -0.25230E-05 2598 0.153E-02 8915 T= 6756. E= 0.67572611E+03 F= 0.63537794E+03 E0= 0.66332761E+03 EK= 0.55018E+02 SP= -.15E+02 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320527063393E+03 0.36400E+00 -0.38073E-01 8912 0.240E+01 0.371E-01 RMM: 2 -0.320581155492E+03 -0.54092E-01 -0.33917E-01 5446 0.118E+00 0.183E+00 RMM: 3 -0.320555062872E+03 0.26093E-01 -0.28007E-02 5508 0.361E-01 0.410E-01 RMM: 4 -0.320553777191E+03 0.12857E-02 -0.27415E-03 5389 0.104E-01 0.140E-01 RMM: 5 -0.320553709067E+03 0.68125E-04 -0.34606E-04 5228 0.324E-02 0.122E-01 RMM: 6 -0.320553668872E+03 0.40194E-04 -0.29255E-05 2696 0.166E-02 0.109E-01 RMM: 7 -0.320553724431E+03 -0.55559E-04 -0.90704E-05 3725 0.246E-02 0.143E-01 RMM: 8 -0.320553640301E+03 0.84131E-04 -0.29286E-04 3931 0.354E-02 0.855E-02 RMM: 9 -0.320553597584E+03 0.42717E-04 -0.55232E-05 3236 0.196E-02 0.311E-02 RMM: 10 -0.320553602524E+03 -0.49398E-05 -0.15762E-05 2500 0.124E-02 8916 T= 6732. E= 0.67572835E+03 F= 0.63571539E+03 E0= 0.66367868E+03 EK= 0.54820E+02 SP= -.15E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320449274028E+03 0.10432E+00 -0.41216E-01 8880 0.240E+01 0.400E-01 RMM: 2 -0.320502943925E+03 -0.53670E-01 -0.32703E-01 5689 0.112E+00 0.183E+00 RMM: 3 -0.320475578834E+03 0.27365E-01 -0.22670E-02 5473 0.328E-01 0.375E-01 RMM: 4 -0.320474835724E+03 0.74311E-03 -0.30592E-03 5297 0.122E-01 0.241E-01 RMM: 5 -0.320474789077E+03 0.46647E-04 -0.56071E-04 4353 0.546E-02 0.226E-01 RMM: 6 -0.320474470217E+03 0.31886E-03 -0.19900E-04 3888 0.380E-02 0.704E-02 RMM: 7 -0.320474505372E+03 -0.35155E-04 -0.82150E-05 3616 0.238E-02 0.949E-02 RMM: 8 -0.320474491541E+03 0.13831E-04 -0.68961E-05 3593 0.227E-02 8917 T= 6738. E= 0.67572959E+03 F= 0.63579450E+03 E0= 0.66378073E+03 EK= 0.54869E+02 SP= -.15E+02 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320654503651E+03 -0.18000E+00 -0.44297E-01 8920 0.241E+01 0.227E-01 RMM: 2 -0.320689141200E+03 -0.34638E-01 -0.30618E-01 6073 0.109E+00 0.914E-01 RMM: 3 -0.320680763725E+03 0.83775E-02 -0.15713E-02 6042 0.246E-01 0.200E-01 RMM: 4 -0.320680358276E+03 0.40545E-03 -0.10402E-03 4894 0.676E-02 0.127E-01 RMM: 5 -0.320680265105E+03 0.93171E-04 -0.15016E-04 3934 0.294E-02 0.858E-02 RMM: 6 -0.320680233917E+03 0.31188E-04 -0.37886E-05 2987 0.186E-02 0.627E-02 RMM: 7 -0.320680248226E+03 -0.14309E-04 -0.45275E-05 3070 0.185E-02 8918 T= 6777. E= 0.67572823E+03 F= 0.63558874E+03 E0= 0.66360406E+03 EK= 0.55192E+02 SP= -.15E+02 SK= 0.24E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321147023118E+03 -0.46679E+00 -0.43727E-01 8864 0.243E+01 0.229E-01 RMM: 2 -0.321181389806E+03 -0.34367E-01 -0.29331E-01 6070 0.108E+00 0.979E-01 RMM: 3 -0.321172539342E+03 0.88505E-02 -0.14972E-02 5825 0.248E-01 0.217E-01 RMM: 4 -0.321172117270E+03 0.42207E-03 -0.10829E-03 4887 0.687E-02 0.119E-01 RMM: 5 -0.321172025361E+03 0.91909E-04 -0.15121E-04 3997 0.297E-02 0.830E-02 RMM: 6 -0.321171999668E+03 0.25693E-04 -0.36005E-05 2922 0.179E-02 0.641E-02 RMM: 7 -0.321172015587E+03 -0.15919E-04 -0.53310E-05 3282 0.193E-02 8919 T= 6851. E= 0.67572486E+03 F= 0.63509697E+03 E0= 0.66314463E+03 EK= 0.55788E+02 SP= -.15E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321903888717E+03 -0.73189E+00 -0.40354E-01 8936 0.246E+01 0.280E-01 RMM: 2 -0.321942413924E+03 -0.38525E-01 -0.29368E-01 5749 0.110E+00 0.129E+00 RMM: 3 -0.321928854522E+03 0.13559E-01 -0.18925E-02 5733 0.281E-01 0.251E-01 RMM: 4 -0.321928328753E+03 0.52577E-03 -0.15407E-03 4926 0.814E-02 0.145E-01 RMM: 5 -0.321928252039E+03 0.76713E-04 -0.23592E-04 3899 0.368E-02 0.117E-01 RMM: 6 -0.321928171254E+03 0.80785E-04 -0.74041E-05 3495 0.245E-02 0.601E-02 RMM: 7 -0.321928189047E+03 -0.17793E-04 -0.38952E-05 2952 0.181E-02 8920 T= 6955. E= 0.67572077E+03 F= 0.63434080E+03 E0= 0.66241990E+03 EK= 0.56636E+02 SP= -.15E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322890114121E+03 -0.96194E+00 -0.35930E-01 8952 0.250E+01 0.323E-01 RMM: 2 -0.322933578152E+03 -0.43464E-01 -0.30955E-01 5215 0.119E+00 0.148E+00 RMM: 3 -0.322916646336E+03 0.16932E-01 -0.28015E-02 5726 0.337E-01 0.312E-01 RMM: 4 -0.322915708644E+03 0.93769E-03 -0.21459E-03 5300 0.950E-02 0.131E-01 RMM: 5 -0.322915649349E+03 0.59294E-04 -0.29741E-04 4025 0.384E-02 0.119E-01 RMM: 6 -0.322915571278E+03 0.78071E-04 -0.77358E-05 3518 0.244E-02 0.643E-02 RMM: 7 -0.322915585578E+03 -0.14299E-04 -0.37293E-05 2910 0.177E-02 8921 T= 7085. E= 0.67571641E+03 F= 0.63335340E+03 E0= 0.66146207E+03 EK= 0.57697E+02 SP= -.15E+02 SK= 0.75E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324070804995E+03 -0.11552E+01 -0.31825E-01 9000 0.253E+01 0.314E-01 RMM: 2 -0.324115473439E+03 -0.44668E-01 -0.29138E-01 5078 0.119E+00 0.161E+00 RMM: 3 -0.324096064371E+03 0.19409E-01 -0.27406E-02 5606 0.345E-01 0.317E-01 RMM: 4 -0.324095184411E+03 0.87996E-03 -0.22196E-03 5245 0.970E-02 0.135E-01 RMM: 5 -0.324095112068E+03 0.72343E-04 -0.29292E-04 4010 0.381E-02 0.115E-01 RMM: 6 -0.324095033750E+03 0.78317E-04 -0.74046E-05 3505 0.237E-02 0.648E-02 RMM: 7 -0.324095052449E+03 -0.18699E-04 -0.44312E-05 3065 0.188E-02 8922 T= 7236. E= 0.67571113E+03 F= 0.63217394E+03 E0= 0.66030732E+03 EK= 0.58926E+02 SP= -.15E+02 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325399963601E+03 -0.13049E+01 -0.24827E-01 8968 0.256E+01 0.359E-01 RMM: 2 -0.325442991877E+03 -0.43028E-01 -0.25705E-01 5085 0.112E+00 0.170E+00 RMM: 3 -0.325421555961E+03 0.21436E-01 -0.26908E-02 5536 0.354E-01 0.365E-01 RMM: 4 -0.325420519660E+03 0.10363E-02 -0.24910E-03 5332 0.102E-01 0.133E-01 RMM: 5 -0.325420457959E+03 0.61701E-04 -0.32636E-04 3977 0.398E-02 0.128E-01 RMM: 6 -0.325420356415E+03 0.10154E-03 -0.84085E-05 3617 0.257E-02 0.629E-02 RMM: 7 -0.325420362701E+03 -0.62865E-05 -0.34809E-05 2867 0.171E-02 8923 T= 7401. E= 0.67570572E+03 F= 0.63084863E+03 E0= 0.65900195E+03 EK= 0.60270E+02 SP= -.15E+02 SK= 0.41E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.326822397421E+03 -0.14020E+01 -0.20996E-01 8576 0.259E+01 0.314E-01 RMM: 2 -0.326861074883E+03 -0.38677E-01 -0.23731E-01 5084 0.109E+00 0.160E+00 RMM: 3 -0.326842626718E+03 0.18448E-01 -0.23775E-02 5588 0.326E-01 0.317E-01 RMM: 4 -0.326841803941E+03 0.82278E-03 -0.19967E-03 5127 0.934E-02 0.137E-01 RMM: 5 -0.326841710517E+03 0.93424E-04 -0.25975E-04 3925 0.374E-02 0.111E-01 RMM: 6 -0.326841637828E+03 0.72690E-04 -0.66501E-05 3427 0.229E-02 0.673E-02 RMM: 7 -0.326841647142E+03 -0.93145E-05 -0.51914E-05 3201 0.202E-02 8924 T= 7573. E= 0.67569982E+03 F= 0.62942734E+03 E0= 0.65759437E+03 EK= 0.61670E+02 SP= -.15E+02 SK= 0.22E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328288851428E+03 -0.14472E+01 -0.16989E-01 8128 0.262E+01 0.326E-01 RMM: 2 -0.328321769402E+03 -0.32918E-01 -0.19437E-01 5201 0.991E-01 0.152E+00 RMM: 3 -0.328304648235E+03 0.17121E-01 -0.19420E-02 5513 0.309E-01 0.345E-01 RMM: 4 -0.328303816820E+03 0.83141E-03 -0.19385E-03 4997 0.932E-02 0.138E-01 RMM: 5 -0.328303739726E+03 0.77095E-04 -0.27916E-04 3915 0.399E-02 0.125E-01 RMM: 6 -0.328303637962E+03 0.10176E-03 -0.76612E-05 3546 0.255E-02 0.586E-02 RMM: 7 -0.328303636353E+03 0.16092E-05 -0.33978E-05 2776 0.173E-02 8925 T= 7744. E= 0.67569381E+03 F= 0.62796535E+03 E0= 0.65614008E+03 EK= 0.63063E+02 SP= -.15E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329734616679E+03 -0.14310E+01 -0.15668E-01 7840 0.265E+01 0.290E-01 RMM: 2 -0.329764313550E+03 -0.29697E-01 -0.16975E-01 5273 0.927E-01 0.149E+00 RMM: 3 -0.329748386759E+03 0.15927E-01 -0.15745E-02 5550 0.274E-01 0.294E-01 RMM: 4 -0.329747759020E+03 0.62774E-03 -0.15411E-03 4817 0.845E-02 0.133E-01 RMM: 5 -0.329747654949E+03 0.10407E-03 -0.21894E-04 3898 0.370E-02 0.106E-01 RMM: 6 -0.329747588386E+03 0.66562E-04 -0.56097E-05 3266 0.219E-02 0.651E-02 RMM: 7 -0.329747585171E+03 0.32157E-05 -0.46802E-05 3012 0.198E-02 8926 T= 7906. E= 0.67568787E+03 F= 0.62652140E+03 E0= 0.65469798E+03 EK= 0.64378E+02 SP= -.15E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331102153192E+03 -0.13546E+01 -0.15135E-01 7976 0.266E+01 0.280E-01 RMM: 2 -0.331128589361E+03 -0.26436E-01 -0.16973E-01 5127 0.941E-01 0.129E+00 RMM: 3 -0.331116034270E+03 0.12555E-01 -0.17136E-02 5609 0.283E-01 0.297E-01 RMM: 4 -0.331115405620E+03 0.62865E-03 -0.14746E-03 4866 0.829E-02 0.126E-01 RMM: 5 -0.331115317688E+03 0.87932E-04 -0.21033E-04 3907 0.359E-02 0.108E-01 RMM: 6 -0.331115249881E+03 0.67807E-04 -0.53100E-05 3211 0.218E-02 0.623E-02 RMM: 7 -0.331115246691E+03 0.31899E-05 -0.31422E-05 2627 0.167E-02 8927 T= 8049. E= 0.67568276E+03 F= 0.62515374E+03 E0= 0.65332711E+03 EK= 0.65550E+02 SP= -.15E+02 SK= 0.69E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332343802329E+03 -0.12286E+01 -0.15560E-01 8360 0.267E+01 0.264E-01 RMM: 2 -0.332369797425E+03 -0.25995E-01 -0.16457E-01 5203 0.911E-01 0.129E+00 RMM: 3 -0.332357087726E+03 0.12710E-01 -0.15419E-02 5539 0.270E-01 0.257E-01 RMM: 4 -0.332356611979E+03 0.47575E-03 -0.13201E-03 4833 0.774E-02 0.131E-01 RMM: 5 -0.332356509680E+03 0.10230E-03 -0.17926E-04 3914 0.352E-02 0.982E-02 RMM: 6 -0.332356458290E+03 0.51391E-04 -0.43764E-05 3058 0.197E-02 0.668E-02 RMM: 7 -0.332356455410E+03 0.28802E-05 -0.34807E-05 2661 0.176E-02 8928 T= 8168. E= 0.67567797E+03 F= 0.62391253E+03 E0= 0.65207955E+03 EK= 0.66519E+02 SP= -.15E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333407216829E+03 -0.10508E+01 -0.16130E-01 8448 0.268E+01 0.259E-01 RMM: 2 -0.333431692350E+03 -0.24476E-01 -0.16962E-01 5156 0.920E-01 0.118E+00 RMM: 3 -0.333420894024E+03 0.10798E-01 -0.16029E-02 5648 0.273E-01 0.238E-01 RMM: 4 -0.333420472432E+03 0.42159E-03 -0.12337E-03 4845 0.747E-02 0.127E-01 RMM: 5 -0.333420384695E+03 0.87737E-04 -0.16571E-04 3913 0.342E-02 0.980E-02 RMM: 6 -0.333420334508E+03 0.50187E-04 -0.43228E-05 3034 0.196E-02 0.645E-02 RMM: 7 -0.333420333127E+03 0.13817E-05 -0.35441E-05 2730 0.177E-02 8929 T= 8255. E= 0.67567307E+03 F= 0.62284866E+03 E0= 0.65100837E+03 EK= 0.67226E+02 SP= -.15E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334233080865E+03 -0.81275E+00 -0.16445E-01 8544 0.267E+01 0.235E-01 RMM: 2 -0.334257668646E+03 -0.24588E-01 -0.17380E-01 5258 0.894E-01 0.113E+00 RMM: 3 -0.334247050915E+03 0.10618E-01 -0.15240E-02 5512 0.266E-01 0.232E-01 RMM: 4 -0.334246665910E+03 0.38500E-03 -0.12518E-03 4888 0.737E-02 0.123E-01 RMM: 5 -0.334246583446E+03 0.82464E-04 -0.16521E-04 3910 0.336E-02 0.916E-02 RMM: 6 -0.334246541166E+03 0.42280E-04 -0.37306E-05 2911 0.184E-02 0.632E-02 RMM: 7 -0.334246544256E+03 -0.30901E-05 -0.33150E-05 2657 0.171E-02 8930 T= 8302. E= 0.67566812E+03 F= 0.62202245E+03 E0= 0.65017622E+03 EK= 0.67607E+02 SP= -.14E+02 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334754969464E+03 -0.50843E+00 -0.17702E-01 8568 0.266E+01 0.221E-01 RMM: 2 -0.334779331636E+03 -0.24362E-01 -0.19625E-01 5195 0.946E-01 0.966E-01 RMM: 3 -0.334771115299E+03 0.82163E-02 -0.17474E-02 5716 0.273E-01 0.213E-01 RMM: 4 -0.334770735568E+03 0.37973E-03 -0.11281E-03 5007 0.701E-02 0.112E-01 RMM: 5 -0.334770665366E+03 0.70202E-04 -0.14239E-04 3844 0.314E-02 0.933E-02 RMM: 6 -0.334770628375E+03 0.36990E-04 -0.36154E-05 2882 0.180E-02 0.662E-02 RMM: 7 -0.334770629859E+03 -0.14836E-05 -0.48485E-05 3115 0.191E-02 8931 T= 8301. E= 0.67566475E+03 F= 0.62149836E+03 E0= 0.64964964E+03 EK= 0.67598E+02 SP= -.14E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334925702104E+03 -0.15507E+00 -0.19823E-01 8688 0.264E+01 0.213E-01 RMM: 2 -0.334952939477E+03 -0.27237E-01 -0.22183E-01 5358 0.993E-01 0.965E-01 RMM: 3 -0.334944581634E+03 0.83578E-02 -0.18560E-02 5748 0.274E-01 0.208E-01 RMM: 4 -0.334944151803E+03 0.42983E-03 -0.11707E-03 4852 0.736E-02 0.125E-01 RMM: 5 -0.334944068887E+03 0.82916E-04 -0.16106E-04 3940 0.328E-02 0.883E-02 RMM: 6 -0.334944036432E+03 0.32455E-04 -0.34848E-05 2857 0.177E-02 0.644E-02 RMM: 7 -0.334944050044E+03 -0.13612E-04 -0.40668E-05 2921 0.184E-02 8932 T= 8247. E= 0.67566382E+03 F= 0.62132494E+03 E0= 0.64947902E+03 EK= 0.67156E+02 SP= -.13E+02 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334730019091E+03 0.21402E+00 -0.21543E-01 8888 0.261E+01 0.228E-01 RMM: 2 -0.334758631523E+03 -0.28612E-01 -0.24091E-01 5321 0.102E+00 0.954E-01 RMM: 3 -0.334750204604E+03 0.84269E-02 -0.18062E-02 5766 0.280E-01 0.202E-01 RMM: 4 -0.334749852868E+03 0.35174E-03 -0.11832E-03 5094 0.710E-02 0.121E-01 RMM: 5 -0.334749768085E+03 0.84783E-04 -0.13796E-04 4014 0.311E-02 0.937E-02 RMM: 6 -0.334749733796E+03 0.34289E-04 -0.36964E-05 2902 0.181E-02 0.680E-02 RMM: 7 -0.334749746479E+03 -0.12682E-04 -0.51077E-05 3179 0.199E-02 8933 T= 8138. E= 0.67566622E+03 F= 0.62151924E+03 E0= 0.64968197E+03 EK= 0.66271E+02 SP= -.13E+02 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334193105039E+03 0.55663E+00 -0.22449E-01 8960 0.257E+01 0.229E-01 RMM: 2 -0.334222716490E+03 -0.29611E-01 -0.23926E-01 5736 0.977E-01 0.102E+00 RMM: 3 -0.334212991192E+03 0.97253E-02 -0.14206E-02 5652 0.257E-01 0.203E-01 RMM: 4 -0.334212713775E+03 0.27742E-03 -0.11604E-03 4859 0.721E-02 0.141E-01 RMM: 5 -0.334212603302E+03 0.11047E-03 -0.15658E-04 3902 0.324E-02 0.906E-02 RMM: 6 -0.334212565900E+03 0.37402E-04 -0.37348E-05 2968 0.184E-02 0.599E-02 RMM: 7 -0.334212584800E+03 -0.18899E-04 -0.38211E-05 2842 0.180E-02 8934 T= 7979. E= 0.67567141E+03 F= 0.62205640E+03 E0= 0.65023179E+03 EK= 0.64979E+02 SP= -.12E+02 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333377113824E+03 0.83545E+00 -0.23956E-01 8936 0.253E+01 0.246E-01 RMM: 2 -0.333409176984E+03 -0.32063E-01 -0.26418E-01 5523 0.103E+00 0.104E+00 RMM: 3 -0.333399015168E+03 0.10162E-01 -0.17426E-02 5766 0.276E-01 0.209E-01 RMM: 4 -0.333398672450E+03 0.34272E-03 -0.12544E-03 5059 0.723E-02 0.131E-01 RMM: 5 -0.333398572072E+03 0.10038E-03 -0.15516E-04 3963 0.317E-02 0.986E-02 RMM: 6 -0.333398524950E+03 0.47122E-04 -0.44090E-05 3048 0.195E-02 0.620E-02 RMM: 7 -0.333398536965E+03 -0.12015E-04 -0.58878E-05 3315 0.206E-02 8935 T= 7781. E= 0.67567900E+03 F= 0.62287045E+03 E0= 0.65106210E+03 EK= 0.63362E+02 SP= -.12E+02 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332382797787E+03 0.10157E+01 -0.25997E-01 8936 0.248E+01 0.229E-01 RMM: 2 -0.332415920488E+03 -0.33123E-01 -0.27289E-01 5681 0.104E+00 0.104E+00 RMM: 3 -0.332405582424E+03 0.10338E-01 -0.16404E-02 5772 0.265E-01 0.186E-01 RMM: 4 -0.332405308261E+03 0.27416E-03 -0.11792E-03 4903 0.725E-02 0.150E-01 RMM: 5 -0.332405174181E+03 0.13408E-03 -0.16657E-04 3906 0.335E-02 0.877E-02 RMM: 6 -0.332405140132E+03 0.34048E-04 -0.39342E-05 2990 0.185E-02 0.602E-02 RMM: 7 -0.332405156598E+03 -0.16466E-04 -0.46067E-05 3020 0.190E-02 8936 T= 7556. E= 0.67568780E+03 F= 0.62386383E+03 E0= 0.65207399E+03 EK= 0.61530E+02 SP= -.11E+02 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331322958468E+03 0.10822E+01 -0.27331E-01 9016 0.244E+01 0.234E-01 RMM: 2 -0.331355037262E+03 -0.32079E-01 -0.26908E-01 5829 0.102E+00 0.100E+00 RMM: 3 -0.331345749322E+03 0.92879E-02 -0.15195E-02 5708 0.258E-01 0.209E-01 RMM: 4 -0.331345438210E+03 0.31111E-03 -0.11529E-03 4901 0.705E-02 0.134E-01 RMM: 5 -0.331345325056E+03 0.11315E-03 -0.15609E-04 3970 0.307E-02 0.918E-02 RMM: 6 -0.331345286578E+03 0.38478E-04 -0.41556E-05 3039 0.190E-02 0.583E-02 RMM: 7 -0.331345303063E+03 -0.16485E-04 -0.42827E-05 2977 0.186E-02 8937 T= 7320. E= 0.67569572E+03 F= 0.62492369E+03 E0= 0.65315373E+03 EK= 0.59610E+02 SP= -.10E+02 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330305732932E+03 0.10396E+01 -0.28690E-01 9000 0.239E+01 0.214E-01 RMM: 2 -0.330337244211E+03 -0.31511E-01 -0.27537E-01 5716 0.105E+00 0.891E-01 RMM: 3 -0.330329443776E+03 0.78004E-02 -0.16196E-02 5835 0.256E-01 0.178E-01 RMM: 4 -0.330329149138E+03 0.29464E-03 -0.10630E-03 4901 0.698E-02 0.142E-01 RMM: 5 -0.330329028039E+03 0.12110E-03 -0.15848E-04 3900 0.324E-02 0.861E-02 RMM: 6 -0.330328995716E+03 0.32324E-04 -0.41238E-05 3038 0.187E-02 0.580E-02 RMM: 7 -0.330329015236E+03 -0.19520E-04 -0.40337E-05 2887 0.181E-02 8938 T= 7088. E= 0.67570192E+03 F= 0.62593997E+03 E0= 0.65419017E+03 EK= 0.57724E+02 SP= -.93E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329429067646E+03 0.89993E+00 -0.26887E-01 9088 0.236E+01 0.236E-01 RMM: 2 -0.329459503914E+03 -0.30436E-01 -0.25323E-01 5816 0.100E+00 0.999E-01 RMM: 3 -0.329450618790E+03 0.88851E-02 -0.14261E-02 5774 0.248E-01 0.200E-01 RMM: 4 -0.329450308156E+03 0.31063E-03 -0.10985E-03 4927 0.687E-02 0.135E-01 RMM: 5 -0.329450214402E+03 0.93754E-04 -0.15656E-04 3896 0.315E-02 0.945E-02 RMM: 6 -0.329450167909E+03 0.46493E-04 -0.46239E-05 3128 0.200E-02 0.529E-02 RMM: 7 -0.329450186161E+03 -0.18252E-04 -0.40253E-05 2955 0.183E-02 8939 T= 6874. E= 0.67570699E+03 F= 0.62681880E+03 E0= 0.65508996E+03 EK= 0.55978E+02 SP= -.84E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328758779504E+03 0.69139E+00 -0.25103E-01 8952 0.233E+01 0.237E-01 RMM: 2 -0.328788864822E+03 -0.30085E-01 -0.24358E-01 5658 0.985E-01 0.104E+00 RMM: 3 -0.328779395815E+03 0.94690E-02 -0.15218E-02 5785 0.252E-01 0.212E-01 RMM: 4 -0.328779003409E+03 0.39241E-03 -0.11497E-03 4937 0.707E-02 0.120E-01 RMM: 5 -0.328778945624E+03 0.57786E-04 -0.16681E-04 3892 0.325E-02 0.984E-02 RMM: 6 -0.328778890582E+03 0.55042E-04 -0.45210E-05 3105 0.196E-02 0.527E-02 RMM: 7 -0.328778906920E+03 -0.16338E-04 -0.32499E-05 2728 0.168E-02 8940 T= 6686. E= 0.67571018E+03 F= 0.62749008E+03 E0= 0.65578287E+03 EK= 0.54447E+02 SP= -.76E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328335898188E+03 0.44299E+00 -0.22725E-01 9024 0.231E+01 0.242E-01 RMM: 2 -0.328365481764E+03 -0.29584E-01 -0.22127E-01 5678 0.937E-01 0.116E+00 RMM: 3 -0.328354567139E+03 0.10915E-01 -0.14456E-02 5618 0.249E-01 0.248E-01 RMM: 4 -0.328354069059E+03 0.49808E-03 -0.12268E-03 4910 0.719E-02 0.106E-01 RMM: 5 -0.328354026350E+03 0.42709E-04 -0.16922E-04 3955 0.316E-02 0.957E-02 RMM: 6 -0.328353974342E+03 0.52007E-04 -0.44727E-05 3114 0.197E-02 0.500E-02 RMM: 7 -0.328353986514E+03 -0.12172E-04 -0.33144E-05 2802 0.172E-02 8941 T= 6530. E= 0.67571093E+03 F= 0.62791500E+03 E0= 0.65623053E+03 EK= 0.53175E+02 SP= -.68E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328165023476E+03 0.18895E+00 -0.20913E-01 8936 0.230E+01 0.224E-01 RMM: 2 -0.328191599863E+03 -0.26576E-01 -0.20590E-01 5553 0.925E-01 0.104E+00 RMM: 3 -0.328182525713E+03 0.90741E-02 -0.13845E-02 5716 0.241E-01 0.205E-01 RMM: 4 -0.328182156151E+03 0.36956E-03 -0.10641E-03 4956 0.676E-02 0.104E-01 RMM: 5 -0.328182109738E+03 0.46412E-04 -0.14519E-04 3876 0.296E-02 0.921E-02 RMM: 6 -0.328182061260E+03 0.48478E-04 -0.35488E-05 2939 0.179E-02 0.491E-02 RMM: 7 -0.328182074540E+03 -0.13280E-04 -0.25395E-05 2603 0.147E-02 8942 T= 6406. E= 0.67570978E+03 F= 0.62808691E+03 E0= 0.65642729E+03 EK= 0.52171E+02 SP= -.59E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328233106528E+03 -0.51045E-01 -0.17703E-01 8952 0.230E+01 0.210E-01 RMM: 2 -0.328255509696E+03 -0.22403E-01 -0.17315E-01 5619 0.831E-01 0.985E-01 RMM: 3 -0.328247359714E+03 0.81500E-02 -0.11295E-02 5713 0.218E-01 0.202E-01 RMM: 4 -0.328247017420E+03 0.34229E-03 -0.91261E-04 4954 0.614E-02 0.984E-02 RMM: 5 -0.328246969369E+03 0.48052E-04 -0.11675E-04 3753 0.270E-02 0.794E-02 RMM: 6 -0.328246936846E+03 0.32523E-04 -0.29743E-05 2837 0.167E-02 0.506E-02 RMM: 7 -0.328246945480E+03 -0.86341E-05 -0.31387E-05 2726 0.166E-02 8943 T= 6314. E= 0.67570752E+03 F= 0.62802204E+03 E0= 0.65638989E+03 EK= 0.51420E+02 SP= -.51E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328505527502E+03 -0.25859E+00 -0.15436E-01 9064 0.231E+01 0.199E-01 RMM: 2 -0.328525656055E+03 -0.20129E-01 -0.15343E-01 5463 0.790E-01 0.940E-01 RMM: 3 -0.328517968969E+03 0.76871E-02 -0.10883E-02 5732 0.211E-01 0.177E-01 RMM: 4 -0.328517696112E+03 0.27286E-03 -0.86829E-04 4862 0.606E-02 0.103E-01 RMM: 5 -0.328517637832E+03 0.58280E-04 -0.11337E-04 3762 0.263E-02 0.784E-02 RMM: 6 -0.328517603720E+03 0.34112E-04 -0.26632E-05 2728 0.158E-02 0.488E-02 RMM: 7 -0.328517610955E+03 -0.72349E-05 -0.27784E-05 2614 0.153E-02 8944 T= 6249. E= 0.67570440E+03 F= 0.62775138E+03 E0= 0.65615112E+03 EK= 0.50890E+02 SP= -.43E+01 SK= 0.14E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328943053254E+03 -0.42545E+00 -0.14410E-01 8832 0.231E+01 0.189E-01 RMM: 2 -0.328962253619E+03 -0.19200E-01 -0.14622E-01 5333 0.794E-01 0.943E-01 RMM: 3 -0.328954993168E+03 0.72605E-02 -0.11522E-02 5702 0.213E-01 0.190E-01 RMM: 4 -0.328954655380E+03 0.33779E-03 -0.81942E-04 4994 0.585E-02 0.847E-02 RMM: 5 -0.328954615448E+03 0.39932E-04 -0.96991E-05 3703 0.251E-02 0.732E-02 RMM: 6 -0.328954589869E+03 0.25579E-04 -0.25144E-05 2641 0.154E-02 0.498E-02 RMM: 7 -0.328954593221E+03 -0.33525E-05 -0.23123E-05 2574 0.143E-02 8945 T= 6207. E= 0.67570098E+03 F= 0.62731440E+03 E0= 0.65575057E+03 EK= 0.50543E+02 SP= -.35E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329504789160E+03 -0.55020E+00 -0.12778E-01 8880 0.232E+01 0.177E-01 RMM: 2 -0.329519453020E+03 -0.14664E-01 -0.11221E-01 5340 0.701E-01 0.825E-01 RMM: 3 -0.329513723383E+03 0.57296E-02 -0.84254E-03 5821 0.187E-01 0.157E-01 RMM: 4 -0.329513518608E+03 0.20478E-03 -0.60992E-04 4679 0.517E-02 0.971E-02 RMM: 5 -0.329513469951E+03 0.48657E-04 -0.84963E-05 3577 0.249E-02 0.720E-02 RMM: 6 -0.329513441747E+03 0.28204E-04 -0.23422E-05 2613 0.150E-02 0.450E-02 RMM: 7 -0.329513444984E+03 -0.32369E-05 -0.21432E-05 2558 0.137E-02 8946 T= 6181. E= 0.67569775E+03 F= 0.62675554E+03 E0= 0.65523282E+03 EK= 0.50332E+02 SP= -.27E+01 SK= 0.13E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330140000414E+03 -0.62656E+00 -0.12103E-01 8768 0.234E+01 0.179E-01 RMM: 2 -0.330153588646E+03 -0.13588E-01 -0.99535E-02 5292 0.671E-01 0.858E-01 RMM: 3 -0.330147846751E+03 0.57419E-02 -0.80896E-03 5821 0.184E-01 0.161E-01 RMM: 4 -0.330147630591E+03 0.21616E-03 -0.59846E-04 4697 0.512E-02 0.887E-02 RMM: 5 -0.330147589968E+03 0.40624E-04 -0.76863E-05 3555 0.232E-02 0.692E-02 RMM: 6 -0.330147566100E+03 0.23868E-04 -0.22200E-05 2576 0.146E-02 0.443E-02 RMM: 7 -0.330147568214E+03 -0.21144E-05 -0.17920E-05 2532 0.125E-02 8947 T= 6166. E= 0.67569403E+03 F= 0.62612142E+03 E0= 0.65464367E+03 EK= 0.50211E+02 SP= -.19E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330800539121E+03 -0.65297E+00 -0.11927E-01 8416 0.234E+01 0.167E-01 RMM: 2 -0.330812850294E+03 -0.12311E-01 -0.92127E-02 5255 0.652E-01 0.792E-01 RMM: 3 -0.330807873843E+03 0.49765E-02 -0.78121E-03 5791 0.179E-01 0.150E-01 RMM: 4 -0.330807679533E+03 0.19431E-03 -0.55113E-04 4539 0.497E-02 0.902E-02 RMM: 5 -0.330807633754E+03 0.45779E-04 -0.73813E-05 3510 0.237E-02 0.643E-02 RMM: 6 -0.330807613655E+03 0.20099E-04 -0.20745E-05 2551 0.140E-02 0.451E-02 RMM: 7 -0.330807615296E+03 -0.16402E-05 -0.18808E-05 2551 0.130E-02 8948 T= 6156. E= 0.67569034E+03 F= 0.62546137E+03 E0= 0.65403125E+03 EK= 0.50129E+02 SP= -.11E+01 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331436549740E+03 -0.62894E+00 -0.11749E-01 8576 0.235E+01 0.160E-01 RMM: 2 -0.331447476357E+03 -0.10927E-01 -0.83345E-02 5227 0.628E-01 0.751E-01 RMM: 3 -0.331443216747E+03 0.42596E-02 -0.76353E-03 5705 0.177E-01 0.156E-01 RMM: 4 -0.331443033733E+03 0.18301E-03 -0.55648E-04 4499 0.497E-02 0.896E-02 RMM: 5 -0.331442990847E+03 0.42886E-04 -0.75937E-05 3513 0.237E-02 0.682E-02 RMM: 6 -0.331442967451E+03 0.23395E-04 -0.22403E-05 2569 0.147E-02 0.413E-02 RMM: 7 -0.331442966298E+03 0.11535E-05 -0.17012E-05 2521 0.124E-02 8949 T= 6144. E= 0.67568669E+03 F= 0.62482602E+03 E0= 0.65344422E+03 EK= 0.50036E+02 SP= -.33E+00 SK= 0.12E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331997149120E+03 -0.55418E+00 -0.11407E-01 8560 0.235E+01 0.149E-01 RMM: 2 -0.332007365682E+03 -0.10217E-01 -0.79076E-02 5283 0.607E-01 0.706E-01 RMM: 3 -0.332003446555E+03 0.39191E-02 -0.69934E-03 5756 0.165E-01 0.140E-01 RMM: 4 -0.332003281742E+03 0.16481E-03 -0.48142E-04 4342 0.475E-02 0.866E-02 RMM: 5 -0.332003239484E+03 0.42258E-04 -0.68190E-05 3408 0.232E-02 0.629E-02 RMM: 6 -0.332003221828E+03 0.17656E-04 -0.20272E-05 2542 0.137E-02 8950 T= 6126. E= 0.67568354E+03 F= 0.62426577E+03 E0= 0.65293042E+03 EK= 0.49884E+02 SP= 0.42E+00 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332438745763E+03 -0.43551E+00 -0.11445E-01 8552 0.235E+01 0.175E-01 RMM: 2 -0.332451733928E+03 -0.12988E-01 -0.76050E-02 5391 0.586E-01 0.984E-01 RMM: 3 -0.332444711695E+03 0.70222E-02 -0.69530E-03 5408 0.179E-01 0.183E-01 RMM: 4 -0.332444496560E+03 0.21513E-03 -0.66350E-04 4711 0.511E-02 0.800E-02 RMM: 5 -0.332444461796E+03 0.34764E-04 -0.65535E-05 3422 0.212E-02 0.660E-02 RMM: 6 -0.332444448686E+03 0.13110E-04 -0.19598E-05 2530 0.131E-02 8951 T= 6094. E= 0.67568151E+03 F= 0.62382454E+03 E0= 0.65253167E+03 EK= 0.49629E+02 SP= 0.12E+01 SK= 0.11E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332732702449E+03 -0.28824E+00 -0.12195E-01 8416 0.234E+01 0.291E-01 RMM: 2 -0.332756986800E+03 -0.24284E-01 -0.79086E-02 5347 0.634E-01 0.163E+00 RMM: 3 -0.332738527664E+03 0.18459E-01 -0.11207E-02 5376 0.250E-01 0.312E-01 RMM: 4 -0.332737832033E+03 0.69563E-03 -0.13209E-03 4656 0.762E-02 0.832E-02 RMM: 5 -0.332737809049E+03 0.22984E-04 -0.15196E-04 3941 0.289E-02 0.802E-02 RMM: 6 -0.332737776948E+03 0.32101E-04 -0.25268E-05 2593 0.151E-02 0.519E-02 RMM: 7 -0.332737787206E+03 -0.10257E-04 -0.21692E-05 2555 0.144E-02 8952 T= 6048. E= 0.67568093E+03 F= 0.62353120E+03 E0= 0.65227532E+03 EK= 0.49248E+02 SP= 0.19E+01 SK= 0.10E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332870653121E+03 -0.13288E+00 -0.12665E-01 8480 0.232E+01 0.245E-01 RMM: 2 -0.332888480746E+03 -0.17828E-01 -0.84908E-02 5408 0.604E-01 0.125E+00 RMM: 3 -0.332877037112E+03 0.11444E-01 -0.93135E-03 5367 0.216E-01 0.262E-01 RMM: 4 -0.332876634438E+03 0.40267E-03 -0.11514E-03 4665 0.721E-02 0.124E-01 RMM: 5 -0.332876639346E+03 -0.49077E-05 -0.19330E-04 3889 0.354E-02 8953 T= 5985. E= 0.67568279E+03 F= 0.62339235E+03 E0= 0.65216614E+03 EK= 0.48736E+02 SP= 0.26E+01 SK= 0.97E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332871232545E+03 0.54019E-02 -0.13466E-01 8720 0.230E+01 0.190E-01 RMM: 2 -0.332889075599E+03 -0.17843E-01 -0.10509E-01 5570 0.649E-01 0.113E+00 RMM: 3 -0.332879399123E+03 0.96765E-02 -0.80589E-03 5427 0.193E-01 0.184E-01 RMM: 4 -0.332879162917E+03 0.23621E-03 -0.76568E-04 5105 0.520E-02 0.881E-02 RMM: 5 -0.332879110092E+03 0.52825E-04 -0.61089E-05 3352 0.209E-02 0.712E-02 RMM: 6 -0.332879102755E+03 0.73363E-05 -0.23871E-05 2551 0.147E-02 8954 T= 5908. E= 0.67568656E+03 F= 0.62338989E+03 E0= 0.65218517E+03 EK= 0.48115E+02 SP= 0.33E+01 SK= 0.91E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332783297464E+03 0.95813E-01 -0.13298E-01 8384 0.227E+01 0.291E-01 RMM: 2 -0.332815665112E+03 -0.32368E-01 -0.10084E-01 5263 0.659E-01 0.185E+00 RMM: 3 -0.332791198149E+03 0.24467E-01 -0.13816E-02 5367 0.272E-01 0.298E-01 RMM: 4 -0.332790574859E+03 0.62329E-03 -0.15701E-03 4750 0.808E-02 0.105E-01 RMM: 5 -0.332790547482E+03 0.27376E-04 -0.17879E-04 3939 0.316E-02 0.964E-02 RMM: 6 -0.332790490746E+03 0.56736E-04 -0.31760E-05 2834 0.170E-02 0.506E-02 RMM: 7 -0.332790498521E+03 -0.77750E-05 -0.26130E-05 2609 0.159E-02 8955 T= 5825. E= 0.67569068E+03 F= 0.62347849E+03 E0= 0.65228746E+03 EK= 0.47433E+02 SP= 0.39E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332667019486E+03 0.12347E+00 -0.13465E-01 8680 0.224E+01 0.381E-01 RMM: 2 -0.332711893420E+03 -0.44874E-01 -0.12422E-01 5132 0.762E-01 0.225E+00 RMM: 3 -0.332676343889E+03 0.35550E-01 -0.17860E-02 5373 0.319E-01 0.405E-01 RMM: 4 -0.332675165656E+03 0.11782E-02 -0.23998E-03 5021 0.104E-01 0.124E-01 RMM: 5 -0.332675250290E+03 -0.84633E-04 -0.34679E-04 3926 0.430E-02 0.171E-01 RMM: 6 -0.332675062457E+03 0.18783E-03 -0.97188E-05 3702 0.285E-02 0.476E-02 RMM: 7 -0.332675054554E+03 0.79027E-05 -0.21038E-05 2589 0.135E-02 8956 T= 5742. E= 0.67569607E+03 F= 0.62359393E+03 E0= 0.65240896E+03 EK= 0.46756E+02 SP= 0.46E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332598210030E+03 0.76852E-01 -0.13442E-01 8632 0.221E+01 0.281E-01 RMM: 2 -0.332629013509E+03 -0.30803E-01 -0.12414E-01 5220 0.735E-01 0.172E+00 RMM: 3 -0.332607957191E+03 0.21056E-01 -0.13219E-02 5407 0.258E-01 0.280E-01 RMM: 4 -0.332607375581E+03 0.58161E-03 -0.14440E-03 4744 0.777E-02 0.997E-02 RMM: 5 -0.332607353018E+03 0.22562E-04 -0.17712E-04 3924 0.322E-02 0.963E-02 RMM: 6 -0.332607294783E+03 0.58235E-04 -0.35684E-05 2952 0.179E-02 0.458E-02 RMM: 7 -0.332607298547E+03 -0.37641E-05 -0.21318E-05 2543 0.144E-02 8957 T= 5668. E= 0.67570142E+03 F= 0.62366169E+03 E0= 0.65247554E+03 EK= 0.46161E+02 SP= 0.52E+01 SK= 0.70E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332649530983E+03 -0.42236E-01 -0.12836E-01 8744 0.218E+01 0.214E-01 RMM: 2 -0.332670391561E+03 -0.20861E-01 -0.12380E-01 5233 0.736E-01 0.118E+00 RMM: 3 -0.332659700689E+03 0.10691E-01 -0.11504E-02 5492 0.227E-01 0.206E-01 RMM: 4 -0.332659377895E+03 0.32279E-03 -0.10155E-03 4920 0.642E-02 0.852E-02 RMM: 5 -0.332659368274E+03 0.96213E-05 -0.12416E-04 3785 0.284E-02 8958 T= 5614. E= 0.67570575E+03 F= 0.62360962E+03 E0= 0.65241641E+03 EK= 0.45717E+02 SP= 0.58E+01 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332877254845E+03 -0.21788E+00 -0.12655E-01 8768 0.216E+01 0.151E-01 RMM: 2 -0.332893927279E+03 -0.16672E-01 -0.12629E-01 5572 0.717E-01 0.840E-01 RMM: 3 -0.332887888429E+03 0.60389E-02 -0.91140E-03 5588 0.192E-01 0.158E-01 RMM: 4 -0.332887665431E+03 0.22300E-03 -0.65277E-04 4708 0.510E-02 0.928E-02 RMM: 5 -0.332887616845E+03 0.48586E-04 -0.64630E-05 3427 0.222E-02 0.714E-02 RMM: 6 -0.332887604331E+03 0.12514E-04 -0.25563E-05 2566 0.154E-02 8959 T= 5585. E= 0.67570789E+03 F= 0.62338138E+03 E0= 0.65217673E+03 EK= 0.45481E+02 SP= 0.63E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333313512882E+03 -0.42590E+00 -0.12127E-01 8704 0.215E+01 0.313E-01 RMM: 2 -0.333349281884E+03 -0.35769E-01 -0.12289E-01 5096 0.754E-01 0.193E+00 RMM: 3 -0.333323387539E+03 0.25894E-01 -0.15419E-02 5397 0.283E-01 0.282E-01 RMM: 4 -0.333322815188E+03 0.57235E-03 -0.16858E-03 4837 0.817E-02 0.106E-01 RMM: 5 -0.333322808709E+03 0.64788E-05 -0.21125E-04 3909 0.356E-02 0.105E-01 RMM: 6 -0.333322741730E+03 0.66980E-04 -0.44396E-05 3119 0.198E-02 0.445E-02 RMM: 7 -0.333322740128E+03 0.16015E-05 -0.16620E-05 2513 0.129E-02 8960 T= 5585. E= 0.67570765E+03 F= 0.62294625E+03 E0= 0.65172727E+03 EK= 0.45480E+02 SP= 0.68E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333954182762E+03 -0.63144E+00 -0.12005E-01 8880 0.216E+01 0.391E-01 RMM: 2 -0.333996614319E+03 -0.42432E-01 -0.12705E-01 5227 0.784E-01 0.220E+00 RMM: 3 -0.333963793514E+03 0.32821E-01 -0.18304E-02 5360 0.327E-01 0.401E-01 RMM: 4 -0.333962674206E+03 0.11193E-02 -0.22819E-03 4931 0.973E-02 0.109E-01 RMM: 5 -0.333962727967E+03 -0.53761E-04 -0.32601E-04 3904 0.429E-02 0.152E-01 RMM: 6 -0.333962585779E+03 0.14219E-03 -0.91308E-05 3634 0.276E-02 0.513E-02 RMM: 7 -0.333962574347E+03 0.11432E-04 -0.19414E-05 2546 0.133E-02 8961 T= 5613. E= 0.67570518E+03 F= 0.62230641E+03 E0= 0.65107099E+03 EK= 0.45711E+02 SP= 0.73E+01 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334762196916E+03 -0.79961E+00 -0.12125E-01 8928 0.217E+01 0.270E-01 RMM: 2 -0.334791372322E+03 -0.29175E-01 -0.12161E-01 5259 0.729E-01 0.165E+00 RMM: 3 -0.334771984883E+03 0.19387E-01 -0.12198E-02 5402 0.250E-01 0.261E-01 RMM: 4 -0.334771496415E+03 0.48847E-03 -0.13767E-03 4909 0.726E-02 0.972E-02 RMM: 5 -0.334771463280E+03 0.33135E-04 -0.15793E-04 3870 0.321E-02 0.842E-02 RMM: 6 -0.334771416644E+03 0.46635E-04 -0.32908E-05 2899 0.172E-02 0.411E-02 RMM: 7 -0.334771417751E+03 -0.11072E-05 -0.16381E-05 2509 0.127E-02 8962 T= 5665. E= 0.67570032E+03 F= 0.62149757E+03 E0= 0.65024329E+03 EK= 0.46135E+02 SP= 0.77E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335676738367E+03 -0.90532E+00 -0.12183E-01 8928 0.219E+01 0.200E-01 RMM: 2 -0.335694094742E+03 -0.17356E-01 -0.11924E-01 5267 0.725E-01 0.988E-01 RMM: 3 -0.335686658699E+03 0.74360E-02 -0.10123E-02 5668 0.210E-01 0.191E-01 RMM: 4 -0.335686355148E+03 0.30355E-03 -0.81930E-04 4810 0.592E-02 0.826E-02 RMM: 5 -0.335686340817E+03 0.14331E-04 -0.10972E-04 3751 0.266E-02 8963 T= 5733. E= 0.67569413E+03 F= 0.62058265E+03 E0= 0.64930813E+03 EK= 0.46688E+02 SP= 0.81E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336615027318E+03 -0.92867E+00 -0.12512E-01 8744 0.222E+01 0.132E-01 RMM: 2 -0.336630057070E+03 -0.15030E-01 -0.12505E-01 5511 0.724E-01 0.687E-01 RMM: 3 -0.336625785137E+03 0.42719E-02 -0.90098E-03 5852 0.183E-01 0.127E-01 RMM: 4 -0.336625582895E+03 0.20224E-03 -0.48186E-04 4609 0.464E-02 0.952E-02 RMM: 5 -0.336625528842E+03 0.54054E-04 -0.54250E-05 3197 0.221E-02 0.650E-02 RMM: 6 -0.336625524297E+03 0.45445E-05 -0.24446E-05 2546 0.143E-02 8964 T= 5807. E= 0.67568731E+03 F= 0.61964346E+03 E0= 0.64834570E+03 EK= 0.47286E+02 SP= 0.85E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337492445212E+03 -0.86692E+00 -0.12193E-01 8760 0.225E+01 0.272E-01 RMM: 2 -0.337520980012E+03 -0.28535E-01 -0.11896E-01 5058 0.736E-01 0.163E+00 RMM: 3 -0.337502078635E+03 0.18901E-01 -0.12779E-02 5424 0.255E-01 0.265E-01 RMM: 4 -0.337501553715E+03 0.52492E-03 -0.13969E-03 4766 0.767E-02 0.866E-02 RMM: 5 -0.337501560833E+03 -0.71180E-05 -0.17604E-04 3900 0.330E-02 8965 T= 5875. E= 0.67568136E+03 F= 0.61876743E+03 E0= 0.64744416E+03 EK= 0.47842E+02 SP= 0.88E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338222240158E+03 -0.72069E+00 -0.12019E-01 8648 0.228E+01 0.262E-01 RMM: 2 -0.338249052054E+03 -0.26812E-01 -0.11910E-01 5369 0.724E-01 0.155E+00 RMM: 3 -0.338231851197E+03 0.17201E-01 -0.12227E-02 5416 0.245E-01 0.255E-01 RMM: 4 -0.338231390392E+03 0.46080E-03 -0.12966E-03 4804 0.722E-02 0.109E-01 RMM: 5 -0.338231323486E+03 0.66906E-04 -0.14913E-04 3923 0.295E-02 0.883E-02 RMM: 6 -0.338231286031E+03 0.37455E-04 -0.32456E-05 2810 0.175E-02 0.553E-02 RMM: 7 -0.338231300226E+03 -0.14195E-04 -0.28399E-05 2612 0.149E-02 8966 T= 5928. E= 0.67567649E+03 F= 0.61803769E+03 E0= 0.64668521E+03 EK= 0.48270E+02 SP= 0.92E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338739723916E+03 -0.50844E+00 -0.11877E-01 8384 0.230E+01 0.195E-01 RMM: 2 -0.338757549345E+03 -0.17825E-01 -0.11068E-01 5147 0.704E-01 0.107E+00 RMM: 3 -0.338748886516E+03 0.86628E-02 -0.97697E-03 5618 0.202E-01 0.182E-01 RMM: 4 -0.338748613851E+03 0.27266E-03 -0.77292E-04 4725 0.596E-02 0.934E-02 RMM: 5 -0.338748582904E+03 0.30947E-04 -0.10820E-04 3736 0.269E-02 0.709E-02 RMM: 6 -0.338748552278E+03 0.30626E-04 -0.28099E-05 2820 0.164E-02 0.261E-02 RMM: 7 -0.338748559235E+03 -0.69571E-05 -0.13266E-05 2494 0.118E-02 8967 T= 5956. E= 0.67567247E+03 F= 0.61752043E+03 E0= 0.64613630E+03 EK= 0.48506E+02 SP= 0.95E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339001806210E+03 -0.25325E+00 -0.11365E-01 8520 0.231E+01 0.157E-01 RMM: 2 -0.339015514742E+03 -0.13709E-01 -0.10977E-01 5255 0.701E-01 0.743E-01 RMM: 3 -0.339011158234E+03 0.43565E-02 -0.10277E-02 5989 0.183E-01 0.130E-01 RMM: 4 -0.339010924105E+03 0.23413E-03 -0.52495E-04 4438 0.500E-02 0.105E-01 RMM: 5 -0.339010834644E+03 0.89461E-04 -0.72865E-05 3478 0.239E-02 0.550E-02 RMM: 6 -0.339010823731E+03 0.10913E-04 -0.19890E-05 2531 0.131E-02 8968 T= 5957. E= 0.67567089E+03 F= 0.61725817E+03 E0= 0.64584107E+03 EK= 0.48507E+02 SP= 0.98E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338992338608E+03 0.18496E-01 -0.11641E-01 8112 0.231E+01 0.151E-01 RMM: 2 -0.339006459359E+03 -0.14121E-01 -0.10811E-01 5188 0.703E-01 0.767E-01 RMM: 3 -0.339001690618E+03 0.47687E-02 -0.10591E-02 5726 0.188E-01 0.164E-01 RMM: 4 -0.339001367497E+03 0.32312E-03 -0.59611E-04 4599 0.521E-02 0.696E-02 RMM: 5 -0.339001336792E+03 0.30706E-04 -0.59138E-05 3273 0.207E-02 0.615E-02 RMM: 6 -0.339001324684E+03 0.12108E-04 -0.22407E-05 2529 0.147E-02 8969 T= 5926. E= 0.67567147E+03 F= 0.61726766E+03 E0= 0.64581874E+03 EK= 0.48258E+02 SP= 0.10E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338721288929E+03 0.28005E+00 -0.10880E-01 8048 0.231E+01 0.359E-01 RMM: 2 -0.338756140281E+03 -0.34851E-01 -0.98753E-02 5026 0.752E-01 0.202E+00 RMM: 3 -0.338728390813E+03 0.27749E-01 -0.16270E-02 5366 0.309E-01 0.314E-01 RMM: 4 -0.338727670228E+03 0.72059E-03 -0.18477E-03 4876 0.842E-02 0.866E-02 RMM: 5 -0.338727645408E+03 0.24820E-04 -0.19093E-04 3934 0.325E-02 0.897E-02 RMM: 6 -0.338727595107E+03 0.50301E-04 -0.36534E-05 2981 0.184E-02 0.397E-02 RMM: 7 -0.338727600123E+03 -0.50155E-05 -0.17996E-05 2528 0.132E-02 8970 T= 5866. E= 0.67567340E+03 F= 0.61754139E+03 E0= 0.64606353E+03 EK= 0.47767E+02 SP= 0.10E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338207778351E+03 0.51982E+00 -0.10903E-01 7640 0.230E+01 0.240E-01 RMM: 2 -0.338229358166E+03 -0.21580E-01 -0.99673E-02 5088 0.689E-01 0.136E+00 RMM: 3 -0.338216003981E+03 0.13354E-01 -0.12336E-02 5416 0.244E-01 0.247E-01 RMM: 4 -0.338215567348E+03 0.43663E-03 -0.12028E-03 4907 0.689E-02 0.971E-02 RMM: 5 -0.338215540548E+03 0.26800E-04 -0.15319E-04 3924 0.319E-02 0.874E-02 RMM: 6 -0.338215489438E+03 0.51110E-04 -0.37778E-05 3034 0.185E-02 0.358E-02 RMM: 7 -0.338215491013E+03 -0.15751E-05 -0.14317E-05 2507 0.117E-02 8971 T= 5779. E= 0.67567664E+03 F= 0.61805350E+03 E0= 0.64655230E+03 EK= 0.47065E+02 SP= 0.10E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337499038548E+03 0.71645E+00 -0.10079E-01 7880 0.228E+01 0.177E-01 RMM: 2 -0.337511649714E+03 -0.12611E-01 -0.77746E-02 4897 0.648E-01 0.926E-01 RMM: 3 -0.337505512593E+03 0.61371E-02 -0.88823E-03 5555 0.194E-01 0.146E-01 RMM: 4 -0.337505324335E+03 0.18826E-03 -0.64113E-04 4951 0.506E-02 0.719E-02 RMM: 5 -0.337505288994E+03 0.35342E-04 -0.65756E-05 3358 0.238E-02 0.544E-02 RMM: 6 -0.337505273923E+03 0.15071E-04 -0.22221E-05 2532 0.146E-02 8972 T= 5672. E= 0.67568102E+03 F= 0.61876372E+03 E0= 0.64724608E+03 EK= 0.46192E+02 SP= 0.11E+02 SK= 0.60E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336640932857E+03 0.86436E+00 -0.96636E-02 7392 0.226E+01 0.167E-01 RMM: 2 -0.336651995821E+03 -0.11063E-01 -0.67219E-02 4906 0.616E-01 0.880E-01 RMM: 3 -0.336646553689E+03 0.54421E-02 -0.79523E-03 5546 0.184E-01 0.159E-01 RMM: 4 -0.336646331710E+03 0.22198E-03 -0.56380E-04 4666 0.498E-02 0.647E-02 RMM: 5 -0.336646303888E+03 0.27822E-04 -0.57816E-05 3170 0.218E-02 0.570E-02 RMM: 6 -0.336646291121E+03 0.12767E-04 -0.20950E-05 2512 0.142E-02 8973 T= 5551. E= 0.67568594E+03 F= 0.61962270E+03 E0= 0.64809637E+03 EK= 0.45202E+02 SP= 0.11E+02 SK= 0.39E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335690117556E+03 0.95619E+00 -0.94970E-02 7352 0.224E+01 0.254E-01 RMM: 2 -0.335709629258E+03 -0.19512E-01 -0.61462E-02 4954 0.621E-01 0.148E+00 RMM: 3 -0.335694765229E+03 0.14864E-01 -0.97640E-03 5352 0.237E-01 0.235E-01 RMM: 4 -0.335694358027E+03 0.40720E-03 -0.10210E-03 4694 0.648E-02 0.616E-02 RMM: 5 -0.335694341231E+03 0.16796E-04 -0.10663E-04 3892 0.256E-02 8974 T= 5422. E= 0.67569179E+03 F= 0.62057465E+03 E0= 0.64904778E+03 EK= 0.44154E+02 SP= 0.11E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334706548389E+03 0.98781E+00 -0.90465E-02 7656 0.221E+01 0.153E-01 RMM: 2 -0.334716590395E+03 -0.10042E-01 -0.59249E-02 5004 0.574E-01 0.839E-01 RMM: 3 -0.334711564707E+03 0.50257E-02 -0.68864E-03 5452 0.175E-01 0.174E-01 RMM: 4 -0.334711336103E+03 0.22860E-03 -0.54786E-04 4534 0.495E-02 0.701E-02 RMM: 5 -0.334711312162E+03 0.23941E-04 -0.67531E-05 3393 0.236E-02 0.604E-02 RMM: 6 -0.334711292366E+03 0.19796E-04 -0.21948E-05 2540 0.144E-02 8975 T= 5294. E= 0.67569801E+03 F= 0.62155770E+03 E0= 0.65003732E+03 EK= 0.43112E+02 SP= 0.11E+02 SK= 0.64E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333759404073E+03 0.95191E+00 -0.89706E-02 7496 0.218E+01 0.179E-01 RMM: 2 -0.333769904899E+03 -0.10501E-01 -0.62096E-02 4831 0.610E-01 0.897E-01 RMM: 3 -0.333764531402E+03 0.53735E-02 -0.76894E-03 5496 0.184E-01 0.172E-01 RMM: 4 -0.333764290635E+03 0.24077E-03 -0.61530E-04 4660 0.530E-02 0.685E-02 RMM: 5 -0.333764278033E+03 0.12601E-04 -0.82348E-05 3608 0.234E-02 8976 T= 5175. E= 0.67570454E+03 F= 0.62250471E+03 E0= 0.65099720E+03 EK= 0.42144E+02 SP= 0.11E+02 SK= 0.13E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.332918228696E+03 0.84606E+00 -0.89681E-02 7784 0.215E+01 0.164E-01 RMM: 2 -0.332928564353E+03 -0.10336E-01 -0.58098E-02 5031 0.577E-01 0.889E-01 RMM: 3 -0.332923095250E+03 0.54691E-02 -0.68074E-03 5499 0.171E-01 0.167E-01 RMM: 4 -0.332922883646E+03 0.21160E-03 -0.54311E-04 4577 0.489E-02 0.668E-02 RMM: 5 -0.332922856525E+03 0.27121E-04 -0.67483E-05 3415 0.227E-02 0.550E-02 RMM: 6 -0.332922841931E+03 0.14594E-04 -0.24648E-05 2591 0.155E-02 8977 T= 5074. E= 0.67571028E+03 F= 0.62334615E+03 E0= 0.65185580E+03 EK= 0.41322E+02 SP= 0.11E+02 SK= 0.40E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.332244533852E+03 0.67832E+00 -0.97435E-02 7720 0.212E+01 0.159E-01 RMM: 2 -0.332255052305E+03 -0.10518E-01 -0.69273E-02 4791 0.634E-01 0.817E-01 RMM: 3 -0.332250392482E+03 0.46598E-02 -0.82091E-03 5597 0.184E-01 0.153E-01 RMM: 4 -0.332250187421E+03 0.20506E-03 -0.58079E-04 4695 0.509E-02 0.617E-02 RMM: 5 -0.332250164067E+03 0.23354E-04 -0.72022E-05 3550 0.218E-02 0.545E-02 RMM: 6 -0.332250147660E+03 0.16408E-04 -0.19005E-05 2521 0.134E-02 8978 T= 4999. E= 0.67571473E+03 F= 0.62401884E+03 E0= 0.65254885E+03 EK= 0.40709E+02 SP= 0.11E+02 SK= 0.20E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331794331317E+03 0.45583E+00 -0.91046E-02 7824 0.210E+01 0.238E-01 RMM: 2 -0.331811738259E+03 -0.17407E-01 -0.57848E-02 5095 0.597E-01 0.140E+00 RMM: 3 -0.331798557554E+03 0.13181E-01 -0.78410E-03 5392 0.211E-01 0.226E-01 RMM: 4 -0.331798171486E+03 0.38607E-03 -0.87942E-04 4654 0.616E-02 0.619E-02 RMM: 5 -0.331798167191E+03 0.42949E-05 -0.10703E-04 3850 0.248E-02 8979 T= 4956. E= 0.67571821E+03 F= 0.62447082E+03 E0= 0.65302231E+03 EK= 0.40360E+02 SP= 0.11E+02 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331595806093E+03 0.20237E+00 -0.88287E-02 7888 0.209E+01 0.117E-01 RMM: 2 -0.331602609130E+03 -0.68030E-02 -0.49297E-02 5123 0.522E-01 0.599E-01 RMM: 3 -0.331599968156E+03 0.26410E-02 -0.48541E-03 5589 0.139E-01 0.153E-01 RMM: 4 -0.331599776664E+03 0.19149E-03 -0.34083E-04 4221 0.407E-02 0.510E-02 RMM: 5 -0.331599756495E+03 0.20169E-04 -0.38743E-05 2911 0.175E-02 0.507E-02 RMM: 6 -0.331599747219E+03 0.92758E-05 -0.18343E-05 2500 0.133E-02 8980 T= 4950. E= 0.67571966E+03 F= 0.62466924E+03 E0= 0.65324185E+03 EK= 0.40306E+02 SP= 0.11E+02 SK= 0.96E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331657945215E+03 -0.58189E-01 -0.86334E-02 7744 0.209E+01 0.226E-01 RMM: 2 -0.331671280080E+03 -0.13335E-01 -0.58360E-02 4994 0.593E-01 0.117E+00 RMM: 3 -0.331662268942E+03 0.90111E-02 -0.77443E-03 5388 0.204E-01 0.202E-01 RMM: 4 -0.331661983923E+03 0.28502E-03 -0.76991E-04 4718 0.552E-02 0.662E-02 RMM: 5 -0.331661982816E+03 0.11068E-05 -0.97390E-05 3739 0.250E-02 8981 T= 4980. E= 0.67571890E+03 F= 0.62460701E+03 E0= 0.65319943E+03 EK= 0.40557E+02 SP= 0.10E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331960343444E+03 -0.29836E+00 -0.87311E-02 7928 0.210E+01 0.191E-01 RMM: 2 -0.331972278204E+03 -0.11935E-01 -0.60060E-02 5024 0.603E-01 0.103E+00 RMM: 3 -0.331965218457E+03 0.70597E-02 -0.73546E-03 5474 0.189E-01 0.202E-01 RMM: 4 -0.331964908304E+03 0.31015E-03 -0.67575E-04 4740 0.543E-02 0.704E-02 RMM: 5 -0.331964881023E+03 0.27282E-04 -0.88576E-05 3711 0.246E-02 0.609E-02 RMM: 6 -0.331964858390E+03 0.22633E-04 -0.21668E-05 2580 0.143E-02 0.391E-02 RMM: 7 -0.331964857159E+03 0.12313E-05 -0.12578E-05 2491 0.109E-02 8982 T= 5046. E= 0.67571652E+03 F= 0.62430413E+03 E0= 0.65291352E+03 EK= 0.41094E+02 SP= 0.10E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332461625652E+03 -0.49677E+00 -0.94651E-02 7864 0.212E+01 0.175E-01 RMM: 2 -0.332471857992E+03 -0.10232E-01 -0.70186E-02 4802 0.646E-01 0.814E-01 RMM: 3 -0.332467344994E+03 0.45130E-02 -0.83003E-03 5692 0.181E-01 0.127E-01 RMM: 4 -0.332467196228E+03 0.14877E-03 -0.54579E-04 4711 0.503E-02 0.943E-02 RMM: 5 -0.332467156219E+03 0.40009E-04 -0.79924E-05 3557 0.237E-02 0.662E-02 RMM: 6 -0.332467128885E+03 0.27333E-04 -0.24112E-05 2583 0.153E-02 0.190E-02 RMM: 7 -0.332467129865E+03 -0.97942E-06 -0.82736E-06 2473 0.920E-03 8983 T= 5142. E= 0.67571227E+03 F= 0.62380186E+03 E0= 0.65242626E+03 EK= 0.41875E+02 SP= 0.97E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333105010491E+03 -0.63788E+00 -0.91973E-02 7944 0.215E+01 0.151E-01 RMM: 2 -0.333113149771E+03 -0.81393E-02 -0.62857E-02 4981 0.617E-01 0.656E-01 RMM: 3 -0.333110284466E+03 0.28653E-02 -0.73135E-03 5773 0.164E-01 0.128E-01 RMM: 4 -0.333110111780E+03 0.17269E-03 -0.41174E-04 4441 0.462E-02 0.937E-02 RMM: 5 -0.333110046950E+03 0.64830E-04 -0.66679E-05 3432 0.238E-02 0.518E-02 RMM: 6 -0.333110032273E+03 0.14677E-04 -0.20658E-05 2534 0.136E-02 8984 T= 5261. E= 0.67570746E+03 F= 0.62315896E+03 E0= 0.65179515E+03 EK= 0.42845E+02 SP= 0.93E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333821125108E+03 -0.71108E+00 -0.91798E-02 7496 0.218E+01 0.145E-01 RMM: 2 -0.333830770489E+03 -0.96454E-02 -0.68967E-02 4840 0.636E-01 0.746E-01 RMM: 3 -0.333827045781E+03 0.37247E-02 -0.82191E-03 5741 0.175E-01 0.134E-01 RMM: 4 -0.333826847458E+03 0.19832E-03 -0.44499E-04 4767 0.452E-02 0.631E-02 RMM: 5 -0.333826814429E+03 0.33029E-04 -0.51115E-05 2975 0.215E-02 0.506E-02 RMM: 6 -0.333826805500E+03 0.89291E-05 -0.21717E-05 2519 0.140E-02 8985 T= 5395. E= 0.67570286E+03 F= 0.62244218E+03 E0= 0.65108844E+03 EK= 0.43935E+02 SP= 0.89E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334550061720E+03 -0.72325E+00 -0.93574E-02 7624 0.221E+01 0.290E-01 RMM: 2 -0.334573924424E+03 -0.23863E-01 -0.64563E-02 5016 0.650E-01 0.165E+00 RMM: 3 -0.334554746966E+03 0.19177E-01 -0.10507E-02 5359 0.251E-01 0.277E-01 RMM: 4 -0.334554205431E+03 0.54153E-03 -0.12866E-03 4688 0.761E-02 0.866E-02 RMM: 5 -0.334554190931E+03 0.14500E-04 -0.16160E-04 3884 0.300E-02 8986 T= 5536. E= 0.67569991E+03 F= 0.62171480E+03 E0= 0.65036886E+03 EK= 0.45083E+02 SP= 0.84E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335235693821E+03 -0.68149E+00 -0.97211E-02 7504 0.224E+01 0.209E-01 RMM: 2 -0.335252309697E+03 -0.16616E-01 -0.61652E-02 5139 0.594E-01 0.129E+00 RMM: 3 -0.335240656373E+03 0.11653E-01 -0.76951E-03 5376 0.202E-01 0.213E-01 RMM: 4 -0.335240337594E+03 0.31878E-03 -0.82182E-04 4647 0.596E-02 0.818E-02 RMM: 5 -0.335240294682E+03 0.42912E-04 -0.98175E-05 3814 0.256E-02 0.686E-02 RMM: 6 -0.335240266831E+03 0.27851E-04 -0.21551E-05 2544 0.141E-02 0.400E-02 RMM: 7 -0.335240265758E+03 0.10724E-05 -0.22000E-05 2550 0.138E-02 8987 T= 5677. E= 0.67569843E+03 F= 0.62102872E+03 E0= 0.64969043E+03 EK= 0.46234E+02 SP= 0.78E+01 SK= 0.62E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335848969040E+03 -0.60870E+00 -0.10154E-01 7304 0.227E+01 0.231E-01 RMM: 2 -0.335862107340E+03 -0.13138E-01 -0.62995E-02 4937 0.633E-01 0.112E+00 RMM: 3 -0.335853750258E+03 0.83571E-02 -0.80819E-03 5438 0.202E-01 0.200E-01 RMM: 4 -0.335853540451E+03 0.20981E-03 -0.83534E-04 4618 0.623E-02 0.119E-01 RMM: 5 -0.335853479432E+03 0.61019E-04 -0.13015E-04 3833 0.289E-02 0.847E-02 RMM: 6 -0.335853433184E+03 0.46249E-04 -0.34386E-05 2975 0.184E-02 0.214E-02 RMM: 7 -0.335853435794E+03 -0.26106E-05 -0.11463E-05 2478 0.105E-02 8988 T= 5815. E= 0.67569733E+03 F= 0.62041555E+03 E0= 0.64908343E+03 EK= 0.47351E+02 SP= 0.72E+01 SK= 0.69E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336378236034E+03 -0.52480E+00 -0.10424E-01 7528 0.230E+01 0.156E-01 RMM: 2 -0.336387376347E+03 -0.91403E-02 -0.70875E-02 4969 0.650E-01 0.687E-01 RMM: 3 -0.336384284468E+03 0.30919E-02 -0.81307E-03 5802 0.172E-01 0.121E-01 RMM: 4 -0.336384121946E+03 0.16252E-03 -0.44989E-04 4474 0.505E-02 0.108E-01 RMM: 5 -0.336384033336E+03 0.88610E-04 -0.79141E-05 3523 0.256E-02 0.553E-02 RMM: 6 -0.336384017255E+03 0.16081E-04 -0.20501E-05 2525 0.133E-02 8989 T= 5946. E= 0.67569814E+03 F= 0.61988497E+03 E0= 0.64855657E+03 EK= 0.48424E+02 SP= 0.66E+01 SK= 0.74E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336836175511E+03 -0.45214E+00 -0.10969E-01 7496 0.232E+01 0.200E-01 RMM: 2 -0.336852055991E+03 -0.15880E-01 -0.92338E-02 4757 0.758E-01 0.109E+00 RMM: 3 -0.336844050744E+03 0.80052E-02 -0.11428E-02 5543 0.223E-01 0.184E-01 RMM: 4 -0.336843754766E+03 0.29598E-03 -0.81000E-04 4881 0.591E-02 0.719E-02 RMM: 5 -0.336843723313E+03 0.31453E-04 -0.10381E-04 3817 0.278E-02 0.652E-02 RMM: 6 -0.336843698726E+03 0.24587E-04 -0.26401E-05 2573 0.152E-02 0.437E-02 RMM: 7 -0.336843713132E+03 -0.14406E-04 -0.34565E-05 2797 0.176E-02 8990 T= 6073. E= 0.67569973E+03 F= 0.61942528E+03 E0= 0.64809905E+03 EK= 0.49457E+02 SP= 0.60E+01 SK= 0.79E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337254027095E+03 -0.41033E+00 -0.10196E-01 7504 0.234E+01 0.224E-01 RMM: 2 -0.337265492551E+03 -0.11465E-01 -0.73793E-02 4821 0.698E-01 0.929E-01 RMM: 3 -0.337259846599E+03 0.56460E-02 -0.94176E-03 5490 0.212E-01 0.214E-01 RMM: 4 -0.337259587714E+03 0.25889E-03 -0.92389E-04 4639 0.695E-02 0.135E-01 RMM: 5 -0.337259509088E+03 0.78626E-04 -0.15897E-04 3868 0.334E-02 0.936E-02 RMM: 6 -0.337259452348E+03 0.56741E-04 -0.37015E-05 2972 0.191E-02 0.276E-02 RMM: 7 -0.337259452339E+03 0.89476E-08 -0.15047E-05 2487 0.123E-02 8991 T= 6198. E= 0.67570170E+03 F= 0.61900954E+03 E0= 0.64768195E+03 EK= 0.50475E+02 SP= 0.54E+01 SK= 0.83E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337655002054E+03 -0.39555E+00 -0.10602E-01 7424 0.235E+01 0.167E-01 RMM: 2 -0.337666769788E+03 -0.11768E-01 -0.86296E-02 4927 0.717E-01 0.802E-01 RMM: 3 -0.337662469220E+03 0.43006E-02 -0.10031E-02 5782 0.189E-01 0.133E-01 RMM: 4 -0.337662259065E+03 0.21015E-03 -0.52607E-04 4619 0.531E-02 0.943E-02 RMM: 5 -0.337662193720E+03 0.65346E-04 -0.79292E-05 3586 0.256E-02 0.564E-02 RMM: 6 -0.337662178211E+03 0.15509E-04 -0.23992E-05 2541 0.146E-02 8992 T= 6324. E= 0.67570366E+03 F= 0.61860681E+03 E0= 0.64727336E+03 EK= 0.51503E+02 SP= 0.47E+01 SK= 0.85E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338067724779E+03 -0.40553E+00 -0.10607E-01 7672 0.237E+01 0.196E-01 RMM: 2 -0.338081074414E+03 -0.13350E-01 -0.67696E-02 4900 0.658E-01 0.108E+00 RMM: 3 -0.338073257228E+03 0.78172E-02 -0.84564E-03 5426 0.206E-01 0.167E-01 RMM: 4 -0.338073065164E+03 0.19206E-03 -0.66314E-04 4764 0.536E-02 0.675E-02 RMM: 5 -0.338073039533E+03 0.25631E-04 -0.79610E-05 3671 0.256E-02 0.635E-02 RMM: 6 -0.338073020008E+03 0.19525E-04 -0.21857E-05 2543 0.140E-02 8993 T= 6454. E= 0.67570404E+03 F= 0.61819597E+03 E0= 0.64685089E+03 EK= 0.52556E+02 SP= 0.41E+01 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338483588740E+03 -0.41055E+00 -0.11187E-01 7576 0.240E+01 0.278E-01 RMM: 2 -0.338509157689E+03 -0.25569E-01 -0.91337E-02 4878 0.766E-01 0.165E+00 RMM: 3 -0.338490796093E+03 0.18362E-01 -0.13206E-02 5394 0.270E-01 0.224E-01 RMM: 4 -0.338490435687E+03 0.36041E-03 -0.12703E-03 4768 0.709E-02 0.865E-02 RMM: 5 -0.338490399992E+03 0.35696E-04 -0.14075E-04 3935 0.309E-02 0.783E-02 RMM: 6 -0.338490361885E+03 0.38107E-04 -0.27846E-05 2586 0.158E-02 0.424E-02 RMM: 7 -0.338490363583E+03 -0.16989E-05 -0.21300E-05 2513 0.148E-02 8994 T= 6586. E= 0.67570254E+03 F= 0.61777863E+03 E0= 0.64641562E+03 EK= 0.53630E+02 SP= 0.34E+01 SK= 0.86E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338880157472E+03 -0.38980E+00 -0.10996E-01 7480 0.242E+01 0.225E-01 RMM: 2 -0.338895261577E+03 -0.15104E-01 -0.77389E-02 4856 0.694E-01 0.114E+00 RMM: 3 -0.338886451410E+03 0.88102E-02 -0.98329E-03 5388 0.228E-01 0.251E-01 RMM: 4 -0.338886034340E+03 0.41707E-03 -0.10105E-03 4652 0.692E-02 0.789E-02 RMM: 5 -0.338886050081E+03 -0.15741E-04 -0.15008E-04 3873 0.325E-02 8995 T= 6716. E= 0.67569988E+03 F= 0.61738294E+03 E0= 0.64599514E+03 EK= 0.54690E+02 SP= 0.28E+01 SK= 0.84E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339199811382E+03 -0.31378E+00 -0.11172E-01 7656 0.245E+01 0.151E-01 RMM: 2 -0.339211678820E+03 -0.11867E-01 -0.84421E-02 4902 0.697E-01 0.806E-01 RMM: 3 -0.339207225692E+03 0.44531E-02 -0.97100E-03 5689 0.194E-01 0.146E-01 RMM: 4 -0.339207020528E+03 0.20516E-03 -0.52178E-04 4654 0.511E-02 0.821E-02 RMM: 5 -0.339206966604E+03 0.53924E-04 -0.77606E-05 3607 0.252E-02 0.596E-02 RMM: 6 -0.339206954268E+03 0.12336E-04 -0.24957E-05 2538 0.149E-02 8996 T= 6837. E= 0.67569667E+03 F= 0.61706204E+03 E0= 0.64564135E+03 EK= 0.55679E+02 SP= 0.21E+01 SK= 0.82E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339378287418E+03 -0.17132E+00 -0.11827E-01 7552 0.247E+01 0.217E-01 RMM: 2 -0.339396667678E+03 -0.18380E-01 -0.99293E-02 4725 0.772E-01 0.121E+00 RMM: 3 -0.339386637256E+03 0.10030E-01 -0.12483E-02 5497 0.239E-01 0.190E-01 RMM: 4 -0.339386346155E+03 0.29110E-03 -0.96870E-04 4827 0.638E-02 0.748E-02 RMM: 5 -0.339386311042E+03 0.35113E-04 -0.11525E-04 3939 0.281E-02 0.598E-02 RMM: 6 -0.339386293071E+03 0.17971E-04 -0.23990E-05 2550 0.144E-02 8997 T= 6941. E= 0.67569312E+03 F= 0.61688270E+03 E0= 0.64542350E+03 EK= 0.56523E+02 SP= 0.15E+01 SK= 0.78E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339350721974E+03 0.35589E-01 -0.11906E-01 7344 0.249E+01 0.276E-01 RMM: 2 -0.339376571866E+03 -0.25850E-01 -0.97361E-02 4860 0.772E-01 0.162E+00 RMM: 3 -0.339358398684E+03 0.18173E-01 -0.13471E-02 5396 0.270E-01 0.242E-01 RMM: 4 -0.339357984826E+03 0.41386E-03 -0.13429E-03 4761 0.758E-02 0.862E-02 RMM: 5 -0.339357949554E+03 0.35272E-04 -0.15745E-04 3943 0.316E-02 0.864E-02 RMM: 6 -0.339357902642E+03 0.46911E-04 -0.31018E-05 2657 0.168E-02 0.402E-02 RMM: 7 -0.339357899972E+03 0.26702E-05 -0.20019E-05 2513 0.142E-02 8998 T= 7018. E= 0.67569079E+03 F= 0.61691109E+03 E0= 0.64540816E+03 EK= 0.57152E+02 SP= 0.89E+00 SK= 0.73E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339064274085E+03 0.29363E+00 -0.11892E-01 7592 0.250E+01 0.206E-01 RMM: 2 -0.339080534358E+03 -0.16260E-01 -0.95430E-02 4783 0.753E-01 0.109E+00 RMM: 3 -0.339072421141E+03 0.81132E-02 -0.11681E-02 5539 0.228E-01 0.205E-01 RMM: 4 -0.339072091324E+03 0.32982E-03 -0.90972E-04 4693 0.655E-02 0.776E-02 RMM: 5 -0.339072071195E+03 0.20129E-04 -0.12115E-04 3967 0.279E-02 0.753E-02 RMM: 6 -0.339072034412E+03 0.36783E-04 -0.25164E-05 2572 0.149E-02 0.330E-02 RMM: 7 -0.339072034516E+03 -0.10319E-06 -0.20130E-05 2502 0.146E-02 8999 T= 7062. E= 0.67569010E+03 F= 0.61719695E+03 E0= 0.64564677E+03 EK= 0.57509E+02 SP= 0.30E+00 SK= 0.68E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338496863290E+03 0.57517E+00 -0.12250E-01 7552 0.250E+01 0.180E-01 RMM: 2 -0.338510894403E+03 -0.14031E-01 -0.10870E-01 4811 0.792E-01 0.817E-01 RMM: 3 -0.338506288717E+03 0.46057E-02 -0.13015E-02 5880 0.215E-01 0.157E-01 RMM: 4 -0.338505992409E+03 0.29631E-03 -0.68248E-04 4746 0.602E-02 0.101E-01 RMM: 5 -0.338505928798E+03 0.63610E-04 -0.10161E-04 3673 0.267E-02 0.685E-02 RMM: 6 -0.338505901256E+03 0.27542E-04 -0.25694E-05 2568 0.154E-02 0.336E-02 RMM: 7 -0.338505899983E+03 0.12727E-05 -0.15328E-05 2487 0.124E-02 9000 T= 7069. E= 0.67569165E+03 F= 0.61776309E+03 E0= 0.64616292E+03 EK= 0.57567E+02 SP= -.27E+00 SK= 0.63E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337658292434E+03 0.84761E+00 -0.12751E-01 7664 0.250E+01 0.162E-01 RMM: 2 -0.337672692243E+03 -0.14400E-01 -0.12573E-01 4757 0.849E-01 0.682E-01 RMM: 3 -0.337669409218E+03 0.32830E-02 -0.14892E-02 6118 0.218E-01 0.137E-01 RMM: 4 -0.337669057984E+03 0.35123E-03 -0.61656E-04 4889 0.593E-02 0.938E-02 RMM: 5 -0.337668995291E+03 0.62692E-04 -0.85112E-05 3659 0.269E-02 0.516E-02 RMM: 6 -0.337668983884E+03 0.11408E-04 -0.20890E-05 2523 0.133E-02 9001 T= 7040. E= 0.67569615E+03 F= 0.61860001E+03 E0= 0.64694793E+03 EK= 0.57333E+02 SP= -.82E+00 SK= 0.59E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336592168212E+03 0.10768E+01 -0.12797E-01 7424 0.248E+01 0.169E-01 RMM: 2 -0.336611258893E+03 -0.19091E-01 -0.15124E-01 4747 0.920E-01 0.871E-01 RMM: 3 -0.336605725674E+03 0.55332E-02 -0.17935E-02 6003 0.238E-01 0.155E-01 RMM: 4 -0.336605260637E+03 0.46504E-03 -0.72252E-04 5033 0.618E-02 0.747E-02 RMM: 5 -0.336605217904E+03 0.42733E-04 -0.92814E-05 3769 0.275E-02 0.571E-02 RMM: 6 -0.336605207609E+03 0.10295E-04 -0.22083E-05 2531 0.138E-02 9002 T= 6981. E= 0.67570254E+03 F= 0.61966378E+03 E0= 0.64795833E+03 EK= 0.56848E+02 SP= -.14E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335375033377E+03 0.12302E+01 -0.11884E-01 7440 0.246E+01 0.256E-01 RMM: 2 -0.335399607498E+03 -0.24574E-01 -0.11196E-01 4855 0.799E-01 0.147E+00 RMM: 3 -0.335384254430E+03 0.15353E-01 -0.14330E-02 5441 0.263E-01 0.199E-01 RMM: 4 -0.335383961700E+03 0.29273E-03 -0.12729E-03 4881 0.711E-02 0.860E-02 RMM: 5 -0.335383931321E+03 0.30379E-04 -0.14783E-04 4090 0.296E-02 0.774E-02 RMM: 6 -0.335383894326E+03 0.36996E-04 -0.27037E-05 2627 0.154E-02 0.375E-02 RMM: 7 -0.335383896592E+03 -0.22667E-05 -0.15177E-05 2498 0.125E-02 9003 T= 6899. E= 0.67570969E+03 F= 0.62088509E+03 E0= 0.64912485E+03 EK= 0.56180E+02 SP= -.19E+01 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334079091684E+03 0.13048E+01 -0.12026E-01 7648 0.243E+01 0.281E-01 RMM: 2 -0.334100175649E+03 -0.21084E-01 -0.11302E-01 4912 0.817E-01 0.132E+00 RMM: 3 -0.334088055987E+03 0.12120E-01 -0.14176E-02 5431 0.268E-01 0.269E-01 RMM: 4 -0.334087568210E+03 0.48778E-03 -0.14105E-03 4844 0.781E-02 0.977E-02 RMM: 5 -0.334087567631E+03 0.57843E-06 -0.19231E-04 3908 0.341E-02 9004 T= 6805. E= 0.67571857E+03 F= 0.62218142E+03 E0= 0.65036568E+03 EK= 0.55416E+02 SP= -.24E+01 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332792765735E+03 0.12948E+01 -0.11818E-01 7512 0.240E+01 0.150E-01 RMM: 2 -0.332807911361E+03 -0.15146E-01 -0.11226E-01 5012 0.777E-01 0.846E-01 RMM: 3 -0.332802649774E+03 0.52616E-02 -0.12149E-02 5806 0.204E-01 0.138E-01 RMM: 4 -0.332802376026E+03 0.27375E-03 -0.55359E-04 4832 0.515E-02 0.802E-02 RMM: 5 -0.332802322296E+03 0.53730E-04 -0.70836E-05 3400 0.243E-02 0.635E-02 RMM: 6 -0.332802315094E+03 0.72019E-05 -0.30445E-05 2615 0.163E-02 9005 T= 6710. E= 0.67572707E+03 F= 0.62346667E+03 E0= 0.65159725E+03 EK= 0.54644E+02 SP= -.28E+01 SK= 0.47E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331601795051E+03 0.12005E+01 -0.11014E-01 7384 0.237E+01 0.236E-01 RMM: 2 -0.331620198100E+03 -0.18403E-01 -0.89468E-02 4875 0.719E-01 0.126E+00 RMM: 3 -0.331608990849E+03 0.11207E-01 -0.11536E-02 5419 0.241E-01 0.192E-01 RMM: 4 -0.331608751387E+03 0.23946E-03 -0.10717E-03 4794 0.656E-02 0.844E-02 RMM: 5 -0.331608721867E+03 0.29520E-04 -0.12508E-04 4019 0.273E-02 0.703E-02 RMM: 6 -0.331608691436E+03 0.30431E-04 -0.25104E-05 2619 0.151E-02 0.305E-02 RMM: 7 -0.331608695322E+03 -0.38857E-05 -0.12910E-05 2491 0.120E-02 9006 T= 6624. E= 0.67573271E+03 F= 0.62466029E+03 E0= 0.65273949E+03 EK= 0.53945E+02 SP= -.33E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330562491288E+03 0.10462E+01 -0.10713E-01 7536 0.234E+01 0.304E-01 RMM: 2 -0.330586815199E+03 -0.24324E-01 -0.10223E-01 4990 0.797E-01 0.155E+00 RMM: 3 -0.330570306903E+03 0.16508E-01 -0.14364E-02 5415 0.277E-01 0.263E-01 RMM: 4 -0.330569832381E+03 0.47452E-03 -0.14972E-03 4785 0.807E-02 0.110E-01 RMM: 5 -0.330569817793E+03 0.14589E-04 -0.19573E-04 3894 0.349E-02 9007 T= 6556. E= 0.67573757E+03 F= 0.62569917E+03 E0= 0.65373358E+03 EK= 0.53390E+02 SP= -.38E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329715389966E+03 0.85444E+00 -0.10520E-01 7416 0.232E+01 0.155E-01 RMM: 2 -0.329727815867E+03 -0.12426E-01 -0.95145E-02 4999 0.726E-01 0.756E-01 RMM: 3 -0.329723662858E+03 0.41530E-02 -0.10693E-02 5732 0.200E-01 0.134E-01 RMM: 4 -0.329723451275E+03 0.21158E-03 -0.60494E-04 5310 0.482E-02 0.789E-02 RMM: 5 -0.329723400329E+03 0.50946E-04 -0.61033E-05 3077 0.239E-02 0.653E-02 RMM: 6 -0.329723386992E+03 0.13337E-04 -0.33214E-05 2815 0.172E-02 9008 T= 6511. E= 0.67574107E+03 F= 0.62654560E+03 E0= 0.65454400E+03 EK= 0.53019E+02 SP= -.43E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329075590481E+03 0.64781E+00 -0.10581E-01 7400 0.230E+01 0.299E-01 RMM: 2 -0.329102077400E+03 -0.26487E-01 -0.11142E-01 4732 0.824E-01 0.158E+00 RMM: 3 -0.329084398801E+03 0.17679E-01 -0.15536E-02 5381 0.288E-01 0.256E-01 RMM: 4 -0.329083961569E+03 0.43723E-03 -0.16110E-03 4963 0.778E-02 0.904E-02 RMM: 5 -0.329083977762E+03 -0.16193E-04 -0.19792E-04 3935 0.343E-02 9009 T= 6490. E= 0.67574233E+03 F= 0.62718501E+03 E0= 0.65515878E+03 EK= 0.52851E+02 SP= -.47E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328633317049E+03 0.45064E+00 -0.10277E-01 7488 0.230E+01 0.232E-01 RMM: 2 -0.328654505283E+03 -0.21188E-01 -0.11082E-01 4889 0.793E-01 0.129E+00 RMM: 3 -0.328642791005E+03 0.11714E-01 -0.13811E-02 5489 0.251E-01 0.222E-01 RMM: 4 -0.328642420549E+03 0.37046E-03 -0.11856E-03 4845 0.703E-02 0.982E-02 RMM: 5 -0.328642362653E+03 0.57897E-04 -0.15376E-04 3948 0.314E-02 0.745E-02 RMM: 6 -0.328642329175E+03 0.33478E-04 -0.32544E-05 2793 0.167E-02 0.471E-02 RMM: 7 -0.328642330540E+03 -0.13650E-05 -0.25823E-05 2548 0.155E-02 9010 T= 6493. E= 0.67574205E+03 F= 0.62762666E+03 E0= 0.65558931E+03 EK= 0.52878E+02 SP= -.52E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328360876814E+03 0.28145E+00 -0.10461E-01 7760 0.230E+01 0.179E-01 RMM: 2 -0.328374554525E+03 -0.13678E-01 -0.96545E-02 4724 0.746E-01 0.872E-01 RMM: 3 -0.328369204758E+03 0.53498E-02 -0.11724E-02 5724 0.216E-01 0.146E-01 RMM: 4 -0.328368979773E+03 0.22498E-03 -0.69014E-04 4920 0.562E-02 0.807E-02 RMM: 5 -0.328368949512E+03 0.30261E-04 -0.94747E-05 3681 0.270E-02 0.621E-02 RMM: 6 -0.328368926525E+03 0.22987E-04 -0.25095E-05 2578 0.153E-02 0.241E-02 RMM: 7 -0.328368930596E+03 -0.40718E-05 -0.12899E-05 2481 0.118E-02 9011 T= 6517. E= 0.67574013E+03 F= 0.62790006E+03 E0= 0.65586555E+03 EK= 0.53074E+02 SP= -.57E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328213117533E+03 0.15581E+00 -0.10140E-01 7928 0.231E+01 0.180E-01 RMM: 2 -0.328226309137E+03 -0.13192E-01 -0.96969E-02 4859 0.755E-01 0.844E-01 RMM: 3 -0.328221582430E+03 0.47267E-02 -0.11779E-02 5870 0.207E-01 0.161E-01 RMM: 4 -0.328221290699E+03 0.29173E-03 -0.66330E-04 4678 0.594E-02 0.995E-02 RMM: 5 -0.328221220802E+03 0.69897E-04 -0.10623E-04 3720 0.281E-02 0.577E-02 RMM: 6 -0.328221203695E+03 0.17107E-04 -0.25593E-05 2563 0.150E-02 9012 T= 6557. E= 0.67573770E+03 F= 0.62804779E+03 E0= 0.65602906E+03 EK= 0.53396E+02 SP= -.61E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328141480963E+03 0.79740E-01 -0.10558E-01 7696 0.232E+01 0.147E-01 RMM: 2 -0.328155305738E+03 -0.13825E-01 -0.10822E-01 4871 0.764E-01 0.747E-01 RMM: 3 -0.328151132096E+03 0.41736E-02 -0.12326E-02 5886 0.203E-01 0.130E-01 RMM: 4 -0.328150864560E+03 0.26754E-03 -0.58447E-04 4623 0.549E-02 0.805E-02 RMM: 5 -0.328150823512E+03 0.41048E-04 -0.80814E-05 3598 0.255E-02 0.563E-02 RMM: 6 -0.328150814087E+03 0.94255E-05 -0.24552E-05 2548 0.149E-02 9013 T= 6606. E= 0.67573499E+03 F= 0.62811818E+03 E0= 0.65612698E+03 EK= 0.53796E+02 SP= -.66E+01 SK= 0.44E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328103836489E+03 0.46987E-01 -0.10333E-01 7568 0.235E+01 0.328E-01 RMM: 2 -0.328134816826E+03 -0.30980E-01 -0.10431E-01 4939 0.793E-01 0.182E+00 RMM: 3 -0.328111903223E+03 0.22914E-01 -0.15364E-02 5380 0.294E-01 0.320E-01 RMM: 4 -0.328111151950E+03 0.75127E-03 -0.17740E-03 4903 0.880E-02 0.893E-02 RMM: 5 -0.328111158555E+03 -0.66051E-05 -0.22812E-04 3903 0.347E-02 0.105E-01 RMM: 6 -0.328111083738E+03 0.74817E-04 -0.46377E-05 3113 0.206E-02 0.411E-02 RMM: 7 -0.328111081951E+03 0.17868E-05 -0.17807E-05 2512 0.128E-02 9014 T= 6659. E= 0.67573315E+03 F= 0.62815791E+03 E0= 0.65620310E+03 EK= 0.54227E+02 SP= -.71E+01 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328061332710E+03 0.49751E-01 -0.10137E-01 7608 0.237E+01 0.261E-01 RMM: 2 -0.328081887129E+03 -0.20554E-01 -0.88698E-02 4988 0.720E-01 0.139E+00 RMM: 3 -0.328068619225E+03 0.13268E-01 -0.12158E-02 5397 0.253E-01 0.270E-01 RMM: 4 -0.328068150065E+03 0.46916E-03 -0.13137E-03 4720 0.758E-02 0.100E-01 RMM: 5 -0.328068132290E+03 0.17774E-04 -0.18260E-04 3886 0.339E-02 9015 T= 6712. E= 0.67573347E+03 F= 0.62820086E+03 E0= 0.65628733E+03 EK= 0.54655E+02 SP= -.75E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327996489615E+03 0.71660E-01 -0.10949E-01 7648 0.239E+01 0.200E-01 RMM: 2 -0.328014532972E+03 -0.18043E-01 -0.10439E-01 5000 0.763E-01 0.114E+00 RMM: 3 -0.328005496803E+03 0.90362E-02 -0.12051E-02 5618 0.221E-01 0.188E-01 RMM: 4 -0.328005159859E+03 0.33694E-03 -0.80291E-04 4878 0.591E-02 0.824E-02 RMM: 5 -0.328005114358E+03 0.45501E-04 -0.11040E-04 3908 0.276E-02 0.721E-02 RMM: 6 -0.328005092024E+03 0.22334E-04 -0.35184E-05 2793 0.176E-02 0.597E-02 RMM: 7 -0.328005113451E+03 -0.21426E-04 -0.95132E-05 3884 0.221E-02 0.100E-01 RMM: 8 -0.328005045577E+03 0.67874E-04 -0.52431E-05 3243 0.199E-02 0.259E-02 RMM: 9 -0.328005046831E+03 -0.12538E-05 -0.16866E-05 2485 0.121E-02 9016 T= 6761. E= 0.67573468E+03 F= 0.62826394E+03 E0= 0.65639649E+03 EK= 0.55058E+02 SP= -.80E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327915344731E+03 0.89701E-01 -0.11323E-01 7560 0.241E+01 0.234E-01 RMM: 2 -0.327928897545E+03 -0.13553E-01 -0.10559E-01 4932 0.779E-01 0.857E-01 RMM: 3 -0.327923880760E+03 0.50168E-02 -0.12413E-02 5770 0.215E-01 0.174E-01 RMM: 4 -0.327923776469E+03 0.10429E-03 -0.97977E-04 4685 0.727E-02 0.209E-01 RMM: 5 -0.327923509346E+03 0.26712E-03 -0.21757E-04 3881 0.393E-02 0.784E-02 RMM: 6 -0.327923468510E+03 0.40836E-04 -0.44663E-05 3139 0.202E-02 0.263E-02 RMM: 7 -0.327923473536E+03 -0.50268E-05 -0.17461E-05 2506 0.129E-02 9017 T= 6808. E= 0.67573614E+03 F= 0.62834552E+03 E0= 0.65652445E+03 EK= 0.55437E+02 SP= -.84E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327832572762E+03 0.90896E-01 -0.11974E-01 7624 0.243E+01 0.172E-01 RMM: 2 -0.327846151481E+03 -0.13579E-01 -0.10677E-01 4971 0.779E-01 0.783E-01 RMM: 3 -0.327841896293E+03 0.42552E-02 -0.12397E-02 5985 0.206E-01 0.153E-01 RMM: 4 -0.327841553241E+03 0.34305E-03 -0.58407E-04 4775 0.551E-02 0.814E-02 RMM: 5 -0.327841508933E+03 0.44308E-04 -0.84911E-05 3670 0.258E-02 0.616E-02 RMM: 6 -0.327841493217E+03 0.15716E-04 -0.22696E-05 2541 0.141E-02 9018 T= 6853. E= 0.67573829E+03 F= 0.62842750E+03 E0= 0.65665275E+03 EK= 0.55806E+02 SP= -.89E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327775364854E+03 0.66144E-01 -0.12359E-01 7336 0.245E+01 0.249E-01 RMM: 2 -0.327797306476E+03 -0.21942E-01 -0.11151E-01 5016 0.784E-01 0.134E+00 RMM: 3 -0.327784683845E+03 0.12623E-01 -0.13594E-02 5472 0.248E-01 0.232E-01 RMM: 4 -0.327784242476E+03 0.44137E-03 -0.11213E-03 4891 0.663E-02 0.863E-02 RMM: 5 -0.327784197806E+03 0.44669E-04 -0.12924E-04 3922 0.301E-02 0.727E-02 RMM: 6 -0.327784170638E+03 0.27168E-04 -0.30650E-05 2771 0.163E-02 0.547E-02 RMM: 7 -0.327784191122E+03 -0.20484E-04 -0.51668E-05 3234 0.200E-02 0.887E-02 RMM: 8 -0.327784137455E+03 0.53667E-04 -0.75280E-05 3847 0.201E-02 0.361E-02 RMM: 9 -0.327784130902E+03 0.65533E-05 -0.14663E-05 2496 0.112E-02 9019 T= 6900. E= 0.67574014E+03 F= 0.62848486E+03 E0= 0.65675733E+03 EK= 0.56188E+02 SP= -.93E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327764467256E+03 0.19670E-01 -0.11845E-01 7408 0.247E+01 0.277E-01 RMM: 2 -0.327784816383E+03 -0.20349E-01 -0.10700E-01 4955 0.797E-01 0.132E+00 RMM: 3 -0.327772860122E+03 0.11956E-01 -0.13363E-02 5462 0.255E-01 0.250E-01 RMM: 4 -0.327772511076E+03 0.34905E-03 -0.14111E-03 4814 0.830E-02 0.157E-01 RMM: 5 -0.327772450368E+03 0.60708E-04 -0.23453E-04 3881 0.381E-02 0.138E-01 RMM: 6 -0.327772321318E+03 0.12905E-03 -0.72616E-05 3481 0.251E-02 0.306E-02 RMM: 7 -0.327772326180E+03 -0.48624E-05 -0.22171E-05 2546 0.138E-02 9020 T= 6951. E= 0.67574135E+03 F= 0.62849666E+03 E0= 0.65681714E+03 EK= 0.56602E+02 SP= -.97E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327808154983E+03 -0.35834E-01 -0.11687E-01 7536 0.248E+01 0.167E-01 RMM: 2 -0.327820083095E+03 -0.11928E-01 -0.84330E-02 5059 0.692E-01 0.828E-01 RMM: 3 -0.327815300836E+03 0.47823E-02 -0.88716E-03 5672 0.191E-01 0.158E-01 RMM: 4 -0.327815082126E+03 0.21871E-03 -0.52526E-04 4754 0.493E-02 0.756E-02 RMM: 5 -0.327815043743E+03 0.38384E-04 -0.67283E-05 3438 0.234E-02 0.618E-02 RMM: 6 -0.327815028319E+03 0.15424E-04 -0.23227E-05 2547 0.144E-02 9021 T= 7006. E= 0.67574129E+03 F= 0.62845396E+03 E0= 0.65682374E+03 EK= 0.57054E+02 SP= -.10E+02 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327895379207E+03 -0.80335E-01 -0.11938E-01 7392 0.250E+01 0.266E-01 RMM: 2 -0.327917875929E+03 -0.22497E-01 -0.91090E-02 4913 0.741E-01 0.149E+00 RMM: 3 -0.327902586082E+03 0.15290E-01 -0.12925E-02 5404 0.265E-01 0.214E-01 RMM: 4 -0.327902273743E+03 0.31234E-03 -0.11800E-03 4931 0.652E-02 0.893E-02 RMM: 5 -0.327902222101E+03 0.51641E-04 -0.11526E-04 3836 0.311E-02 0.755E-02 RMM: 6 -0.327902190894E+03 0.31207E-04 -0.27609E-05 2593 0.155E-02 0.518E-02 RMM: 7 -0.327902197949E+03 -0.70554E-05 -0.33555E-05 2797 0.173E-02 9022 T= 7065. E= 0.67573985E+03 F= 0.62836679E+03 E0= 0.65678819E+03 EK= 0.57532E+02 SP= -.10E+02 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328001124957E+03 -0.98934E-01 -0.12066E-01 7520 0.251E+01 0.277E-01 RMM: 2 -0.328022609058E+03 -0.21484E-01 -0.92893E-02 4912 0.759E-01 0.143E+00 RMM: 3 -0.328008280452E+03 0.14329E-01 -0.12553E-02 5389 0.261E-01 0.245E-01 RMM: 4 -0.328007922895E+03 0.35756E-03 -0.13131E-03 4728 0.769E-02 0.126E-01 RMM: 5 -0.328007899206E+03 0.23688E-04 -0.20060E-04 3887 0.370E-02 0.124E-01 RMM: 6 -0.328007797236E+03 0.10197E-03 -0.63868E-05 3371 0.237E-02 0.322E-02 RMM: 7 -0.328007798133E+03 -0.89702E-06 -0.17377E-05 2514 0.130E-02 9023 T= 7123. E= 0.67573785E+03 F= 0.62826119E+03 E0= 0.65673590E+03 EK= 0.58007E+02 SP= -.11E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328086417599E+03 -0.78620E-01 -0.12470E-01 7648 0.252E+01 0.206E-01 RMM: 2 -0.328102116418E+03 -0.15699E-01 -0.98437E-02 4911 0.757E-01 0.104E+00 RMM: 3 -0.328094663390E+03 0.74530E-02 -0.11197E-02 5548 0.221E-01 0.185E-01 RMM: 4 -0.328094379831E+03 0.28356E-03 -0.75142E-04 4767 0.590E-02 0.909E-02 RMM: 5 -0.328094322098E+03 0.57734E-04 -0.10691E-04 3782 0.289E-02 0.666E-02 RMM: 6 -0.328094298290E+03 0.23807E-04 -0.27617E-05 2585 0.153E-02 0.497E-02 RMM: 7 -0.328094296954E+03 0.13366E-05 -0.35638E-05 2676 0.168E-02 9024 T= 7176. E= 0.67573531E+03 F= 0.62817469E+03 E0= 0.65670350E+03 EK= 0.58439E+02 SP= -.11E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328106374323E+03 -0.12076E-01 -0.12163E-01 7736 0.253E+01 0.201E-01 RMM: 2 -0.328121635372E+03 -0.15261E-01 -0.11103E-01 4781 0.807E-01 0.907E-01 RMM: 3 -0.328115909603E+03 0.57258E-02 -0.13495E-02 5807 0.226E-01 0.168E-01 RMM: 4 -0.328115608558E+03 0.30104E-03 -0.75992E-04 4736 0.626E-02 0.107E-01 RMM: 5 -0.328115543895E+03 0.64663E-04 -0.11995E-04 3756 0.307E-02 0.686E-02 RMM: 6 -0.328115518110E+03 0.25786E-04 -0.30442E-05 2718 0.165E-02 0.372E-02 RMM: 7 -0.328115519744E+03 -0.16341E-05 -0.18169E-05 2506 0.135E-02 9025 T= 7218. E= 0.67573246E+03 F= 0.62815347E+03 E0= 0.65673566E+03 EK= 0.58779E+02 SP= -.11E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328009474662E+03 0.10604E+00 -0.13206E-01 7736 0.253E+01 0.183E-01 RMM: 2 -0.328028245031E+03 -0.18770E-01 -0.15736E-01 4739 0.934E-01 0.814E-01 RMM: 3 -0.328023417838E+03 0.48272E-02 -0.18215E-02 6063 0.238E-01 0.162E-01 RMM: 4 -0.328022975049E+03 0.44279E-03 -0.82928E-04 4746 0.700E-02 0.110E-01 RMM: 5 -0.328022887269E+03 0.87781E-04 -0.12508E-04 3839 0.321E-02 0.616E-02 RMM: 6 -0.328022868377E+03 0.18891E-04 -0.28668E-05 2566 0.154E-02 9026 T= 7242. E= 0.67573067E+03 F= 0.62824612E+03 E0= 0.65687932E+03 EK= 0.58978E+02 SP= -.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327765237989E+03 0.25765E+00 -0.12731E-01 7720 0.253E+01 0.196E-01 RMM: 2 -0.327783899648E+03 -0.18662E-01 -0.12431E-01 4866 0.828E-01 0.106E+00 RMM: 3 -0.327775965505E+03 0.79341E-02 -0.14190E-02 5692 0.234E-01 0.185E-01 RMM: 4 -0.327775601645E+03 0.36386E-03 -0.83892E-04 4919 0.618E-02 0.853E-02 RMM: 5 -0.327775551752E+03 0.49893E-04 -0.11226E-04 3950 0.289E-02 0.648E-02 RMM: 6 -0.327775539308E+03 0.12444E-04 -0.27792E-05 2565 0.155E-02 9027 T= 7244. E= 0.67572967E+03 F= 0.62849345E+03 E0= 0.65717342E+03 EK= 0.58991E+02 SP= -.12E+02 SK= 0.98E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327335117568E+03 0.44043E+00 -0.13004E-01 7536 0.252E+01 0.338E-01 RMM: 2 -0.327373337542E+03 -0.38220E-01 -0.13714E-01 4879 0.890E-01 0.195E+00 RMM: 3 -0.327346146709E+03 0.27191E-01 -0.18679E-02 5389 0.315E-01 0.323E-01 RMM: 4 -0.327345388533E+03 0.75818E-03 -0.21646E-03 5095 0.946E-02 0.973E-02 RMM: 5 -0.327345352231E+03 0.36302E-04 -0.25161E-04 4180 0.325E-02 0.955E-02 RMM: 6 -0.327345295518E+03 0.56713E-04 -0.39074E-05 2990 0.186E-02 0.508E-02 RMM: 7 -0.327345302566E+03 -0.70483E-05 -0.27479E-05 2582 0.154E-02 9028 T= 7219. E= 0.67572992E+03 F= 0.62892369E+03 E0= 0.65764532E+03 EK= 0.58790E+02 SP= -.12E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326714281053E+03 0.63101E+00 -0.12398E-01 7448 0.252E+01 0.262E-01 RMM: 2 -0.326737675738E+03 -0.23395E-01 -0.11836E-01 4873 0.809E-01 0.139E+00 RMM: 3 -0.326724045253E+03 0.13630E-01 -0.14540E-02 5420 0.269E-01 0.304E-01 RMM: 4 -0.326723402822E+03 0.64243E-03 -0.15755E-03 4899 0.843E-02 0.971E-02 RMM: 5 -0.326723383044E+03 0.19777E-04 -0.21417E-04 3911 0.346E-02 0.103E-01 RMM: 6 -0.326723315130E+03 0.67915E-04 -0.45310E-05 3101 0.201E-02 0.403E-02 RMM: 7 -0.326723314352E+03 0.77772E-06 -0.20038E-05 2511 0.136E-02 9029 T= 7168. E= 0.67573204E+03 F= 0.62954567E+03 E0= 0.65830312E+03 EK= 0.58368E+02 SP= -.12E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325917557790E+03 0.80576E+00 -0.12377E-01 7704 0.250E+01 0.236E-01 RMM: 2 -0.325939680751E+03 -0.22123E-01 -0.12430E-01 4916 0.818E-01 0.130E+00 RMM: 3 -0.325927995764E+03 0.11685E-01 -0.14668E-02 5563 0.250E-01 0.213E-01 RMM: 4 -0.325927585080E+03 0.41068E-03 -0.11033E-03 4904 0.681E-02 0.930E-02 RMM: 5 -0.325927538375E+03 0.46705E-04 -0.14017E-04 3914 0.304E-02 0.753E-02 RMM: 6 -0.325927504114E+03 0.34261E-04 -0.28952E-05 2645 0.157E-02 0.487E-02 RMM: 7 -0.325927506459E+03 -0.23452E-05 -0.25076E-05 2592 0.151E-02 9030 T= 7091. E= 0.67573527E+03 F= 0.63034148E+03 E0= 0.65912860E+03 EK= 0.57744E+02 SP= -.12E+02 SK= 0.40E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324989659785E+03 0.93784E+00 -0.12839E-01 7688 0.249E+01 0.198E-01 RMM: 2 -0.325007252485E+03 -0.17593E-01 -0.13299E-01 4844 0.842E-01 0.922E-01 RMM: 3 -0.325001069234E+03 0.61833E-02 -0.15118E-02 5823 0.236E-01 0.184E-01 RMM: 4 -0.325000666622E+03 0.40261E-03 -0.85933E-04 4955 0.631E-02 0.920E-02 RMM: 5 -0.325000629272E+03 0.37349E-04 -0.11830E-04 3773 0.293E-02 0.740E-02 RMM: 6 -0.325000596731E+03 0.32541E-04 -0.29455E-05 2760 0.163E-02 0.413E-02 RMM: 7 -0.325000598246E+03 -0.15150E-05 -0.22499E-05 2531 0.149E-02 9031 T= 6995. E= 0.67574019E+03 F= 0.63126839E+03 E0= 0.66007947E+03 EK= 0.56964E+02 SP= -.13E+02 SK= 0.30E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323996664238E+03 0.10039E+01 -0.13200E-01 7760 0.246E+01 0.196E-01 RMM: 2 -0.324016002752E+03 -0.19339E-01 -0.14931E-01 4836 0.890E-01 0.939E-01 RMM: 3 -0.324009720021E+03 0.62827E-02 -0.17298E-02 5920 0.243E-01 0.182E-01 RMM: 4 -0.324009262981E+03 0.45704E-03 -0.87301E-04 4868 0.656E-02 0.103E-01 RMM: 5 -0.324009203852E+03 0.59128E-04 -0.12655E-04 3824 0.297E-02 0.753E-02 RMM: 6 -0.324009172777E+03 0.31075E-04 -0.31455E-05 2762 0.168E-02 0.473E-02 RMM: 7 -0.324009173164E+03 -0.38678E-06 -0.28222E-05 2585 0.159E-02 9032 T= 6889. E= 0.67574564E+03 F= 0.63225982E+03 E0= 0.66109005E+03 EK= 0.56097E+02 SP= -.13E+02 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323020358718E+03 0.98881E+00 -0.12447E-01 7712 0.244E+01 0.231E-01 RMM: 2 -0.323040244099E+03 -0.19885E-01 -0.13195E-01 4881 0.851E-01 0.112E+00 RMM: 3 -0.323031482781E+03 0.87613E-02 -0.15137E-02 5735 0.248E-01 0.227E-01 RMM: 4 -0.323030986075E+03 0.49671E-03 -0.10145E-03 4819 0.685E-02 0.899E-02 RMM: 5 -0.323030956854E+03 0.29221E-04 -0.14268E-04 3877 0.307E-02 0.834E-02 RMM: 6 -0.323030918615E+03 0.38239E-04 -0.34001E-05 2904 0.175E-02 0.454E-02 RMM: 7 -0.323030923041E+03 -0.44265E-05 -0.19811E-05 2534 0.137E-02 9033 T= 6782. E= 0.67575015E+03 F= 0.63323807E+03 E0= 0.66208192E+03 EK= 0.55225E+02 SP= -.13E+02 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322123954723E+03 0.90696E+00 -0.12009E-01 7912 0.243E+01 0.219E-01 RMM: 2 -0.322142306517E+03 -0.18352E-01 -0.12192E-01 5054 0.796E-01 0.108E+00 RMM: 3 -0.322133979938E+03 0.83266E-02 -0.12705E-02 5779 0.227E-01 0.215E-01 RMM: 4 -0.322133552524E+03 0.42741E-03 -0.87954E-04 4764 0.638E-02 0.906E-02 RMM: 5 -0.322133519068E+03 0.33456E-04 -0.12864E-04 3834 0.293E-02 0.814E-02 RMM: 6 -0.322133481651E+03 0.37417E-04 -0.30689E-05 2789 0.167E-02 0.457E-02 RMM: 7 -0.322133487214E+03 -0.55632E-05 -0.22248E-05 2552 0.142E-02 9034 T= 6683. E= 0.67575318E+03 F= 0.63413550E+03 E0= 0.66298737E+03 EK= 0.54420E+02 SP= -.13E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321350919013E+03 0.78256E+00 -0.12395E-01 7960 0.241E+01 0.232E-01 RMM: 2 -0.321371202545E+03 -0.20284E-01 -0.13538E-01 4933 0.843E-01 0.112E+00 RMM: 3 -0.321362160130E+03 0.90424E-02 -0.15020E-02 5725 0.249E-01 0.209E-01 RMM: 4 -0.321361740472E+03 0.41966E-03 -0.10214E-03 4882 0.665E-02 0.951E-02 RMM: 5 -0.321361704231E+03 0.36242E-04 -0.14293E-04 3878 0.316E-02 0.870E-02 RMM: 6 -0.321361660084E+03 0.44147E-04 -0.36857E-05 2985 0.177E-02 0.432E-02 RMM: 7 -0.321361665130E+03 -0.50458E-05 -0.22670E-05 2555 0.145E-02 9035 T= 6598. E= 0.67575454E+03 F= 0.63490732E+03 E0= 0.66376139E+03 EK= 0.53730E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320726413188E+03 0.63525E+00 -0.12112E-01 8360 0.240E+01 0.227E-01 RMM: 2 -0.320744898809E+03 -0.18486E-01 -0.11798E-01 5174 0.773E-01 0.112E+00 RMM: 3 -0.320736024963E+03 0.88738E-02 -0.11675E-02 5740 0.222E-01 0.226E-01 RMM: 4 -0.320735581354E+03 0.44361E-03 -0.91177E-04 4726 0.644E-02 0.933E-02 RMM: 5 -0.320735544625E+03 0.36729E-04 -0.12923E-04 3844 0.286E-02 0.819E-02 RMM: 6 -0.320735506508E+03 0.38117E-04 -0.29821E-05 2790 0.165E-02 0.474E-02 RMM: 7 -0.320735512992E+03 -0.64842E-05 -0.22699E-05 2550 0.143E-02 9036 T= 6530. E= 0.67575498E+03 F= 0.63553348E+03 E0= 0.66438440E+03 EK= 0.53180E+02 SP= -.13E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320256241273E+03 0.47927E+00 -0.12377E-01 8312 0.240E+01 0.244E-01 RMM: 2 -0.320276105372E+03 -0.19864E-01 -0.12881E-01 5177 0.801E-01 0.114E+00 RMM: 3 -0.320266761419E+03 0.93440E-02 -0.13385E-02 5675 0.240E-01 0.202E-01 RMM: 4 -0.320266418745E+03 0.34267E-03 -0.10348E-03 4903 0.647E-02 0.103E-01 RMM: 5 -0.320266367476E+03 0.51269E-04 -0.12818E-04 3849 0.293E-02 0.887E-02 RMM: 6 -0.320266322980E+03 0.44496E-04 -0.33316E-05 2926 0.170E-02 0.480E-02 RMM: 7 -0.320266328617E+03 -0.56371E-05 -0.29315E-05 2625 0.160E-02 9037 T= 6482. E= 0.67575640E+03 F= 0.63600266E+03 E0= 0.66484617E+03 EK= 0.52787E+02 SP= -.13E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319968589610E+03 0.29773E+00 -0.12728E-01 8552 0.239E+01 0.240E-01 RMM: 2 -0.319990476923E+03 -0.21887E-01 -0.13783E-01 5243 0.813E-01 0.121E+00 RMM: 3 -0.319979976873E+03 0.10500E-01 -0.13300E-02 5788 0.231E-01 0.246E-01 RMM: 4 -0.319979449609E+03 0.52726E-03 -0.10300E-03 4717 0.692E-02 0.100E-01 RMM: 5 -0.319979402386E+03 0.47223E-04 -0.14519E-04 3905 0.291E-02 0.858E-02 RMM: 6 -0.319979362481E+03 0.39904E-04 -0.30755E-05 2833 0.167E-02 0.538E-02 RMM: 7 -0.319979369244E+03 -0.67630E-05 -0.25893E-05 2588 0.151E-02 9038 T= 6456. E= 0.67575950E+03 F= 0.63628962E+03 E0= 0.66512349E+03 EK= 0.52577E+02 SP= -.13E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319910480932E+03 0.68882E-01 -0.13307E-01 8296 0.239E+01 0.246E-01 RMM: 2 -0.319932585864E+03 -0.22105E-01 -0.15208E-01 5261 0.842E-01 0.114E+00 RMM: 3 -0.319922947297E+03 0.96386E-02 -0.14858E-02 5778 0.245E-01 0.195E-01 RMM: 4 -0.319922611875E+03 0.33542E-03 -0.10952E-03 5045 0.647E-02 0.107E-01 RMM: 5 -0.319922545327E+03 0.66548E-04 -0.12053E-04 3791 0.283E-02 0.895E-02 RMM: 6 -0.319922502953E+03 0.42374E-04 -0.33000E-05 2908 0.171E-02 0.538E-02 RMM: 7 -0.319922507708E+03 -0.47551E-05 -0.47955E-05 3098 0.190E-02 9039 T= 6459. E= 0.67576352E+03 F= 0.63634648E+03 E0= 0.66517089E+03 EK= 0.52601E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320144668212E+03 -0.22217E+00 -0.13893E-01 8496 0.238E+01 0.209E-01 RMM: 2 -0.320164872584E+03 -0.20204E-01 -0.14804E-01 5265 0.816E-01 0.101E+00 RMM: 3 -0.320157046376E+03 0.78262E-02 -0.13034E-02 5992 0.219E-01 0.190E-01 RMM: 4 -0.320156698223E+03 0.34815E-03 -0.82362E-04 4683 0.638E-02 0.119E-01 RMM: 5 -0.320156616384E+03 0.81839E-04 -0.12607E-04 3744 0.287E-02 0.802E-02 RMM: 6 -0.320156582919E+03 0.33465E-04 -0.30904E-05 2814 0.168E-02 0.532E-02 RMM: 7 -0.320156591190E+03 -0.82710E-05 -0.30669E-05 2638 0.160E-02 9040 T= 6498. E= 0.67576690E+03 F= 0.63611240E+03 E0= 0.66492888E+03 EK= 0.52916E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320718745567E+03 -0.56216E+00 -0.13624E-01 8416 0.237E+01 0.205E-01 RMM: 2 -0.320737106083E+03 -0.18361E-01 -0.14682E-01 5184 0.819E-01 0.881E-01 RMM: 3 -0.320730999493E+03 0.61066E-02 -0.13661E-02 5979 0.227E-01 0.163E-01 RMM: 4 -0.320730733907E+03 0.26559E-03 -0.79818E-04 4955 0.584E-02 0.112E-01 RMM: 5 -0.320730650107E+03 0.83800E-04 -0.10182E-04 3829 0.253E-02 0.780E-02 RMM: 6 -0.320730622684E+03 0.27423E-04 -0.29004E-05 2697 0.164E-02 0.521E-02 RMM: 7 -0.320730631218E+03 -0.85345E-05 -0.43112E-05 2946 0.182E-02 9041 T= 6578. E= 0.67576730E+03 F= 0.63553836E+03 E0= 0.66435012E+03 EK= 0.53569E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321644906515E+03 -0.91428E+00 -0.13910E-01 8448 0.238E+01 0.173E-01 RMM: 2 -0.321661121364E+03 -0.16215E-01 -0.13817E-01 5226 0.788E-01 0.722E-01 RMM: 3 -0.321656542823E+03 0.45785E-02 -0.11726E-02 6086 0.205E-01 0.151E-01 RMM: 4 -0.321656316012E+03 0.22681E-03 -0.61122E-04 4651 0.558E-02 0.128E-01 RMM: 5 -0.321656210055E+03 0.10596E-03 -0.10448E-04 3669 0.278E-02 0.678E-02 RMM: 6 -0.321656188660E+03 0.21395E-04 -0.29113E-05 2737 0.162E-02 0.517E-02 RMM: 7 -0.321656195678E+03 -0.70178E-05 -0.37203E-05 2769 0.175E-02 9042 T= 6701. E= 0.67576395E+03 F= 0.63461279E+03 E0= 0.66342400E+03 EK= 0.54568E+02 SP= -.13E+02 SK= 0.10E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322882720189E+03 -0.12265E+01 -0.14529E-01 8392 0.240E+01 0.221E-01 RMM: 2 -0.322902878265E+03 -0.20158E-01 -0.15060E-01 4986 0.855E-01 0.983E-01 RMM: 3 -0.322895559200E+03 0.73191E-02 -0.15448E-02 5865 0.245E-01 0.206E-01 RMM: 4 -0.322895134374E+03 0.42483E-03 -0.97624E-04 4831 0.672E-02 0.104E-01 RMM: 5 -0.322895080137E+03 0.54237E-04 -0.14304E-04 3887 0.309E-02 0.885E-02 RMM: 6 -0.322895036299E+03 0.43838E-04 -0.37137E-05 2948 0.183E-02 0.449E-02 RMM: 7 -0.322895044981E+03 -0.86820E-05 -0.27658E-05 2599 0.158E-02 9043 T= 6861. E= 0.67575713E+03 F= 0.63337394E+03 E0= 0.66218883E+03 EK= 0.55870E+02 SP= -.13E+02 SK= 0.74E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324346050902E+03 -0.14510E+01 -0.14885E-01 8320 0.243E+01 0.213E-01 RMM: 2 -0.324367299994E+03 -0.21249E-01 -0.15327E-01 4976 0.869E-01 0.104E+00 RMM: 3 -0.324359247127E+03 0.80529E-02 -0.15355E-02 5806 0.247E-01 0.205E-01 RMM: 4 -0.324358833254E+03 0.41387E-03 -0.95695E-04 4860 0.667E-02 0.102E-01 RMM: 5 -0.324358774758E+03 0.58496E-04 -0.14086E-04 3877 0.322E-02 0.772E-02 RMM: 6 -0.324358744282E+03 0.30476E-04 -0.35001E-05 2835 0.174E-02 0.531E-02 RMM: 7 -0.324358752701E+03 -0.84193E-05 -0.33437E-05 2647 0.172E-02 9044 T= 7046. E= 0.67574790E+03 F= 0.63191024E+03 E0= 0.66073208E+03 EK= 0.57382E+02 SP= -.14E+02 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.325911477678E+03 -0.15527E+01 -0.15109E-01 8672 0.246E+01 0.232E-01 RMM: 2 -0.325931786228E+03 -0.20309E-01 -0.14442E-01 5016 0.840E-01 0.105E+00 RMM: 3 -0.325923681738E+03 0.81045E-02 -0.14683E-02 5731 0.249E-01 0.230E-01 RMM: 4 -0.325923265203E+03 0.41654E-03 -0.10535E-03 4788 0.691E-02 0.116E-01 RMM: 5 -0.325923196088E+03 0.69115E-04 -0.16305E-04 3882 0.339E-02 0.964E-02 RMM: 6 -0.325923141687E+03 0.54401E-04 -0.48363E-05 3148 0.205E-02 0.471E-02 RMM: 7 -0.325923144045E+03 -0.23581E-05 -0.35828E-05 2744 0.180E-02 9045 T= 7242. E= 0.67573744E+03 F= 0.63034585E+03 E0= 0.65917767E+03 EK= 0.58971E+02 SP= -.14E+02 SK= 0.69E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327437307952E+03 -0.15142E+01 -0.15885E-01 8704 0.250E+01 0.206E-01 RMM: 2 -0.327457511901E+03 -0.20204E-01 -0.15576E-01 4999 0.878E-01 0.942E-01 RMM: 3 -0.327450748836E+03 0.67631E-02 -0.15582E-02 5935 0.240E-01 0.198E-01 RMM: 4 -0.327450324193E+03 0.42464E-03 -0.87141E-04 4742 0.673E-02 0.121E-01 RMM: 5 -0.327450232927E+03 0.91266E-04 -0.15167E-04 3883 0.336E-02 0.799E-02 RMM: 6 -0.327450201699E+03 0.31228E-04 -0.36463E-05 2872 0.180E-02 0.561E-02 RMM: 7 -0.327450202754E+03 -0.10547E-05 -0.37047E-05 2656 0.178E-02 9046 T= 7428. E= 0.67572707E+03 F= 0.62881879E+03 E0= 0.65766273E+03 EK= 0.60493E+02 SP= -.14E+02 SK= 0.36E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.328793783270E+03 -0.13436E+01 -0.15943E-01 8624 0.254E+01 0.200E-01 RMM: 2 -0.328811568906E+03 -0.17786E-01 -0.15034E-01 5075 0.853E-01 0.794E-01 RMM: 3 -0.328806511226E+03 0.50577E-02 -0.14165E-02 6015 0.230E-01 0.168E-01 RMM: 4 -0.328806219947E+03 0.29128E-03 -0.76408E-04 4795 0.611E-02 0.134E-01 RMM: 5 -0.328806098857E+03 0.12109E-03 -0.12527E-04 3819 0.309E-02 0.778E-02 RMM: 6 -0.328806071693E+03 0.27165E-04 -0.33848E-05 2774 0.174E-02 0.540E-02 RMM: 7 -0.328806064238E+03 0.74543E-05 -0.42325E-05 2806 0.185E-02 9047 T= 7589. E= 0.67571776E+03 F= 0.62746293E+03 E0= 0.65631984E+03 EK= 0.61803E+02 SP= -.14E+02 SK= 0.54E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329863508085E+03 -0.10574E+01 -0.16250E-01 8824 0.257E+01 0.189E-01 RMM: 2 -0.329881181736E+03 -0.17674E-01 -0.14551E-01 5156 0.829E-01 0.818E-01 RMM: 3 -0.329875736867E+03 0.54449E-02 -0.12851E-02 6057 0.217E-01 0.170E-01 RMM: 4 -0.329875425327E+03 0.31154E-03 -0.71019E-04 4688 0.618E-02 0.130E-01 RMM: 5 -0.329875309260E+03 0.11607E-03 -0.13297E-04 3836 0.314E-02 0.759E-02 RMM: 6 -0.329875283890E+03 0.25370E-04 -0.30741E-05 2745 0.167E-02 0.565E-02 RMM: 7 -0.329875278109E+03 0.57815E-05 -0.40532E-05 2701 0.180E-02 9048 T= 7709. E= 0.67571076E+03 F= 0.62639371E+03 E0= 0.65526326E+03 EK= 0.62779E+02 SP= -.13E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330565415203E+03 -0.69013E+00 -0.16341E-01 8912 0.259E+01 0.201E-01 RMM: 2 -0.330582918384E+03 -0.17503E-01 -0.14131E-01 5160 0.816E-01 0.863E-01 RMM: 3 -0.330577134429E+03 0.57840E-02 -0.12558E-02 6072 0.217E-01 0.180E-01 RMM: 4 -0.330576813176E+03 0.32125E-03 -0.72519E-04 4704 0.608E-02 0.125E-01 RMM: 5 -0.330576709844E+03 0.10333E-03 -0.11859E-04 3758 0.288E-02 0.768E-02 RMM: 6 -0.330576684397E+03 0.25447E-04 -0.30118E-05 2708 0.166E-02 0.544E-02 RMM: 7 -0.330576684188E+03 0.20886E-06 -0.35993E-05 2697 0.169E-02 9049 T= 7777. E= 0.67570678E+03 F= 0.62569231E+03 E0= 0.65457283E+03 EK= 0.63335E+02 SP= -.13E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330861715646E+03 -0.28503E+00 -0.16320E-01 8784 0.261E+01 0.200E-01 RMM: 2 -0.330879755910E+03 -0.18040E-01 -0.13863E-01 5273 0.806E-01 0.914E-01 RMM: 3 -0.330873144470E+03 0.66114E-02 -0.11449E-02 5996 0.212E-01 0.175E-01 RMM: 4 -0.330872861313E+03 0.28316E-03 -0.72471E-04 4712 0.600E-02 0.120E-01 RMM: 5 -0.330872769970E+03 0.91343E-04 -0.11584E-04 3738 0.283E-02 0.768E-02 RMM: 6 -0.330872742081E+03 0.27889E-04 -0.29529E-05 2751 0.165E-02 0.540E-02 RMM: 7 -0.330872744468E+03 -0.23865E-05 -0.40020E-05 2811 0.178E-02 9050 T= 7789. E= 0.67570640E+03 F= 0.62539624E+03 E0= 0.65428432E+03 EK= 0.63429E+02 SP= -.13E+02 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330762820161E+03 0.10992E+00 -0.16510E-01 8808 0.260E+01 0.223E-01 RMM: 2 -0.330782971972E+03 -0.20152E-01 -0.14559E-01 5166 0.840E-01 0.105E+00 RMM: 3 -0.330774875710E+03 0.80963E-02 -0.13249E-02 5888 0.233E-01 0.215E-01 RMM: 4 -0.330774487936E+03 0.38777E-03 -0.90701E-04 4775 0.651E-02 0.109E-01 RMM: 5 -0.330774427195E+03 0.60741E-04 -0.13211E-04 3813 0.292E-02 0.896E-02 RMM: 6 -0.330774382750E+03 0.44445E-04 -0.36223E-05 2969 0.182E-02 0.517E-02 RMM: 7 -0.330774387380E+03 -0.46295E-05 -0.31807E-05 2682 0.166E-02 9051 T= 7745. E= 0.67570946E+03 F= 0.62549460E+03 E0= 0.65438470E+03 EK= 0.63074E+02 SP= -.13E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330325276338E+03 0.44911E+00 -0.15445E-01 8640 0.258E+01 0.232E-01 RMM: 2 -0.330345754903E+03 -0.20479E-01 -0.13354E-01 5294 0.806E-01 0.114E+00 RMM: 3 -0.330336090996E+03 0.96639E-02 -0.11704E-02 5757 0.228E-01 0.224E-01 RMM: 4 -0.330335697494E+03 0.39350E-03 -0.94093E-04 4749 0.661E-02 0.107E-01 RMM: 5 -0.330335651616E+03 0.45878E-04 -0.13557E-04 3819 0.297E-02 0.913E-02 RMM: 6 -0.330335604155E+03 0.47461E-04 -0.32814E-05 2887 0.175E-02 0.502E-02 RMM: 7 -0.330335608184E+03 -0.40287E-05 -0.25246E-05 2579 0.151E-02 9052 T= 7654. E= 0.67571441E+03 F= 0.62593338E+03 E0= 0.65481841E+03 EK= 0.62326E+02 SP= -.13E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329619963766E+03 0.71564E+00 -0.14655E-01 8432 0.256E+01 0.231E-01 RMM: 2 -0.329639213241E+03 -0.19249E-01 -0.12530E-01 5211 0.796E-01 0.112E+00 RMM: 3 -0.329630205648E+03 0.90076E-02 -0.11826E-02 5647 0.232E-01 0.228E-01 RMM: 4 -0.329629811778E+03 0.39387E-03 -0.95976E-04 4796 0.654E-02 0.101E-01 RMM: 5 -0.329629769195E+03 0.42583E-04 -0.13414E-04 3851 0.306E-02 0.881E-02 RMM: 6 -0.329629723429E+03 0.45765E-04 -0.34580E-05 2919 0.177E-02 0.520E-02 RMM: 7 -0.329629728527E+03 -0.50974E-05 -0.31310E-05 2638 0.168E-02 9053 T= 7523. E= 0.67571962E+03 F= 0.62663926E+03 E0= 0.65551052E+03 EK= 0.61265E+02 SP= -.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328717192391E+03 0.91253E+00 -0.13616E-01 8080 0.253E+01 0.228E-01 RMM: 2 -0.328735421093E+03 -0.18229E-01 -0.10786E-01 5232 0.748E-01 0.116E+00 RMM: 3 -0.328726005846E+03 0.94152E-02 -0.10257E-02 5499 0.221E-01 0.247E-01 RMM: 4 -0.328725575239E+03 0.43061E-03 -0.97306E-04 4718 0.666E-02 0.943E-02 RMM: 5 -0.328725544783E+03 0.30456E-04 -0.14355E-04 3869 0.306E-02 0.899E-02 RMM: 6 -0.328725495360E+03 0.49423E-04 -0.34341E-05 2930 0.179E-02 0.440E-02 RMM: 7 -0.328725498038E+03 -0.26780E-05 -0.20811E-05 2530 0.140E-02 9054 T= 7364. E= 0.67572376E+03 F= 0.62754349E+03 E0= 0.65639152E+03 EK= 0.59966E+02 SP= -.12E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327665099089E+03 0.10604E+01 -0.12712E-01 7792 0.250E+01 0.212E-01 RMM: 2 -0.327681427222E+03 -0.16328E-01 -0.10134E-01 5070 0.734E-01 0.107E+00 RMM: 3 -0.327673399418E+03 0.80278E-02 -0.10497E-02 5542 0.220E-01 0.216E-01 RMM: 4 -0.327673052007E+03 0.34741E-03 -0.85311E-04 4782 0.617E-02 0.878E-02 RMM: 5 -0.327673024189E+03 0.27817E-04 -0.12082E-04 3829 0.293E-02 0.847E-02 RMM: 6 -0.327672979599E+03 0.44590E-04 -0.31974E-05 2861 0.171E-02 0.432E-02 RMM: 7 -0.327672983811E+03 -0.42120E-05 -0.22098E-05 2544 0.141E-02 9055 T= 7183. E= 0.67572710E+03 F= 0.62859601E+03 E0= 0.65741238E+03 EK= 0.58491E+02 SP= -.12E+02 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326497410169E+03 0.11756E+01 -0.11419E-01 7640 0.247E+01 0.214E-01 RMM: 2 -0.326511294427E+03 -0.13884E-01 -0.86562E-02 5145 0.685E-01 0.988E-01 RMM: 3 -0.326504291233E+03 0.70032E-02 -0.88752E-03 5483 0.207E-01 0.228E-01 RMM: 4 -0.326503923891E+03 0.36734E-03 -0.80680E-04 4695 0.606E-02 0.873E-02 RMM: 5 -0.326503905310E+03 0.18581E-04 -0.12575E-04 3845 0.294E-02 9056 T= 6985. E= 0.67573093E+03 F= 0.62976508E+03 E0= 0.65854231E+03 EK= 0.56881E+02 SP= -.11E+02 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325234824383E+03 0.12691E+01 -0.11231E-01 7952 0.244E+01 0.129E-01 RMM: 2 -0.325244865143E+03 -0.10041E-01 -0.91017E-02 5159 0.674E-01 0.509E-01 RMM: 3 -0.325242459941E+03 0.24052E-02 -0.78637E-03 5809 0.175E-01 0.133E-01 RMM: 4 -0.325242290080E+03 0.16986E-03 -0.38888E-04 4593 0.413E-02 0.862E-02 RMM: 5 -0.325242245659E+03 0.44421E-04 -0.39968E-05 2731 0.200E-02 0.767E-02 RMM: 6 -0.325242232406E+03 0.13252E-04 -0.29895E-05 2683 0.163E-02 9057 T= 6775. E= 0.67573436E+03 F= 0.63102676E+03 E0= 0.65976019E+03 EK= 0.55172E+02 SP= -.11E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323909100004E+03 0.13331E+01 -0.10808E-01 7832 0.241E+01 0.285E-01 RMM: 2 -0.323933712238E+03 -0.24612E-01 -0.83318E-02 4920 0.686E-01 0.162E+00 RMM: 3 -0.323915323827E+03 0.18388E-01 -0.11954E-02 5380 0.262E-01 0.257E-01 RMM: 4 -0.323914898758E+03 0.42507E-03 -0.13080E-03 4715 0.758E-02 0.109E-01 RMM: 5 -0.323914909718E+03 -0.10961E-04 -0.18553E-04 3889 0.353E-02 9058 T= 6558. E= 0.67573921E+03 F= 0.63235408E+03 E0= 0.66104110E+03 EK= 0.53402E+02 SP= -.10E+02 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322558285002E+03 0.13566E+01 -0.10726E-01 7864 0.237E+01 0.299E-01 RMM: 2 -0.322588786341E+03 -0.30501E-01 -0.10197E-01 5262 0.730E-01 0.182E+00 RMM: 3 -0.322566079111E+03 0.22707E-01 -0.12793E-02 5382 0.268E-01 0.313E-01 RMM: 4 -0.322565387692E+03 0.69142E-03 -0.14409E-03 4738 0.783E-02 0.104E-01 RMM: 5 -0.322565313949E+03 0.73743E-04 -0.15102E-04 3945 0.311E-02 0.898E-02 RMM: 6 -0.322565269084E+03 0.44865E-04 -0.30945E-05 2651 0.166E-02 0.640E-02 RMM: 7 -0.322565271181E+03 -0.20971E-05 -0.49679E-05 3160 0.192E-02 9059 T= 6339. E= 0.67574489E+03 F= 0.63370372E+03 E0= 0.66234365E+03 EK= 0.51623E+02 SP= -.10E+02 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321247129248E+03 0.13181E+01 -0.10064E-01 7928 0.234E+01 0.223E-01 RMM: 2 -0.321263757651E+03 -0.16628E-01 -0.80273E-02 5000 0.650E-01 0.121E+00 RMM: 3 -0.321253335608E+03 0.10422E-01 -0.94547E-03 5410 0.227E-01 0.200E-01 RMM: 4 -0.321253096396E+03 0.23921E-03 -0.87861E-04 4884 0.595E-02 0.932E-02 RMM: 5 -0.321253067705E+03 0.28691E-04 -0.10384E-04 3727 0.291E-02 0.819E-02 RMM: 6 -0.321253024587E+03 0.43118E-04 -0.29600E-05 2843 0.169E-02 0.293E-02 RMM: 7 -0.321253025538E+03 -0.95118E-06 -0.11166E-05 2486 0.110E-02 9060 T= 6128. E= 0.67575046E+03 F= 0.63501596E+03 E0= 0.66361087E+03 EK= 0.49901E+02 SP= -.95E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320035197374E+03 0.12178E+01 -0.10124E-01 8336 0.230E+01 0.226E-01 RMM: 2 -0.320052966682E+03 -0.17769E-01 -0.10791E-01 4933 0.756E-01 0.112E+00 RMM: 3 -0.320043987254E+03 0.89794E-02 -0.12372E-02 5642 0.237E-01 0.217E-01 RMM: 4 -0.320043580756E+03 0.40650E-03 -0.92185E-04 4753 0.646E-02 0.933E-02 RMM: 5 -0.320043524685E+03 0.56072E-04 -0.11951E-04 3833 0.286E-02 0.810E-02 RMM: 6 -0.320043484864E+03 0.39821E-04 -0.26633E-05 2576 0.154E-02 0.484E-02 RMM: 7 -0.320043478708E+03 0.61564E-05 -0.20221E-05 2536 0.137E-02 9061 T= 5932. E= 0.67575572E+03 F= 0.63622551E+03 E0= 0.66477803E+03 EK= 0.48309E+02 SP= -.91E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318987952093E+03 0.10555E+01 -0.10019E-01 7960 0.227E+01 0.184E-01 RMM: 2 -0.319003154899E+03 -0.15203E-01 -0.98892E-02 4940 0.729E-01 0.962E-01 RMM: 3 -0.318996291776E+03 0.68631E-02 -0.11068E-02 5658 0.218E-01 0.182E-01 RMM: 4 -0.318995994912E+03 0.29686E-03 -0.73198E-04 4834 0.576E-02 0.790E-02 RMM: 5 -0.318995967526E+03 0.27386E-04 -0.90986E-05 3678 0.269E-02 0.673E-02 RMM: 6 -0.318995943828E+03 0.23698E-04 -0.23084E-05 2564 0.144E-02 0.430E-02 RMM: 7 -0.318995951299E+03 -0.74710E-05 -0.19884E-05 2543 0.137E-02 9062 T= 5760. E= 0.67575941E+03 F= 0.63727304E+03 E0= 0.66578716E+03 EK= 0.46908E+02 SP= -.87E+01 SK= 0.29E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318146073560E+03 0.84987E+00 -0.97451E-02 8040 0.224E+01 0.211E-01 RMM: 2 -0.318162652223E+03 -0.16579E-01 -0.99533E-02 4936 0.730E-01 0.110E+00 RMM: 3 -0.318154115406E+03 0.85368E-02 -0.11250E-02 5643 0.227E-01 0.173E-01 RMM: 4 -0.318153911049E+03 0.20436E-03 -0.83106E-04 4849 0.604E-02 0.115E-01 RMM: 5 -0.318153840950E+03 0.70099E-04 -0.11763E-04 3754 0.289E-02 0.834E-02 RMM: 6 -0.318153797881E+03 0.43068E-04 -0.35583E-05 2941 0.183E-02 0.359E-02 RMM: 7 -0.318153798563E+03 -0.68193E-06 -0.16501E-05 2506 0.127E-02 9063 T= 5617. E= 0.67576132E+03 F= 0.63811519E+03 E0= 0.66659432E+03 EK= 0.45745E+02 SP= -.83E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317530687834E+03 0.62311E+00 -0.96583E-02 8104 0.222E+01 0.170E-01 RMM: 2 -0.317544006072E+03 -0.13318E-01 -0.99022E-02 4949 0.732E-01 0.812E-01 RMM: 3 -0.317539171492E+03 0.48346E-02 -0.10896E-02 5747 0.211E-01 0.159E-01 RMM: 4 -0.317538926157E+03 0.24534E-03 -0.63857E-04 4865 0.544E-02 0.899E-02 RMM: 5 -0.317538876185E+03 0.49971E-04 -0.82331E-05 3552 0.260E-02 0.676E-02 RMM: 6 -0.317538854603E+03 0.21583E-04 -0.25124E-05 2562 0.152E-02 0.477E-02 RMM: 7 -0.317538856488E+03 -0.18858E-05 -0.28177E-05 2606 0.159E-02 9064 T= 5507. E= 0.67576199E+03 F= 0.63873013E+03 E0= 0.66717858E+03 EK= 0.44844E+02 SP= -.80E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317151244790E+03 0.38761E+00 -0.91079E-02 8280 0.220E+01 0.185E-01 RMM: 2 -0.317163366855E+03 -0.12122E-01 -0.87018E-02 5086 0.686E-01 0.829E-01 RMM: 3 -0.317158398479E+03 0.49684E-02 -0.93772E-03 5765 0.199E-01 0.139E-01 RMM: 4 -0.317158228007E+03 0.17047E-03 -0.61416E-04 4728 0.531E-02 0.100E-01 RMM: 5 -0.317158178852E+03 0.49154E-04 -0.79499E-05 3578 0.241E-02 0.738E-02 RMM: 6 -0.317158149229E+03 0.29623E-04 -0.24972E-05 2589 0.157E-02 0.371E-02 RMM: 7 -0.317158153065E+03 -0.38359E-05 -0.16632E-05 2500 0.127E-02 9065 T= 5429. E= 0.67576196E+03 F= 0.63911084E+03 E0= 0.66753283E+03 EK= 0.44214E+02 SP= -.77E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316999962243E+03 0.15819E+00 -0.84213E-02 8304 0.218E+01 0.198E-01 RMM: 2 -0.317013086083E+03 -0.13124E-01 -0.78729E-02 5187 0.651E-01 0.971E-01 RMM: 3 -0.317006397861E+03 0.66882E-02 -0.83628E-03 5596 0.195E-01 0.196E-01 RMM: 4 -0.317006113710E+03 0.28415E-03 -0.70444E-04 4672 0.567E-02 0.890E-02 RMM: 5 -0.317006072994E+03 0.40716E-04 -0.92088E-05 3698 0.244E-02 0.749E-02 RMM: 6 -0.317006043371E+03 0.29623E-04 -0.22568E-05 2566 0.147E-02 0.423E-02 RMM: 7 -0.317006045039E+03 -0.16677E-05 -0.15637E-05 2501 0.122E-02 9066 T= 5385. E= 0.67576116E+03 F= 0.63926294E+03 E0= 0.66766343E+03 EK= 0.43849E+02 SP= -.75E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317058030607E+03 -0.51987E-01 -0.80733E-02 7856 0.217E+01 0.183E-01 RMM: 2 -0.317068737538E+03 -0.10707E-01 -0.69507E-02 5252 0.609E-01 0.849E-01 RMM: 3 -0.317063540986E+03 0.51966E-02 -0.72312E-03 5621 0.181E-01 0.169E-01 RMM: 4 -0.317063330295E+03 0.21069E-03 -0.57912E-04 4636 0.498E-02 0.760E-02 RMM: 5 -0.317063305729E+03 0.24565E-04 -0.72280E-05 3516 0.227E-02 0.712E-02 RMM: 6 -0.317063279211E+03 0.26519E-04 -0.22837E-05 2572 0.150E-02 0.385E-02 RMM: 7 -0.317063283639E+03 -0.44285E-05 -0.15661E-05 2499 0.121E-02 9067 T= 5370. E= 0.67575885E+03 F= 0.63920571E+03 E0= 0.66759003E+03 EK= 0.43727E+02 SP= -.72E+01 SK= 0.73E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317287785806E+03 -0.22451E+00 -0.81693E-02 8048 0.216E+01 0.187E-01 RMM: 2 -0.317299191005E+03 -0.11405E-01 -0.64054E-02 5160 0.583E-01 0.941E-01 RMM: 3 -0.317292803224E+03 0.63878E-02 -0.67527E-03 5493 0.180E-01 0.183E-01 RMM: 4 -0.317292581011E+03 0.22221E-03 -0.64620E-04 4634 0.534E-02 0.831E-02 RMM: 5 -0.317292551218E+03 0.29793E-04 -0.88262E-05 3689 0.238E-02 0.737E-02 RMM: 6 -0.317292518663E+03 0.32555E-04 -0.22605E-05 2596 0.148E-02 0.340E-02 RMM: 7 -0.317292519882E+03 -0.12189E-05 -0.12311E-05 2479 0.109E-02 9068 T= 5380. E= 0.67575536E+03 F= 0.63897647E+03 E0= 0.66735099E+03 EK= 0.43813E+02 SP= -.71E+01 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317632504712E+03 -0.33999E+00 -0.82435E-02 8176 0.216E+01 0.170E-01 RMM: 2 -0.317641415709E+03 -0.89110E-02 -0.60943E-02 5281 0.560E-01 0.763E-01 RMM: 3 -0.317637164333E+03 0.42514E-02 -0.58564E-03 5640 0.163E-01 0.157E-01 RMM: 4 -0.317636983270E+03 0.18106E-03 -0.48809E-04 4418 0.465E-02 0.739E-02 RMM: 5 -0.317636955115E+03 0.28155E-04 -0.62202E-05 3397 0.216E-02 0.652E-02 RMM: 6 -0.317636932137E+03 0.22978E-04 -0.21447E-05 2548 0.146E-02 0.367E-02 RMM: 7 -0.317636933346E+03 -0.12086E-05 -0.15104E-05 2493 0.117E-02 9069 T= 5409. E= 0.67575098E+03 F= 0.63863206E+03 E0= 0.66700252E+03 EK= 0.44048E+02 SP= -.70E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318023579030E+03 -0.38665E+00 -0.90518E-02 8584 0.217E+01 0.169E-01 RMM: 2 -0.318034204688E+03 -0.10626E-01 -0.73587E-02 5168 0.604E-01 0.798E-01 RMM: 3 -0.318029387627E+03 0.48171E-02 -0.71574E-03 5680 0.176E-01 0.154E-01 RMM: 4 -0.318029209846E+03 0.17778E-03 -0.54848E-04 4624 0.498E-02 0.871E-02 RMM: 5 -0.318029164934E+03 0.44912E-04 -0.72345E-05 3506 0.229E-02 0.644E-02 RMM: 6 -0.318029143675E+03 0.21260E-04 -0.20711E-05 2551 0.141E-02 0.391E-02 RMM: 7 -0.318029144175E+03 -0.50032E-06 -0.16040E-05 2515 0.120E-02 9070 T= 5448. E= 0.67574684E+03 F= 0.63823985E+03 E0= 0.66661142E+03 EK= 0.44365E+02 SP= -.69E+01 SK= 0.85E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318401636360E+03 -0.37249E+00 -0.94824E-02 8712 0.218E+01 0.157E-01 RMM: 2 -0.318411516729E+03 -0.98804E-02 -0.80669E-02 5355 0.610E-01 0.654E-01 RMM: 3 -0.318407964180E+03 0.35525E-02 -0.70557E-03 5847 0.168E-01 0.147E-01 RMM: 4 -0.318407782029E+03 0.18215E-03 -0.47948E-04 4386 0.459E-02 0.865E-02 RMM: 5 -0.318407731332E+03 0.50697E-04 -0.61834E-05 3356 0.221E-02 0.640E-02 RMM: 6 -0.318407715317E+03 0.16015E-04 -0.19937E-05 2527 0.138E-02 9071 T= 5489. E= 0.67574408E+03 F= 0.63786127E+03 E0= 0.66623754E+03 EK= 0.44703E+02 SP= -.68E+01 SK= 0.13E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318728866856E+03 -0.32114E+00 -0.98259E-02 8944 0.219E+01 0.211E-01 RMM: 2 -0.318744075483E+03 -0.15209E-01 -0.84920E-02 5461 0.610E-01 0.109E+00 RMM: 3 -0.318735342304E+03 0.87332E-02 -0.81047E-03 5501 0.194E-01 0.212E-01 RMM: 4 -0.318735027772E+03 0.31453E-03 -0.77398E-04 4848 0.546E-02 0.891E-02 RMM: 5 -0.318734981750E+03 0.46022E-04 -0.71773E-05 3545 0.213E-02 0.730E-02 RMM: 6 -0.318734967111E+03 0.14640E-04 -0.17202E-05 2524 0.123E-02 9072 T= 5529. E= 0.67574345E+03 F= 0.63753402E+03 E0= 0.66591778E+03 EK= 0.45025E+02 SP= -.68E+01 SK= 0.32E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.319001808613E+03 -0.26683E+00 -0.10142E-01 8824 0.220E+01 0.357E-01 RMM: 2 -0.319038125528E+03 -0.36317E-01 -0.94793E-02 5348 0.686E-01 0.205E+00 RMM: 3 -0.319008591616E+03 0.29534E-01 -0.15524E-02 5373 0.303E-01 0.382E-01 RMM: 4 -0.319007528849E+03 0.10628E-02 -0.19228E-03 4721 0.922E-02 0.913E-02 RMM: 5 -0.319007490688E+03 0.38161E-04 -0.22252E-04 4266 0.311E-02 0.900E-02 RMM: 6 -0.319007449170E+03 0.41518E-04 -0.26145E-05 2621 0.157E-02 0.629E-02 RMM: 7 -0.319007465718E+03 -0.16548E-04 -0.34568E-05 2876 0.172E-02 9073 T= 5566. E= 0.67574473E+03 F= 0.63726152E+03 E0= 0.66565467E+03 EK= 0.45325E+02 SP= -.68E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319246729401E+03 -0.23928E+00 -0.10655E-01 8728 0.220E+01 0.338E-01 RMM: 2 -0.319279623138E+03 -0.32894E-01 -0.10081E-01 5398 0.676E-01 0.190E+00 RMM: 3 -0.319253837029E+03 0.25786E-01 -0.13762E-02 5377 0.278E-01 0.333E-01 RMM: 4 -0.319253152427E+03 0.68460E-03 -0.19330E-03 4733 0.942E-02 0.143E-01 RMM: 5 -0.319253200535E+03 -0.48107E-04 -0.29914E-04 3899 0.412E-02 0.172E-01 RMM: 6 -0.319253013312E+03 0.18722E-03 -0.10691E-04 3728 0.303E-02 0.463E-02 RMM: 7 -0.319253010502E+03 0.28105E-05 -0.22595E-05 2585 0.140E-02 9074 T= 5603. E= 0.67574740E+03 F= 0.63701598E+03 E0= 0.66542021E+03 EK= 0.45631E+02 SP= -.69E+01 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319509913572E+03 -0.25690E+00 -0.11599E-01 8856 0.220E+01 0.294E-01 RMM: 2 -0.319538594910E+03 -0.28681E-01 -0.11530E-01 5373 0.717E-01 0.166E+00 RMM: 3 -0.319518553321E+03 0.20042E-01 -0.12598E-02 5402 0.255E-01 0.293E-01 RMM: 4 -0.319517943703E+03 0.60962E-03 -0.14282E-03 4906 0.739E-02 0.921E-02 RMM: 5 -0.319517894296E+03 0.49407E-04 -0.15615E-04 3887 0.315E-02 0.873E-02 RMM: 6 -0.319517844761E+03 0.49536E-04 -0.34032E-05 2917 0.171E-02 0.559E-02 RMM: 7 -0.319517847083E+03 -0.23227E-05 -0.29103E-05 2619 0.160E-02 9075 T= 5647. E= 0.67575036E+03 F= 0.63675114E+03 E0= 0.66516735E+03 EK= 0.45986E+02 SP= -.70E+01 SK= 0.28E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319840661762E+03 -0.32282E+00 -0.12171E-01 8944 0.220E+01 0.226E-01 RMM: 2 -0.319859257765E+03 -0.18596E-01 -0.11727E-01 5285 0.715E-01 0.112E+00 RMM: 3 -0.319849870123E+03 0.93876E-02 -0.10577E-02 5550 0.220E-01 0.192E-01 RMM: 4 -0.319849610338E+03 0.25978E-03 -0.97954E-04 4942 0.610E-02 0.923E-02 RMM: 5 -0.319849573360E+03 0.36978E-04 -0.11388E-04 3759 0.273E-02 0.825E-02 RMM: 6 -0.319849533279E+03 0.40080E-04 -0.31343E-05 2894 0.170E-02 0.399E-02 RMM: 7 -0.319849538618E+03 -0.53389E-05 -0.18074E-05 2519 0.129E-02 9076 T= 5702. E= 0.67575214E+03 F= 0.63641945E+03 E0= 0.66485004E+03 EK= 0.46437E+02 SP= -.71E+01 SK= 0.45E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320267895228E+03 -0.41836E+00 -0.13590E-01 8632 0.221E+01 0.209E-01 RMM: 2 -0.320287400615E+03 -0.19505E-01 -0.14271E-01 5190 0.782E-01 0.985E-01 RMM: 3 -0.320279551333E+03 0.78493E-02 -0.12474E-02 5771 0.223E-01 0.207E-01 RMM: 4 -0.320279175911E+03 0.37542E-03 -0.91837E-04 4820 0.630E-02 0.101E-01 RMM: 5 -0.320279130854E+03 0.45057E-04 -0.13262E-04 3817 0.294E-02 0.846E-02 RMM: 6 -0.320279086514E+03 0.44340E-04 -0.37129E-05 3025 0.178E-02 0.448E-02 RMM: 7 -0.320279095735E+03 -0.92214E-05 -0.38827E-05 2739 0.176E-02 9077 T= 5773. E= 0.67575163E+03 F= 0.63598989E+03 E0= 0.66443645E+03 EK= 0.47011E+02 SP= -.73E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320796118069E+03 -0.51703E+00 -0.14057E-01 8880 0.222E+01 0.195E-01 RMM: 2 -0.320814116276E+03 -0.17998E-01 -0.14715E-01 5310 0.784E-01 0.824E-01 RMM: 3 -0.320808091118E+03 0.60252E-02 -0.11866E-02 5924 0.213E-01 0.161E-01 RMM: 4 -0.320807835364E+03 0.25575E-03 -0.81010E-04 4854 0.588E-02 0.109E-01 RMM: 5 -0.320807774238E+03 0.61126E-04 -0.10896E-04 3768 0.262E-02 0.756E-02 RMM: 6 -0.320807744469E+03 0.29769E-04 -0.27217E-05 2702 0.159E-02 0.451E-02 RMM: 7 -0.320807756089E+03 -0.11621E-04 -0.27817E-05 2611 0.155E-02 9078 T= 5859. E= 0.67574852E+03 F= 0.63546123E+03 E0= 0.66392661E+03 EK= 0.47708E+02 SP= -.75E+01 SK= 0.84E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321390233373E+03 -0.58249E+00 -0.14972E-01 8952 0.224E+01 0.177E-01 RMM: 2 -0.321409575115E+03 -0.19342E-01 -0.15777E-01 5546 0.795E-01 0.835E-01 RMM: 3 -0.321403301714E+03 0.62734E-02 -0.11045E-02 5795 0.206E-01 0.172E-01 RMM: 4 -0.321403032784E+03 0.26893E-03 -0.77553E-04 4742 0.589E-02 0.110E-01 RMM: 5 -0.321402960913E+03 0.71871E-04 -0.10682E-04 3745 0.267E-02 0.711E-02 RMM: 6 -0.321402940372E+03 0.20542E-04 -0.26333E-05 2666 0.154E-02 0.535E-02 RMM: 7 -0.321402947914E+03 -0.75419E-05 -0.36198E-05 2727 0.171E-02 9079 T= 5955. E= 0.67574351E+03 F= 0.63486604E+03 E0= 0.66335220E+03 EK= 0.48496E+02 SP= -.77E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321994084653E+03 -0.59114E+00 -0.16339E-01 9096 0.226E+01 0.176E-01 RMM: 2 -0.322012832860E+03 -0.18748E-01 -0.16663E-01 5516 0.828E-01 0.703E-01 RMM: 3 -0.322008165567E+03 0.46673E-02 -0.12377E-02 5900 0.211E-01 0.159E-01 RMM: 4 -0.322007895286E+03 0.27028E-03 -0.72192E-04 4760 0.570E-02 0.120E-01 RMM: 5 -0.322007815459E+03 0.79827E-04 -0.10404E-04 3737 0.265E-02 0.747E-02 RMM: 6 -0.322007793653E+03 0.21807E-04 -0.25935E-05 2621 0.153E-02 0.562E-02 RMM: 7 -0.322007798046E+03 -0.43938E-05 -0.41651E-05 2883 0.184E-02 9080 T= 6056. E= 0.67573819E+03 F= 0.63426119E+03 E0= 0.66277007E+03 EK= 0.49315E+02 SP= -.80E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322547549549E+03 -0.53976E+00 -0.17620E-01 9096 0.229E+01 0.170E-01 RMM: 2 -0.322567303327E+03 -0.19754E-01 -0.17404E-01 5745 0.842E-01 0.722E-01 RMM: 3 -0.322562501540E+03 0.48018E-02 -0.10799E-02 5823 0.203E-01 0.162E-01 RMM: 4 -0.322562263800E+03 0.23774E-03 -0.68858E-04 4738 0.563E-02 0.119E-01 RMM: 5 -0.322562182723E+03 0.81077E-04 -0.98394E-05 3693 0.264E-02 0.737E-02 RMM: 6 -0.322562169180E+03 0.13543E-04 -0.25511E-05 2612 0.150E-02 9081 T= 6153. E= 0.67573361E+03 F= 0.63370682E+03 E0= 0.66223972E+03 EK= 0.50104E+02 SP= -.82E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323005306482E+03 -0.44312E+00 -0.19120E-01 9000 0.231E+01 0.241E-01 RMM: 2 -0.323037183724E+03 -0.31877E-01 -0.19319E-01 5654 0.891E-01 0.143E+00 RMM: 3 -0.323021842776E+03 0.15341E-01 -0.14611E-02 5502 0.257E-01 0.212E-01 RMM: 4 -0.323021505230E+03 0.33755E-03 -0.12825E-03 5176 0.676E-02 0.111E-01 RMM: 5 -0.323021451246E+03 0.53985E-04 -0.11569E-04 4066 0.269E-02 0.886E-02 RMM: 6 -0.323021440612E+03 0.10634E-04 -0.28125E-05 2614 0.157E-02 9082 T= 6240. E= 0.67573068E+03 F= 0.63324755E+03 E0= 0.66180664E+03 EK= 0.50815E+02 SP= -.85E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323356108529E+03 -0.33466E+00 -0.19940E-01 8936 0.234E+01 0.433E-01 RMM: 2 -0.323413387358E+03 -0.57279E-01 -0.20484E-01 5292 0.955E-01 0.241E+00 RMM: 3 -0.323372758342E+03 0.40629E-01 -0.25514E-02 5381 0.372E-01 0.481E-01 RMM: 4 -0.323371080735E+03 0.16776E-02 -0.32446E-03 5291 0.116E-01 0.122E-01 RMM: 5 -0.323371051267E+03 0.29468E-04 -0.41559E-04 4787 0.354E-02 0.115E-01 RMM: 6 -0.323370994167E+03 0.57099E-04 -0.40689E-05 3013 0.189E-02 0.775E-02 RMM: 7 -0.323371030351E+03 -0.36183E-04 -0.47250E-05 3192 0.187E-02 0.103E-01 RMM: 8 -0.323371022622E+03 0.77285E-05 -0.13842E-04 3890 0.261E-02 9083 T= 6316. E= 0.67573011E+03 F= 0.63289797E+03 E0= 0.66148515E+03 EK= 0.51433E+02 SP= -.88E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323618767919E+03 -0.24774E+00 -0.20064E-01 8912 0.235E+01 0.367E-01 RMM: 2 -0.323660583506E+03 -0.41816E-01 -0.19495E-01 5730 0.896E-01 0.192E+00 RMM: 3 -0.323634742903E+03 0.25841E-01 -0.17794E-02 5376 0.317E-01 0.381E-01 RMM: 4 -0.323633811931E+03 0.93097E-03 -0.23449E-03 5106 0.100E-01 0.157E-01 RMM: 5 -0.323633816869E+03 -0.49378E-05 -0.34545E-04 3942 0.444E-02 0.155E-01 RMM: 6 -0.323633676127E+03 0.14074E-03 -0.11053E-04 3778 0.296E-02 0.598E-02 RMM: 7 -0.323633690631E+03 -0.14503E-04 -0.29925E-05 2748 0.158E-02 9084 T= 6383. E= 0.67573191E+03 F= 0.63263530E+03 E0= 0.66125105E+03 EK= 0.51976E+02 SP= -.90E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323846970166E+03 -0.21329E+00 -0.20364E-01 8952 0.237E+01 0.256E-01 RMM: 2 -0.323875117286E+03 -0.28147E-01 -0.19947E-01 5634 0.932E-01 0.122E+00 RMM: 3 -0.323864146584E+03 0.10971E-01 -0.15361E-02 5503 0.268E-01 0.247E-01 RMM: 4 -0.323863699254E+03 0.44733E-03 -0.13935E-03 5315 0.690E-02 0.101E-01 RMM: 5 -0.323863646906E+03 0.52348E-04 -0.12429E-04 3868 0.293E-02 0.878E-02 RMM: 6 -0.323863618662E+03 0.28245E-04 -0.28320E-05 2657 0.158E-02 0.662E-02 RMM: 7 -0.323863648405E+03 -0.29743E-04 -0.44527E-05 3095 0.190E-02 0.965E-02 RMM: 8 -0.323863607897E+03 0.40508E-04 -0.90603E-05 3871 0.221E-02 0.544E-02 RMM: 9 -0.323863591541E+03 0.16356E-04 -0.22967E-05 2618 0.131E-02 9085 T= 6446. E= 0.67573519E+03 F= 0.63240540E+03 E0= 0.66105178E+03 EK= 0.52494E+02 SP= -.93E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324116325694E+03 -0.25272E+00 -0.19924E-01 8904 0.238E+01 0.254E-01 RMM: 2 -0.324144744050E+03 -0.28418E-01 -0.20222E-01 5482 0.945E-01 0.120E+00 RMM: 3 -0.324133646035E+03 0.11098E-01 -0.15512E-02 5526 0.267E-01 0.234E-01 RMM: 4 -0.324133246414E+03 0.39962E-03 -0.13356E-03 4875 0.756E-02 0.134E-01 RMM: 5 -0.324133168588E+03 0.77826E-04 -0.17869E-04 3936 0.341E-02 0.954E-02 RMM: 6 -0.324133112698E+03 0.55891E-04 -0.43178E-05 3057 0.193E-02 0.497E-02 RMM: 7 -0.324133118476E+03 -0.57782E-05 -0.24749E-05 2576 0.152E-02 9086 T= 6515. E= 0.67573888E+03 F= 0.63213587E+03 E0= 0.66081478E+03 EK= 0.53058E+02 SP= -.96E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324499778065E+03 -0.36667E+00 -0.18377E-01 8944 0.239E+01 0.223E-01 RMM: 2 -0.324526168795E+03 -0.26391E-01 -0.20012E-01 5488 0.947E-01 0.108E+00 RMM: 3 -0.324517048417E+03 0.91204E-02 -0.16154E-02 5613 0.260E-01 0.216E-01 RMM: 4 -0.324516660710E+03 0.38771E-03 -0.11994E-03 5434 0.657E-02 0.110E-01 RMM: 5 -0.324516607815E+03 0.52895E-04 -0.10898E-04 3791 0.282E-02 0.914E-02 RMM: 6 -0.324516587924E+03 0.19890E-04 -0.30063E-05 2659 0.166E-02 9087 T= 6599. E= 0.67574149E+03 F= 0.63175240E+03 E0= 0.66046492E+03 EK= 0.53738E+02 SP= -.99E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325051048939E+03 -0.53444E+00 -0.17487E-01 8496 0.241E+01 0.373E-01 RMM: 2 -0.325096616803E+03 -0.45568E-01 -0.23267E-01 4944 0.107E+00 0.193E+00 RMM: 3 -0.325070276192E+03 0.26341E-01 -0.26628E-02 5424 0.367E-01 0.337E-01 RMM: 4 -0.325069514000E+03 0.76219E-03 -0.29970E-03 5880 0.958E-02 0.121E-01 RMM: 5 -0.325069424467E+03 0.89533E-04 -0.21318E-04 4016 0.335E-02 0.105E-01 RMM: 6 -0.325069381905E+03 0.42562E-04 -0.43782E-05 3088 0.192E-02 0.765E-02 RMM: 7 -0.325069422463E+03 -0.40558E-04 -0.57407E-05 3367 0.207E-02 0.107E-01 RMM: 8 -0.325069387043E+03 0.35420E-04 -0.10400E-04 3891 0.241E-02 0.726E-02 RMM: 9 -0.325069356343E+03 0.30701E-04 -0.29856E-05 2740 0.155E-02 0.245E-02 RMM: 10 -0.325069361604E+03 -0.52615E-05 -0.13346E-05 2480 0.113E-02 9088 T= 6703. E= 0.67574145E+03 F= 0.63119963E+03 E0= 0.65994731E+03 EK= 0.54584E+02 SP= -.10E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325788697481E+03 -0.71934E+00 -0.15719E-01 8392 0.243E+01 0.367E-01 RMM: 2 -0.325828233913E+03 -0.39536E-01 -0.18967E-01 5016 0.954E-01 0.184E+00 RMM: 3 -0.325804149717E+03 0.24084E-01 -0.20940E-02 5439 0.323E-01 0.372E-01 RMM: 4 -0.325803233735E+03 0.91598E-03 -0.26562E-03 5247 0.110E-01 0.180E-01 RMM: 5 -0.325803158604E+03 0.75131E-04 -0.40540E-04 4030 0.481E-02 0.153E-01 RMM: 6 -0.325803001730E+03 0.15687E-03 -0.11383E-04 3821 0.290E-02 0.476E-02 RMM: 7 -0.325803011084E+03 -0.93539E-05 -0.28978E-05 2709 0.152E-02 9089 T= 6828. E= 0.67573726E+03 F= 0.63046598E+03 E0= 0.65925004E+03 EK= 0.55604E+02 SP= -.10E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326653538566E+03 -0.85054E+00 -0.15542E-01 8576 0.245E+01 0.229E-01 RMM: 2 -0.326675693282E+03 -0.22155E-01 -0.16439E-01 5233 0.866E-01 0.104E+00 RMM: 3 -0.326667003971E+03 0.86893E-02 -0.14862E-02 5796 0.246E-01 0.186E-01 RMM: 4 -0.326666691551E+03 0.31242E-03 -0.10340E-03 5060 0.641E-02 0.114E-01 RMM: 5 -0.326666615463E+03 0.76088E-04 -0.12087E-04 3890 0.285E-02 0.882E-02 RMM: 6 -0.326666587813E+03 0.27651E-04 -0.33946E-05 2751 0.174E-02 0.691E-02 RMM: 7 -0.326666600321E+03 -0.12509E-04 -0.70994E-05 3577 0.217E-02 9090 T= 6968. E= 0.67572976E+03 F= 0.62960239E+03 E0= 0.65842408E+03 EK= 0.56743E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327545392572E+03 -0.87880E+00 -0.16688E-01 8736 0.248E+01 0.258E-01 RMM: 2 -0.327573824800E+03 -0.28432E-01 -0.18689E-01 5073 0.948E-01 0.131E+00 RMM: 3 -0.327561005285E+03 0.12820E-01 -0.18667E-02 5799 0.270E-01 0.212E-01 RMM: 4 -0.327560609949E+03 0.39534E-03 -0.13519E-03 4814 0.806E-02 0.157E-01 RMM: 5 -0.327560467487E+03 0.14246E-03 -0.21363E-04 3890 0.377E-02 0.887E-02 RMM: 6 -0.327560428733E+03 0.38754E-04 -0.43651E-05 3068 0.191E-02 0.558E-02 RMM: 7 -0.327560430002E+03 -0.12691E-05 -0.32358E-05 2635 0.172E-02 9091 T= 7110. E= 0.67572163E+03 F= 0.62870856E+03 E0= 0.65757023E+03 EK= 0.57898E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328355842148E+03 -0.79541E+00 -0.17520E-01 8992 0.251E+01 0.240E-01 RMM: 2 -0.328381506468E+03 -0.25664E-01 -0.20407E-01 5195 0.979E-01 0.102E+00 RMM: 3 -0.328373049214E+03 0.84573E-02 -0.18612E-02 5859 0.266E-01 0.220E-01 RMM: 4 -0.328372620301E+03 0.42891E-03 -0.12010E-03 4920 0.742E-02 0.157E-01 RMM: 5 -0.328372459862E+03 0.16044E-03 -0.18974E-04 3905 0.354E-02 0.102E-01 RMM: 6 -0.328372417359E+03 0.42504E-04 -0.49725E-05 3184 0.202E-02 0.735E-02 RMM: 7 -0.328372399709E+03 0.17650E-04 -0.66978E-05 3527 0.220E-02 9092 T= 7239. E= 0.67571561E+03 F= 0.62789659E+03 E0= 0.65680051E+03 EK= 0.58953E+02 SP= -.11E+02 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328997783270E+03 -0.62537E+00 -0.19353E-01 8752 0.253E+01 0.237E-01 RMM: 2 -0.329026582831E+03 -0.28800E-01 -0.22820E-01 5121 0.105E+00 0.107E+00 RMM: 3 -0.329017449687E+03 0.91331E-02 -0.21429E-02 6034 0.276E-01 0.226E-01 RMM: 4 -0.329016852589E+03 0.59710E-03 -0.12164E-03 4894 0.807E-02 0.153E-01 RMM: 5 -0.329016715340E+03 0.13725E-03 -0.19868E-04 3902 0.368E-02 0.952E-02 RMM: 6 -0.329016688281E+03 0.27059E-04 -0.46374E-05 3124 0.195E-02 0.782E-02 RMM: 7 -0.329016692971E+03 -0.46894E-05 -0.68078E-05 3546 0.219E-02 9093 T= 7345. E= 0.67571259E+03 F= 0.62725230E+03 E0= 0.65620160E+03 EK= 0.59815E+02 SP= -.11E+02 SK= 0.66E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329436097372E+03 -0.41941E+00 -0.18826E-01 8896 0.254E+01 0.230E-01 RMM: 2 -0.329462442185E+03 -0.26345E-01 -0.20709E-01 5293 0.954E-01 0.103E+00 RMM: 3 -0.329453446440E+03 0.89957E-02 -0.17607E-02 5834 0.255E-01 0.201E-01 RMM: 4 -0.329453108174E+03 0.33827E-03 -0.11407E-03 4849 0.740E-02 0.164E-01 RMM: 5 -0.329452932088E+03 0.17609E-03 -0.19314E-04 3894 0.351E-02 0.929E-02 RMM: 6 -0.329452900904E+03 0.31184E-04 -0.48319E-05 3165 0.199E-02 0.687E-02 RMM: 7 -0.329452904017E+03 -0.31129E-05 -0.48853E-05 2945 0.190E-02 9094 T= 7422. E= 0.67571262E+03 F= 0.62681609E+03 E0= 0.65581324E+03 EK= 0.60439E+02 SP= -.12E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329672602156E+03 -0.21970E+00 -0.18069E-01 8904 0.254E+01 0.206E-01 RMM: 2 -0.329696258359E+03 -0.23656E-01 -0.19477E-01 5360 0.895E-01 0.909E-01 RMM: 3 -0.329688655038E+03 0.76033E-02 -0.14680E-02 5873 0.238E-01 0.177E-01 RMM: 4 -0.329688361913E+03 0.29313E-03 -0.91132E-04 4873 0.635E-02 0.136E-01 RMM: 5 -0.329688249244E+03 0.11267E-03 -0.13168E-04 3813 0.307E-02 0.859E-02 RMM: 6 -0.329688224262E+03 0.24982E-04 -0.46205E-05 3134 0.193E-02 0.716E-02 RMM: 7 -0.329688236027E+03 -0.11765E-04 -0.99355E-05 3877 0.245E-02 9095 T= 7469. E= 0.67571405E+03 F= 0.62658075E+03 E0= 0.65562701E+03 EK= 0.60824E+02 SP= -.12E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329745595342E+03 -0.57371E-01 -0.18387E-01 8728 0.253E+01 0.222E-01 RMM: 2 -0.329770662888E+03 -0.25068E-01 -0.19768E-01 5423 0.903E-01 0.994E-01 RMM: 3 -0.329761761770E+03 0.89011E-02 -0.14518E-02 5800 0.239E-01 0.195E-01 RMM: 4 -0.329761445459E+03 0.31631E-03 -0.98677E-04 4817 0.679E-02 0.137E-01 RMM: 5 -0.329761346893E+03 0.98566E-04 -0.14473E-04 3855 0.308E-02 0.914E-02 RMM: 6 -0.329761304165E+03 0.42728E-04 -0.43109E-05 3094 0.194E-02 0.516E-02 RMM: 7 -0.329761333883E+03 -0.29718E-04 -0.55852E-05 3259 0.198E-02 0.894E-02 RMM: 8 -0.329761288159E+03 0.45724E-04 -0.50811E-05 3103 0.193E-02 0.329E-02 RMM: 9 -0.329761284641E+03 0.35174E-05 -0.15132E-05 2479 0.111E-02 9096 T= 7491. E= 0.67571692E+03 F= 0.62650770E+03 E0= 0.65560290E+03 EK= 0.61006E+02 SP= -.12E+02 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329711902555E+03 0.49386E-01 -0.18800E-01 8752 0.252E+01 0.193E-01 RMM: 2 -0.329733431001E+03 -0.21528E-01 -0.19227E-01 5517 0.873E-01 0.716E-01 RMM: 3 -0.329727334661E+03 0.60963E-02 -0.12375E-02 5790 0.229E-01 0.163E-01 RMM: 4 -0.329727180967E+03 0.15369E-03 -0.88896E-04 4814 0.649E-02 0.146E-01 RMM: 5 -0.329727029827E+03 0.15114E-03 -0.14007E-04 3842 0.306E-02 0.766E-02 RMM: 6 -0.329727001236E+03 0.28591E-04 -0.36102E-05 2926 0.180E-02 0.502E-02 RMM: 7 -0.329727013067E+03 -0.11831E-04 -0.58305E-05 3245 0.201E-02 9097 T= 7495. E= 0.67572061E+03 F= 0.62654198E+03 E0= 0.65568239E+03 EK= 0.61039E+02 SP= -.12E+02 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329625299310E+03 0.10170E+00 -0.19110E-01 8552 0.252E+01 0.209E-01 RMM: 2 -0.329648692616E+03 -0.23393E-01 -0.19706E-01 5429 0.917E-01 0.862E-01 RMM: 3 -0.329641579514E+03 0.71131E-02 -0.13982E-02 6069 0.233E-01 0.198E-01 RMM: 4 -0.329641225750E+03 0.35376E-03 -0.84819E-04 4767 0.651E-02 0.121E-01 RMM: 5 -0.329641141527E+03 0.84223E-04 -0.11649E-04 3756 0.285E-02 0.781E-02 RMM: 6 -0.329641122236E+03 0.19291E-04 -0.33302E-05 2833 0.175E-02 9098 T= 7488. E= 0.67572301E+03 F= 0.62662787E+03 E0= 0.65580752E+03 EK= 0.60974E+02 SP= -.12E+02 SK= 0.12E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.329521204278E+03 0.11994E+00 -0.19449E-01 8512 0.252E+01 0.325E-01 RMM: 2 -0.329560770620E+03 -0.39566E-01 -0.21146E-01 5158 0.968E-01 0.175E+00 RMM: 3 -0.329538373438E+03 0.22397E-01 -0.20558E-02 5462 0.317E-01 0.321E-01 RMM: 4 -0.329537610648E+03 0.76279E-03 -0.19964E-03 5094 0.896E-02 0.119E-01 RMM: 5 -0.329537568455E+03 0.42193E-04 -0.22766E-04 4038 0.352E-02 0.112E-01 RMM: 6 -0.329537501358E+03 0.67097E-04 -0.49181E-05 3142 0.204E-02 0.664E-02 RMM: 7 -0.329537531712E+03 -0.30354E-04 -0.55505E-05 3329 0.210E-02 0.968E-02 RMM: 8 -0.329537496499E+03 0.35212E-04 -0.10897E-04 3906 0.219E-02 0.678E-02 RMM: 9 -0.329537467726E+03 0.28774E-04 -0.23703E-05 2621 0.141E-02 0.192E-02 RMM: 10 -0.329537471985E+03 -0.42595E-05 -0.87230E-06 2457 0.903E-03 9099 T= 7472. E= 0.67572369E+03 F= 0.62673152E+03 E0= 0.65594241E+03 EK= 0.60847E+02 SP= -.12E+02 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329406379580E+03 0.13109E+00 -0.19480E-01 8584 0.252E+01 0.339E-01 RMM: 2 -0.329443378714E+03 -0.36999E-01 -0.19821E-01 5130 0.944E-01 0.170E+00 RMM: 3 -0.329422372506E+03 0.21006E-01 -0.18953E-02 5432 0.312E-01 0.345E-01 RMM: 4 -0.329421589514E+03 0.78299E-03 -0.22125E-03 5188 0.100E-01 0.147E-01 RMM: 5 -0.329421560868E+03 0.28646E-04 -0.29450E-04 3946 0.388E-02 0.145E-01 RMM: 6 -0.329421425703E+03 0.13516E-03 -0.78842E-05 3530 0.253E-02 0.447E-02 RMM: 7 -0.329421431462E+03 -0.57592E-05 -0.26342E-05 2618 0.149E-02 9100 T= 7449. E= 0.67572240E+03 F= 0.62684756E+03 E0= 0.65608043E+03 EK= 0.60662E+02 SP= -.12E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329258241618E+03 0.16318E+00 -0.19978E-01 8712 0.252E+01 0.237E-01 RMM: 2 -0.329285243932E+03 -0.27002E-01 -0.18128E-01 5495 0.892E-01 0.124E+00 RMM: 3 -0.329273391792E+03 0.11852E-01 -0.13471E-02 5526 0.252E-01 0.215E-01 RMM: 4 -0.329273087943E+03 0.30385E-03 -0.11272E-03 4884 0.687E-02 0.119E-01 RMM: 5 -0.329273028826E+03 0.59117E-04 -0.14147E-04 3941 0.310E-02 0.935E-02 RMM: 6 -0.329272993286E+03 0.35540E-04 -0.39162E-05 2989 0.185E-02 0.659E-02 RMM: 7 -0.329273037661E+03 -0.44375E-04 -0.61984E-05 3419 0.215E-02 0.107E-01 RMM: 8 -0.329272976288E+03 0.61373E-04 -0.87213E-05 3845 0.231E-02 0.437E-02 RMM: 9 -0.329272968082E+03 0.82057E-05 -0.19099E-05 2582 0.126E-02 9101 T= 7417. E= 0.67572049E+03 F= 0.62699602E+03 E0= 0.65624185E+03 EK= 0.60403E+02 SP= -.12E+02 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329044431572E+03 0.22854E+00 -0.21223E-01 8736 0.252E+01 0.219E-01 RMM: 2 -0.329068645187E+03 -0.24214E-01 -0.18910E-01 5339 0.917E-01 0.101E+00 RMM: 3 -0.329060287829E+03 0.83574E-02 -0.13968E-02 5737 0.247E-01 0.182E-01 RMM: 4 -0.329060124687E+03 0.16314E-03 -0.10664E-03 4778 0.735E-02 0.177E-01 RMM: 5 -0.329059934807E+03 0.18988E-03 -0.17876E-04 3898 0.344E-02 0.904E-02 RMM: 6 -0.329059886964E+03 0.47844E-04 -0.42940E-05 3049 0.197E-02 0.441E-02 RMM: 7 -0.329059889054E+03 -0.20907E-05 -0.23801E-05 2543 0.149E-02 9102 T= 7373. E= 0.67571788E+03 F= 0.62720910E+03 E0= 0.65645869E+03 EK= 0.60040E+02 SP= -.12E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328731583983E+03 0.32830E+00 -0.21723E-01 8888 0.252E+01 0.184E-01 RMM: 2 -0.328753466426E+03 -0.21882E-01 -0.18704E-01 5565 0.905E-01 0.818E-01 RMM: 3 -0.328747651130E+03 0.58153E-02 -0.13249E-02 5888 0.231E-01 0.182E-01 RMM: 4 -0.328747320990E+03 0.33014E-03 -0.72964E-04 4891 0.588E-02 0.104E-01 RMM: 5 -0.328747262231E+03 0.58759E-04 -0.92043E-05 3791 0.262E-02 0.819E-02 RMM: 6 -0.328747251667E+03 0.10564E-04 -0.28908E-05 2584 0.161E-02 9103 T= 7312. E= 0.67571624E+03 F= 0.62752174E+03 E0= 0.65676725E+03 EK= 0.59541E+02 SP= -.11E+02 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328295473123E+03 0.45179E+00 -0.23231E-01 8904 0.251E+01 0.332E-01 RMM: 2 -0.328337861230E+03 -0.42388E-01 -0.21345E-01 5086 0.998E-01 0.186E+00 RMM: 3 -0.328313033960E+03 0.24827E-01 -0.20972E-02 5437 0.327E-01 0.288E-01 RMM: 4 -0.328312471416E+03 0.56254E-03 -0.22387E-03 5296 0.870E-02 0.120E-01 RMM: 5 -0.328312381412E+03 0.90004E-04 -0.18599E-04 4109 0.342E-02 0.101E-01 RMM: 6 -0.328312338895E+03 0.42517E-04 -0.37626E-05 2855 0.179E-02 0.745E-02 RMM: 7 -0.328312368540E+03 -0.29646E-04 -0.62612E-05 3405 0.222E-02 0.103E-01 RMM: 8 -0.328312320448E+03 0.48092E-04 -0.13998E-04 3894 0.236E-02 0.671E-02 RMM: 9 -0.328312294478E+03 0.25970E-04 -0.31166E-05 2748 0.155E-02 0.240E-02 RMM: 10 -0.328312300904E+03 -0.64252E-05 -0.11354E-05 2473 0.106E-02 9104 T= 7231. E= 0.67571641E+03 F= 0.62795669E+03 E0= 0.65719204E+03 EK= 0.58889E+02 SP= -.11E+02 SK= 0.87E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327739283457E+03 0.57301E+00 -0.22340E-01 8896 0.250E+01 0.347E-01 RMM: 2 -0.327776436907E+03 -0.37153E-01 -0.20900E-01 5198 0.953E-01 0.165E+00 RMM: 3 -0.327756230421E+03 0.20206E-01 -0.18912E-02 5403 0.311E-01 0.374E-01 RMM: 4 -0.327755324896E+03 0.90552E-03 -0.23316E-03 5184 0.103E-01 0.159E-01 RMM: 5 -0.327755271487E+03 0.53410E-04 -0.32334E-04 3916 0.423E-02 0.150E-01 RMM: 6 -0.327755130134E+03 0.14135E-03 -0.89156E-05 3631 0.261E-02 0.568E-02 RMM: 7 -0.327755146522E+03 -0.16388E-04 -0.43746E-05 3093 0.181E-02 9105 T= 7133. E= 0.67571853E+03 F= 0.62851384E+03 E0= 0.65773314E+03 EK= 0.58088E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327082151583E+03 0.67298E+00 -0.21222E-01 8872 0.247E+01 0.254E-01 RMM: 2 -0.327111987980E+03 -0.29836E-01 -0.19332E-01 5367 0.911E-01 0.134E+00 RMM: 3 -0.327098200117E+03 0.13788E-01 -0.15157E-02 5540 0.266E-01 0.226E-01 RMM: 4 -0.327097830134E+03 0.36998E-03 -0.13310E-03 5150 0.704E-02 0.110E-01 RMM: 5 -0.327097761573E+03 0.68561E-04 -0.12408E-04 3841 0.294E-02 0.877E-02 RMM: 6 -0.327097731590E+03 0.29983E-04 -0.30585E-05 2670 0.162E-02 0.716E-02 RMM: 7 -0.327097765623E+03 -0.34032E-04 -0.67966E-05 3453 0.216E-02 0.111E-01 RMM: 8 -0.327097689466E+03 0.76157E-04 -0.11657E-04 3883 0.244E-02 0.447E-02 RMM: 9 -0.327097680874E+03 0.85913E-05 -0.23206E-05 2624 0.130E-02 9106 T= 7020. E= 0.67572091E+03 F= 0.62917131E+03 E0= 0.65836951E+03 EK= 0.57165E+02 SP= -.11E+02 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326350350939E+03 0.74734E+00 -0.20457E-01 8920 0.245E+01 0.227E-01 RMM: 2 -0.326379174567E+03 -0.28824E-01 -0.20783E-01 5206 0.942E-01 0.119E+00 RMM: 3 -0.326367707218E+03 0.11467E-01 -0.16446E-02 5750 0.255E-01 0.194E-01 RMM: 4 -0.326367379023E+03 0.32820E-03 -0.12261E-03 4832 0.775E-02 0.156E-01 RMM: 5 -0.326367218805E+03 0.16022E-03 -0.17907E-04 3896 0.329E-02 0.888E-02 RMM: 6 -0.326367172916E+03 0.45889E-04 -0.41067E-05 3039 0.189E-02 0.523E-02 RMM: 7 -0.326367171889E+03 0.10263E-05 -0.38101E-05 2697 0.176E-02 9107 T= 6895. E= 0.67572303E+03 F= 0.62990182E+03 E0= 0.65907501E+03 EK= 0.56151E+02 SP= -.10E+02 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325565819025E+03 0.80135E+00 -0.18969E-01 8672 0.242E+01 0.190E-01 RMM: 2 -0.325590720771E+03 -0.24902E-01 -0.19374E-01 5474 0.897E-01 0.988E-01 RMM: 3 -0.325582352715E+03 0.83681E-02 -0.13625E-02 5684 0.234E-01 0.199E-01 RMM: 4 -0.325581983638E+03 0.36908E-03 -0.91690E-04 5057 0.619E-02 0.973E-02 RMM: 5 -0.325581930597E+03 0.53041E-04 -0.92746E-05 3887 0.248E-02 0.862E-02 RMM: 6 -0.325581908162E+03 0.22435E-04 -0.26093E-05 2583 0.155E-02 0.747E-02 RMM: 7 -0.325581917404E+03 -0.92420E-05 -0.14833E-04 3913 0.275E-02 9108 T= 6763. E= 0.67572344E+03 F= 0.63068707E+03 E0= 0.65983168E+03 EK= 0.55071E+02 SP= -.10E+02 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324726508425E+03 0.85540E+00 -0.18797E-01 8712 0.240E+01 0.187E-01 RMM: 2 -0.324749111337E+03 -0.22603E-01 -0.19995E-01 5371 0.901E-01 0.751E-01 RMM: 3 -0.324743389853E+03 0.57215E-02 -0.14240E-02 5967 0.226E-01 0.170E-01 RMM: 4 -0.324743130662E+03 0.25919E-03 -0.88661E-04 4815 0.683E-02 0.156E-01 RMM: 5 -0.324742969942E+03 0.16072E-03 -0.13999E-04 3836 0.309E-02 0.761E-02 RMM: 6 -0.324742944254E+03 0.25688E-04 -0.29908E-05 2772 0.166E-02 0.509E-02 RMM: 7 -0.324742952015E+03 -0.77610E-05 -0.39444E-05 2796 0.175E-02 9109 T= 6623. E= 0.67572391E+03 F= 0.63152604E+03 E0= 0.66063989E+03 EK= 0.53932E+02 SP= -.99E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323833491973E+03 0.90945E+00 -0.19444E-01 8920 0.237E+01 0.177E-01 RMM: 2 -0.323854529021E+03 -0.21037E-01 -0.18531E-01 5655 0.836E-01 0.723E-01 RMM: 3 -0.323849009272E+03 0.55197E-02 -0.11565E-02 5830 0.210E-01 0.157E-01 RMM: 4 -0.323848766246E+03 0.24303E-03 -0.72249E-04 4904 0.542E-02 0.111E-01 RMM: 5 -0.323848687178E+03 0.79067E-04 -0.76567E-05 3524 0.238E-02 0.781E-02 RMM: 6 -0.323848673045E+03 0.14133E-04 -0.27145E-05 2597 0.157E-02 9110 T= 6476. E= 0.67572561E+03 F= 0.63242032E+03 E0= 0.66150141E+03 EK= 0.52741E+02 SP= -.96E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322897183147E+03 0.95150E+00 -0.20728E-01 8840 0.234E+01 0.334E-01 RMM: 2 -0.322940261132E+03 -0.43078E-01 -0.20636E-01 5406 0.906E-01 0.189E+00 RMM: 3 -0.322914030272E+03 0.26231E-01 -0.18617E-02 5419 0.302E-01 0.316E-01 RMM: 4 -0.322913301198E+03 0.72907E-03 -0.19866E-03 5061 0.858E-02 0.123E-01 RMM: 5 -0.322913228176E+03 0.73022E-04 -0.19478E-04 4038 0.321E-02 0.102E-01 RMM: 6 -0.322913179882E+03 0.48295E-04 -0.33911E-05 2836 0.169E-02 0.801E-02 RMM: 7 -0.322913207219E+03 -0.27337E-04 -0.65700E-05 3454 0.225E-02 0.108E-01 RMM: 8 -0.322913147942E+03 0.59277E-04 -0.16278E-04 3903 0.260E-02 0.668E-02 RMM: 9 -0.322913122239E+03 0.25703E-04 -0.31576E-05 2696 0.150E-02 0.247E-02 RMM: 10 -0.322913129781E+03 -0.75420E-05 -0.12689E-05 2485 0.109E-02 9111 T= 6326. E= 0.67572947E+03 F= 0.63335586E+03 E0= 0.66240259E+03 EK= 0.51518E+02 SP= -.93E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321963079649E+03 0.95004E+00 -0.22175E-01 9032 0.231E+01 0.341E-01 RMM: 2 -0.322004030964E+03 -0.40951E-01 -0.21181E-01 5627 0.884E-01 0.179E+00 RMM: 3 -0.321979926045E+03 0.24105E-01 -0.15829E-02 5385 0.284E-01 0.310E-01 RMM: 4 -0.321979393879E+03 0.53217E-03 -0.21061E-03 4955 0.972E-02 0.186E-01 RMM: 5 -0.321979328082E+03 0.65798E-04 -0.31543E-04 3897 0.431E-02 0.173E-01 RMM: 6 -0.321979129121E+03 0.19896E-03 -0.11445E-04 3838 0.304E-02 0.476E-02 RMM: 7 -0.321979147815E+03 -0.18694E-04 -0.39874E-05 3045 0.174E-02 9112 T= 6178. E= 0.67573495E+03 F= 0.63428984E+03 E0= 0.66330174E+03 EK= 0.50311E+02 SP= -.90E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321092234892E+03 0.88689E+00 -0.24334E-01 8928 0.227E+01 0.262E-01 RMM: 2 -0.321123678551E+03 -0.31444E-01 -0.20566E-01 6042 0.852E-01 0.134E+00 RMM: 3 -0.321109391891E+03 0.14287E-01 -0.11233E-02 5429 0.233E-01 0.267E-01 RMM: 4 -0.321108909617E+03 0.48227E-03 -0.12587E-03 4813 0.715E-02 0.114E-01 RMM: 5 -0.321108856585E+03 0.53032E-04 -0.14898E-04 4031 0.285E-02 0.992E-02 RMM: 6 -0.321108814389E+03 0.42196E-04 -0.31998E-05 2868 0.172E-02 0.724E-02 RMM: 7 -0.321108848155E+03 -0.33766E-04 -0.61159E-05 3386 0.211E-02 0.105E-01 RMM: 8 -0.321108791592E+03 0.56563E-04 -0.98549E-05 3869 0.231E-02 0.558E-02 RMM: 9 -0.321108776440E+03 0.15152E-04 -0.25273E-05 2653 0.138E-02 9113 T= 6040. E= 0.67573971E+03 F= 0.63516021E+03 E0= 0.66413664E+03 EK= 0.49186E+02 SP= -.88E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320338377007E+03 0.77041E+00 -0.27231E-01 8816 0.224E+01 0.236E-01 RMM: 2 -0.320367316547E+03 -0.28940E-01 -0.22104E-01 6054 0.869E-01 0.109E+00 RMM: 3 -0.320356882962E+03 0.10434E-01 -0.11115E-02 5519 0.224E-01 0.182E-01 RMM: 4 -0.320356810035E+03 0.72928E-04 -0.10921E-03 4749 0.706E-02 0.192E-01 RMM: 5 -0.320356568079E+03 0.24196E-03 -0.17728E-04 3894 0.333E-02 0.864E-02 RMM: 6 -0.320356526769E+03 0.41309E-04 -0.39062E-05 3017 0.189E-02 0.439E-02 RMM: 7 -0.320356533583E+03 -0.68135E-05 -0.28414E-05 2638 0.156E-02 9114 T= 5919. E= 0.67574210E+03 F= 0.63591246E+03 E0= 0.66485281E+03 EK= 0.48198E+02 SP= -.85E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319725216648E+03 0.63131E+00 -0.29509E-01 8848 0.221E+01 0.204E-01 RMM: 2 -0.319753259100E+03 -0.28042E-01 -0.23231E-01 6129 0.882E-01 0.926E-01 RMM: 3 -0.319744912672E+03 0.83464E-02 -0.11968E-02 5632 0.217E-01 0.184E-01 RMM: 4 -0.319744626306E+03 0.28637E-03 -0.90966E-04 4904 0.608E-02 0.116E-01 RMM: 5 -0.319744564496E+03 0.61810E-04 -0.11087E-04 3870 0.263E-02 0.854E-02 RMM: 6 -0.319744534154E+03 0.30342E-04 -0.29241E-05 2775 0.163E-02 0.631E-02 RMM: 7 -0.319744571292E+03 -0.37138E-04 -0.78844E-05 3640 0.225E-02 0.994E-02 RMM: 8 -0.319744510840E+03 0.60452E-04 -0.60194E-05 3370 0.212E-02 0.299E-02 RMM: 9 -0.319744509574E+03 0.12664E-05 -0.13306E-05 2490 0.103E-02 9115 T= 5817. E= 0.67574096E+03 F= 0.63652448E+03 E0= 0.66542824E+03 EK= 0.47371E+02 SP= -.83E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319230079324E+03 0.51443E+00 -0.33469E-01 8952 0.220E+01 0.209E-01 RMM: 2 -0.319258634296E+03 -0.28555E-01 -0.25909E-01 5867 0.952E-01 0.735E-01 RMM: 3 -0.319252258795E+03 0.63755E-02 -0.14561E-02 5865 0.222E-01 0.161E-01 RMM: 4 -0.319252112418E+03 0.14638E-03 -0.10029E-03 4752 0.712E-02 0.195E-01 RMM: 5 -0.319251872764E+03 0.23965E-03 -0.18994E-04 3917 0.349E-02 0.845E-02 RMM: 6 -0.319251831321E+03 0.41443E-04 -0.40429E-05 3045 0.193E-02 0.383E-02 RMM: 7 -0.319251845494E+03 -0.14173E-04 -0.25778E-05 2624 0.148E-02 9116 T= 5733. E= 0.67573820E+03 F= 0.63701714E+03 E0= 0.66588188E+03 EK= 0.46688E+02 SP= -.80E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318809733426E+03 0.44210E+00 -0.33726E-01 8984 0.219E+01 0.212E-01 RMM: 2 -0.318838386787E+03 -0.28653E-01 -0.25258E-01 6046 0.912E-01 0.820E-01 RMM: 3 -0.318830782754E+03 0.76040E-02 -0.12344E-02 5868 0.216E-01 0.172E-01 RMM: 4 -0.318830559571E+03 0.22318E-03 -0.86826E-04 4841 0.610E-02 0.139E-01 RMM: 5 -0.318830441387E+03 0.11818E-03 -0.12186E-04 3837 0.271E-02 0.791E-02 RMM: 6 -0.318830417627E+03 0.23760E-04 -0.28109E-05 2757 0.161E-02 0.581E-02 RMM: 7 -0.318830438362E+03 -0.20736E-04 -0.57506E-05 3312 0.202E-02 0.866E-02 RMM: 8 -0.318830391158E+03 0.47205E-04 -0.43917E-05 3007 0.183E-02 0.289E-02 RMM: 9 -0.318830391019E+03 0.13848E-06 -0.15283E-05 2486 0.108E-02 9117 T= 5662. E= 0.67573467E+03 F= 0.63743860E+03 E0= 0.66626214E+03 EK= 0.46104E+02 SP= -.79E+01 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318402949585E+03 0.42744E+00 -0.34494E-01 8992 0.218E+01 0.214E-01 RMM: 2 -0.318431841802E+03 -0.28892E-01 -0.26088E-01 6355 0.907E-01 0.757E-01 RMM: 3 -0.318424686042E+03 0.71558E-02 -0.10617E-02 5623 0.205E-01 0.160E-01 RMM: 4 -0.318424673898E+03 0.12143E-04 -0.97030E-04 4811 0.662E-02 0.198E-01 RMM: 5 -0.318424405731E+03 0.26817E-03 -0.17870E-04 3893 0.338E-02 0.767E-02 RMM: 6 -0.318424375095E+03 0.30636E-04 -0.38724E-05 3025 0.185E-02 0.477E-02 RMM: 7 -0.318424381459E+03 -0.63640E-05 -0.30324E-05 2662 0.154E-02 9118 T= 5595. E= 0.67573128E+03 F= 0.63784461E+03 E0= 0.66662335E+03 EK= 0.45566E+02 SP= -.77E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317964338166E+03 0.46004E+00 -0.35230E-01 9000 0.217E+01 0.210E-01 RMM: 2 -0.317994191148E+03 -0.29853E-01 -0.26563E-01 6182 0.940E-01 0.811E-01 RMM: 3 -0.317986932414E+03 0.72587E-02 -0.12043E-02 5819 0.215E-01 0.173E-01 RMM: 4 -0.317986691990E+03 0.24042E-03 -0.85889E-04 4886 0.599E-02 0.135E-01 RMM: 5 -0.317986571904E+03 0.12009E-03 -0.11964E-04 3851 0.273E-02 0.776E-02 RMM: 6 -0.317986556283E+03 0.15622E-04 -0.27637E-05 2685 0.156E-02 9119 T= 5529. E= 0.67572894E+03 F= 0.63828243E+03 E0= 0.66701498E+03 EK= 0.45028E+02 SP= -.76E+01 SK= 0.18E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317467085056E+03 0.51949E+00 -0.34833E-01 8976 0.216E+01 0.281E-01 RMM: 2 -0.317504197460E+03 -0.37112E-01 -0.25927E-01 6412 0.908E-01 0.136E+00 RMM: 3 -0.317488739110E+03 0.15458E-01 -0.12731E-02 5399 0.255E-01 0.273E-01 RMM: 4 -0.317488259563E+03 0.47955E-03 -0.14149E-03 4852 0.735E-02 0.129E-01 RMM: 5 -0.317488179439E+03 0.80124E-04 -0.16985E-04 3943 0.319E-02 0.995E-02 RMM: 6 -0.317488126949E+03 0.52490E-04 -0.39679E-05 3019 0.188E-02 0.655E-02 RMM: 7 -0.317488144285E+03 -0.17336E-04 -0.42388E-05 3068 0.187E-02 9120 T= 5460. E= 0.67572743E+03 F= 0.63878084E+03 E0= 0.66746665E+03 EK= 0.44462E+02 SP= -.75E+01 SK= 0.66E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.316900728641E+03 0.58740E+00 -0.34526E-01 8912 0.216E+01 0.323E-01 RMM: 2 -0.316942218860E+03 -0.41490E-01 -0.26539E-01 5831 0.950E-01 0.158E+00 RMM: 3 -0.316922767632E+03 0.19451E-01 -0.16280E-02 5427 0.280E-01 0.344E-01 RMM: 4 -0.316921992009E+03 0.77562E-03 -0.20000E-03 4844 0.928E-02 0.139E-01 RMM: 5 -0.316921975194E+03 0.16816E-04 -0.30586E-04 3906 0.412E-02 0.146E-01 RMM: 6 -0.316921833657E+03 0.14154E-03 -0.96656E-05 3682 0.280E-02 0.446E-02 RMM: 7 -0.316921836365E+03 -0.27087E-05 -0.24657E-05 2618 0.143E-02 9121 T= 5386. E= 0.67572732E+03 F= 0.63934715E+03 E0= 0.66798874E+03 EK= 0.43864E+02 SP= -.75E+01 SK= 0.53E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.316284377190E+03 0.63746E+00 -0.33376E-01 8856 0.215E+01 0.282E-01 RMM: 2 -0.316320852238E+03 -0.36475E-01 -0.24405E-01 6281 0.895E-01 0.142E+00 RMM: 3 -0.316304739098E+03 0.16113E-01 -0.12355E-02 5412 0.251E-01 0.249E-01 RMM: 4 -0.316304333773E+03 0.40532E-03 -0.13679E-03 4885 0.715E-02 0.124E-01 RMM: 5 -0.316304261234E+03 0.72539E-04 -0.17881E-04 3904 0.332E-02 0.998E-02 RMM: 6 -0.316304196956E+03 0.64278E-04 -0.53121E-05 3242 0.212E-02 0.513E-02 RMM: 7 -0.316304212467E+03 -0.15511E-04 -0.32346E-05 2687 0.163E-02 9122 T= 5311. E= 0.67572847E+03 F= 0.63996478E+03 E0= 0.66856495E+03 EK= 0.43252E+02 SP= -.75E+01 SK= 0.16E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.315657218184E+03 0.64698E+00 -0.31971E-01 8872 0.213E+01 0.202E-01 RMM: 2 -0.315683967416E+03 -0.26749E-01 -0.22813E-01 6395 0.878E-01 0.853E-01 RMM: 3 -0.315677030237E+03 0.69372E-02 -0.94756E-03 5494 0.209E-01 0.204E-01 RMM: 4 -0.315676772203E+03 0.25803E-03 -0.90501E-04 4916 0.598E-02 0.108E-01 RMM: 5 -0.315676713911E+03 0.58292E-04 -0.11910E-04 3859 0.272E-02 0.876E-02 RMM: 6 -0.315676670470E+03 0.43441E-04 -0.34593E-05 2975 0.178E-02 0.468E-02 RMM: 7 -0.315676680464E+03 -0.99940E-05 -0.33691E-05 2736 0.166E-02 9123 T= 5240. E= 0.67573123E+03 F= 0.64059231E+03 E0= 0.66915752E+03 EK= 0.42668E+02 SP= -.75E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315088522135E+03 0.58815E+00 -0.30237E-01 8920 0.212E+01 0.221E-01 RMM: 2 -0.315117062775E+03 -0.28541E-01 -0.22796E-01 6061 0.912E-01 0.102E+00 RMM: 3 -0.315108374555E+03 0.86882E-02 -0.12499E-02 5586 0.232E-01 0.197E-01 RMM: 4 -0.315108068075E+03 0.30648E-03 -0.10462E-03 4905 0.648E-02 0.111E-01 RMM: 5 -0.315107998957E+03 0.69118E-04 -0.13483E-04 4046 0.275E-02 0.860E-02 RMM: 6 -0.315107958867E+03 0.40090E-04 -0.33932E-05 2929 0.176E-02 0.512E-02 RMM: 7 -0.315107974127E+03 -0.15260E-04 -0.35127E-05 2733 0.168E-02 9124 T= 5180. E= 0.67573572E+03 F= 0.64116102E+03 E0= 0.66969774E+03 EK= 0.42183E+02 SP= -.76E+01 SK= 0.31E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314670948496E+03 0.43701E+00 -0.27344E-01 8984 0.211E+01 0.202E-01 RMM: 2 -0.314696948341E+03 -0.26000E-01 -0.21807E-01 5890 0.923E-01 0.892E-01 RMM: 3 -0.314690176519E+03 0.67718E-02 -0.12979E-02 5653 0.229E-01 0.203E-01 RMM: 4 -0.314689811684E+03 0.36484E-03 -0.96130E-04 5004 0.624E-02 0.103E-01 RMM: 5 -0.314689758773E+03 0.52911E-04 -0.12732E-04 3893 0.280E-02 0.865E-02 RMM: 6 -0.314689721624E+03 0.37149E-04 -0.34412E-05 2922 0.177E-02 0.545E-02 RMM: 7 -0.314689735923E+03 -0.14299E-04 -0.43854E-05 3041 0.189E-02 9125 T= 5144. E= 0.67574066E+03 F= 0.64157925E+03 E0= 0.67009524E+03 EK= 0.41888E+02 SP= -.78E+01 SK= 0.62E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314505407096E+03 0.18431E+00 -0.22898E-01 8976 0.211E+01 0.200E-01 RMM: 2 -0.314529503936E+03 -0.24097E-01 -0.19006E-01 5818 0.870E-01 0.965E-01 RMM: 3 -0.314521994177E+03 0.75098E-02 -0.11867E-02 5604 0.223E-01 0.195E-01 RMM: 4 -0.314521680328E+03 0.31385E-03 -0.94233E-04 4831 0.629E-02 0.103E-01 RMM: 5 -0.314521619984E+03 0.60345E-04 -0.12389E-04 3939 0.265E-02 0.824E-02 RMM: 6 -0.314521587081E+03 0.32903E-04 -0.29096E-05 2793 0.166E-02 0.532E-02 RMM: 7 -0.314521599018E+03 -0.11937E-04 -0.28691E-05 2649 0.156E-02 9126 T= 5143. E= 0.67574521E+03 F= 0.64174739E+03 E0= 0.67025048E+03 EK= 0.41884E+02 SP= -.80E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314677445031E+03 -0.15586E+00 -0.18487E-01 8976 0.211E+01 0.207E-01 RMM: 2 -0.314699868396E+03 -0.22423E-01 -0.16993E-01 5447 0.841E-01 0.988E-01 RMM: 3 -0.314691877643E+03 0.79908E-02 -0.12414E-02 5731 0.225E-01 0.197E-01 RMM: 4 -0.314691513609E+03 0.36403E-03 -0.91440E-04 5086 0.607E-02 0.895E-02 RMM: 5 -0.314691473558E+03 0.40051E-04 -0.10532E-04 3731 0.259E-02 0.801E-02 RMM: 6 -0.314691444760E+03 0.28798E-04 -0.27760E-05 2687 0.161E-02 0.562E-02 RMM: 7 -0.314691458461E+03 -0.13701E-04 -0.32954E-05 2828 0.166E-02 9127 T= 5189. E= 0.67574785E+03 F= 0.64157753E+03 E0= 0.67007650E+03 EK= 0.42258E+02 SP= -.82E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315240603851E+03 -0.54916E+00 -0.14860E-01 8848 0.213E+01 0.197E-01 RMM: 2 -0.315261165480E+03 -0.20562E-01 -0.14918E-01 5303 0.785E-01 0.983E-01 RMM: 3 -0.315253207156E+03 0.79583E-02 -0.12023E-02 5583 0.223E-01 0.195E-01 RMM: 4 -0.315252889143E+03 0.31801E-03 -0.97705E-04 4969 0.624E-02 0.925E-02 RMM: 5 -0.315252839489E+03 0.49654E-04 -0.11088E-04 3847 0.258E-02 0.776E-02 RMM: 6 -0.315252808400E+03 0.31089E-04 -0.25527E-05 2645 0.155E-02 0.484E-02 RMM: 7 -0.315252813734E+03 -0.53343E-05 -0.21599E-05 2578 0.139E-02 9128 T= 5288. E= 0.67574704E+03 F= 0.64101618E+03 E0= 0.66951950E+03 EK= 0.43063E+02 SP= -.85E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316196760572E+03 -0.94395E+00 -0.13159E-01 8560 0.215E+01 0.210E-01 RMM: 2 -0.316216789940E+03 -0.20029E-01 -0.14384E-01 5135 0.799E-01 0.101E+00 RMM: 3 -0.316208772275E+03 0.80177E-02 -0.12954E-02 5740 0.229E-01 0.194E-01 RMM: 4 -0.316208408037E+03 0.36424E-03 -0.94768E-04 5168 0.612E-02 0.876E-02 RMM: 5 -0.316208369043E+03 0.38994E-04 -0.10467E-04 3724 0.268E-02 0.794E-02 RMM: 6 -0.316208335199E+03 0.33844E-04 -0.26643E-05 2618 0.158E-02 0.510E-02 RMM: 7 -0.316208339759E+03 -0.45603E-05 -0.26583E-05 2628 0.151E-02 9129 T= 5440. E= 0.67574351E+03 F= 0.64006065E+03 E0= 0.66857683E+03 EK= 0.44304E+02 SP= -.89E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317503362586E+03 -0.12950E+01 -0.12229E-01 8736 0.219E+01 0.177E-01 RMM: 2 -0.317520738751E+03 -0.17376E-01 -0.13137E-01 5184 0.757E-01 0.883E-01 RMM: 3 -0.317514501479E+03 0.62373E-02 -0.11407E-02 5688 0.209E-01 0.162E-01 RMM: 4 -0.317514242848E+03 0.25863E-03 -0.78262E-04 4798 0.589E-02 0.101E-01 RMM: 5 -0.317514174436E+03 0.68412E-04 -0.10086E-04 3740 0.260E-02 0.701E-02 RMM: 6 -0.317514153232E+03 0.21204E-04 -0.24068E-05 2564 0.148E-02 0.498E-02 RMM: 7 -0.317514153187E+03 0.44447E-07 -0.23664E-05 2617 0.140E-02 9130 T= 5641. E= 0.67573687E+03 F= 0.63875484E+03 E0= 0.66729101E+03 EK= 0.45936E+02 SP= -.93E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319074008174E+03 -0.15599E+01 -0.13711E-01 8744 0.223E+01 0.179E-01 RMM: 2 -0.319091797611E+03 -0.17789E-01 -0.14998E-01 5059 0.829E-01 0.764E-01 RMM: 3 -0.319086808844E+03 0.49888E-02 -0.13864E-02 5913 0.224E-01 0.168E-01 RMM: 4 -0.319086465124E+03 0.34372E-03 -0.76464E-04 4933 0.592E-02 0.105E-01 RMM: 5 -0.319086400405E+03 0.64718E-04 -0.10562E-04 3740 0.278E-02 0.782E-02 RMM: 6 -0.319086368991E+03 0.31414E-04 -0.27924E-05 2632 0.160E-02 0.528E-02 RMM: 7 -0.319086360065E+03 0.89263E-05 -0.34483E-05 2679 0.170E-02 9131 T= 5879. E= 0.67572839E+03 F= 0.63718263E+03 E0= 0.66574557E+03 EK= 0.47875E+02 SP= -.97E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320805524361E+03 -0.17192E+01 -0.15039E-01 8928 0.228E+01 0.162E-01 RMM: 2 -0.320823279544E+03 -0.17755E-01 -0.15529E-01 5254 0.813E-01 0.690E-01 RMM: 3 -0.320818598619E+03 0.46809E-02 -0.12727E-02 5833 0.209E-01 0.149E-01 RMM: 4 -0.320818340594E+03 0.25803E-03 -0.76780E-04 4751 0.609E-02 0.122E-01 RMM: 5 -0.320818232058E+03 0.10854E-03 -0.12097E-04 3846 0.290E-02 0.683E-02 RMM: 6 -0.320818216162E+03 0.15896E-04 -0.24176E-05 2586 0.144E-02 9132 T= 6141. E= 0.67571963E+03 F= 0.63545077E+03 E0= 0.66404543E+03 EK= 0.50012E+02 SP= -.10E+02 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322583184245E+03 -0.17650E+01 -0.17011E-01 9000 0.232E+01 0.216E-01 RMM: 2 -0.322608460062E+03 -0.25276E-01 -0.17744E-01 5340 0.843E-01 0.115E+00 RMM: 3 -0.322597596736E+03 0.10863E-01 -0.13786E-02 5593 0.238E-01 0.197E-01 RMM: 4 -0.322597272221E+03 0.32452E-03 -0.11161E-03 5011 0.662E-02 0.112E-01 RMM: 5 -0.322597176950E+03 0.95271E-04 -0.12053E-04 3977 0.278E-02 0.798E-02 RMM: 6 -0.322597161661E+03 0.15289E-04 -0.27410E-05 2571 0.154E-02 9133 T= 6413. E= 0.67571132E+03 F= 0.63367183E+03 E0= 0.66230323E+03 EK= 0.52227E+02 SP= -.11E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324299912327E+03 -0.17027E+01 -0.19962E-01 9008 0.237E+01 0.324E-01 RMM: 2 -0.324339255480E+03 -0.39343E-01 -0.20970E-01 5265 0.941E-01 0.172E+00 RMM: 3 -0.324316786813E+03 0.22469E-01 -0.19423E-02 5432 0.309E-01 0.342E-01 RMM: 4 -0.324315947049E+03 0.83976E-03 -0.21925E-03 5095 0.950E-02 0.112E-01 RMM: 5 -0.324315867705E+03 0.79344E-04 -0.25157E-04 4225 0.341E-02 0.103E-01 RMM: 6 -0.324315814463E+03 0.53242E-04 -0.44070E-05 3070 0.199E-02 0.671E-02 RMM: 7 -0.324315825245E+03 -0.10782E-04 -0.65105E-05 3383 0.203E-02 9134 T= 6681. E= 0.67570337E+03 F= 0.63195316E+03 E0= 0.66062628E+03 EK= 0.54405E+02 SP= -.11E+02 SK= 0.43E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325863309266E+03 -0.15475E+01 -0.23273E-01 9016 0.241E+01 0.323E-01 RMM: 2 -0.325903958580E+03 -0.40649E-01 -0.24094E-01 5270 0.981E-01 0.165E+00 RMM: 3 -0.325882588942E+03 0.21370E-01 -0.19783E-02 5475 0.303E-01 0.324E-01 RMM: 4 -0.325881946188E+03 0.64275E-03 -0.23390E-03 5064 0.103E-01 0.183E-01 RMM: 5 -0.325881790324E+03 0.15586E-03 -0.34604E-04 3944 0.450E-02 0.129E-01 RMM: 6 -0.325881684356E+03 0.10597E-03 -0.89220E-05 3695 0.263E-02 0.521E-02 RMM: 7 -0.325881686866E+03 -0.25101E-05 -0.28573E-05 2683 0.155E-02 9135 T= 6931. E= 0.67569642E+03 F= 0.63038730E+03 E0= 0.65910480E+03 EK= 0.56443E+02 SP= -.12E+02 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327201321624E+03 -0.13196E+01 -0.27652E-01 9024 0.245E+01 0.252E-01 RMM: 2 -0.327235531095E+03 -0.34209E-01 -0.26916E-01 5323 0.103E+00 0.115E+00 RMM: 3 -0.327223388836E+03 0.12142E-01 -0.19400E-02 5661 0.283E-01 0.234E-01 RMM: 4 -0.327222941390E+03 0.44745E-03 -0.15117E-03 5140 0.779E-02 0.134E-01 RMM: 5 -0.327222811334E+03 0.13006E-03 -0.18786E-04 3920 0.342E-02 0.965E-02 RMM: 6 -0.327222764880E+03 0.46454E-04 -0.48688E-05 3145 0.201E-02 0.671E-02 RMM: 7 -0.327222760188E+03 0.46922E-05 -0.75290E-05 3634 0.222E-02 9136 T= 7154. E= 0.67569127E+03 F= 0.62904623E+03 E0= 0.65781024E+03 EK= 0.58256E+02 SP= -.12E+02 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328267318204E+03 -0.10446E+01 -0.32407E-01 9080 0.248E+01 0.231E-01 RMM: 2 -0.328303490028E+03 -0.36172E-01 -0.29303E-01 5398 0.107E+00 0.110E+00 RMM: 3 -0.328292134213E+03 0.11356E-01 -0.20575E-02 5810 0.277E-01 0.199E-01 RMM: 4 -0.328291715814E+03 0.41840E-03 -0.13693E-03 4942 0.793E-02 0.151E-01 RMM: 5 -0.328291559981E+03 0.15583E-03 -0.19572E-04 3920 0.346E-02 0.812E-02 RMM: 6 -0.328291529618E+03 0.30363E-04 -0.42620E-05 3031 0.187E-02 0.596E-02 RMM: 7 -0.328291533088E+03 -0.34698E-05 -0.37875E-05 2730 0.179E-02 9137 T= 7341. E= 0.67568742E+03 F= 0.62797746E+03 E0= 0.65678836E+03 EK= 0.59784E+02 SP= -.12E+02 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329036177760E+03 -0.74465E+00 -0.38438E-01 9088 0.251E+01 0.209E-01 RMM: 2 -0.329072555036E+03 -0.36377E-01 -0.33807E-01 5329 0.119E+00 0.768E-01 RMM: 3 -0.329065543279E+03 0.70118E-02 -0.25549E-02 6136 0.288E-01 0.165E-01 RMM: 4 -0.329065029499E+03 0.51378E-03 -0.12141E-03 5056 0.771E-02 0.156E-01 RMM: 5 -0.329064871677E+03 0.15782E-03 -0.18347E-04 3961 0.331E-02 0.849E-02 RMM: 6 -0.329064836531E+03 0.35147E-04 -0.46031E-05 3095 0.194E-02 0.577E-02 RMM: 7 -0.329064831918E+03 0.46130E-05 -0.60914E-05 3388 0.214E-02 9138 T= 7490. E= 0.67568553E+03 F= 0.62720416E+03 E0= 0.65605928E+03 EK= 0.60993E+02 SP= -.13E+02 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329516607347E+03 -0.45177E+00 -0.40656E-01 8992 0.252E+01 0.213E-01 RMM: 2 -0.329554048804E+03 -0.37441E-01 -0.33168E-01 5563 0.118E+00 0.919E-01 RMM: 3 -0.329545674091E+03 0.83747E-02 -0.22627E-02 6051 0.276E-01 0.187E-01 RMM: 4 -0.329545138951E+03 0.53514E-03 -0.11852E-03 4977 0.779E-02 0.141E-01 RMM: 5 -0.329545018603E+03 0.12035E-03 -0.17879E-04 3949 0.324E-02 0.866E-02 RMM: 6 -0.329544985784E+03 0.32819E-04 -0.47249E-05 3117 0.199E-02 0.587E-02 RMM: 7 -0.329545005324E+03 -0.19540E-04 -0.54486E-05 3212 0.199E-02 9139 T= 7598. E= 0.67568524E+03 F= 0.62672398E+03 E0= 0.65561918E+03 EK= 0.61873E+02 SP= -.13E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329731573440E+03 -0.18659E+00 -0.40290E-01 8928 0.253E+01 0.218E-01 RMM: 2 -0.329766799061E+03 -0.35226E-01 -0.30779E-01 5813 0.111E+00 0.935E-01 RMM: 3 -0.329758598943E+03 0.82001E-02 -0.18079E-02 5852 0.261E-01 0.207E-01 RMM: 4 -0.329758162596E+03 0.43635E-03 -0.11074E-03 4895 0.732E-02 0.128E-01 RMM: 5 -0.329758054105E+03 0.10849E-03 -0.16277E-04 4017 0.305E-02 0.793E-02 RMM: 6 -0.329758029418E+03 0.24686E-04 -0.38311E-05 2974 0.184E-02 0.556E-02 RMM: 7 -0.329758048303E+03 -0.18885E-04 -0.39587E-05 2830 0.177E-02 9140 T= 7668. E= 0.67568663E+03 F= 0.62651094E+03 E0= 0.65543840E+03 EK= 0.62444E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329727203585E+03 0.30826E-01 -0.39685E-01 8784 0.254E+01 0.197E-01 RMM: 2 -0.329757726248E+03 -0.30523E-01 -0.28496E-01 6095 0.106E+00 0.706E-01 RMM: 3 -0.329752320994E+03 0.54053E-02 -0.14313E-02 5903 0.236E-01 0.160E-01 RMM: 4 -0.329752080366E+03 0.24063E-03 -0.86448E-04 4858 0.638E-02 0.144E-01 RMM: 5 -0.329751952318E+03 0.12805E-03 -0.13574E-04 3890 0.310E-02 0.860E-02 RMM: 6 -0.329751923071E+03 0.29248E-04 -0.42466E-05 3041 0.193E-02 0.608E-02 RMM: 7 -0.329751938462E+03 -0.15391E-04 -0.69568E-05 3588 0.218E-02 9141 T= 7705. E= 0.67568945E+03 F= 0.62651705E+03 E0= 0.65546839E+03 EK= 0.62747E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329568412271E+03 0.18351E+00 -0.37678E-01 8936 0.253E+01 0.226E-01 RMM: 2 -0.329601456496E+03 -0.33044E-01 -0.28624E-01 5859 0.108E+00 0.934E-01 RMM: 3 -0.329593328736E+03 0.81278E-02 -0.16034E-02 5844 0.259E-01 0.213E-01 RMM: 4 -0.329592937402E+03 0.39133E-03 -0.10936E-03 4877 0.713E-02 0.132E-01 RMM: 5 -0.329592822915E+03 0.11449E-03 -0.15828E-04 3937 0.320E-02 0.844E-02 RMM: 6 -0.329592794925E+03 0.27990E-04 -0.43791E-05 3060 0.193E-02 0.641E-02 RMM: 7 -0.329592814323E+03 -0.19398E-04 -0.67554E-05 3522 0.214E-02 9142 T= 7717. E= 0.67569304E+03 F= 0.62667617E+03 E0= 0.65564121E+03 EK= 0.62843E+02 SP= -.14E+02 SK= 0.72E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329329897135E+03 0.26290E+00 -0.33838E-01 8784 0.253E+01 0.215E-01 RMM: 2 -0.329361804602E+03 -0.31907E-01 -0.27969E-01 5907 0.108E+00 0.885E-01 RMM: 3 -0.329354327716E+03 0.74769E-02 -0.16142E-02 5707 0.261E-01 0.187E-01 RMM: 4 -0.329354033408E+03 0.29431E-03 -0.11053E-03 4921 0.699E-02 0.140E-01 RMM: 5 -0.329353910278E+03 0.12313E-03 -0.15092E-04 3976 0.317E-02 0.893E-02 RMM: 6 -0.329353878362E+03 0.31915E-04 -0.45023E-05 3093 0.196E-02 0.649E-02 RMM: 7 -0.329353897792E+03 -0.19429E-04 -0.66956E-05 3504 0.217E-02 9143 T= 7712. E= 0.67569740E+03 F= 0.62691509E+03 E0= 0.65588293E+03 EK= 0.62806E+02 SP= -.14E+02 SK= 0.41E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.329084177437E+03 0.26970E+00 -0.29954E-01 8904 0.253E+01 0.239E-01 RMM: 2 -0.329118270971E+03 -0.34094E-01 -0.27311E-01 5636 0.109E+00 0.109E+00 RMM: 3 -0.329107977619E+03 0.10293E-01 -0.17863E-02 5681 0.280E-01 0.241E-01 RMM: 4 -0.329107488108E+03 0.48951E-03 -0.13123E-03 4977 0.771E-02 0.123E-01 RMM: 5 -0.329107407940E+03 0.80168E-04 -0.17463E-04 4045 0.332E-02 0.927E-02 RMM: 6 -0.329107368001E+03 0.39939E-04 -0.42742E-05 3046 0.190E-02 0.659E-02 RMM: 7 -0.329107390479E+03 -0.22477E-04 -0.56035E-05 3295 0.204E-02 0.973E-02 RMM: 8 -0.329107335029E+03 0.55450E-04 -0.78158E-05 3771 0.220E-02 0.429E-02 RMM: 9 -0.329107325975E+03 0.90543E-05 -0.17793E-05 2531 0.121E-02 9144 T= 7700. E= 0.67570061E+03 F= 0.62716166E+03 E0= 0.65612304E+03 EK= 0.62705E+02 SP= -.14E+02 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328888014964E+03 0.21932E+00 -0.25716E-01 8728 0.253E+01 0.211E-01 RMM: 2 -0.328915936370E+03 -0.27921E-01 -0.24251E-01 6136 0.102E+00 0.847E-01 RMM: 3 -0.328909409990E+03 0.65264E-02 -0.13043E-02 5543 0.247E-01 0.186E-01 RMM: 4 -0.328909243015E+03 0.16697E-03 -0.10357E-03 4891 0.697E-02 0.160E-01 RMM: 5 -0.328909077329E+03 0.16569E-03 -0.15920E-04 3921 0.334E-02 0.863E-02 RMM: 6 -0.328909035533E+03 0.41795E-04 -0.42219E-05 3047 0.193E-02 0.524E-02 RMM: 7 -0.328909043856E+03 -0.83233E-05 -0.32757E-05 2643 0.169E-02 9145 T= 7687. E= 0.67570158E+03 F= 0.62735995E+03 E0= 0.65630630E+03 EK= 0.62595E+02 SP= -.14E+02 SK= 0.52E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328762875967E+03 0.14616E+00 -0.23429E-01 8608 0.253E+01 0.209E-01 RMM: 2 -0.328789346999E+03 -0.26471E-01 -0.21769E-01 5912 0.967E-01 0.948E-01 RMM: 3 -0.328781697881E+03 0.76491E-02 -0.12624E-02 5661 0.243E-01 0.202E-01 RMM: 4 -0.328781389286E+03 0.30860E-03 -0.89825E-04 4903 0.624E-02 0.106E-01 RMM: 5 -0.328781339273E+03 0.50012E-04 -0.10421E-04 3874 0.274E-02 0.858E-02 RMM: 6 -0.328781319155E+03 0.20119E-04 -0.29139E-05 2615 0.164E-02 0.716E-02 RMM: 7 -0.328781345764E+03 -0.26609E-04 -0.79015E-05 3657 0.225E-02 0.101E-01 RMM: 8 -0.328781284583E+03 0.61181E-04 -0.68014E-05 3565 0.216E-02 0.352E-02 RMM: 9 -0.328781282275E+03 0.23079E-05 -0.17221E-05 2510 0.121E-02 9146 T= 7675. E= 0.67569910E+03 F= 0.62748771E+03 E0= 0.65641093E+03 EK= 0.62498E+02 SP= -.14E+02 SK= 0.70E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.328676404459E+03 0.10488E+00 -0.23559E-01 8776 0.253E+01 0.182E-01 RMM: 2 -0.328700165334E+03 -0.23761E-01 -0.21942E-01 5872 0.970E-01 0.664E-01 RMM: 3 -0.328695334708E+03 0.48306E-02 -0.12851E-02 5740 0.233E-01 0.152E-01 RMM: 4 -0.328695212097E+03 0.12261E-03 -0.91681E-04 4877 0.698E-02 0.160E-01 RMM: 5 -0.328695033961E+03 0.17814E-03 -0.17182E-04 3902 0.354E-02 0.637E-02 RMM: 6 -0.328695014640E+03 0.19321E-04 -0.29151E-05 2704 0.164E-02 9147 T= 7661. E= 0.67569435E+03 F= 0.62757397E+03 E0= 0.65646968E+03 EK= 0.62387E+02 SP= -.14E+02 SK= 0.30E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328561749338E+03 0.13328E+00 -0.22835E-01 8608 0.254E+01 0.224E-01 RMM: 2 -0.328588535905E+03 -0.26787E-01 -0.20806E-01 5746 0.929E-01 0.105E+00 RMM: 3 -0.328578915296E+03 0.96206E-02 -0.12979E-02 5595 0.245E-01 0.230E-01 RMM: 4 -0.328578523201E+03 0.39210E-03 -0.10243E-03 4986 0.648E-02 0.106E-01 RMM: 5 -0.328578465911E+03 0.57290E-04 -0.11615E-04 4085 0.281E-02 0.906E-02 RMM: 6 -0.328578448290E+03 0.17621E-04 -0.30333E-05 2618 0.164E-02 9148 T= 7637. E= 0.67568819E+03 F= 0.62769054E+03 E0= 0.65655674E+03 EK= 0.62193E+02 SP= -.14E+02 SK= 0.14E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.328327090711E+03 0.25138E+00 -0.22601E-01 8616 0.254E+01 0.341E-01 RMM: 2 -0.328371587569E+03 -0.44497E-01 -0.21959E-01 5341 0.972E-01 0.190E+00 RMM: 3 -0.328344535688E+03 0.27052E-01 -0.20022E-02 5392 0.327E-01 0.357E-01 RMM: 4 -0.328343615929E+03 0.91976E-03 -0.22449E-03 5213 0.962E-02 0.120E-01 RMM: 5 -0.328343563661E+03 0.52267E-04 -0.24887E-04 4269 0.328E-02 0.110E-01 RMM: 6 -0.328343509014E+03 0.54647E-04 -0.36429E-05 2817 0.184E-02 0.777E-02 RMM: 7 -0.328343531546E+03 -0.22532E-04 -0.52541E-05 3271 0.199E-02 0.101E-01 RMM: 8 -0.328343487521E+03 0.44025E-04 -0.12160E-04 3891 0.252E-02 0.642E-02 RMM: 9 -0.328343471020E+03 0.16500E-04 -0.31073E-05 2745 0.153E-02 9149 T= 7593. E= 0.67568334E+03 F= 0.62792552E+03 E0= 0.65676452E+03 EK= 0.61831E+02 SP= -.14E+02 SK= 0.32E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327907701958E+03 0.43579E+00 -0.22485E-01 8888 0.254E+01 0.364E-01 RMM: 2 -0.327949359042E+03 -0.41657E-01 -0.22756E-01 5361 0.972E-01 0.176E+00 RMM: 3 -0.327925745184E+03 0.23614E-01 -0.19636E-02 5408 0.320E-01 0.374E-01 RMM: 4 -0.327924883351E+03 0.86183E-03 -0.26621E-03 5241 0.112E-01 0.201E-01 RMM: 5 -0.327924824207E+03 0.59144E-04 -0.43730E-04 4177 0.510E-02 0.185E-01 RMM: 6 -0.327924594974E+03 0.22923E-03 -0.14076E-04 3872 0.327E-02 0.569E-02 RMM: 7 -0.327924619646E+03 -0.24672E-04 -0.55531E-05 3303 0.203E-02 0.834E-02 RMM: 8 -0.327924588409E+03 0.31237E-04 -0.40851E-05 2888 0.190E-02 0.421E-02 RMM: 9 -0.327924584665E+03 0.37439E-05 -0.18134E-05 2525 0.124E-02 9150 T= 7520. E= 0.67568258E+03 F= 0.62834440E+03 E0= 0.65716034E+03 EK= 0.61241E+02 SP= -.14E+02 SK= 0.55E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327290859601E+03 0.63373E+00 -0.22180E-01 8952 0.253E+01 0.253E-01 RMM: 2 -0.327322301976E+03 -0.31442E-01 -0.22408E-01 5396 0.979E-01 0.126E+00 RMM: 3 -0.327309359670E+03 0.12942E-01 -0.17880E-02 5635 0.280E-01 0.257E-01 RMM: 4 -0.327308814254E+03 0.54542E-03 -0.13795E-03 5008 0.761E-02 0.103E-01 RMM: 5 -0.327308743095E+03 0.71160E-04 -0.16193E-04 4307 0.307E-02 0.904E-02 RMM: 6 -0.327308707183E+03 0.35911E-04 -0.28936E-05 2600 0.160E-02 0.662E-02 RMM: 7 -0.327308699246E+03 0.79370E-05 -0.47210E-05 3080 0.192E-02 9151 T= 7419. E= 0.67568562E+03 F= 0.62896029E+03 E0= 0.65775943E+03 EK= 0.60415E+02 SP= -.14E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326523736401E+03 0.78497E+00 -0.21242E-01 8736 0.252E+01 0.176E-01 RMM: 2 -0.326547462748E+03 -0.23726E-01 -0.20393E-01 5890 0.921E-01 0.826E-01 RMM: 3 -0.326541141656E+03 0.63211E-02 -0.12857E-02 5741 0.233E-01 0.182E-01 RMM: 4 -0.326540835099E+03 0.30656E-03 -0.78859E-04 4985 0.572E-02 0.108E-01 RMM: 5 -0.326540771235E+03 0.63864E-04 -0.80222E-05 3526 0.251E-02 0.825E-02 RMM: 6 -0.326540763838E+03 0.73975E-05 -0.32422E-05 2700 0.170E-02 9152 T= 7295. E= 0.67569156E+03 F= 0.62972823E+03 E0= 0.65851968E+03 EK= 0.59404E+02 SP= -.14E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325691370455E+03 0.84940E+00 -0.20320E-01 8792 0.249E+01 0.380E-01 RMM: 2 -0.325749658382E+03 -0.58288E-01 -0.22865E-01 5050 0.103E+00 0.236E+00 RMM: 3 -0.325709823732E+03 0.39835E-01 -0.25625E-02 5409 0.366E-01 0.365E-01 RMM: 4 -0.325708867614E+03 0.95612E-03 -0.28874E-03 5550 0.103E-01 0.120E-01 RMM: 5 -0.325708798057E+03 0.69557E-04 -0.26217E-04 4210 0.327E-02 0.107E-01 RMM: 6 -0.325708741016E+03 0.57041E-04 -0.40201E-05 3039 0.180E-02 0.757E-02 RMM: 7 -0.325708757943E+03 -0.16927E-04 -0.48626E-05 3221 0.192E-02 9153 T= 7159. E= 0.67569816E+03 F= 0.63056023E+03 E0= 0.65935234E+03 EK= 0.58300E+02 SP= -.13E+02 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324894251798E+03 0.81449E+00 -0.18778E-01 8704 0.247E+01 0.395E-01 RMM: 2 -0.324950666180E+03 -0.56414E-01 -0.20733E-01 5062 0.981E-01 0.239E+00 RMM: 3 -0.324910666039E+03 0.40000E-01 -0.24510E-02 5394 0.366E-01 0.381E-01 RMM: 4 -0.324909675400E+03 0.99064E-03 -0.29494E-03 5447 0.109E-01 0.137E-01 RMM: 5 -0.324909675288E+03 0.11219E-06 -0.33948E-04 3942 0.396E-02 0.153E-01 RMM: 6 -0.324909525047E+03 0.15024E-03 -0.93933E-05 3684 0.270E-02 0.583E-02 RMM: 7 -0.324909534367E+03 -0.93195E-05 -0.33636E-05 2908 0.165E-02 9154 T= 7025. E= 0.67570335E+03 F= 0.63135945E+03 E0= 0.66016037E+03 EK= 0.57204E+02 SP= -.13E+02 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324197349579E+03 0.71218E+00 -0.17846E-01 8680 0.245E+01 0.335E-01 RMM: 2 -0.324240926078E+03 -0.43576E-01 -0.19185E-01 5039 0.943E-01 0.198E+00 RMM: 3 -0.324212892007E+03 0.28034E-01 -0.20755E-02 5407 0.332E-01 0.335E-01 RMM: 4 -0.324212096209E+03 0.79580E-03 -0.23065E-03 5364 0.934E-02 0.116E-01 RMM: 5 -0.324212036437E+03 0.59772E-04 -0.23117E-04 3918 0.357E-02 0.104E-01 RMM: 6 -0.324211965949E+03 0.70488E-04 -0.47378E-05 3136 0.195E-02 0.588E-02 RMM: 7 -0.324211971194E+03 -0.52451E-05 -0.31074E-05 2703 0.165E-02 9155 T= 6900. E= 0.67570518E+03 F= 0.63205702E+03 E0= 0.66087268E+03 EK= 0.56191E+02 SP= -.13E+02 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323623240625E+03 0.58873E+00 -0.15446E-01 8576 0.244E+01 0.265E-01 RMM: 2 -0.323650586057E+03 -0.27345E-01 -0.15931E-01 5020 0.866E-01 0.139E+00 RMM: 3 -0.323636110750E+03 0.14475E-01 -0.15901E-02 5562 0.272E-01 0.252E-01 RMM: 4 -0.323635590822E+03 0.51993E-03 -0.14580E-03 4829 0.800E-02 0.983E-02 RMM: 5 -0.323635563661E+03 0.27160E-04 -0.19345E-04 4232 0.315E-02 0.966E-02 RMM: 6 -0.323635505116E+03 0.58546E-04 -0.35893E-05 2915 0.181E-02 0.469E-02 RMM: 7 -0.323635506547E+03 -0.14318E-05 -0.22138E-05 2547 0.149E-02 9156 T= 6789. E= 0.67570408E+03 F= 0.63263348E+03 E0= 0.66146747E+03 EK= 0.55286E+02 SP= -.12E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323143118101E+03 0.49239E+00 -0.14503E-01 8352 0.243E+01 0.242E-01 RMM: 2 -0.323168050432E+03 -0.24932E-01 -0.15300E-01 5012 0.864E-01 0.128E+00 RMM: 3 -0.323156004201E+03 0.12046E-01 -0.16117E-02 5615 0.259E-01 0.263E-01 RMM: 4 -0.323155391559E+03 0.61264E-03 -0.13124E-03 4873 0.776E-02 0.983E-02 RMM: 5 -0.323155362573E+03 0.28986E-04 -0.18244E-04 3965 0.321E-02 0.928E-02 RMM: 6 -0.323155306103E+03 0.56471E-04 -0.37202E-05 2950 0.183E-02 0.480E-02 RMM: 7 -0.323155307898E+03 -0.17954E-05 -0.22680E-05 2552 0.146E-02 9157 T= 6689. E= 0.67570103E+03 F= 0.63311368E+03 E0= 0.66196688E+03 EK= 0.54468E+02 SP= -.12E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322710064870E+03 0.44524E+00 -0.13648E-01 8200 0.242E+01 0.270E-01 RMM: 2 -0.322734757746E+03 -0.24693E-01 -0.13806E-01 4960 0.847E-01 0.137E+00 RMM: 3 -0.322721348524E+03 0.13409E-01 -0.15916E-02 5515 0.270E-01 0.257E-01 RMM: 4 -0.322720825772E+03 0.52275E-03 -0.13881E-03 4927 0.766E-02 0.102E-01 RMM: 5 -0.322720799353E+03 0.26419E-04 -0.18411E-04 3945 0.326E-02 0.100E-01 RMM: 6 -0.322720736020E+03 0.63333E-04 -0.43550E-05 3063 0.198E-02 0.457E-02 RMM: 7 -0.322720736635E+03 -0.61510E-06 -0.20911E-05 2545 0.144E-02 9158 T= 6593. E= 0.67569813E+03 F= 0.63354825E+03 E0= 0.66241964E+03 EK= 0.53694E+02 SP= -.12E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322269141113E+03 0.45159E+00 -0.13535E-01 7904 0.241E+01 0.242E-01 RMM: 2 -0.322291007178E+03 -0.21866E-01 -0.14109E-01 4908 0.847E-01 0.119E+00 RMM: 3 -0.322280985166E+03 0.10022E-01 -0.15878E-02 5613 0.258E-01 0.260E-01 RMM: 4 -0.322280420297E+03 0.56487E-03 -0.12766E-03 5015 0.743E-02 0.108E-01 RMM: 5 -0.322280374997E+03 0.45300E-04 -0.17682E-04 3908 0.334E-02 0.889E-02 RMM: 6 -0.322280320742E+03 0.54256E-04 -0.41094E-05 3010 0.190E-02 0.468E-02 RMM: 7 -0.322280322302E+03 -0.15603E-05 -0.21854E-05 2539 0.145E-02 9159 T= 6498. E= 0.67569603E+03 F= 0.63398867E+03 E0= 0.66287480E+03 EK= 0.52915E+02 SP= -.11E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321784949998E+03 0.49537E+00 -0.12419E-01 7824 0.240E+01 0.269E-01 RMM: 2 -0.321808664706E+03 -0.23715E-01 -0.11746E-01 4902 0.792E-01 0.143E+00 RMM: 3 -0.321794421289E+03 0.14243E-01 -0.14484E-02 5466 0.263E-01 0.251E-01 RMM: 4 -0.321793957799E+03 0.46349E-03 -0.13474E-03 4856 0.740E-02 0.101E-01 RMM: 5 -0.321793923290E+03 0.34508E-04 -0.17886E-04 3922 0.336E-02 0.899E-02 RMM: 6 -0.321793869813E+03 0.53477E-04 -0.40212E-05 3014 0.189E-02 0.435E-02 RMM: 7 -0.321793867193E+03 0.26206E-05 -0.16442E-05 2506 0.131E-02 9160 T= 6397. E= 0.67569478E+03 F= 0.63447512E+03 E0= 0.66337179E+03 EK= 0.52097E+02 SP= -.11E+02 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321226833264E+03 0.56704E+00 -0.12051E-01 7920 0.238E+01 0.236E-01 RMM: 2 -0.321245285500E+03 -0.18452E-01 -0.10778E-01 4866 0.756E-01 0.119E+00 RMM: 3 -0.321235771886E+03 0.95136E-02 -0.12830E-02 5530 0.245E-01 0.273E-01 RMM: 4 -0.321235221987E+03 0.54990E-03 -0.11372E-03 4837 0.705E-02 0.964E-02 RMM: 5 -0.321235179966E+03 0.42020E-04 -0.15899E-04 3897 0.322E-02 0.828E-02 RMM: 6 -0.321235131849E+03 0.48117E-04 -0.34691E-05 2874 0.176E-02 0.461E-02 RMM: 7 -0.321235129990E+03 0.18587E-05 -0.22198E-05 2516 0.148E-02 9161 T= 6289. E= 0.67569442E+03 F= 0.63503386E+03 E0= 0.66393512E+03 EK= 0.51216E+02 SP= -.11E+02 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320585643987E+03 0.64949E+00 -0.11211E-01 7976 0.236E+01 0.244E-01 RMM: 2 -0.320604603719E+03 -0.18960E-01 -0.87843E-02 5018 0.679E-01 0.132E+00 RMM: 3 -0.320592428421E+03 0.12175E-01 -0.10397E-02 5446 0.230E-01 0.229E-01 RMM: 4 -0.320592067143E+03 0.36128E-03 -0.10288E-03 4723 0.658E-02 0.929E-02 RMM: 5 -0.320592044259E+03 0.22884E-04 -0.14462E-04 3883 0.309E-02 0.895E-02 RMM: 6 -0.320591990884E+03 0.53375E-04 -0.34872E-05 2952 0.180E-02 0.389E-02 RMM: 7 -0.320591987293E+03 0.35908E-05 -0.13481E-05 2499 0.118E-02 9162 T= 6172. E= 0.67569467E+03 F= 0.63567700E+03 E0= 0.66457739E+03 EK= 0.50265E+02 SP= -.10E+02 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319857649815E+03 0.73434E+00 -0.11093E-01 7912 0.234E+01 0.231E-01 RMM: 2 -0.319874771516E+03 -0.17122E-01 -0.96555E-02 4979 0.712E-01 0.116E+00 RMM: 3 -0.319865484753E+03 0.92868E-02 -0.11327E-02 5506 0.230E-01 0.249E-01 RMM: 4 -0.319864998697E+03 0.48606E-03 -0.10197E-03 4769 0.665E-02 0.904E-02 RMM: 5 -0.319864956721E+03 0.41976E-04 -0.13455E-04 3895 0.292E-02 0.775E-02 RMM: 6 -0.319864915130E+03 0.41592E-04 -0.27521E-05 2642 0.157E-02 0.460E-02 RMM: 7 -0.319864911468E+03 0.36615E-05 -0.16401E-05 2503 0.129E-02 9163 T= 6048. E= 0.67569617E+03 F= 0.63640408E+03 E0= 0.66529736E+03 EK= 0.49249E+02 SP= -.10E+02 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319065879880E+03 0.79904E+00 -0.10432E-01 8040 0.232E+01 0.242E-01 RMM: 2 -0.319084337858E+03 -0.18458E-01 -0.84081E-02 5111 0.659E-01 0.133E+00 RMM: 3 -0.319072306175E+03 0.12032E-01 -0.98524E-03 5411 0.228E-01 0.243E-01 RMM: 4 -0.319071886503E+03 0.41967E-03 -0.10170E-03 4732 0.646E-02 0.860E-02 RMM: 5 -0.319071859981E+03 0.26522E-04 -0.13127E-04 3879 0.294E-02 0.807E-02 RMM: 6 -0.319071816650E+03 0.43331E-04 -0.27855E-05 2722 0.162E-02 0.409E-02 RMM: 7 -0.319071813494E+03 0.31563E-05 -0.13795E-05 2497 0.120E-02 9164 T= 5918. E= 0.67569854E+03 F= 0.63719718E+03 E0= 0.66607844E+03 EK= 0.48190E+02 SP= -.98E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318242260395E+03 0.82956E+00 -0.10619E-01 8096 0.229E+01 0.248E-01 RMM: 2 -0.318260225594E+03 -0.17965E-01 -0.94325E-02 5067 0.694E-01 0.125E+00 RMM: 3 -0.318249719285E+03 0.10506E-01 -0.11404E-02 5446 0.238E-01 0.257E-01 RMM: 4 -0.318249251291E+03 0.46799E-03 -0.10952E-03 4807 0.672E-02 0.946E-02 RMM: 5 -0.318249206262E+03 0.45029E-04 -0.14032E-04 3886 0.304E-02 0.850E-02 RMM: 6 -0.318249155423E+03 0.50839E-04 -0.31677E-05 2809 0.170E-02 0.436E-02 RMM: 7 -0.318249152182E+03 0.32407E-05 -0.21544E-05 2540 0.143E-02 9165 T= 5787. E= 0.67570212E+03 F= 0.63801984E+03 E0= 0.66688429E+03 EK= 0.47129E+02 SP= -.96E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317448801365E+03 0.80035E+00 -0.10704E-01 8096 0.227E+01 0.207E-01 RMM: 2 -0.317465904496E+03 -0.17103E-01 -0.98363E-02 5098 0.701E-01 0.114E+00 RMM: 3 -0.317456895213E+03 0.90093E-02 -0.10473E-02 5532 0.213E-01 0.205E-01 RMM: 4 -0.317456554998E+03 0.34021E-03 -0.89486E-04 4740 0.623E-02 0.951E-02 RMM: 5 -0.317456518945E+03 0.36053E-04 -0.12648E-04 3840 0.286E-02 0.792E-02 RMM: 6 -0.317456477791E+03 0.41154E-04 -0.28453E-05 2773 0.163E-02 0.411E-02 RMM: 7 -0.317456476612E+03 0.11789E-05 -0.14942E-05 2497 0.121E-02 9166 T= 5664. E= 0.67570763E+03 F= 0.63881251E+03 E0= 0.66765646E+03 EK= 0.46128E+02 SP= -.93E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316772051579E+03 0.68443E+00 -0.11001E-01 8048 0.224E+01 0.219E-01 RMM: 2 -0.316788329998E+03 -0.16278E-01 -0.10232E-01 5126 0.722E-01 0.106E+00 RMM: 3 -0.316780475794E+03 0.78542E-02 -0.11272E-02 5633 0.218E-01 0.220E-01 RMM: 4 -0.316780060442E+03 0.41535E-03 -0.86662E-04 4799 0.616E-02 0.878E-02 RMM: 5 -0.316780018613E+03 0.41829E-04 -0.11581E-04 3808 0.269E-02 0.808E-02 RMM: 6 -0.316779980451E+03 0.38162E-04 -0.27420E-05 2670 0.161E-02 0.476E-02 RMM: 7 -0.316779979576E+03 0.87528E-06 -0.18807E-05 2529 0.131E-02 9167 T= 5560. E= 0.67571449E+03 F= 0.63948901E+03 E0= 0.66830861E+03 EK= 0.45277E+02 SP= -.91E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316318228889E+03 0.46175E+00 -0.10924E-01 8112 0.222E+01 0.242E-01 RMM: 2 -0.316339756526E+03 -0.21528E-01 -0.10468E-01 5151 0.726E-01 0.137E+00 RMM: 3 -0.316326821926E+03 0.12935E-01 -0.11744E-02 5502 0.229E-01 0.236E-01 RMM: 4 -0.316326381927E+03 0.44000E-03 -0.10967E-03 4725 0.693E-02 0.970E-02 RMM: 5 -0.316326347118E+03 0.34809E-04 -0.14797E-04 3905 0.291E-02 0.851E-02 RMM: 6 -0.316326302285E+03 0.44833E-04 -0.29431E-05 2769 0.166E-02 0.453E-02 RMM: 7 -0.316326301843E+03 0.44179E-06 -0.17089E-05 2513 0.128E-02 9168 T= 5487. E= 0.67572170E+03 F= 0.63994269E+03 E0= 0.66873514E+03 EK= 0.44683E+02 SP= -.90E+01 SK= 0.48E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316200148524E+03 0.12615E+00 -0.10841E-01 8016 0.220E+01 0.262E-01 RMM: 2 -0.316221380744E+03 -0.21232E-01 -0.10886E-01 5152 0.741E-01 0.135E+00 RMM: 3 -0.316209029353E+03 0.12351E-01 -0.13078E-02 5498 0.245E-01 0.260E-01 RMM: 4 -0.316208513191E+03 0.51616E-03 -0.12029E-03 4788 0.705E-02 0.101E-01 RMM: 5 -0.316208477074E+03 0.36117E-04 -0.17020E-04 3904 0.328E-02 0.944E-02 RMM: 6 -0.316208417979E+03 0.59095E-04 -0.42490E-05 3082 0.194E-02 0.439E-02 RMM: 7 -0.316208418995E+03 -0.10160E-05 -0.19040E-05 2520 0.135E-02 9169 T= 5459. E= 0.67572816E+03 F= 0.64006057E+03 E0= 0.66882293E+03 EK= 0.44457E+02 SP= -.88E+01 SK= 0.27E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.316517858462E+03 -0.30944E+00 -0.10815E-01 8216 0.220E+01 0.259E-01 RMM: 2 -0.316539990484E+03 -0.22132E-01 -0.98663E-02 5224 0.700E-01 0.143E+00 RMM: 3 -0.316525904003E+03 0.14086E-01 -0.11369E-02 5480 0.232E-01 0.267E-01 RMM: 4 -0.316525370178E+03 0.53383E-03 -0.11900E-03 4668 0.723E-02 0.101E-01 RMM: 5 -0.316525334553E+03 0.35624E-04 -0.16514E-04 3895 0.312E-02 0.902E-02 RMM: 6 -0.316525282387E+03 0.52166E-04 -0.35362E-05 2959 0.181E-02 0.439E-02 RMM: 7 -0.316525283891E+03 -0.15043E-05 -0.17540E-05 2521 0.128E-02 9170 T= 5489. E= 0.67573163E+03 F= 0.63974371E+03 E0= 0.66847345E+03 EK= 0.44697E+02 SP= -.87E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.317326129582E+03 -0.80085E+00 -0.11606E-01 8104 0.221E+01 0.252E-01 RMM: 2 -0.317347406913E+03 -0.21277E-01 -0.11436E-01 5021 0.757E-01 0.130E+00 RMM: 3 -0.317335640818E+03 0.11766E-01 -0.13141E-02 5511 0.245E-01 0.253E-01 RMM: 4 -0.317335141166E+03 0.49965E-03 -0.11527E-03 4764 0.696E-02 0.915E-02 RMM: 5 -0.317335121341E+03 0.19824E-04 -0.16204E-04 3883 0.319E-02 9171 T= 5582. E= 0.67573122E+03 F= 0.63893387E+03 E0= 0.66762833E+03 EK= 0.45459E+02 SP= -.87E+01 SK= 0.31E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318629295033E+03 -0.12942E+01 -0.12081E-01 8576 0.224E+01 0.162E-01 RMM: 2 -0.318643680819E+03 -0.14386E-01 -0.10677E-01 5334 0.688E-01 0.827E-01 RMM: 3 -0.318638394814E+03 0.52860E-02 -0.88160E-03 5674 0.186E-01 0.164E-01 RMM: 4 -0.318638145886E+03 0.24893E-03 -0.59827E-04 4499 0.509E-02 0.983E-02 RMM: 5 -0.318638087340E+03 0.58545E-04 -0.77602E-05 3606 0.229E-02 0.772E-02 RMM: 6 -0.318638066443E+03 0.20898E-04 -0.28588E-05 2595 0.161E-02 0.652E-02 RMM: 7 -0.318638109474E+03 -0.43031E-04 -0.98371E-05 3887 0.213E-02 0.120E-01 RMM: 8 -0.318638015402E+03 0.94072E-04 -0.10188E-04 3884 0.255E-02 0.363E-02 RMM: 9 -0.318638011523E+03 0.38784E-05 -0.18545E-05 2537 0.127E-02 9172 T= 5739. E= 0.67572588E+03 F= 0.63763098E+03 E0= 0.66628859E+03 EK= 0.46738E+02 SP= -.86E+01 SK= 0.98E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.320360014451E+03 -0.17220E+01 -0.13164E-01 8336 0.228E+01 0.257E-01 RMM: 2 -0.320378457494E+03 -0.18443E-01 -0.13497E-01 4893 0.820E-01 0.985E-01 RMM: 3 -0.320371206591E+03 0.72509E-02 -0.14460E-02 5808 0.234E-01 0.208E-01 RMM: 4 -0.320370979116E+03 0.22747E-03 -0.11515E-03 4697 0.775E-02 0.206E-01 RMM: 5 -0.320370732423E+03 0.24669E-03 -0.23291E-04 3889 0.395E-02 0.919E-02 RMM: 6 -0.320370678569E+03 0.53854E-04 -0.48184E-05 3196 0.208E-02 0.326E-02 RMM: 7 -0.320370690519E+03 -0.11950E-04 -0.23222E-05 2559 0.146E-02 9173 T= 5952. E= 0.67571621E+03 F= 0.63589830E+03 E0= 0.66451682E+03 EK= 0.48468E+02 SP= -.87E+01 SK= 0.65E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.322406238588E+03 -0.20356E+01 -0.13629E-01 8600 0.233E+01 0.166E-01 RMM: 2 -0.322422182641E+03 -0.15944E-01 -0.13507E-01 5240 0.795E-01 0.725E-01 RMM: 3 -0.322417938298E+03 0.42443E-02 -0.12052E-02 6106 0.199E-01 0.160E-01 RMM: 4 -0.322417594515E+03 0.34378E-03 -0.59214E-04 4538 0.553E-02 0.959E-02 RMM: 5 -0.322417529710E+03 0.64805E-04 -0.89110E-05 3620 0.260E-02 0.663E-02 RMM: 6 -0.322417514628E+03 0.15082E-04 -0.23339E-05 2557 0.143E-02 9174 T= 6205. E= 0.67570459E+03 F= 0.63385147E+03 E0= 0.66242913E+03 EK= 0.50530E+02 SP= -.87E+01 SK= 0.23E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.324621961722E+03 -0.22044E+01 -0.14730E-01 8384 0.239E+01 0.245E-01 RMM: 2 -0.324646689477E+03 -0.24728E-01 -0.15901E-01 5101 0.866E-01 0.121E+00 RMM: 3 -0.324635540426E+03 0.11149E-01 -0.16285E-02 5590 0.257E-01 0.246E-01 RMM: 4 -0.324634990706E+03 0.54972E-03 -0.12019E-03 4972 0.702E-02 0.997E-02 RMM: 5 -0.324634931519E+03 0.59187E-04 -0.14098E-04 3918 0.296E-02 0.841E-02 RMM: 6 -0.324634899470E+03 0.32049E-04 -0.29063E-05 2603 0.161E-02 0.674E-02 RMM: 7 -0.324634918522E+03 -0.19052E-04 -0.56648E-05 3316 0.206E-02 9175 T= 6480. E= 0.67569204E+03 F= 0.63163407E+03 E0= 0.66017125E+03 EK= 0.52773E+02 SP= -.87E+01 SK= 0.32E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326861694484E+03 -0.22268E+01 -0.14490E-01 8432 0.245E+01 0.289E-01 RMM: 2 -0.326885798992E+03 -0.24105E-01 -0.14615E-01 5097 0.857E-01 0.132E+00 RMM: 3 -0.326873708807E+03 0.12090E-01 -0.15340E-02 5629 0.260E-01 0.301E-01 RMM: 4 -0.326873053676E+03 0.65513E-03 -0.15143E-03 4764 0.857E-02 0.144E-01 RMM: 5 -0.326873010218E+03 0.43458E-04 -0.27487E-04 3901 0.424E-02 0.130E-01 RMM: 6 -0.326872897742E+03 0.11248E-03 -0.84662E-05 3591 0.266E-02 0.393E-02 RMM: 7 -0.326872904431E+03 -0.66882E-05 -0.23380E-05 2580 0.147E-02 9176 T= 6759. E= 0.67568094E+03 F= 0.62939608E+03 E0= 0.65789515E+03 EK= 0.55042E+02 SP= -.88E+01 SK= 0.26E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328983602453E+03 -0.21107E+01 -0.15524E-01 8168 0.249E+01 0.224E-01 RMM: 2 -0.329006791612E+03 -0.23189E-01 -0.16591E-01 5101 0.896E-01 0.109E+00 RMM: 3 -0.328997836270E+03 0.89553E-02 -0.16386E-02 5757 0.253E-01 0.194E-01 RMM: 4 -0.328997446835E+03 0.38944E-03 -0.10148E-03 4927 0.668E-02 0.122E-01 RMM: 5 -0.328997340026E+03 0.10681E-03 -0.14127E-04 3868 0.317E-02 0.798E-02 RMM: 6 -0.328997311358E+03 0.28668E-04 -0.36600E-05 2884 0.179E-02 0.605E-02 RMM: 7 -0.328997308762E+03 0.25959E-05 -0.37057E-05 2657 0.170E-02 9177 T= 7023. E= 0.67567240E+03 F= 0.62727168E+03 E0= 0.65573457E+03 EK= 0.57190E+02 SP= -.88E+01 SK= 0.86E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.330891400229E+03 -0.18941E+01 -0.14928E-01 8392 0.253E+01 0.182E-01 RMM: 2 -0.330907718048E+03 -0.16318E-01 -0.13641E-01 5135 0.804E-01 0.754E-01 RMM: 3 -0.330903061666E+03 0.46564E-02 -0.12569E-02 6045 0.216E-01 0.176E-01 RMM: 4 -0.330902710352E+03 0.35131E-03 -0.65723E-04 4724 0.569E-02 0.996E-02 RMM: 5 -0.330902653148E+03 0.57204E-04 -0.10515E-04 3688 0.286E-02 0.690E-02 RMM: 6 -0.330902629092E+03 0.24056E-04 -0.26446E-05 2624 0.156E-02 0.472E-02 RMM: 7 -0.330902629357E+03 -0.26517E-06 -0.24180E-05 2557 0.150E-02 9178 T= 7257. E= 0.67566557E+03 F= 0.62536636E+03 E0= 0.65379949E+03 EK= 0.59100E+02 SP= -.88E+01 SK= 0.30E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.332499063335E+03 -0.15964E+01 -0.15534E-01 7952 0.256E+01 0.186E-01 RMM: 2 -0.332518101987E+03 -0.19039E-01 -0.15886E-01 4897 0.905E-01 0.800E-01 RMM: 3 -0.332513222390E+03 0.48796E-02 -0.16783E-02 6019 0.242E-01 0.168E-01 RMM: 4 -0.332512826436E+03 0.39595E-03 -0.79363E-04 4727 0.669E-02 0.128E-01 RMM: 5 -0.332512705809E+03 0.12063E-03 -0.14001E-04 3839 0.327E-02 0.660E-02 RMM: 6 -0.332512687342E+03 0.18466E-04 -0.30440E-05 2692 0.163E-02 9179 T= 7452. E= 0.67566188E+03 F= 0.62375630E+03 E0= 0.65216603E+03 EK= 0.60685E+02 SP= -.88E+01 SK= 0.27E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333773094869E+03 -0.12604E+01 -0.14051E-01 7880 0.257E+01 0.172E-01 RMM: 2 -0.333790483689E+03 -0.17389E-01 -0.13432E-01 5099 0.818E-01 0.865E-01 RMM: 3 -0.333784857736E+03 0.56260E-02 -0.12846E-02 5843 0.218E-01 0.175E-01 RMM: 4 -0.333784520215E+03 0.33752E-03 -0.69356E-04 4709 0.592E-02 0.922E-02 RMM: 5 -0.333784463352E+03 0.56863E-04 -0.95402E-05 3695 0.265E-02 0.685E-02 RMM: 6 -0.333784448555E+03 0.14797E-04 -0.27130E-05 2577 0.157E-02 9180 T= 7600. E= 0.67566040E+03 F= 0.62248454E+03 E0= 0.65087822E+03 EK= 0.61892E+02 SP= -.87E+01 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.334694062119E+03 -0.90960E+00 -0.13357E-01 7624 0.258E+01 0.310E-01 RMM: 2 -0.334725626539E+03 -0.31564E-01 -0.12505E-01 4928 0.842E-01 0.174E+00 RMM: 3 -0.334704155393E+03 0.21471E-01 -0.16136E-02 5380 0.298E-01 0.297E-01 RMM: 4 -0.334703533728E+03 0.62166E-03 -0.17181E-03 4914 0.852E-02 0.959E-02 RMM: 5 -0.334703486154E+03 0.47574E-04 -0.19656E-04 3920 0.350E-02 0.868E-02 RMM: 6 -0.334703442956E+03 0.43198E-04 -0.41945E-05 3000 0.195E-02 0.498E-02 RMM: 7 -0.334703452374E+03 -0.94178E-05 -0.27440E-05 2565 0.162E-02 9181 T= 7699. E= 0.67566075E+03 F= 0.62156554E+03 E0= 0.64995024E+03 EK= 0.62697E+02 SP= -.86E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335268628834E+03 -0.56519E+00 -0.13441E-01 7520 0.259E+01 0.247E-01 RMM: 2 -0.335290847288E+03 -0.22218E-01 -0.13911E-01 4846 0.868E-01 0.120E+00 RMM: 3 -0.335280634094E+03 0.10213E-01 -0.16208E-02 5492 0.270E-01 0.247E-01 RMM: 4 -0.335280161454E+03 0.47264E-03 -0.13248E-03 4822 0.780E-02 0.116E-01 RMM: 5 -0.335280115344E+03 0.46110E-04 -0.20240E-04 3931 0.385E-02 0.947E-02 RMM: 6 -0.335280056825E+03 0.58519E-04 -0.51455E-05 3199 0.209E-02 0.378E-02 RMM: 7 -0.335280063654E+03 -0.68295E-05 -0.20154E-05 2526 0.144E-02 9182 T= 7749. E= 0.67566262E+03 F= 0.62098893E+03 E0= 0.64937083E+03 EK= 0.63106E+02 SP= -.85E+01 SK= 0.56E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335532845048E+03 -0.25279E+00 -0.13049E-01 7704 0.258E+01 0.172E-01 RMM: 2 -0.335547897377E+03 -0.15052E-01 -0.11920E-01 4806 0.809E-01 0.792E-01 RMM: 3 -0.335543236161E+03 0.46612E-02 -0.13213E-02 5817 0.227E-01 0.137E-01 RMM: 4 -0.335542989227E+03 0.24693E-03 -0.64977E-04 4793 0.578E-02 0.100E-01 RMM: 5 -0.335542926370E+03 0.62858E-04 -0.97055E-05 3681 0.301E-02 0.617E-02 RMM: 6 -0.335542907449E+03 0.18920E-04 -0.28002E-05 2585 0.158E-02 9183 T= 7754. E= 0.67566599E+03 F= 0.62072608E+03 E0= 0.64910847E+03 EK= 0.63145E+02 SP= -.83E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.335521446795E+03 0.21480E-01 -0.14042E-01 7664 0.257E+01 0.167E-01 RMM: 2 -0.335539843696E+03 -0.18397E-01 -0.14311E-01 4748 0.896E-01 0.873E-01 RMM: 3 -0.335534299976E+03 0.55437E-02 -0.16211E-02 5860 0.241E-01 0.164E-01 RMM: 4 -0.335533911439E+03 0.38854E-03 -0.73672E-04 4830 0.624E-02 0.788E-02 RMM: 5 -0.335533875471E+03 0.35968E-04 -0.96196E-05 3799 0.293E-02 0.604E-02 RMM: 6 -0.335533861707E+03 0.13764E-04 -0.23261E-05 2525 0.148E-02 9184 T= 7719. E= 0.67567069E+03 F= 0.62073513E+03 E0= 0.64912117E+03 EK= 0.62857E+02 SP= -.81E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335298397391E+03 0.23548E+00 -0.13362E-01 7656 0.256E+01 0.296E-01 RMM: 2 -0.335326977209E+03 -0.28580E-01 -0.10545E-01 4789 0.809E-01 0.168E+00 RMM: 3 -0.335306874075E+03 0.20103E-01 -0.15245E-02 5386 0.294E-01 0.277E-01 RMM: 4 -0.335306294895E+03 0.57918E-03 -0.15665E-03 4948 0.823E-02 0.812E-02 RMM: 5 -0.335306277849E+03 0.17046E-04 -0.17311E-04 3979 0.312E-02 9185 T= 7650. E= 0.67567662E+03 F= 0.62096271E+03 E0= 0.64935353E+03 EK= 0.62298E+02 SP= -.78E+01 SK= 0.19E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334908932429E+03 0.39736E+00 -0.13842E-01 7624 0.254E+01 0.203E-01 RMM: 2 -0.334928390959E+03 -0.19459E-01 -0.11935E-01 4842 0.808E-01 0.109E+00 RMM: 3 -0.334919341967E+03 0.90490E-02 -0.13747E-02 5484 0.252E-01 0.218E-01 RMM: 4 -0.334918981673E+03 0.36029E-03 -0.10328E-03 4849 0.668E-02 0.885E-02 RMM: 5 -0.334918942017E+03 0.39656E-04 -0.11851E-04 3977 0.297E-02 0.693E-02 RMM: 6 -0.334918919435E+03 0.22582E-04 -0.24580E-05 2545 0.145E-02 0.547E-02 RMM: 7 -0.334918932167E+03 -0.12732E-04 -0.32143E-05 2715 0.165E-02 9186 T= 7556. E= 0.67568181E+03 F= 0.62135006E+03 E0= 0.64974778E+03 EK= 0.61531E+02 SP= -.74E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334418608881E+03 0.50031E+00 -0.12749E-01 7680 0.253E+01 0.193E-01 RMM: 2 -0.334431916816E+03 -0.13308E-01 -0.10391E-01 4699 0.785E-01 0.790E-01 RMM: 3 -0.334427501045E+03 0.44158E-02 -0.12393E-02 5737 0.224E-01 0.166E-01 RMM: 4 -0.334427297823E+03 0.20322E-03 -0.76689E-04 4693 0.649E-02 0.130E-01 RMM: 5 -0.334427245431E+03 0.52392E-04 -0.14926E-04 3843 0.340E-02 0.999E-02 RMM: 6 -0.334427181696E+03 0.63735E-04 -0.50734E-05 3206 0.214E-02 0.260E-02 RMM: 7 -0.334427189501E+03 -0.78054E-05 -0.16371E-05 2512 0.133E-02 9187 T= 7444. E= 0.67568646E+03 F= 0.62184180E+03 E0= 0.65024494E+03 EK= 0.60617E+02 SP= -.71E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333873471122E+03 0.55371E+00 -0.12965E-01 7896 0.251E+01 0.141E-01 RMM: 2 -0.333886950762E+03 -0.13480E-01 -0.11286E-01 4772 0.800E-01 0.678E-01 RMM: 3 -0.333883521453E+03 0.34293E-02 -0.12725E-02 5988 0.212E-01 0.122E-01 RMM: 4 -0.333883300404E+03 0.22105E-03 -0.55895E-04 4575 0.585E-02 0.960E-02 RMM: 5 -0.333883229079E+03 0.71326E-04 -0.83469E-05 3487 0.284E-02 0.501E-02 RMM: 6 -0.333883220299E+03 0.87794E-05 -0.23413E-05 2527 0.138E-02 9188 T= 7321. E= 0.67569070E+03 F= 0.62238577E+03 E0= 0.65079416E+03 EK= 0.59617E+02 SP= -.67E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333321369240E+03 0.56186E+00 -0.13333E-01 7760 0.249E+01 0.164E-01 RMM: 2 -0.333337084593E+03 -0.15715E-01 -0.11578E-01 4712 0.824E-01 0.860E-01 RMM: 3 -0.333331737918E+03 0.53467E-02 -0.13894E-02 5761 0.227E-01 0.151E-01 RMM: 4 -0.333331436524E+03 0.30139E-03 -0.65172E-04 4910 0.574E-02 0.739E-02 RMM: 5 -0.333331405946E+03 0.30578E-04 -0.88706E-05 3670 0.284E-02 0.612E-02 RMM: 6 -0.333331389336E+03 0.16611E-04 -0.26053E-05 2555 0.157E-02 9189 T= 7194. E= 0.67569401E+03 F= 0.62293760E+03 E0= 0.65135101E+03 EK= 0.58581E+02 SP= -.62E+01 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332798683732E+03 0.53272E+00 -0.12513E-01 7640 0.248E+01 0.308E-01 RMM: 2 -0.332828491498E+03 -0.29808E-01 -0.10175E-01 4843 0.793E-01 0.176E+00 RMM: 3 -0.332806711688E+03 0.21780E-01 -0.14806E-02 5367 0.289E-01 0.304E-01 RMM: 4 -0.332806038175E+03 0.67351E-03 -0.16274E-03 4937 0.842E-02 0.850E-02 RMM: 5 -0.332806037415E+03 0.75980E-06 -0.18830E-04 3981 0.307E-02 9190 T= 7067. E= 0.67569748E+03 F= 0.62346295E+03 E0= 0.65187983E+03 EK= 0.57550E+02 SP= -.58E+01 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332327328198E+03 0.47871E+00 -0.12251E-01 7744 0.246E+01 0.222E-01 RMM: 2 -0.332348176594E+03 -0.20848E-01 -0.88219E-02 4913 0.698E-01 0.136E+00 RMM: 3 -0.332334890306E+03 0.13286E-01 -0.11292E-02 5383 0.241E-01 0.243E-01 RMM: 4 -0.332334476776E+03 0.41353E-03 -0.10533E-03 4706 0.669E-02 0.877E-02 RMM: 5 -0.332334440887E+03 0.35890E-04 -0.12295E-04 3896 0.294E-02 0.748E-02 RMM: 6 -0.332334408375E+03 0.32512E-04 -0.28369E-05 2585 0.156E-02 0.492E-02 RMM: 7 -0.332334417473E+03 -0.90982E-05 -0.26152E-05 2625 0.154E-02 9191 T= 6945. E= 0.67570002E+03 F= 0.62393457E+03 E0= 0.65235461E+03 EK= 0.56558E+02 SP= -.53E+01 SK= 0.49E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331926788957E+03 0.40762E+00 -0.12731E-01 7816 0.245E+01 0.215E-01 RMM: 2 -0.331940673360E+03 -0.13884E-01 -0.85064E-02 4736 0.714E-01 0.102E+00 RMM: 3 -0.331933720690E+03 0.69527E-02 -0.10507E-02 5484 0.219E-01 0.175E-01 RMM: 4 -0.331933578873E+03 0.14182E-03 -0.83273E-04 4651 0.630E-02 0.132E-01 RMM: 5 -0.331933522488E+03 0.56385E-04 -0.14597E-04 3818 0.322E-02 0.973E-02 RMM: 6 -0.331933461426E+03 0.61062E-04 -0.48929E-05 3183 0.209E-02 0.217E-02 RMM: 7 -0.331933468976E+03 -0.75494E-05 -0.13104E-05 2498 0.119E-02 9192 T= 6831. E= 0.67570159E+03 F= 0.62433552E+03 E0= 0.65275703E+03 EK= 0.55626E+02 SP= -.48E+01 SK= 0.52E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331603310126E+03 0.33015E+00 -0.12542E-01 7816 0.243E+01 0.121E-01 RMM: 2 -0.331612597009E+03 -0.92869E-02 -0.84115E-02 4836 0.695E-01 0.508E-01 RMM: 3 -0.331610705493E+03 0.18915E-02 -0.93674E-03 5849 0.183E-01 0.104E-01 RMM: 4 -0.331610558050E+03 0.14744E-03 -0.37537E-04 4488 0.471E-02 0.940E-02 RMM: 5 -0.331610487705E+03 0.70345E-04 -0.59991E-05 3241 0.249E-02 0.489E-02 RMM: 6 -0.331610478031E+03 0.96743E-05 -0.21144E-05 2510 0.131E-02 9193 T= 6725. E= 0.67570237E+03 F= 0.62465851E+03 E0= 0.65307934E+03 EK= 0.54767E+02 SP= -.43E+01 SK= 0.54E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331356431177E+03 0.25406E+00 -0.12179E-01 7696 0.242E+01 0.155E-01 RMM: 2 -0.331369595879E+03 -0.13165E-01 -0.91105E-02 4707 0.738E-01 0.852E-01 RMM: 3 -0.331364510961E+03 0.50849E-02 -0.11242E-02 5664 0.208E-01 0.140E-01 RMM: 4 -0.331364286677E+03 0.22428E-03 -0.57520E-04 4760 0.531E-02 0.725E-02 RMM: 5 -0.331364261372E+03 0.25306E-04 -0.80613E-05 3544 0.271E-02 0.605E-02 RMM: 6 -0.331364242792E+03 0.18579E-04 -0.26149E-05 2555 0.153E-02 9194 T= 6629. E= 0.67570243E+03 F= 0.62490475E+03 E0= 0.65332356E+03 EK= 0.53983E+02 SP= -.37E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331180492841E+03 0.18377E+00 -0.12133E-01 7456 0.241E+01 0.345E-01 RMM: 2 -0.331211681133E+03 -0.31188E-01 -0.92518E-02 4763 0.780E-01 0.190E+00 RMM: 3 -0.331187173982E+03 0.24507E-01 -0.15948E-02 5347 0.309E-01 0.308E-01 RMM: 4 -0.331186501606E+03 0.67238E-03 -0.16995E-03 4928 0.842E-02 0.907E-02 RMM: 5 -0.331186518833E+03 -0.17227E-04 -0.21288E-04 3902 0.346E-02 0.115E-01 RMM: 6 -0.331186431798E+03 0.87036E-04 -0.54793E-05 3274 0.220E-02 0.361E-02 RMM: 7 -0.331186428378E+03 0.34193E-05 -0.14036E-05 2502 0.116E-02 9195 T= 6541. E= 0.67570222E+03 F= 0.62508256E+03 E0= 0.65349780E+03 EK= 0.53269E+02 SP= -.32E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331055359121E+03 0.13107E+00 -0.12598E-01 7592 0.240E+01 0.250E-01 RMM: 2 -0.331078390338E+03 -0.23031E-01 -0.97398E-02 4781 0.743E-01 0.146E+00 RMM: 3 -0.331063539020E+03 0.14851E-01 -0.13678E-02 5364 0.267E-01 0.247E-01 RMM: 4 -0.331063151000E+03 0.38802E-03 -0.13119E-03 4805 0.726E-02 0.105E-01 RMM: 5 -0.331063131332E+03 0.19668E-04 -0.17299E-04 3926 0.351E-02 9196 T= 6461. E= 0.67570266E+03 F= 0.62520586E+03 E0= 0.65361642E+03 EK= 0.52616E+02 SP= -.27E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330972697658E+03 0.90453E-01 -0.11375E-01 7616 0.238E+01 0.198E-01 RMM: 2 -0.330989536687E+03 -0.16839E-01 -0.82108E-02 4855 0.697E-01 0.120E+00 RMM: 3 -0.330979551633E+03 0.99851E-02 -0.10066E-02 5398 0.220E-01 0.186E-01 RMM: 4 -0.330979310511E+03 0.24112E-03 -0.78698E-04 4923 0.555E-02 0.678E-02 RMM: 5 -0.330979274797E+03 0.35713E-04 -0.87092E-05 3635 0.270E-02 0.598E-02 RMM: 6 -0.330979259016E+03 0.15782E-04 -0.28274E-05 2593 0.158E-02 9197 T= 6387. E= 0.67570347E+03 F= 0.62528973E+03 E0= 0.65369606E+03 EK= 0.52011E+02 SP= -.22E+01 SK= 0.56E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330918804491E+03 0.60470E-01 -0.10661E-01 7448 0.237E+01 0.247E-01 RMM: 2 -0.330942304126E+03 -0.23500E-01 -0.78128E-02 4773 0.683E-01 0.158E+00 RMM: 3 -0.330924878853E+03 0.17425E-01 -0.11425E-02 5368 0.251E-01 0.188E-01 RMM: 4 -0.330924673376E+03 0.20548E-03 -0.11103E-03 4730 0.655E-02 0.974E-02 RMM: 5 -0.330924632191E+03 0.41185E-04 -0.12694E-04 3858 0.293E-02 0.777E-02 RMM: 6 -0.330924594077E+03 0.38113E-04 -0.28441E-05 2775 0.162E-02 0.311E-02 RMM: 7 -0.330924593210E+03 0.86737E-06 -0.11242E-05 2486 0.112E-02 9198 T= 6317. E= 0.67570390E+03 F= 0.62534440E+03 E0= 0.65374717E+03 EK= 0.51444E+02 SP= -.16E+01 SK= 0.55E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330890677333E+03 0.33917E-01 -0.10398E-01 7600 0.235E+01 0.306E-01 RMM: 2 -0.330919775941E+03 -0.29099E-01 -0.83218E-02 4923 0.723E-01 0.181E+00 RMM: 3 -0.330896859104E+03 0.22917E-01 -0.12887E-02 5363 0.272E-01 0.262E-01 RMM: 4 -0.330896375657E+03 0.48345E-03 -0.14496E-03 4770 0.799E-02 0.935E-02 RMM: 5 -0.330896394799E+03 -0.19142E-04 -0.18835E-04 3885 0.335E-02 9199 T= 6253. E= 0.67570571E+03 F= 0.62537259E+03 E0= 0.65377349E+03 EK= 0.50917E+02 SP= -.11E+01 SK= 0.53E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330893355515E+03 0.30201E-02 -0.10384E-01 7608 0.234E+01 0.180E-01 RMM: 2 -0.330908532345E+03 -0.15177E-01 -0.88743E-02 4840 0.715E-01 0.104E+00 RMM: 3 -0.330901008561E+03 0.75238E-02 -0.10711E-02 5558 0.212E-01 0.164E-01 RMM: 4 -0.330900776091E+03 0.23247E-03 -0.70725E-04 5006 0.533E-02 0.698E-02 RMM: 5 -0.330900731636E+03 0.44456E-04 -0.79340E-05 3555 0.251E-02 0.547E-02 RMM: 6 -0.330900720320E+03 0.11315E-04 -0.25445E-05 2541 0.150E-02 9200 T= 6194. E= 0.67570774E+03 F= 0.62536827E+03 E0= 0.65376885E+03 EK= 0.50437E+02 SP= -.60E+00 SK= 0.51E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330943067810E+03 -0.42336E-01 -0.99613E-02 7552 0.232E+01 0.211E-01 RMM: 2 -0.330959034101E+03 -0.15966E-01 -0.85439E-02 4817 0.701E-01 0.113E+00 RMM: 3 -0.330950086043E+03 0.89481E-02 -0.10768E-02 5472 0.221E-01 0.164E-01 RMM: 4 -0.330949905005E+03 0.18104E-03 -0.87244E-04 4779 0.596E-02 0.969E-02 RMM: 5 -0.330949866329E+03 0.38676E-04 -0.11561E-04 3813 0.274E-02 0.734E-02 RMM: 6 -0.330949831502E+03 0.34827E-04 -0.27844E-05 2768 0.160E-02 0.253E-02 RMM: 7 -0.330949833753E+03 -0.22512E-05 -0.10635E-05 2483 0.106E-02 9201 T= 6142. E= 0.67570911E+03 F= 0.62531916E+03 E0= 0.65372204E+03 EK= 0.50017E+02 SP= -.11E+00 SK= 0.48E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331050483876E+03 -0.10065E+00 -0.98514E-02 7536 0.231E+01 0.270E-01 RMM: 2 -0.331071078075E+03 -0.20594E-01 -0.93494E-02 4930 0.754E-01 0.139E+00 RMM: 3 -0.331057956532E+03 0.13122E-01 -0.12451E-02 5422 0.250E-01 0.247E-01 RMM: 4 -0.331057508573E+03 0.44796E-03 -0.12157E-03 4702 0.718E-02 0.901E-02 RMM: 5 -0.331057496195E+03 0.12378E-04 -0.16696E-04 3883 0.328E-02 9202 T= 6100. E= 0.67571126E+03 F= 0.62521149E+03 E0= 0.65361860E+03 EK= 0.49672E+02 SP= 0.37E+00 SK= 0.45E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331226185004E+03 -0.16868E+00 -0.94791E-02 7584 0.230E+01 0.127E-01 RMM: 2 -0.331236705311E+03 -0.10520E-01 -0.85833E-02 4986 0.686E-01 0.638E-01 RMM: 3 -0.331233835699E+03 0.28696E-02 -0.95087E-03 5882 0.175E-01 0.125E-01 RMM: 4 -0.331233606319E+03 0.22938E-03 -0.40572E-04 4578 0.451E-02 0.637E-02 RMM: 5 -0.331233571715E+03 0.34604E-04 -0.52098E-05 2938 0.215E-02 0.547E-02 RMM: 6 -0.331233564257E+03 0.74575E-05 -0.28192E-05 2694 0.159E-02 9203 T= 6068. E= 0.67571238E+03 F= 0.62503543E+03 E0= 0.65344952E+03 EK= 0.49412E+02 SP= 0.84E+00 SK= 0.42E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331470706851E+03 -0.23714E+00 -0.96570E-02 7480 0.229E+01 0.259E-01 RMM: 2 -0.331494610052E+03 -0.23903E-01 -0.92437E-02 4907 0.734E-01 0.154E+00 RMM: 3 -0.331478039366E+03 0.16571E-01 -0.12242E-02 5416 0.249E-01 0.208E-01 RMM: 4 -0.331477743194E+03 0.29617E-03 -0.11913E-03 4808 0.680E-02 0.846E-02 RMM: 5 -0.331477740835E+03 0.23591E-05 -0.14529E-04 3878 0.287E-02 9204 T= 6046. E= 0.67571244E+03 F= 0.62479125E+03 E0= 0.65321458E+03 EK= 0.49237E+02 SP= 0.13E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331772175468E+03 -0.29443E+00 -0.95947E-02 7512 0.229E+01 0.258E-01 RMM: 2 -0.331797071461E+03 -0.24896E-01 -0.98507E-02 5049 0.747E-01 0.156E+00 RMM: 3 -0.331780286526E+03 0.16785E-01 -0.12708E-02 5414 0.251E-01 0.260E-01 RMM: 4 -0.331779785070E+03 0.50146E-03 -0.12593E-03 4787 0.725E-02 0.775E-02 RMM: 5 -0.331779757054E+03 0.28016E-04 -0.15162E-04 3953 0.305E-02 0.802E-02 RMM: 6 -0.331779712674E+03 0.44381E-04 -0.29128E-05 2692 0.159E-02 0.423E-02 RMM: 7 -0.331779711889E+03 0.78441E-06 -0.20245E-05 2532 0.137E-02 9205 T= 6034. E= 0.67571208E+03 F= 0.62448928E+03 E0= 0.65292337E+03 EK= 0.49136E+02 SP= 0.17E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332115805683E+03 -0.33609E+00 -0.10217E-01 7528 0.229E+01 0.183E-01 RMM: 2 -0.332129888999E+03 -0.14083E-01 -0.10258E-01 4856 0.748E-01 0.872E-01 RMM: 3 -0.332124585678E+03 0.53033E-02 -0.11695E-02 5755 0.205E-01 0.160E-01 RMM: 4 -0.332124300133E+03 0.28554E-03 -0.68096E-04 4819 0.567E-02 0.853E-02 RMM: 5 -0.332124270098E+03 0.30035E-04 -0.96275E-05 3659 0.255E-02 0.682E-02 RMM: 6 -0.332124240346E+03 0.29752E-04 -0.25857E-05 2685 0.157E-02 0.217E-02 RMM: 7 -0.332124243616E+03 -0.32699E-05 -0.10497E-05 2480 0.102E-02 9206 T= 6029. E= 0.67571090E+03 F= 0.62414475E+03 E0= 0.65259114E+03 EK= 0.49093E+02 SP= 0.21E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332488036386E+03 -0.36380E+00 -0.98400E-02 7592 0.230E+01 0.165E-01 RMM: 2 -0.332498827515E+03 -0.10791E-01 -0.87341E-02 5072 0.695E-01 0.692E-01 RMM: 3 -0.332495494821E+03 0.33327E-02 -0.94047E-03 5869 0.180E-01 0.135E-01 RMM: 4 -0.332495296505E+03 0.19832E-03 -0.48068E-04 4478 0.508E-02 0.110E-01 RMM: 5 -0.332495203830E+03 0.92675E-04 -0.85141E-05 3571 0.253E-02 0.568E-02 RMM: 6 -0.332495186062E+03 0.17768E-04 -0.23135E-05 2562 0.142E-02 9207 T= 6029. E= 0.67571037E+03 F= 0.62377380E+03 E0= 0.65223263E+03 EK= 0.49095E+02 SP= 0.25E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332873532731E+03 -0.37833E+00 -0.10057E-01 7664 0.229E+01 0.175E-01 RMM: 2 -0.332887048102E+03 -0.13515E-01 -0.85190E-02 5091 0.682E-01 0.939E-01 RMM: 3 -0.332880817313E+03 0.62308E-02 -0.92754E-03 5667 0.191E-01 0.161E-01 RMM: 4 -0.332880573661E+03 0.24365E-03 -0.57846E-04 4713 0.510E-02 0.773E-02 RMM: 5 -0.332880531674E+03 0.41986E-04 -0.78143E-05 3623 0.233E-02 0.598E-02 RMM: 6 -0.332880515980E+03 0.15695E-04 -0.22953E-05 2561 0.140E-02 9208 T= 6033. E= 0.67571041E+03 F= 0.62338847E+03 E0= 0.65185937E+03 EK= 0.49129E+02 SP= 0.29E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333270038606E+03 -0.38951E+00 -0.10123E-01 7544 0.230E+01 0.310E-01 RMM: 2 -0.333300074400E+03 -0.30036E-01 -0.90806E-02 5128 0.731E-01 0.183E+00 RMM: 3 -0.333276764296E+03 0.23310E-01 -0.13443E-02 5401 0.277E-01 0.255E-01 RMM: 4 -0.333276298478E+03 0.46582E-03 -0.14533E-03 4752 0.764E-02 0.885E-02 RMM: 5 -0.333276275609E+03 0.22870E-04 -0.16368E-04 3900 0.317E-02 0.906E-02 RMM: 6 -0.333276221940E+03 0.53668E-04 -0.35029E-05 2928 0.180E-02 0.392E-02 RMM: 7 -0.333276224014E+03 -0.20737E-05 -0.17204E-05 2510 0.131E-02 9209 T= 6040. E= 0.67571053E+03 F= 0.62299277E+03 E0= 0.65147391E+03 EK= 0.49189E+02 SP= 0.33E+01 SK= 0.25E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333676350552E+03 -0.40013E+00 -0.10245E-01 7848 0.230E+01 0.274E-01 RMM: 2 -0.333696734741E+03 -0.20384E-01 -0.92705E-02 5122 0.725E-01 0.137E+00 RMM: 3 -0.333683746528E+03 0.12988E-01 -0.11709E-02 5422 0.245E-01 0.294E-01 RMM: 4 -0.333683153494E+03 0.59303E-03 -0.13882E-03 4707 0.805E-02 0.106E-01 RMM: 5 -0.333683171082E+03 -0.17588E-04 -0.20177E-04 3880 0.358E-02 0.123E-01 RMM: 6 -0.333683066238E+03 0.10484E-03 -0.50424E-05 3225 0.212E-02 0.301E-02 RMM: 7 -0.333683064167E+03 0.20709E-05 -0.14986E-05 2495 0.119E-02 9210 T= 6051. E= 0.67571073E+03 F= 0.62258593E+03 E0= 0.65107464E+03 EK= 0.49276E+02 SP= 0.36E+01 SK= 0.23E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334093020437E+03 -0.40995E+00 -0.10620E-01 7896 0.229E+01 0.201E-01 RMM: 2 -0.334109227033E+03 -0.16207E-01 -0.95237E-02 5108 0.713E-01 0.108E+00 RMM: 3 -0.334100949006E+03 0.82780E-02 -0.10115E-02 5606 0.207E-01 0.164E-01 RMM: 4 -0.334100715296E+03 0.23371E-03 -0.70523E-04 4803 0.552E-02 0.880E-02 RMM: 5 -0.334100660013E+03 0.55283E-04 -0.93074E-05 3749 0.257E-02 0.616E-02 RMM: 6 -0.334100637603E+03 0.22411E-04 -0.23912E-05 2562 0.143E-02 0.411E-02 RMM: 7 -0.334100637223E+03 0.37994E-06 -0.22060E-05 2538 0.138E-02 9211 T= 6065. E= 0.67571033E+03 F= 0.62216835E+03 E0= 0.65066080E+03 EK= 0.49389E+02 SP= 0.39E+01 SK= 0.20E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334516398487E+03 -0.41576E+00 -0.10698E-01 7976 0.229E+01 0.185E-01 RMM: 2 -0.334530135118E+03 -0.13737E-01 -0.94144E-02 5043 0.709E-01 0.909E-01 RMM: 3 -0.334524368959E+03 0.57662E-02 -0.10136E-02 5808 0.196E-01 0.171E-01 RMM: 4 -0.334524084460E+03 0.28450E-03 -0.65123E-04 4662 0.575E-02 0.904E-02 RMM: 5 -0.334524049434E+03 0.35026E-04 -0.94270E-05 3609 0.257E-02 0.708E-02 RMM: 6 -0.334524019196E+03 0.30239E-04 -0.24417E-05 2600 0.155E-02 0.306E-02 RMM: 7 -0.334524021080E+03 -0.18839E-05 -0.12791E-05 2488 0.111E-02 9212 T= 6081. E= 0.67570858E+03 F= 0.62174497E+03 E0= 0.65023688E+03 EK= 0.49521E+02 SP= 0.43E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334927803748E+03 -0.40378E+00 -0.11352E-01 7760 0.229E+01 0.153E-01 RMM: 2 -0.334940904579E+03 -0.13101E-01 -0.11684E-01 4886 0.790E-01 0.607E-01 RMM: 3 -0.334938066255E+03 0.28383E-02 -0.12757E-02 6104 0.203E-01 0.121E-01 RMM: 4 -0.334937833683E+03 0.23257E-03 -0.55898E-04 4584 0.587E-02 0.119E-01 RMM: 5 -0.334937737291E+03 0.96392E-04 -0.91449E-05 3573 0.283E-02 0.546E-02 RMM: 6 -0.334937722119E+03 0.15172E-04 -0.23348E-05 2544 0.143E-02 9213 T= 6098. E= 0.67570679E+03 F= 0.62133127E+03 E0= 0.64981749E+03 EK= 0.49657E+02 SP= 0.46E+01 SK= 0.16E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335309389714E+03 -0.37165E+00 -0.11384E-01 7792 0.229E+01 0.185E-01 RMM: 2 -0.335325257964E+03 -0.15868E-01 -0.10864E-01 5034 0.746E-01 0.934E-01 RMM: 3 -0.335318632810E+03 0.66252E-02 -0.11605E-02 5726 0.212E-01 0.134E-01 RMM: 4 -0.335318418082E+03 0.21473E-03 -0.64581E-04 4883 0.536E-02 0.882E-02 RMM: 5 -0.335318366089E+03 0.51992E-04 -0.77174E-05 3636 0.246E-02 0.579E-02 RMM: 6 -0.335318353916E+03 0.12174E-04 -0.22330E-05 2540 0.140E-02 9214 T= 6112. E= 0.67570426E+03 F= 0.62095064E+03 E0= 0.64942588E+03 EK= 0.49774E+02 SP= 0.48E+01 SK= 0.15E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335628661225E+03 -0.31030E+00 -0.11517E-01 7824 0.229E+01 0.344E-01 RMM: 2 -0.335664000928E+03 -0.35340E-01 -0.11880E-01 4926 0.818E-01 0.194E+00 RMM: 3 -0.335637936014E+03 0.26065E-01 -0.17029E-02 5418 0.305E-01 0.319E-01 RMM: 4 -0.335637196353E+03 0.73966E-03 -0.18562E-03 4882 0.877E-02 0.103E-01 RMM: 5 -0.335637189341E+03 0.70128E-05 -0.22244E-04 3918 0.360E-02 0.110E-01 RMM: 6 -0.335637109540E+03 0.79801E-04 -0.47540E-05 3122 0.203E-02 0.429E-02 RMM: 7 -0.335637114499E+03 -0.49588E-05 -0.23312E-05 2559 0.150E-02 9215 T= 6120. E= 0.67570150E+03 F= 0.62063187E+03 E0= 0.64909095E+03 EK= 0.49841E+02 SP= 0.51E+01 SK= 0.13E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335859775340E+03 -0.22267E+00 -0.11646E-01 7984 0.229E+01 0.255E-01 RMM: 2 -0.335882406649E+03 -0.22631E-01 -0.11395E-01 4950 0.755E-01 0.135E+00 RMM: 3 -0.335869053534E+03 0.13353E-01 -0.13222E-02 5409 0.257E-01 0.253E-01 RMM: 4 -0.335868643105E+03 0.41043E-03 -0.13809E-03 4790 0.786E-02 0.113E-01 RMM: 5 -0.335868641432E+03 0.16729E-05 -0.18701E-04 3919 0.344E-02 9216 T= 6120. E= 0.67570046E+03 F= 0.62040035E+03 E0= 0.64883859E+03 EK= 0.49837E+02 SP= 0.53E+01 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335990523265E+03 -0.12188E+00 -0.12196E-01 8080 0.229E+01 0.183E-01 RMM: 2 -0.336008827638E+03 -0.18304E-01 -0.12756E-01 5147 0.771E-01 0.985E-01 RMM: 3 -0.336001285386E+03 0.75423E-02 -0.12169E-02 5756 0.219E-01 0.168E-01 RMM: 4 -0.336000994063E+03 0.29132E-03 -0.70748E-04 4873 0.562E-02 0.924E-02 RMM: 5 -0.336000928840E+03 0.65223E-04 -0.85918E-05 3754 0.243E-02 0.704E-02 RMM: 6 -0.336000913178E+03 0.15662E-04 -0.33783E-05 2774 0.173E-02 9217 T= 6109. E= 0.67570081E+03 F= 0.62026808E+03 E0= 0.64868085E+03 EK= 0.49749E+02 SP= 0.56E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336035104201E+03 -0.34175E-01 -0.13048E-01 7784 0.229E+01 0.318E-01 RMM: 2 -0.336075079684E+03 -0.39975E-01 -0.15446E-01 4798 0.886E-01 0.195E+00 RMM: 3 -0.336047438879E+03 0.27641E-01 -0.19244E-02 5409 0.314E-01 0.258E-01 RMM: 4 -0.336046995221E+03 0.44366E-03 -0.20258E-03 5110 0.866E-02 0.114E-01 RMM: 5 -0.336046948212E+03 0.47009E-04 -0.20514E-04 4015 0.340E-02 0.983E-02 RMM: 6 -0.336046884158E+03 0.64054E-04 -0.43446E-05 3070 0.195E-02 0.406E-02 RMM: 7 -0.336046884916E+03 -0.75780E-06 -0.17607E-05 2516 0.134E-02 9218 T= 6090. E= 0.67570293E+03 F= 0.62022210E+03 E0= 0.64860756E+03 EK= 0.49591E+02 SP= 0.58E+01 SK= 0.90E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336041966734E+03 0.49174E-02 -0.13412E-01 8120 0.229E+01 0.378E-01 RMM: 2 -0.336092424989E+03 -0.50458E-01 -0.17459E-01 4818 0.961E-01 0.227E+00 RMM: 3 -0.336055872796E+03 0.36552E-01 -0.24035E-02 5438 0.353E-01 0.336E-01 RMM: 4 -0.336055010803E+03 0.86199E-03 -0.25096E-03 5299 0.100E-01 0.116E-01 RMM: 5 -0.336054982025E+03 0.28778E-04 -0.27692E-04 3962 0.363E-02 0.120E-01 RMM: 6 -0.336054883486E+03 0.98539E-04 -0.59450E-05 3319 0.220E-02 0.499E-02 RMM: 7 -0.336054882698E+03 0.78866E-06 -0.22973E-05 2565 0.139E-02 9219 T= 6068. E= 0.67570801E+03 F= 0.62021411E+03 E0= 0.64857297E+03 EK= 0.49413E+02 SP= 0.60E+01 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336099462141E+03 -0.44579E-01 -0.14022E-01 8376 0.228E+01 0.315E-01 RMM: 2 -0.336134369098E+03 -0.34907E-01 -0.17327E-01 4819 0.956E-01 0.170E+00 RMM: 3 -0.336114228782E+03 0.20140E-01 -0.20735E-02 5526 0.311E-01 0.342E-01 RMM: 4 -0.336113311477E+03 0.91731E-03 -0.19591E-03 5098 0.927E-02 0.102E-01 RMM: 5 -0.336113300099E+03 0.11378E-04 -0.24526E-04 4084 0.333E-02 0.106E-01 RMM: 6 -0.336113228265E+03 0.71834E-04 -0.43130E-05 3054 0.193E-02 0.543E-02 RMM: 7 -0.336113237920E+03 -0.96553E-05 -0.31413E-05 2760 0.167E-02 9220 T= 6054. E= 0.67571441E+03 F= 0.62015575E+03 E0= 0.64849217E+03 EK= 0.49303E+02 SP= 0.62E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336317002932E+03 -0.20377E+00 -0.13970E-01 8512 0.228E+01 0.289E-01 RMM: 2 -0.336347275306E+03 -0.30272E-01 -0.17413E-01 4915 0.944E-01 0.146E+00 RMM: 3 -0.336331768745E+03 0.15507E-01 -0.19437E-02 5597 0.289E-01 0.298E-01 RMM: 4 -0.336331025355E+03 0.74339E-03 -0.16224E-03 4918 0.856E-02 0.107E-01 RMM: 5 -0.336331019548E+03 0.58072E-05 -0.22907E-04 3932 0.359E-02 0.112E-01 RMM: 6 -0.336330936442E+03 0.83106E-04 -0.52165E-05 3221 0.211E-02 0.460E-02 RMM: 7 -0.336330940214E+03 -0.37719E-05 -0.21783E-05 2553 0.143E-02 9221 T= 6062. E= 0.67571909E+03 F= 0.61993805E+03 E0= 0.64825837E+03 EK= 0.49367E+02 SP= 0.64E+01 SK= 0.53E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.336770979683E+03 -0.44004E+00 -0.15329E-01 8552 0.227E+01 0.242E-01 RMM: 2 -0.336796524772E+03 -0.25545E-01 -0.18733E-01 4893 0.968E-01 0.111E+00 RMM: 3 -0.336787330799E+03 0.91940E-02 -0.19317E-02 5801 0.271E-01 0.254E-01 RMM: 4 -0.336786680754E+03 0.65004E-03 -0.12154E-03 4954 0.754E-02 0.971E-02 RMM: 5 -0.336786646637E+03 0.34117E-04 -0.17193E-04 3928 0.327E-02 0.932E-02 RMM: 6 -0.336786595483E+03 0.51154E-04 -0.40980E-05 3037 0.188E-02 0.493E-02 RMM: 7 -0.336786605757E+03 -0.10274E-04 -0.32240E-05 2698 0.170E-02 9222 T= 6100. E= 0.67571821E+03 F= 0.61948238E+03 E0= 0.64779584E+03 EK= 0.49678E+02 SP= 0.65E+01 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337460524556E+03 -0.67393E+00 -0.15038E-01 8888 0.228E+01 0.218E-01 RMM: 2 -0.337484033067E+03 -0.23509E-01 -0.17347E-01 5113 0.892E-01 0.105E+00 RMM: 3 -0.337475244796E+03 0.87883E-02 -0.15504E-02 5878 0.242E-01 0.216E-01 RMM: 4 -0.337474759214E+03 0.48558E-03 -0.99755E-04 4802 0.691E-02 0.104E-01 RMM: 5 -0.337474718092E+03 0.41123E-04 -0.14810E-04 3893 0.306E-02 0.877E-02 RMM: 6 -0.337474674963E+03 0.43129E-04 -0.34890E-05 2921 0.176E-02 0.508E-02 RMM: 7 -0.337474688730E+03 -0.13767E-04 -0.30187E-05 2658 0.162E-02 9223 T= 6168. E= 0.67571038E+03 F= 0.61879430E+03 E0= 0.64711107E+03 EK= 0.50227E+02 SP= 0.67E+01 SK= 0.35E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338277178547E+03 -0.80250E+00 -0.17772E-01 9000 0.230E+01 0.206E-01 RMM: 2 -0.338300991778E+03 -0.23813E-01 -0.19058E-01 5611 0.902E-01 0.953E-01 RMM: 3 -0.338293750726E+03 0.72411E-02 -0.13567E-02 5658 0.238E-01 0.205E-01 RMM: 4 -0.338293398813E+03 0.35191E-03 -0.97414E-04 5079 0.632E-02 0.108E-01 RMM: 5 -0.338293330065E+03 0.68749E-04 -0.11400E-04 3899 0.267E-02 0.881E-02 RMM: 6 -0.338293301410E+03 0.28655E-04 -0.31117E-05 2785 0.169E-02 0.683E-02 RMM: 7 -0.338293310331E+03 -0.89208E-05 -0.71484E-05 3485 0.215E-02 9224 T= 6252. E= 0.67569849E+03 F= 0.61797568E+03 E0= 0.64630695E+03 EK= 0.50914E+02 SP= 0.68E+01 SK= 0.29E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339065723313E+03 -0.77242E+00 -0.22676E-01 9112 0.233E+01 0.211E-01 RMM: 2 -0.339091775191E+03 -0.26052E-01 -0.21535E-01 5826 0.951E-01 0.938E-01 RMM: 3 -0.339084771186E+03 0.70040E-02 -0.12723E-02 5732 0.232E-01 0.223E-01 RMM: 4 -0.339084353425E+03 0.41776E-03 -0.94604E-04 4814 0.664E-02 0.123E-01 RMM: 5 -0.339084274982E+03 0.78444E-04 -0.12660E-04 3974 0.276E-02 0.886E-02 RMM: 6 -0.339084254080E+03 0.20902E-04 -0.25114E-05 2626 0.153E-02 0.770E-02 RMM: 7 -0.339084270872E+03 -0.16792E-04 -0.55384E-05 3183 0.197E-02 9225 T= 6334. E= 0.67568761E+03 F= 0.61718472E+03 E0= 0.64554187E+03 EK= 0.51582E+02 SP= 0.69E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339677675557E+03 -0.59342E+00 -0.28238E-01 9008 0.234E+01 0.248E-01 RMM: 2 -0.339709001596E+03 -0.31326E-01 -0.24934E-01 5779 0.100E+00 0.110E+00 RMM: 3 -0.339699306950E+03 0.96946E-02 -0.15064E-02 5547 0.263E-01 0.236E-01 RMM: 4 -0.339698929645E+03 0.37731E-03 -0.13041E-03 5196 0.695E-02 0.124E-01 RMM: 5 -0.339698849107E+03 0.80538E-04 -0.12927E-04 4171 0.274E-02 0.103E-01 RMM: 6 -0.339698821737E+03 0.27370E-04 -0.27686E-05 2654 0.159E-02 0.887E-02 RMM: 7 -0.339698836163E+03 -0.14426E-04 -0.97301E-05 3775 0.240E-02 9226 T= 6396. E= 0.67568055E+03 F= 0.61657015E+03 E0= 0.64496449E+03 EK= 0.52082E+02 SP= 0.70E+01 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340017112330E+03 -0.31829E+00 -0.35672E-01 8992 0.235E+01 0.253E-01 RMM: 2 -0.340054512151E+03 -0.37400E-01 -0.27840E-01 5829 0.104E+00 0.129E+00 RMM: 3 -0.340041419009E+03 0.13093E-01 -0.15843E-02 5555 0.266E-01 0.283E-01 RMM: 4 -0.340040850754E+03 0.56825E-03 -0.14081E-03 4831 0.775E-02 0.130E-01 RMM: 5 -0.340040782835E+03 0.67920E-04 -0.18391E-04 4302 0.309E-02 0.104E-01 RMM: 6 -0.340040752671E+03 0.30164E-04 -0.31003E-05 2815 0.166E-02 0.904E-02 RMM: 7 -0.340040780598E+03 -0.27927E-04 -0.61416E-05 3333 0.210E-02 0.117E-01 RMM: 8 -0.340040703220E+03 0.77378E-04 -0.11890E-04 3897 0.262E-02 0.503E-02 RMM: 9 -0.340040694073E+03 0.91461E-05 -0.29191E-05 2736 0.150E-02 9227 T= 6424. E= 0.67567815E+03 F= 0.61622830E+03 E0= 0.64466969E+03 EK= 0.52317E+02 SP= 0.71E+01 SK= 0.22E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.340047759713E+03 -0.70565E-02 -0.46185E-01 8960 0.234E+01 0.233E-01 RMM: 2 -0.340086091771E+03 -0.38332E-01 -0.31327E-01 5997 0.108E+00 0.112E+00 RMM: 3 -0.340075133818E+03 0.10958E-01 -0.17713E-02 5635 0.266E-01 0.186E-01 RMM: 4 -0.340074933517E+03 0.20030E-03 -0.13353E-03 4852 0.770E-02 0.188E-01 RMM: 5 -0.340074710390E+03 0.22313E-03 -0.21309E-04 3979 0.352E-02 0.898E-02 RMM: 6 -0.340074684121E+03 0.26269E-04 -0.50396E-05 3173 0.204E-02 0.730E-02 RMM: 7 -0.340074709615E+03 -0.25495E-04 -0.64148E-05 3414 0.208E-02 0.102E-01 RMM: 8 -0.340074646058E+03 0.63558E-04 -0.71351E-05 3566 0.216E-02 0.327E-02 RMM: 9 -0.340074647423E+03 -0.13653E-05 -0.17670E-05 2525 0.120E-02 9228 T= 6416. E= 0.67567962E+03 F= 0.61619434E+03 E0= 0.64469030E+03 EK= 0.52250E+02 SP= 0.72E+01 SK= 0.21E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339786653187E+03 0.28799E+00 -0.56448E-01 8920 0.233E+01 0.210E-01 RMM: 2 -0.339823684398E+03 -0.37031E-01 -0.31645E-01 6472 0.106E+00 0.988E-01 RMM: 3 -0.339814704656E+03 0.89797E-02 -0.14932E-02 5596 0.239E-01 0.204E-01 RMM: 4 -0.339814342854E+03 0.36180E-03 -0.10809E-03 4897 0.666E-02 0.133E-01 RMM: 5 -0.339814247866E+03 0.94988E-04 -0.14084E-04 3960 0.282E-02 0.931E-02 RMM: 6 -0.339814221280E+03 0.26586E-04 -0.29207E-05 2773 0.162E-02 0.791E-02 RMM: 7 -0.339814235014E+03 -0.13734E-04 -0.98754E-05 3810 0.241E-02 9229 T= 6373. E= 0.67568226E+03 F= 0.61645475E+03 E0= 0.64500875E+03 EK= 0.51895E+02 SP= 0.73E+01 SK= 0.19E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.339269801152E+03 0.54442E+00 -0.66550E-01 8896 0.231E+01 0.216E-01 RMM: 2 -0.339307178115E+03 -0.37377E-01 -0.32625E-01 6652 0.107E+00 0.944E-01 RMM: 3 -0.339298940326E+03 0.82378E-02 -0.12777E-02 5548 0.236E-01 0.197E-01 RMM: 4 -0.339298672138E+03 0.26819E-03 -0.10285E-03 4922 0.630E-02 0.129E-01 RMM: 5 -0.339298580000E+03 0.92138E-04 -0.11807E-04 3920 0.269E-02 0.885E-02 RMM: 6 -0.339298570433E+03 0.95675E-05 -0.32992E-05 2860 0.172E-02 9230 T= 6298. E= 0.67568491E+03 F= 0.61697042E+03 E0= 0.64558141E+03 EK= 0.51289E+02 SP= 0.74E+01 SK= 0.17E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.338543998236E+03 0.75458E+00 -0.75714E-01 8808 0.228E+01 0.382E-01 RMM: 2 -0.338603764852E+03 -0.59767E-01 -0.35930E-01 6021 0.114E+00 0.197E+00 RMM: 3 -0.338575042042E+03 0.28723E-01 -0.23464E-02 5406 0.350E-01 0.435E-01 RMM: 4 -0.338573754777E+03 0.12873E-02 -0.26410E-03 5293 0.102E-01 0.139E-01 RMM: 5 -0.338573682987E+03 0.71790E-04 -0.30395E-04 4227 0.346E-02 0.122E-01 RMM: 6 -0.338573617842E+03 0.65145E-04 -0.55563E-05 3234 0.207E-02 0.909E-02 RMM: 7 -0.338573674085E+03 -0.56243E-04 -0.87611E-05 3729 0.241E-02 0.132E-01 RMM: 8 -0.338573588660E+03 0.85425E-04 -0.16727E-04 3893 0.288E-02 0.790E-02 RMM: 9 -0.338573550227E+03 0.38433E-04 -0.32937E-05 2813 0.155E-02 0.242E-02 RMM: 10 -0.338573559048E+03 -0.88213E-05 -0.13094E-05 2489 0.108E-02 9231 T= 6199. E= 0.67568705E+03 F= 0.61769543E+03 E0= 0.64635754E+03 EK= 0.50482E+02 SP= 0.75E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.337645995071E+03 0.92756E+00 -0.78591E-01 8808 0.226E+01 0.399E-01 RMM: 2 -0.337702098072E+03 -0.56103E-01 -0.35673E-01 5922 0.113E+00 0.185E+00 RMM: 3 -0.337676849621E+03 0.25248E-01 -0.20362E-02 5437 0.321E-01 0.394E-01 RMM: 4 -0.337675966100E+03 0.88352E-03 -0.28502E-03 5317 0.115E-01 0.222E-01 RMM: 5 -0.337675959281E+03 0.68192E-05 -0.52381E-04 4380 0.539E-02 0.225E-01 RMM: 6 -0.337675626158E+03 0.33312E-03 -0.19289E-04 3881 0.372E-02 0.561E-02 RMM: 7 -0.337675651038E+03 -0.24880E-04 -0.62129E-05 3398 0.209E-02 0.839E-02 RMM: 8 -0.337675624554E+03 0.26484E-04 -0.44608E-05 3000 0.192E-02 0.524E-02 RMM: 9 -0.337675608911E+03 0.15643E-04 -0.17483E-05 2517 0.125E-02 9232 T= 6080. E= 0.67568845E+03 F= 0.61859338E+03 E0= 0.64729625E+03 EK= 0.49514E+02 SP= 0.76E+01 SK= 0.92E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.336601769888E+03 0.10739E+01 -0.76941E-01 8824 0.224E+01 0.217E-01 RMM: 2 -0.336636843937E+03 -0.35074E-01 -0.31613E-01 6771 0.105E+00 0.818E-01 RMM: 3 -0.336630815072E+03 0.60289E-02 -0.10422E-02 5527 0.219E-01 0.183E-01 RMM: 4 -0.336630713533E+03 0.10154E-03 -0.91866E-04 4833 0.650E-02 0.168E-01 RMM: 5 -0.336630530905E+03 0.18263E-03 -0.15401E-04 3919 0.318E-02 0.856E-02 RMM: 6 -0.336630501882E+03 0.29023E-04 -0.44111E-05 3070 0.195E-02 0.638E-02 RMM: 7 -0.336630521611E+03 -0.19729E-04 -0.73878E-05 3626 0.223E-02 9233 T= 5945. E= 0.67568899E+03 F= 0.61963847E+03 E0= 0.64836898E+03 EK= 0.48415E+02 SP= 0.76E+01 SK= 0.48E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.335434794812E+03 0.11957E+01 -0.71319E-01 8936 0.222E+01 0.220E-01 RMM: 2 -0.335467627948E+03 -0.32833E-01 -0.30004E-01 6646 0.104E+00 0.768E-01 RMM: 3 -0.335462374146E+03 0.52538E-02 -0.10851E-02 5605 0.218E-01 0.187E-01 RMM: 4 -0.335462210148E+03 0.16400E-03 -0.88861E-04 4796 0.642E-02 0.159E-01 RMM: 5 -0.335462044006E+03 0.16614E-03 -0.16097E-04 3911 0.325E-02 0.818E-02 RMM: 6 -0.335462028200E+03 0.15806E-04 -0.48824E-05 3147 0.203E-02 9234 T= 5797. E= 0.67568914E+03 F= 0.62080696E+03 E0= 0.64955265E+03 EK= 0.47211E+02 SP= 0.77E+01 SK= 0.12E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.334180207692E+03 0.12818E+01 -0.64172E-01 8856 0.221E+01 0.343E-01 RMM: 2 -0.334229223650E+03 -0.49016E-01 -0.30485E-01 5959 0.108E+00 0.174E+00 RMM: 3 -0.334206997150E+03 0.22226E-01 -0.20156E-02 5430 0.315E-01 0.324E-01 RMM: 4 -0.334206251087E+03 0.74606E-03 -0.21400E-03 5061 0.913E-02 0.148E-01 RMM: 5 -0.334206214809E+03 0.36278E-04 -0.29104E-04 3974 0.392E-02 0.148E-01 RMM: 6 -0.334206083814E+03 0.13099E-03 -0.99495E-05 3716 0.274E-02 0.683E-02 RMM: 7 -0.334206132079E+03 -0.48265E-04 -0.87436E-05 3679 0.252E-02 0.108E-01 RMM: 8 -0.334206072039E+03 0.60040E-04 -0.68988E-05 3489 0.224E-02 0.540E-02 RMM: 9 -0.334206056268E+03 0.15770E-04 -0.19262E-05 2569 0.129E-02 9235 T= 5642. E= 0.67569205E+03 F= 0.62206293E+03 E0= 0.65081195E+03 EK= 0.45948E+02 SP= 0.77E+01 SK= 0.50E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.332914466339E+03 0.12916E+01 -0.55489E-01 8872 0.220E+01 0.340E-01 RMM: 2 -0.332959677197E+03 -0.45211E-01 -0.27587E-01 5933 0.103E+00 0.170E+00 RMM: 3 -0.332938335680E+03 0.21342E-01 -0.18450E-02 5409 0.305E-01 0.335E-01 RMM: 4 -0.332937640324E+03 0.69536E-03 -0.22182E-03 5063 0.962E-02 0.172E-01 RMM: 5 -0.332937626222E+03 0.14102E-04 -0.33525E-04 3957 0.440E-02 0.179E-01 RMM: 6 -0.332937418722E+03 0.20750E-03 -0.12080E-04 3850 0.309E-02 0.539E-02 RMM: 7 -0.332937459823E+03 -0.41101E-04 -0.71198E-05 3482 0.227E-02 0.962E-02 RMM: 8 -0.332937409110E+03 0.50713E-04 -0.52904E-05 3203 0.216E-02 0.388E-02 RMM: 9 -0.332937403471E+03 0.56385E-05 -0.15217E-05 2502 0.115E-02 9236 T= 5490. E= 0.67570020E+03 F= 0.62333159E+03 E0= 0.65207675E+03 EK= 0.44706E+02 SP= 0.77E+01 SK= 0.33E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331772207883E+03 0.11652E+01 -0.46566E-01 8872 0.218E+01 0.300E-01 RMM: 2 -0.331811127457E+03 -0.38920E-01 -0.27105E-01 5581 0.107E+00 0.144E+00 RMM: 3 -0.331795729656E+03 0.15398E-01 -0.19179E-02 5552 0.291E-01 0.278E-01 RMM: 4 -0.331795146418E+03 0.58324E-03 -0.17532E-03 5019 0.814E-02 0.125E-01 RMM: 5 -0.331795080127E+03 0.66291E-04 -0.22098E-04 4190 0.334E-02 0.109E-01 RMM: 6 -0.331795019067E+03 0.61060E-04 -0.51212E-05 3192 0.206E-02 0.690E-02 RMM: 7 -0.331795050443E+03 -0.31376E-04 -0.64942E-05 3475 0.220E-02 0.102E-01 RMM: 8 -0.331794992827E+03 0.57616E-04 -0.79826E-05 3747 0.229E-02 0.499E-02 RMM: 9 -0.331794979843E+03 0.12984E-04 -0.19094E-05 2574 0.128E-02 9237 T= 5357. E= 0.67571311E+03 F= 0.62447401E+03 E0= 0.65321171E+03 EK= 0.43626E+02 SP= 0.76E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330956953865E+03 0.83804E+00 -0.36042E-01 8976 0.216E+01 0.285E-01 RMM: 2 -0.330990624963E+03 -0.33671E-01 -0.25452E-01 5533 0.107E+00 0.117E+00 RMM: 3 -0.330979616339E+03 0.11009E-01 -0.18686E-02 5529 0.289E-01 0.300E-01 RMM: 4 -0.330978983115E+03 0.63322E-03 -0.17183E-03 5086 0.816E-02 0.127E-01 RMM: 5 -0.330978905983E+03 0.77131E-04 -0.20575E-04 4137 0.321E-02 0.106E-01 RMM: 6 -0.330978853651E+03 0.52332E-04 -0.36200E-05 2947 0.179E-02 0.736E-02 RMM: 7 -0.330978876482E+03 -0.22831E-04 -0.46584E-05 3144 0.194E-02 0.999E-02 RMM: 8 -0.330978819085E+03 0.57397E-04 -0.90002E-05 3829 0.217E-02 0.511E-02 RMM: 9 -0.330978807482E+03 0.11603E-04 -0.23148E-05 2607 0.139E-02 9238 T= 5269. E= 0.67572569E+03 F= 0.62529018E+03 E0= 0.65401952E+03 EK= 0.42907E+02 SP= 0.75E+01 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330659606478E+03 0.31921E+00 -0.24337E-01 9000 0.216E+01 0.260E-01 RMM: 2 -0.330693784636E+03 -0.34178E-01 -0.23683E-01 5282 0.108E+00 0.134E+00 RMM: 3 -0.330680632559E+03 0.13152E-01 -0.20316E-02 5666 0.288E-01 0.260E-01 RMM: 4 -0.330680045438E+03 0.58712E-03 -0.15712E-03 5020 0.822E-02 0.124E-01 RMM: 5 -0.330679976820E+03 0.68619E-04 -0.20519E-04 4752 0.296E-02 0.100E-01 RMM: 6 -0.330679930774E+03 0.46045E-04 -0.30199E-05 2762 0.170E-02 0.681E-02 RMM: 7 -0.330679945326E+03 -0.14552E-04 -0.39668E-05 3038 0.182E-02 9239 T= 5248. E= 0.67573082E+03 F= 0.62558904E+03 E0= 0.65431112E+03 EK= 0.42736E+02 SP= 0.73E+01 SK= 0.61E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.330964533452E+03 -0.28460E+00 -0.13651E-01 8472 0.217E+01 0.205E-01 RMM: 2 -0.330988798082E+03 -0.24265E-01 -0.17725E-01 5547 0.915E-01 0.107E+00 RMM: 3 -0.330980315337E+03 0.84827E-02 -0.14368E-02 5606 0.243E-01 0.245E-01 RMM: 4 -0.330979808165E+03 0.50717E-03 -0.10663E-03 5010 0.678E-02 0.982E-02 RMM: 5 -0.330979769655E+03 0.38510E-04 -0.11560E-04 4083 0.261E-02 0.863E-02 RMM: 6 -0.330979752464E+03 0.17191E-04 -0.22251E-05 2569 0.140E-02 9240 T= 5304. E= 0.67572483E+03 F= 0.62528924E+03 E0= 0.65400520E+03 EK= 0.43191E+02 SP= 0.71E+01 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.331788962442E+03 -0.80919E+00 -0.10474E-01 7784 0.220E+01 0.330E-01 RMM: 2 -0.331824256387E+03 -0.35294E-01 -0.12517E-01 4929 0.820E-01 0.189E+00 RMM: 3 -0.331799012715E+03 0.25244E-01 -0.16513E-02 5396 0.300E-01 0.312E-01 RMM: 4 -0.331798347654E+03 0.66506E-03 -0.18533E-03 4933 0.858E-02 0.113E-01 RMM: 5 -0.331798299558E+03 0.48096E-04 -0.20538E-04 4058 0.323E-02 0.109E-01 RMM: 6 -0.331798238846E+03 0.60712E-04 -0.53684E-05 3215 0.211E-02 0.725E-02 RMM: 7 -0.331798295948E+03 -0.57102E-04 -0.10754E-04 3868 0.274E-02 0.122E-01 RMM: 8 -0.331798217399E+03 0.78549E-04 -0.96633E-05 3875 0.232E-02 0.622E-02 RMM: 9 -0.331798195206E+03 0.22192E-04 -0.22474E-05 2618 0.139E-02 0.265E-02 RMM: 10 -0.331798201169E+03 -0.59627E-05 -0.11199E-05 2479 0.106E-02 9241 T= 5427. E= 0.67571139E+03 F= 0.62447079E+03 E0= 0.65318408E+03 EK= 0.44198E+02 SP= 0.69E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332928950522E+03 -0.11308E+01 -0.10528E-01 7864 0.224E+01 0.368E-01 RMM: 2 -0.332954143980E+03 -0.25193E-01 -0.12076E-01 5088 0.840E-01 0.154E+00 RMM: 3 -0.332938215577E+03 0.15928E-01 -0.16511E-02 5431 0.299E-01 0.391E-01 RMM: 4 -0.332937216439E+03 0.99914E-03 -0.19883E-03 4887 0.952E-02 0.151E-01 RMM: 5 -0.332937197335E+03 0.19104E-04 -0.33879E-04 3983 0.453E-02 0.161E-01 RMM: 6 -0.332937047649E+03 0.14969E-03 -0.11670E-04 3834 0.310E-02 0.638E-02 RMM: 7 -0.332937089809E+03 -0.42161E-04 -0.56687E-05 3332 0.207E-02 0.101E-01 RMM: 8 -0.332937045849E+03 0.43960E-04 -0.50034E-05 3098 0.205E-02 0.528E-02 RMM: 9 -0.332937037635E+03 0.82141E-05 -0.29292E-05 2786 0.162E-02 9242 T= 5595. E= 0.67569704E+03 F= 0.62333195E+03 E0= 0.65204663E+03 EK= 0.45565E+02 SP= 0.66E+01 SK= 0.18E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334166274701E+03 -0.12292E+01 -0.11938E-01 8392 0.227E+01 0.272E-01 RMM: 2 -0.334186819724E+03 -0.20545E-01 -0.13127E-01 5259 0.818E-01 0.115E+00 RMM: 3 -0.334176964603E+03 0.98551E-02 -0.13524E-02 5701 0.236E-01 0.252E-01 RMM: 4 -0.334176533124E+03 0.43148E-03 -0.12438E-03 4662 0.764E-02 0.159E-01 RMM: 5 -0.334176383025E+03 0.15010E-03 -0.20109E-04 3901 0.357E-02 0.100E-01 RMM: 6 -0.334176325237E+03 0.57787E-04 -0.44376E-05 3114 0.203E-02 0.499E-02 RMM: 7 -0.334176327373E+03 -0.21355E-05 -0.26654E-05 2596 0.153E-02 9243 T= 5781. E= 0.67568608E+03 F= 0.62209266E+03 E0= 0.65081231E+03 EK= 0.47074E+02 SP= 0.63E+01 SK= 0.22E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335331739785E+03 -0.11554E+01 -0.13083E-01 8960 0.230E+01 0.235E-01 RMM: 2 -0.335352192444E+03 -0.20453E-01 -0.14203E-01 5392 0.811E-01 0.108E+00 RMM: 3 -0.335343205621E+03 0.89868E-02 -0.12064E-02 5759 0.223E-01 0.245E-01 RMM: 4 -0.335342737957E+03 0.46766E-03 -0.97295E-04 4772 0.658E-02 0.114E-01 RMM: 5 -0.335342657527E+03 0.80429E-04 -0.12194E-04 4105 0.269E-02 0.889E-02 RMM: 6 -0.335342640550E+03 0.16978E-04 -0.25492E-05 2565 0.152E-02 9244 T= 5962. E= 0.67567879E+03 F= 0.62092635E+03 E0= 0.64965498E+03 EK= 0.48547E+02 SP= 0.59E+01 SK= 0.26E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336306557155E+03 -0.96390E+00 -0.13760E-01 8816 0.232E+01 0.283E-01 RMM: 2 -0.336334802466E+03 -0.28245E-01 -0.15921E-01 5123 0.849E-01 0.144E+00 RMM: 3 -0.336319587767E+03 0.15215E-01 -0.15937E-02 5436 0.279E-01 0.316E-01 RMM: 4 -0.336318915150E+03 0.67262E-03 -0.16169E-03 4915 0.804E-02 0.121E-01 RMM: 5 -0.336318833107E+03 0.82043E-04 -0.16816E-04 4195 0.311E-02 0.990E-02 RMM: 6 -0.336318809072E+03 0.24035E-04 -0.29970E-05 2620 0.164E-02 0.885E-02 RMM: 7 -0.336318832591E+03 -0.23519E-04 -0.75917E-05 3618 0.234E-02 0.116E-01 RMM: 8 -0.336318741604E+03 0.90988E-04 -0.16798E-04 3906 0.267E-02 0.469E-02 RMM: 9 -0.336318743309E+03 -0.17050E-05 -0.40835E-05 3044 0.174E-02 9245 T= 6123. E= 0.67567409E+03 F= 0.61995025E+03 E0= 0.64869263E+03 EK= 0.49861E+02 SP= 0.56E+01 SK= 0.28E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337017724994E+03 -0.69898E+00 -0.14029E-01 8816 0.234E+01 0.327E-01 RMM: 2 -0.337046824574E+03 -0.29100E-01 -0.16591E-01 5009 0.873E-01 0.147E+00 RMM: 3 -0.337030907150E+03 0.15917E-01 -0.17014E-02 5465 0.284E-01 0.311E-01 RMM: 4 -0.337030504542E+03 0.40261E-03 -0.22820E-03 5147 0.107E-01 0.237E-01 RMM: 5 -0.337030237151E+03 0.26739E-03 -0.39459E-04 4115 0.506E-02 0.146E-01 RMM: 6 -0.337030101396E+03 0.13576E-03 -0.94036E-05 3708 0.270E-02 0.454E-02 RMM: 7 -0.337030122615E+03 -0.21219E-04 -0.41853E-05 3066 0.180E-02 0.770E-02 RMM: 8 -0.337030089246E+03 0.33369E-04 -0.33738E-05 2736 0.184E-02 0.257E-02 RMM: 9 -0.337030092257E+03 -0.30107E-05 -0.13094E-05 2480 0.103E-02 9246 T= 6255. E= 0.67567147E+03 F= 0.61923890E+03 E0= 0.64799579E+03 EK= 0.50934E+02 SP= 0.52E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337421030502E+03 -0.39094E+00 -0.15582E-01 8880 0.235E+01 0.188E-01 RMM: 2 -0.337443492057E+03 -0.22462E-01 -0.17534E-01 5171 0.872E-01 0.938E-01 RMM: 3 -0.337435756484E+03 0.77356E-02 -0.15164E-02 5684 0.247E-01 0.198E-01 RMM: 4 -0.337435370975E+03 0.38551E-03 -0.98473E-04 4910 0.666E-02 0.950E-02 RMM: 5 -0.337435304689E+03 0.66286E-04 -0.11002E-04 4000 0.271E-02 0.734E-02 RMM: 6 -0.337435285920E+03 0.18769E-04 -0.23052E-05 2549 0.141E-02 9247 T= 6351. E= 0.67567019E+03 F= 0.61883370E+03 E0= 0.64760504E+03 EK= 0.51719E+02 SP= 0.48E+01 SK= 0.31E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337507251893E+03 -0.71947E-01 -0.16401E-01 8912 0.236E+01 0.261E-01 RMM: 2 -0.337538753722E+03 -0.31502E-01 -0.17939E-01 5184 0.882E-01 0.148E+00 RMM: 3 -0.337521922543E+03 0.16831E-01 -0.16958E-02 5468 0.284E-01 0.254E-01 RMM: 4 -0.337521466543E+03 0.45600E-03 -0.15427E-03 5225 0.746E-02 0.105E-01 RMM: 5 -0.337521392267E+03 0.74277E-04 -0.13363E-04 3856 0.315E-02 0.919E-02 RMM: 6 -0.337521363327E+03 0.28940E-04 -0.41039E-05 2933 0.183E-02 0.837E-02 RMM: 7 -0.337521434000E+03 -0.70673E-04 -0.12440E-04 3884 0.274E-02 0.142E-01 RMM: 8 -0.337521303199E+03 0.13080E-03 -0.14572E-04 3894 0.283E-02 0.469E-02 RMM: 9 -0.337521292125E+03 0.11074E-04 -0.24358E-05 2652 0.141E-02 9248 T= 6410. E= 0.67567115E+03 F= 0.61874770E+03 E0= 0.64753517E+03 EK= 0.52196E+02 SP= 0.44E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337290761975E+03 0.23054E+00 -0.17204E-01 8832 0.236E+01 0.298E-01 RMM: 2 -0.337323210436E+03 -0.32448E-01 -0.20688E-01 5136 0.938E-01 0.143E+00 RMM: 3 -0.337307260927E+03 0.15950E-01 -0.18066E-02 5501 0.290E-01 0.274E-01 RMM: 4 -0.337306917005E+03 0.34392E-03 -0.20263E-03 5140 0.985E-02 0.215E-01 RMM: 5 -0.337306758065E+03 0.15894E-03 -0.33769E-04 3921 0.453E-02 0.156E-01 RMM: 6 -0.337306600553E+03 0.15751E-03 -0.10176E-04 3727 0.286E-02 0.460E-02 RMM: 7 -0.337306619421E+03 -0.18868E-04 -0.40085E-05 3025 0.177E-02 9249 T= 6432. E= 0.67567465E+03 F= 0.61896237E+03 E0= 0.64776414E+03 EK= 0.52382E+02 SP= 0.40E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336824252175E+03 0.48235E+00 -0.17773E-01 8768 0.236E+01 0.205E-01 RMM: 2 -0.336849603015E+03 -0.25351E-01 -0.20074E-01 5516 0.921E-01 0.980E-01 RMM: 3 -0.336841321975E+03 0.82810E-02 -0.15095E-02 5706 0.248E-01 0.182E-01 RMM: 4 -0.336841008115E+03 0.31386E-03 -0.97138E-04 5077 0.638E-02 0.109E-01 RMM: 5 -0.336840944514E+03 0.63601E-04 -0.11809E-04 3871 0.289E-02 0.789E-02 RMM: 6 -0.336840913798E+03 0.30715E-04 -0.32869E-05 2871 0.169E-02 0.507E-02 RMM: 7 -0.336840938186E+03 -0.24388E-04 -0.44693E-05 3028 0.187E-02 0.842E-02 RMM: 8 -0.336840895398E+03 0.42788E-04 -0.50399E-05 3038 0.182E-02 0.261E-02 RMM: 9 -0.336840894166E+03 0.12324E-05 -0.13597E-05 2469 0.104E-02 9250 T= 6425. E= 0.67567947E+03 F= 0.61942810E+03 E0= 0.64824156E+03 EK= 0.52320E+02 SP= 0.36E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336180850495E+03 0.66004E+00 -0.18882E-01 8792 0.236E+01 0.220E-01 RMM: 2 -0.336207930762E+03 -0.27080E-01 -0.21302E-01 5203 0.956E-01 0.103E+00 RMM: 3 -0.336198846421E+03 0.90843E-02 -0.17463E-02 5911 0.256E-01 0.182E-01 RMM: 4 -0.336198478253E+03 0.36817E-03 -0.11040E-03 4791 0.744E-02 0.139E-01 RMM: 5 -0.336198382034E+03 0.96219E-04 -0.16986E-04 3911 0.322E-02 0.973E-02 RMM: 6 -0.336198322190E+03 0.59844E-04 -0.40903E-05 3037 0.191E-02 0.377E-02 RMM: 7 -0.336198323301E+03 -0.11112E-05 -0.21288E-05 2539 0.139E-02 9251 T= 6396. E= 0.67568510E+03 F= 0.62007067E+03 E0= 0.64889293E+03 EK= 0.52085E+02 SP= 0.32E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335454384922E+03 0.74394E+00 -0.18911E-01 8872 0.235E+01 0.178E-01 RMM: 2 -0.335476873913E+03 -0.22489E-01 -0.20317E-01 5362 0.938E-01 0.708E-01 RMM: 3 -0.335471882051E+03 0.49919E-02 -0.16371E-02 6216 0.234E-01 0.159E-01 RMM: 4 -0.335471476755E+03 0.40530E-03 -0.70153E-04 4872 0.587E-02 0.105E-01 RMM: 5 -0.335471404212E+03 0.72544E-04 -0.92543E-05 3756 0.260E-02 0.651E-02 RMM: 6 -0.335471394776E+03 0.94360E-05 -0.26873E-05 2615 0.155E-02 9252 T= 6357. E= 0.67569094E+03 F= 0.62079759E+03 E0= 0.64962551E+03 EK= 0.51767E+02 SP= 0.28E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334741439086E+03 0.72997E+00 -0.18536E-01 8840 0.235E+01 0.279E-01 RMM: 2 -0.334779098733E+03 -0.37660E-01 -0.20814E-01 5103 0.970E-01 0.165E+00 RMM: 3 -0.334758798915E+03 0.20300E-01 -0.19929E-02 5552 0.295E-01 0.255E-01 RMM: 4 -0.334758244099E+03 0.55482E-03 -0.16966E-03 5126 0.810E-02 0.108E-01 RMM: 5 -0.334758186240E+03 0.57859E-04 -0.18114E-04 4640 0.300E-02 0.930E-02 RMM: 6 -0.334758145634E+03 0.40606E-04 -0.29294E-05 2665 0.161E-02 0.622E-02 RMM: 7 -0.334758170239E+03 -0.24605E-04 -0.71457E-05 3529 0.221E-02 0.950E-02 RMM: 8 -0.334758118203E+03 0.52035E-04 -0.94940E-05 3873 0.222E-02 0.414E-02 RMM: 9 -0.334758109480E+03 0.87234E-05 -0.16694E-05 2540 0.114E-02 9253 T= 6320. E= 0.67569649E+03 F= 0.62151088E+03 E0= 0.65034229E+03 EK= 0.51465E+02 SP= 0.24E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334134565665E+03 0.62355E+00 -0.17492E-01 8872 0.235E+01 0.317E-01 RMM: 2 -0.334171249977E+03 -0.36684E-01 -0.20133E-01 5014 0.955E-01 0.166E+00 RMM: 3 -0.334151145208E+03 0.20105E-01 -0.20091E-02 5516 0.300E-01 0.340E-01 RMM: 4 -0.334150299860E+03 0.84535E-03 -0.21627E-03 5079 0.100E-01 0.135E-01 RMM: 5 -0.334150281155E+03 0.18705E-04 -0.29319E-04 4010 0.382E-02 0.136E-01 RMM: 6 -0.334150158498E+03 0.12266E-03 -0.69070E-05 3443 0.235E-02 0.412E-02 RMM: 7 -0.334150162795E+03 -0.42965E-05 -0.23920E-05 2604 0.142E-02 9254 T= 6296. E= 0.67570097E+03 F= 0.62211883E+03 E0= 0.65095380E+03 EK= 0.51272E+02 SP= 0.19E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333703652661E+03 0.44651E+00 -0.16542E-01 8536 0.236E+01 0.226E-01 RMM: 2 -0.333731095123E+03 -0.27442E-01 -0.18560E-01 5138 0.915E-01 0.123E+00 RMM: 3 -0.333719557532E+03 0.11538E-01 -0.17657E-02 5691 0.263E-01 0.209E-01 RMM: 4 -0.333719090774E+03 0.46676E-03 -0.11858E-03 5123 0.690E-02 0.958E-02 RMM: 5 -0.333719046102E+03 0.44672E-04 -0.12467E-04 4084 0.276E-02 0.831E-02 RMM: 6 -0.333719014688E+03 0.31414E-04 -0.25900E-05 2589 0.151E-02 0.604E-02 RMM: 7 -0.333719034086E+03 -0.19398E-04 -0.50567E-05 3185 0.191E-02 9255 T= 6295. E= 0.67570333E+03 F= 0.62254996E+03 E0= 0.65138992E+03 EK= 0.51261E+02 SP= 0.15E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333489433997E+03 0.22958E+00 -0.15130E-01 8640 0.237E+01 0.237E-01 RMM: 2 -0.333512734487E+03 -0.23300E-01 -0.17276E-01 4969 0.900E-01 0.106E+00 RMM: 3 -0.333504260445E+03 0.84740E-02 -0.18067E-02 5792 0.261E-01 0.211E-01 RMM: 4 -0.333503787399E+03 0.47305E-03 -0.11730E-03 4953 0.718E-02 0.109E-01 RMM: 5 -0.333503728888E+03 0.58511E-04 -0.15306E-04 3998 0.297E-02 0.866E-02 RMM: 6 -0.333503685474E+03 0.43414E-04 -0.33172E-05 2902 0.171E-02 0.456E-02 RMM: 7 -0.333503688207E+03 -0.27328E-05 -0.19797E-05 2536 0.141E-02 9256 T= 6321. E= 0.67570252E+03 F= 0.62276530E+03 E0= 0.65161370E+03 EK= 0.51471E+02 SP= 0.11E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333484671187E+03 0.19014E-01 -0.15285E-01 8208 0.238E+01 0.230E-01 RMM: 2 -0.333508800471E+03 -0.24129E-01 -0.17473E-01 4869 0.933E-01 0.109E+00 RMM: 3 -0.333499889483E+03 0.89110E-02 -0.19194E-02 5867 0.267E-01 0.214E-01 RMM: 4 -0.333499340868E+03 0.54861E-03 -0.11107E-03 4982 0.709E-02 0.105E-01 RMM: 5 -0.333499293357E+03 0.47512E-04 -0.14731E-04 3933 0.306E-02 0.865E-02 RMM: 6 -0.333499250475E+03 0.42881E-04 -0.32098E-05 2788 0.168E-02 0.509E-02 RMM: 7 -0.333499260326E+03 -0.98502E-05 -0.30093E-05 2631 0.162E-02 9257 T= 6373. E= 0.67569869E+03 F= 0.62276973E+03 E0= 0.65163047E+03 EK= 0.51898E+02 SP= 0.63E+00 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333638665966E+03 -0.13942E+00 -0.14462E-01 8104 0.241E+01 0.224E-01 RMM: 2 -0.333658731154E+03 -0.20065E-01 -0.15366E-01 4862 0.881E-01 0.963E-01 RMM: 3 -0.333651955525E+03 0.67756E-02 -0.17147E-02 5810 0.253E-01 0.204E-01 RMM: 4 -0.333651494615E+03 0.46091E-03 -0.10140E-03 5036 0.668E-02 0.942E-02 RMM: 5 -0.333651467054E+03 0.27561E-04 -0.14200E-04 3869 0.307E-02 0.911E-02 RMM: 6 -0.333651417013E+03 0.50042E-04 -0.37426E-05 2994 0.181E-02 0.380E-02 RMM: 7 -0.333651421385E+03 -0.43726E-05 -0.18103E-05 2516 0.136E-02 9258 T= 6445. E= 0.67569195E+03 F= 0.62261757E+03 E0= 0.65149533E+03 EK= 0.52488E+02 SP= 0.18E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333848839914E+03 -0.19742E+00 -0.14521E-01 8080 0.243E+01 0.203E-01 RMM: 2 -0.333869041792E+03 -0.20202E-01 -0.14702E-01 4930 0.860E-01 0.100E+00 RMM: 3 -0.333861470817E+03 0.75710E-02 -0.15447E-02 5808 0.238E-01 0.180E-01 RMM: 4 -0.333861091353E+03 0.37946E-03 -0.87089E-04 4815 0.651E-02 0.110E-01 RMM: 5 -0.333861028324E+03 0.63029E-04 -0.13171E-04 3833 0.300E-02 0.781E-02 RMM: 6 -0.333860991727E+03 0.36597E-04 -0.33295E-05 2862 0.173E-02 0.409E-02 RMM: 7 -0.333860998981E+03 -0.72541E-05 -0.24013E-05 2554 0.147E-02 9259 T= 6526. E= 0.67568401E+03 F= 0.62240799E+03 E0= 0.65130636E+03 EK= 0.53141E+02 SP= -.28E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333995584018E+03 -0.13459E+00 -0.14171E-01 8120 0.245E+01 0.199E-01 RMM: 2 -0.334012439438E+03 -0.16855E-01 -0.14406E-01 4978 0.853E-01 0.768E-01 RMM: 3 -0.334007764161E+03 0.46753E-02 -0.15117E-02 6007 0.232E-01 0.142E-01 RMM: 4 -0.334007485351E+03 0.27881E-03 -0.77876E-04 4879 0.611E-02 0.130E-01 RMM: 5 -0.334007381622E+03 0.10373E-03 -0.11094E-04 3752 0.280E-02 0.756E-02 RMM: 6 -0.334007352602E+03 0.29020E-04 -0.28385E-05 2606 0.163E-02 0.425E-02 RMM: 7 -0.334007353022E+03 -0.42067E-06 -0.24397E-05 2597 0.145E-02 9260 T= 6599. E= 0.67567701E+03 F= 0.62226164E+03 E0= 0.65118293E+03 EK= 0.53736E+02 SP= -.73E+00 SK= 0.41E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333969372548E+03 0.37980E-01 -0.13807E-01 8192 0.246E+01 0.189E-01 RMM: 2 -0.333987063426E+03 -0.17691E-01 -0.13712E-01 5300 0.790E-01 0.887E-01 RMM: 3 -0.333980567651E+03 0.64958E-02 -0.11457E-02 5911 0.208E-01 0.165E-01 RMM: 4 -0.333980332601E+03 0.23505E-03 -0.72777E-04 4703 0.599E-02 0.128E-01 RMM: 5 -0.333980222676E+03 0.10993E-03 -0.11068E-04 3743 0.272E-02 0.774E-02 RMM: 6 -0.333980197113E+03 0.25563E-04 -0.26391E-05 2649 0.157E-02 0.559E-02 RMM: 7 -0.333980195496E+03 0.16168E-05 -0.34758E-05 2681 0.167E-02 9261 T= 6651. E= 0.67567283E+03 F= 0.62228879E+03 E0= 0.65123308E+03 EK= 0.54162E+02 SP= -.12E+01 SK= 0.40E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333699319065E+03 0.28088E+00 -0.14197E-01 8440 0.247E+01 0.182E-01 RMM: 2 -0.333715498142E+03 -0.16179E-01 -0.14289E-01 5305 0.805E-01 0.703E-01 RMM: 3 -0.333711066520E+03 0.44316E-02 -0.11744E-02 6064 0.206E-01 0.138E-01 RMM: 4 -0.333710884991E+03 0.18153E-03 -0.63451E-04 4724 0.562E-02 0.147E-01 RMM: 5 -0.333710735965E+03 0.14903E-03 -0.10166E-04 3670 0.267E-02 0.719E-02 RMM: 6 -0.333710720724E+03 0.15241E-04 -0.25183E-05 2575 0.151E-02 9262 T= 6674. E= 0.67567272E+03 F= 0.62255827E+03 E0= 0.65152305E+03 EK= 0.54345E+02 SP= -.16E+01 SK= 0.39E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333179794591E+03 0.53094E+00 -0.13942E-01 8472 0.247E+01 0.181E-01 RMM: 2 -0.333198174345E+03 -0.18380E-01 -0.13940E-01 5588 0.752E-01 0.905E-01 RMM: 3 -0.333190860557E+03 0.73138E-02 -0.93404E-03 5586 0.200E-01 0.183E-01 RMM: 4 -0.333190652361E+03 0.20820E-03 -0.80658E-04 4867 0.568E-02 0.110E-01 RMM: 5 -0.333190563318E+03 0.89043E-04 -0.84888E-05 3729 0.221E-02 0.800E-02 RMM: 6 -0.333190551131E+03 0.12187E-04 -0.22953E-05 2562 0.147E-02 9263 T= 6665. E= 0.67567667E+03 F= 0.62307844E+03 E0= 0.65205830E+03 EK= 0.54276E+02 SP= -.21E+01 SK= 0.38E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332463003790E+03 0.72756E+00 -0.13976E-01 8480 0.245E+01 0.409E-01 RMM: 2 -0.332513229450E+03 -0.50226E-01 -0.14431E-01 5379 0.848E-01 0.240E+00 RMM: 3 -0.332473357965E+03 0.39871E-01 -0.19896E-02 5384 0.338E-01 0.387E-01 RMM: 4 -0.332472276971E+03 0.10810E-02 -0.24301E-03 4891 0.100E-01 0.106E-01 RMM: 5 -0.332472223489E+03 0.53482E-04 -0.27580E-04 4546 0.333E-02 0.111E-01 RMM: 6 -0.332472159541E+03 0.63949E-04 -0.40358E-05 2987 0.196E-02 0.656E-02 RMM: 7 -0.332472196248E+03 -0.36708E-04 -0.70918E-05 3513 0.220E-02 0.109E-01 RMM: 8 -0.332472122815E+03 0.73433E-04 -0.13127E-04 3893 0.242E-02 0.465E-02 RMM: 9 -0.332472113192E+03 0.96230E-05 -0.26046E-05 2633 0.141E-02 9264 T= 6632. E= 0.67568401E+03 F= 0.62379688E+03 E0= 0.65278558E+03 EK= 0.54004E+02 SP= -.25E+01 SK= 0.37E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331647109380E+03 0.82501E+00 -0.14022E-01 8424 0.243E+01 0.305E-01 RMM: 2 -0.331674734339E+03 -0.27625E-01 -0.14780E-01 5544 0.783E-01 0.149E+00 RMM: 3 -0.331657952499E+03 0.16782E-01 -0.12313E-02 5375 0.254E-01 0.312E-01 RMM: 4 -0.331657519797E+03 0.43270E-03 -0.19880E-03 4813 0.982E-02 0.202E-01 RMM: 5 -0.331657324362E+03 0.19544E-03 -0.29415E-04 3901 0.434E-02 0.129E-01 RMM: 6 -0.331657216467E+03 0.10789E-03 -0.59983E-05 3354 0.229E-02 0.398E-02 RMM: 7 -0.331657236287E+03 -0.19820E-04 -0.41890E-05 2996 0.186E-02 9265 T= 6586. E= 0.67569333E+03 F= 0.62461175E+03 E0= 0.65360040E+03 EK= 0.53630E+02 SP= -.29E+01 SK= 0.36E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330861016437E+03 0.79620E+00 -0.14202E-01 8848 0.241E+01 0.213E-01 RMM: 2 -0.330881862202E+03 -0.20846E-01 -0.14014E-01 5517 0.796E-01 0.112E+00 RMM: 3 -0.330872186409E+03 0.96758E-02 -0.10462E-02 5793 0.213E-01 0.204E-01 RMM: 4 -0.330871864825E+03 0.32158E-03 -0.86216E-04 4775 0.615E-02 0.937E-02 RMM: 5 -0.330871819790E+03 0.45036E-04 -0.10641E-04 3892 0.245E-02 0.863E-02 RMM: 6 -0.330871787100E+03 0.32690E-04 -0.26084E-05 2632 0.157E-02 0.579E-02 RMM: 7 -0.330871802304E+03 -0.15204E-04 -0.43592E-05 3047 0.186E-02 9266 T= 6542. E= 0.67570121E+03 F= 0.62539719E+03 E0= 0.65437837E+03 EK= 0.53277E+02 SP= -.33E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330221937412E+03 0.64985E+00 -0.14145E-01 8752 0.239E+01 0.214E-01 RMM: 2 -0.330242709535E+03 -0.20772E-01 -0.14036E-01 5425 0.799E-01 0.109E+00 RMM: 3 -0.330233161026E+03 0.95485E-02 -0.10751E-02 5697 0.215E-01 0.173E-01 RMM: 4 -0.330232955901E+03 0.20512E-03 -0.90345E-04 4732 0.651E-02 0.126E-01 RMM: 5 -0.330232860272E+03 0.95629E-04 -0.12701E-04 3822 0.282E-02 0.731E-02 RMM: 6 -0.330232832069E+03 0.28203E-04 -0.24837E-05 2625 0.153E-02 0.428E-02 RMM: 7 -0.330232835195E+03 -0.31251E-05 -0.20607E-05 2525 0.136E-02 9267 T= 6516. E= 0.67570661E+03 F= 0.62603615E+03 E0= 0.65500370E+03 EK= 0.53065E+02 SP= -.37E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329810960194E+03 0.42187E+00 -0.15030E-01 8768 0.239E+01 0.219E-01 RMM: 2 -0.329832875689E+03 -0.21915E-01 -0.16064E-01 5149 0.897E-01 0.106E+00 RMM: 3 -0.329824471353E+03 0.84043E-02 -0.15027E-02 5881 0.246E-01 0.234E-01 RMM: 4 -0.329823938187E+03 0.53317E-03 -0.97239E-04 4852 0.691E-02 0.950E-02 RMM: 5 -0.329823914023E+03 0.24164E-04 -0.14045E-04 3877 0.292E-02 0.982E-02 RMM: 6 -0.329823863130E+03 0.50893E-04 -0.34024E-05 2894 0.178E-02 0.533E-02 RMM: 7 -0.329823870429E+03 -0.72990E-05 -0.28106E-05 2588 0.159E-02 9268 T= 6518. E= 0.67570891E+03 F= 0.62644512E+03 E0= 0.65539461E+03 EK= 0.53078E+02 SP= -.42E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329668115558E+03 0.15575E+00 -0.13947E-01 8576 0.239E+01 0.202E-01 RMM: 2 -0.329686132410E+03 -0.18017E-01 -0.14316E-01 5316 0.832E-01 0.875E-01 RMM: 3 -0.329679782303E+03 0.63501E-02 -0.11949E-02 5874 0.222E-01 0.193E-01 RMM: 4 -0.329679484141E+03 0.29816E-03 -0.81294E-04 4804 0.611E-02 0.112E-01 RMM: 5 -0.329679415627E+03 0.68514E-04 -0.11026E-04 3753 0.271E-02 0.745E-02 RMM: 6 -0.329679390402E+03 0.25225E-04 -0.27775E-05 2743 0.162E-02 0.488E-02 RMM: 7 -0.329679399845E+03 -0.94429E-05 -0.29432E-05 2598 0.161E-02 9269 T= 6552. E= 0.67570776E+03 F= 0.62658959E+03 E0= 0.65551861E+03 EK= 0.53352E+02 SP= -.46E+01 SK= 0.35E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329772722626E+03 -0.93332E-01 -0.13051E-01 8560 0.241E+01 0.208E-01 RMM: 2 -0.329791197289E+03 -0.18475E-01 -0.13921E-01 5306 0.821E-01 0.961E-01 RMM: 3 -0.329783984326E+03 0.72130E-02 -0.11605E-02 5919 0.217E-01 0.207E-01 RMM: 4 -0.329783628850E+03 0.35548E-03 -0.80328E-04 4728 0.629E-02 0.113E-01 RMM: 5 -0.329783564865E+03 0.63985E-04 -0.12518E-04 3793 0.289E-02 0.908E-02 RMM: 6 -0.329783518969E+03 0.45896E-04 -0.36701E-05 2979 0.186E-02 0.504E-02 RMM: 7 -0.329783521050E+03 -0.20817E-05 -0.24210E-05 2563 0.145E-02 9270 T= 6616. E= 0.67570342E+03 F= 0.62648547E+03 E0= 0.65539282E+03 EK= 0.53874E+02 SP= -.50E+01 SK= 0.34E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330066807127E+03 -0.28329E+00 -0.12765E-01 8184 0.243E+01 0.224E-01 RMM: 2 -0.330084919139E+03 -0.18112E-01 -0.13413E-01 5282 0.826E-01 0.969E-01 RMM: 3 -0.330077493732E+03 0.74254E-02 -0.12093E-02 5839 0.229E-01 0.178E-01 RMM: 4 -0.330077239149E+03 0.25458E-03 -0.82107E-04 4801 0.607E-02 0.116E-01 RMM: 5 -0.330077157224E+03 0.81925E-04 -0.10835E-04 3773 0.271E-02 0.828E-02 RMM: 6 -0.330077124404E+03 0.32820E-04 -0.28716E-05 2726 0.163E-02 0.527E-02 RMM: 7 -0.330077122540E+03 0.18646E-05 -0.28725E-05 2614 0.156E-02 9271 T= 6703. E= 0.67569759E+03 F= 0.62619187E+03 E0= 0.65507807E+03 EK= 0.54583E+02 SP= -.54E+01 SK= 0.33E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330466554819E+03 -0.38943E+00 -0.13160E-01 8176 0.246E+01 0.212E-01 RMM: 2 -0.330485063473E+03 -0.18509E-01 -0.13535E-01 5227 0.836E-01 0.100E+00 RMM: 3 -0.330477630499E+03 0.74330E-02 -0.12086E-02 5950 0.220E-01 0.209E-01 RMM: 4 -0.330477246357E+03 0.38414E-03 -0.79124E-04 4670 0.645E-02 0.118E-01 RMM: 5 -0.330477163474E+03 0.82883E-04 -0.12846E-04 3822 0.296E-02 0.889E-02 RMM: 6 -0.330477123124E+03 0.40351E-04 -0.33179E-05 2877 0.178E-02 0.554E-02 RMM: 7 -0.330477118988E+03 0.41359E-05 -0.28985E-05 2611 0.157E-02 9272 T= 6803. E= 0.67569163E+03 F= 0.62579187E+03 E0= 0.65465929E+03 EK= 0.55397E+02 SP= -.58E+01 SK= 0.32E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330889692192E+03 -0.41257E+00 -0.12944E-01 8112 0.248E+01 0.223E-01 RMM: 2 -0.330907151600E+03 -0.17459E-01 -0.13364E-01 5277 0.837E-01 0.933E-01 RMM: 3 -0.330900385066E+03 0.67665E-02 -0.12006E-02 5878 0.226E-01 0.174E-01 RMM: 4 -0.330900155757E+03 0.22931E-03 -0.79119E-04 4740 0.616E-02 0.136E-01 RMM: 5 -0.330900033613E+03 0.12214E-03 -0.12294E-04 3819 0.294E-02 0.852E-02 RMM: 6 -0.330900000195E+03 0.33419E-04 -0.32642E-05 2833 0.173E-02 0.558E-02 RMM: 7 -0.330899986757E+03 0.13438E-04 -0.34190E-05 2633 0.169E-02 9273 T= 6905. E= 0.67568786E+03 F= 0.62536900E+03 E0= 0.65422072E+03 EK= 0.56229E+02 SP= -.62E+01 SK= 0.30E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331279604468E+03 -0.37960E+00 -0.13163E-01 8120 0.251E+01 0.216E-01 RMM: 2 -0.331298708032E+03 -0.19104E-01 -0.13992E-01 5218 0.866E-01 0.102E+00 RMM: 3 -0.331291266838E+03 0.74412E-02 -0.13215E-02 5947 0.226E-01 0.210E-01 RMM: 4 -0.331290863025E+03 0.40381E-03 -0.81095E-04 4706 0.657E-02 0.122E-01 RMM: 5 -0.331290761909E+03 0.10112E-03 -0.12533E-04 3819 0.295E-02 0.883E-02 RMM: 6 -0.331290728077E+03 0.33832E-04 -0.31371E-05 2798 0.172E-02 0.626E-02 RMM: 7 -0.331290720360E+03 0.77170E-05 -0.35871E-05 2654 0.173E-02 9274 T= 7002. E= 0.67568672E+03 F= 0.62497827E+03 E0= 0.65381663E+03 EK= 0.57022E+02 SP= -.66E+01 SK= 0.27E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331627065495E+03 -0.33634E+00 -0.13659E-01 8184 0.252E+01 0.227E-01 RMM: 2 -0.331645626483E+03 -0.18561E-01 -0.13540E-01 5158 0.851E-01 0.997E-01 RMM: 3 -0.331638210570E+03 0.74159E-02 -0.13229E-02 5846 0.239E-01 0.204E-01 RMM: 4 -0.331637881643E+03 0.32893E-03 -0.83999E-04 4759 0.641E-02 0.121E-01 RMM: 5 -0.331637782990E+03 0.98653E-04 -0.11916E-04 3822 0.292E-02 0.842E-02 RMM: 6 -0.331637751945E+03 0.31045E-04 -0.33305E-05 2862 0.176E-02 0.565E-02 RMM: 7 -0.331637746577E+03 0.53680E-05 -0.37661E-05 2662 0.176E-02 9275 T= 7093. E= 0.67568842E+03 F= 0.62463124E+03 E0= 0.65345929E+03 EK= 0.57758E+02 SP= -.69E+01 SK= 0.24E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331959853511E+03 -0.32210E+00 -0.14691E-01 8160 0.252E+01 0.222E-01 RMM: 2 -0.331978879981E+03 -0.19026E-01 -0.13587E-01 5091 0.859E-01 0.103E+00 RMM: 3 -0.331971151842E+03 0.77281E-02 -0.13534E-02 5924 0.239E-01 0.207E-01 RMM: 4 -0.331970795252E+03 0.35659E-03 -0.83427E-04 4713 0.664E-02 0.123E-01 RMM: 5 -0.331970698037E+03 0.97215E-04 -0.12191E-04 3785 0.298E-02 0.853E-02 RMM: 6 -0.331970663404E+03 0.34633E-04 -0.31726E-05 2775 0.173E-02 0.556E-02 RMM: 7 -0.331970663062E+03 0.34172E-06 -0.32830E-05 2625 0.171E-02 9276 T= 7179. E= 0.67569065E+03 F= 0.62429833E+03 E0= 0.65311771E+03 EK= 0.58461E+02 SP= -.73E+01 SK= 0.21E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332317483739E+03 -0.34682E+00 -0.14952E-01 8000 0.252E+01 0.207E-01 RMM: 2 -0.332335757817E+03 -0.18274E-01 -0.13832E-01 5034 0.856E-01 0.925E-01 RMM: 3 -0.332329060569E+03 0.66972E-02 -0.13772E-02 5861 0.245E-01 0.200E-01 RMM: 4 -0.332328733614E+03 0.32696E-03 -0.78186E-04 4730 0.631E-02 0.105E-01 RMM: 5 -0.332328657715E+03 0.75898E-04 -0.10699E-04 3785 0.290E-02 0.762E-02 RMM: 6 -0.332328631620E+03 0.26095E-04 -0.31188E-05 2720 0.170E-02 0.509E-02 RMM: 7 -0.332328628175E+03 0.34444E-05 -0.41204E-05 2714 0.182E-02 9277 T= 7265. E= 0.67569076E+03 F= 0.62394036E+03 E0= 0.65275295E+03 EK= 0.59162E+02 SP= -.76E+01 SK= 0.17E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332709760586E+03 -0.38113E+00 -0.15397E-01 8040 0.252E+01 0.184E-01 RMM: 2 -0.332728614673E+03 -0.18854E-01 -0.15341E-01 4947 0.895E-01 0.844E-01 RMM: 3 -0.332722735659E+03 0.58790E-02 -0.15156E-02 6024 0.249E-01 0.176E-01 RMM: 4 -0.332722430108E+03 0.30555E-03 -0.76139E-04 4731 0.652E-02 0.118E-01 RMM: 5 -0.332722332506E+03 0.97602E-04 -0.11252E-04 3713 0.309E-02 0.727E-02 RMM: 6 -0.332722309325E+03 0.23181E-04 -0.30182E-05 2655 0.166E-02 0.524E-02 RMM: 7 -0.332722302111E+03 0.72139E-05 -0.37590E-05 2650 0.179E-02 9278 T= 7352. E= 0.67568733E+03 F= 0.62354669E+03 E0= 0.65235254E+03 EK= 0.59866E+02 SP= -.79E+01 SK= 0.14E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333099777581E+03 -0.37747E+00 -0.16710E-01 8512 0.253E+01 0.166E-01 RMM: 2 -0.333117963047E+03 -0.18185E-01 -0.16219E-01 5104 0.892E-01 0.679E-01 RMM: 3 -0.333113348514E+03 0.46145E-02 -0.14586E-02 5868 0.248E-01 0.158E-01 RMM: 4 -0.333113100786E+03 0.24773E-03 -0.72937E-04 4885 0.603E-02 0.109E-01 RMM: 5 -0.333113013739E+03 0.87047E-04 -0.91404E-05 3641 0.291E-02 0.702E-02 RMM: 6 -0.333112999061E+03 0.14678E-04 -0.27123E-05 2562 0.157E-02 9279 T= 7433. E= 0.67568221E+03 F= 0.62315599E+03 E0= 0.65195596E+03 EK= 0.60533E+02 SP= -.81E+01 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333410961767E+03 -0.29795E+00 -0.18449E-01 8640 0.254E+01 0.214E-01 RMM: 2 -0.333435130063E+03 -0.24168E-01 -0.18066E-01 5240 0.936E-01 0.105E+00 RMM: 3 -0.333426248248E+03 0.88818E-02 -0.15911E-02 5576 0.271E-01 0.219E-01 RMM: 4 -0.333425845920E+03 0.40233E-03 -0.10568E-03 4991 0.689E-02 0.105E-01 RMM: 5 -0.333425784924E+03 0.60996E-04 -0.11155E-04 4007 0.298E-02 0.841E-02 RMM: 6 -0.333425771088E+03 0.13836E-04 -0.25831E-05 2558 0.154E-02 9280 T= 7501. E= 0.67567709E+03 F= 0.62284322E+03 E0= 0.65163728E+03 EK= 0.61083E+02 SP= -.83E+01 SK= 0.74E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333563742331E+03 -0.13796E+00 -0.19637E-01 8552 0.254E+01 0.390E-01 RMM: 2 -0.333614339545E+03 -0.50597E-01 -0.19004E-01 5119 0.961E-01 0.223E+00 RMM: 3 -0.333578777627E+03 0.35562E-01 -0.22974E-02 5372 0.363E-01 0.397E-01 RMM: 4 -0.333577680271E+03 0.10974E-02 -0.26655E-03 5420 0.104E-01 0.121E-01 RMM: 5 -0.333577611548E+03 0.68722E-04 -0.25991E-04 4559 0.306E-02 0.112E-01 RMM: 6 -0.333577560636E+03 0.50912E-04 -0.28063E-05 2650 0.165E-02 0.853E-02 RMM: 7 -0.333577585989E+03 -0.25353E-04 -0.63868E-05 3403 0.208E-02 0.114E-01 RMM: 8 -0.333577511140E+03 0.74849E-04 -0.14418E-04 3900 0.260E-02 0.593E-02 RMM: 9 -0.333577499571E+03 0.11569E-04 -0.34044E-05 2813 0.158E-02 9281 T= 7544. E= 0.67567313E+03 F= 0.62269149E+03 E0= 0.65147969E+03 EK= 0.61431E+02 SP= -.85E+01 SK= 0.47E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333486934508E+03 0.90577E-01 -0.22252E-01 8728 0.254E+01 0.315E-01 RMM: 2 -0.333524489567E+03 -0.37555E-01 -0.21218E-01 5440 0.944E-01 0.163E+00 RMM: 3 -0.333503838351E+03 0.20651E-01 -0.17016E-02 5390 0.308E-01 0.277E-01 RMM: 4 -0.333503626773E+03 0.21158E-03 -0.22222E-03 5338 0.103E-01 0.238E-01 RMM: 5 -0.333503357023E+03 0.26975E-03 -0.34006E-04 3928 0.461E-02 0.149E-01 RMM: 6 -0.333503211769E+03 0.14525E-03 -0.10405E-04 3788 0.288E-02 0.500E-02 RMM: 7 -0.333503236396E+03 -0.24627E-04 -0.43226E-05 3078 0.187E-02 0.793E-02 RMM: 8 -0.333503201095E+03 0.35302E-04 -0.35595E-05 2754 0.179E-02 0.296E-02 RMM: 9 -0.333503202778E+03 -0.16830E-05 -0.13363E-05 2488 0.104E-02 9282 T= 7553. E= 0.67567127E+03 F= 0.62276579E+03 E0= 0.65154718E+03 EK= 0.61509E+02 SP= -.86E+01 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.333147849220E+03 0.35535E+00 -0.25871E-01 8768 0.253E+01 0.265E-01 RMM: 2 -0.333182029629E+03 -0.34180E-01 -0.23128E-01 5419 0.978E-01 0.138E+00 RMM: 3 -0.333166742068E+03 0.15288E-01 -0.16966E-02 5554 0.281E-01 0.252E-01 RMM: 4 -0.333166244014E+03 0.49805E-03 -0.14254E-03 4985 0.767E-02 0.105E-01 RMM: 5 -0.333166172739E+03 0.71275E-04 -0.15471E-04 4508 0.300E-02 0.895E-02 RMM: 6 -0.333166143256E+03 0.29483E-04 -0.26491E-05 2567 0.153E-02 0.692E-02 RMM: 7 -0.333166129729E+03 0.13527E-04 -0.67644E-05 3385 0.214E-02 9283 T= 7525. E= 0.67567090E+03 F= 0.62310286E+03 E0= 0.65187542E+03 EK= 0.61280E+02 SP= -.87E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.332532371267E+03 0.63377E+00 -0.30087E-01 8808 0.252E+01 0.165E-01 RMM: 2 -0.332558241328E+03 -0.25870E-01 -0.23938E-01 6070 0.970E-01 0.663E-01 RMM: 3 -0.332552968916E+03 0.52724E-02 -0.12435E-02 5656 0.233E-01 0.172E-01 RMM: 4 -0.332552719272E+03 0.24964E-03 -0.79981E-04 5040 0.581E-02 0.108E-01 RMM: 5 -0.332552644732E+03 0.74539E-04 -0.83037E-05 3518 0.264E-02 0.775E-02 RMM: 6 -0.332552641905E+03 0.28274E-05 -0.30146E-05 2621 0.164E-02 9284 T= 7457. E= 0.67567165E+03 F= 0.62371635E+03 E0= 0.65247918E+03 EK= 0.60729E+02 SP= -.88E+01 SK= 0.25E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.331646582442E+03 0.90606E+00 -0.35063E-01 8904 0.251E+01 0.316E-01 RMM: 2 -0.331693089230E+03 -0.46507E-01 -0.28127E-01 5455 0.108E+00 0.172E+00 RMM: 3 -0.331670067992E+03 0.23021E-01 -0.21067E-02 5460 0.324E-01 0.344E-01 RMM: 4 -0.331669217732E+03 0.85026E-03 -0.20987E-03 5243 0.920E-02 0.110E-01 RMM: 5 -0.331669164521E+03 0.53211E-04 -0.24736E-04 4555 0.322E-02 0.101E-01 RMM: 6 -0.331669118564E+03 0.45957E-04 -0.38076E-05 2965 0.183E-02 0.728E-02 RMM: 7 -0.331669136893E+03 -0.18329E-04 -0.46537E-05 3133 0.193E-02 9285 T= 7351. E= 0.67567321E+03 F= 0.62459985E+03 E0= 0.65335247E+03 EK= 0.59866E+02 SP= -.88E+01 SK= 0.74E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.330515146925E+03 0.11540E+01 -0.38177E-01 8840 0.249E+01 0.332E-01 RMM: 2 -0.330562221313E+03 -0.47074E-01 -0.28061E-01 5712 0.105E+00 0.176E+00 RMM: 3 -0.330538596418E+03 0.23625E-01 -0.18416E-02 5428 0.307E-01 0.374E-01 RMM: 4 -0.330537634130E+03 0.96229E-03 -0.23390E-03 5189 0.104E-01 0.131E-01 RMM: 5 -0.330537623515E+03 0.10615E-04 -0.33069E-04 3964 0.411E-02 0.134E-01 RMM: 6 -0.330537511580E+03 0.11193E-03 -0.84776E-05 3561 0.258E-02 0.475E-02 RMM: 7 -0.330537528427E+03 -0.16847E-04 -0.30620E-05 2759 0.157E-02 9286 T= 7211. E= 0.67567595E+03 F= 0.62573146E+03 E0= 0.65447342E+03 EK= 0.58720E+02 SP= -.88E+01 SK= 0.17E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.329166272218E+03 0.13712E+01 -0.40415E-01 8912 0.247E+01 0.309E-01 RMM: 2 -0.329209182808E+03 -0.42911E-01 -0.28890E-01 5623 0.108E+00 0.154E+00 RMM: 3 -0.329190475884E+03 0.18707E-01 -0.18968E-02 5491 0.305E-01 0.256E-01 RMM: 4 -0.329190010338E+03 0.46555E-03 -0.18211E-03 5149 0.844E-02 0.133E-01 RMM: 5 -0.329189940081E+03 0.70257E-04 -0.23159E-04 3998 0.360E-02 0.112E-01 RMM: 6 -0.329189866191E+03 0.73891E-04 -0.62977E-05 3333 0.225E-02 0.532E-02 RMM: 7 -0.329189876082E+03 -0.98909E-05 -0.27590E-05 2609 0.156E-02 9287 T= 7040. E= 0.67568009E+03 F= 0.62707911E+03 E0= 0.65581231E+03 EK= 0.57330E+02 SP= -.87E+01 SK= 0.57E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327648205702E+03 0.15417E+01 -0.38710E-01 8960 0.244E+01 0.230E-01 RMM: 2 -0.327680640878E+03 -0.32435E-01 -0.27309E-01 5821 0.105E+00 0.999E-01 RMM: 3 -0.327671826085E+03 0.88148E-02 -0.16070E-02 5837 0.256E-01 0.222E-01 RMM: 4 -0.327671371864E+03 0.45422E-03 -0.11102E-03 4945 0.699E-02 0.113E-01 RMM: 5 -0.327671311112E+03 0.60753E-04 -0.16224E-04 4033 0.315E-02 0.878E-02 RMM: 6 -0.327671272721E+03 0.38391E-04 -0.37959E-05 2989 0.182E-02 0.553E-02 RMM: 7 -0.327671283186E+03 -0.10465E-04 -0.36828E-05 2823 0.183E-02 9288 T= 6846. E= 0.67568444E+03 F= 0.62859771E+03 E0= 0.65732389E+03 EK= 0.55748E+02 SP= -.87E+01 SK= 0.99E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.326019123924E+03 0.16521E+01 -0.36183E-01 9040 0.241E+01 0.247E-01 RMM: 2 -0.326052185322E+03 -0.33061E-01 -0.25850E-01 5588 0.104E+00 0.116E+00 RMM: 3 -0.326041138027E+03 0.11047E-01 -0.16934E-02 5829 0.265E-01 0.208E-01 RMM: 4 -0.326040757191E+03 0.38084E-03 -0.12374E-03 4880 0.746E-02 0.139E-01 RMM: 5 -0.326040664897E+03 0.92294E-04 -0.19144E-04 3947 0.337E-02 0.992E-02 RMM: 6 -0.326040611486E+03 0.53410E-04 -0.50534E-05 3174 0.206E-02 0.529E-02 RMM: 7 -0.326040623405E+03 -0.11919E-04 -0.36125E-05 2761 0.178E-02 9289 T= 6636. E= 0.67568949E+03 F= 0.63022837E+03 E0= 0.65895171E+03 EK= 0.54042E+02 SP= -.86E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324350961081E+03 0.16897E+01 -0.31814E-01 9032 0.238E+01 0.222E-01 RMM: 2 -0.324378869164E+03 -0.27908E-01 -0.22755E-01 5733 0.965E-01 0.999E-01 RMM: 3 -0.324370511500E+03 0.83577E-02 -0.13671E-02 5844 0.238E-01 0.238E-01 RMM: 4 -0.324370053214E+03 0.45829E-03 -0.10422E-03 4782 0.691E-02 0.110E-01 RMM: 5 -0.324369992142E+03 0.61072E-04 -0.16086E-04 3985 0.300E-02 0.903E-02 RMM: 6 -0.324369952578E+03 0.39564E-04 -0.39235E-05 3035 0.185E-02 0.570E-02 RMM: 7 -0.324369963181E+03 -0.10604E-04 -0.54924E-05 3305 0.208E-02 9290 T= 6422. E= 0.67569555E+03 F= 0.63189903E+03 E0= 0.66062384E+03 EK= 0.52295E+02 SP= -.85E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322726790769E+03 0.16432E+01 -0.26525E-01 8944 0.235E+01 0.207E-01 RMM: 2 -0.322752292491E+03 -0.25502E-01 -0.21607E-01 5430 0.953E-01 0.899E-01 RMM: 3 -0.322745239241E+03 0.70532E-02 -0.16145E-02 6092 0.240E-01 0.183E-01 RMM: 4 -0.322744836141E+03 0.40310E-03 -0.93118E-04 4781 0.676E-02 0.125E-01 RMM: 5 -0.322744747291E+03 0.88850E-04 -0.14426E-04 3870 0.303E-02 0.854E-02 RMM: 6 -0.322744712230E+03 0.35061E-04 -0.34623E-05 2954 0.175E-02 0.538E-02 RMM: 7 -0.322744719830E+03 -0.75995E-05 -0.40837E-05 2849 0.188E-02 9291 T= 6214. E= 0.67570188E+03 F= 0.63352427E+03 E0= 0.66225558E+03 EK= 0.50600E+02 SP= -.84E+01 SK= 0.11E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321242187201E+03 0.15025E+01 -0.22031E-01 8968 0.232E+01 0.217E-01 RMM: 2 -0.321265837515E+03 -0.23650E-01 -0.18959E-01 5348 0.906E-01 0.947E-01 RMM: 3 -0.321258141495E+03 0.76960E-02 -0.15178E-02 5961 0.240E-01 0.204E-01 RMM: 4 -0.321257712719E+03 0.42878E-03 -0.93812E-04 4904 0.651E-02 0.109E-01 RMM: 5 -0.321257642581E+03 0.70139E-04 -0.12928E-04 3882 0.284E-02 0.842E-02 RMM: 6 -0.321257609550E+03 0.33031E-04 -0.31717E-05 2833 0.169E-02 0.602E-02 RMM: 7 -0.321257615073E+03 -0.55227E-05 -0.44308E-05 3082 0.186E-02 9292 T= 6024. E= 0.67570856E+03 F= 0.63501137E+03 E0= 0.66375301E+03 EK= 0.49055E+02 SP= -.84E+01 SK= 0.70E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319990109646E+03 0.12675E+01 -0.18165E-01 8920 0.229E+01 0.222E-01 RMM: 2 -0.320012196560E+03 -0.22087E-01 -0.16081E-01 5325 0.844E-01 0.106E+00 RMM: 3 -0.320003459705E+03 0.87369E-02 -0.13103E-02 5797 0.232E-01 0.218E-01 RMM: 4 -0.320003048446E+03 0.41126E-03 -0.99066E-04 4817 0.665E-02 0.105E-01 RMM: 5 -0.320002995133E+03 0.53313E-04 -0.13703E-04 3867 0.291E-02 0.891E-02 RMM: 6 -0.320002953405E+03 0.41728E-04 -0.32723E-05 2919 0.173E-02 0.559E-02 RMM: 7 -0.320002960635E+03 -0.72305E-05 -0.33686E-05 2727 0.170E-02 9293 T= 5865. E= 0.67571521E+03 F= 0.63626603E+03 E0= 0.66502181E+03 EK= 0.47761E+02 SP= -.83E+01 SK= 0.29E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.319057722319E+03 0.94523E+00 -0.15131E-01 8624 0.227E+01 0.249E-01 RMM: 2 -0.319080089168E+03 -0.22367E-01 -0.14300E-01 5258 0.820E-01 0.119E+00 RMM: 3 -0.319069437470E+03 0.10652E-01 -0.13267E-02 5583 0.243E-01 0.248E-01 RMM: 4 -0.319068961088E+03 0.47638E-03 -0.11603E-03 4876 0.692E-02 0.102E-01 RMM: 5 -0.319068912571E+03 0.48517E-04 -0.14767E-04 3885 0.314E-02 0.889E-02 RMM: 6 -0.319068865483E+03 0.47088E-04 -0.37231E-05 3001 0.181E-02 0.546E-02 RMM: 7 -0.319068871219E+03 -0.57360E-05 -0.43827E-05 3068 0.191E-02 9294 T= 5748. E= 0.67572004E+03 F= 0.63720012E+03 E0= 0.66597089E+03 EK= 0.46809E+02 SP= -.83E+01 SK= 0.25E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.318509367626E+03 0.55950E+00 -0.12177E-01 8376 0.225E+01 0.242E-01 RMM: 2 -0.318530170965E+03 -0.20803E-01 -0.10802E-01 5187 0.734E-01 0.132E+00 RMM: 3 -0.318518049163E+03 0.12122E-01 -0.10883E-02 5581 0.227E-01 0.236E-01 RMM: 4 -0.318517627249E+03 0.42191E-03 -0.10756E-03 4693 0.700E-02 0.951E-02 RMM: 5 -0.318517600199E+03 0.27049E-04 -0.14309E-04 3865 0.297E-02 0.933E-02 RMM: 6 -0.318517547579E+03 0.52620E-04 -0.34717E-05 2960 0.182E-02 0.446E-02 RMM: 7 -0.318517551155E+03 -0.35761E-05 -0.19917E-05 2542 0.136E-02 9295 T= 5681. E= 0.67572195E+03 F= 0.63775144E+03 E0= 0.66653671E+03 EK= 0.46263E+02 SP= -.83E+01 SK= 0.72E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.318359854518E+03 0.15769E+00 -0.10610E-01 7912 0.225E+01 0.211E-01 RMM: 2 -0.318375212180E+03 -0.15358E-01 -0.90354E-02 5097 0.676E-01 0.106E+00 RMM: 3 -0.318367218219E+03 0.79940E-02 -0.94132E-03 5496 0.213E-01 0.238E-01 RMM: 4 -0.318366831527E+03 0.38669E-03 -0.85623E-04 4748 0.610E-02 0.798E-02 RMM: 5 -0.318366800809E+03 0.30717E-04 -0.11297E-04 3787 0.278E-02 0.769E-02 RMM: 6 -0.318366765213E+03 0.35596E-04 -0.28261E-05 2738 0.163E-02 0.435E-02 RMM: 7 -0.318366768397E+03 -0.31844E-05 -0.26988E-05 2569 0.157E-02 9296 T= 5666. E= 0.67571979E+03 F= 0.63790222E+03 E0= 0.66670025E+03 EK= 0.46140E+02 SP= -.83E+01 SK= 0.51E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.318571806927E+03 -0.20504E+00 -0.10455E-01 7760 0.226E+01 0.187E-01 RMM: 2 -0.318585184090E+03 -0.13377E-01 -0.84240E-02 5083 0.674E-01 0.961E-01 RMM: 3 -0.318578760284E+03 0.64238E-02 -0.88328E-03 5652 0.195E-01 0.166E-01 RMM: 4 -0.318578529501E+03 0.23078E-03 -0.67558E-04 4669 0.568E-02 0.918E-02 RMM: 5 -0.318578497808E+03 0.31692E-04 -0.96439E-05 3674 0.264E-02 0.779E-02 RMM: 6 -0.318578461639E+03 0.36169E-04 -0.26762E-05 2645 0.162E-02 0.389E-02 RMM: 7 -0.318578463588E+03 -0.19487E-05 -0.15243E-05 2492 0.121E-02 9297 T= 5698. E= 0.67571448E+03 F= 0.63769053E+03 E0= 0.66649932E+03 EK= 0.46404E+02 SP= -.84E+01 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319062526036E+03 -0.48406E+00 -0.10632E-01 8136 0.227E+01 0.191E-01 RMM: 2 -0.319075225203E+03 -0.12699E-01 -0.81927E-02 5289 0.648E-01 0.918E-01 RMM: 3 -0.319069202516E+03 0.60227E-02 -0.76553E-03 5538 0.190E-01 0.195E-01 RMM: 4 -0.319068938949E+03 0.26357E-03 -0.67274E-04 4669 0.556E-02 0.888E-02 RMM: 5 -0.319068893894E+03 0.45055E-04 -0.89953E-05 3699 0.254E-02 0.697E-02 RMM: 6 -0.319068868945E+03 0.24949E-04 -0.22906E-05 2571 0.148E-02 0.466E-02 RMM: 7 -0.319068870438E+03 -0.14932E-05 -0.17870E-05 2509 0.129E-02 9298 T= 5768. E= 0.67570679E+03 F= 0.63720012E+03 E0= 0.66601750E+03 EK= 0.46973E+02 SP= -.85E+01 SK= 0.25E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319718695169E+03 -0.64983E+00 -0.11834E-01 8208 0.230E+01 0.182E-01 RMM: 2 -0.319732381386E+03 -0.13686E-01 -0.96847E-02 5382 0.688E-01 0.885E-01 RMM: 3 -0.319726789252E+03 0.55921E-02 -0.82134E-03 5616 0.191E-01 0.176E-01 RMM: 4 -0.319726554378E+03 0.23487E-03 -0.64598E-04 4705 0.546E-02 0.985E-02 RMM: 5 -0.319726498688E+03 0.55690E-04 -0.82960E-05 3607 0.247E-02 0.713E-02 RMM: 6 -0.319726477909E+03 0.20779E-04 -0.22173E-05 2554 0.145E-02 0.548E-02 RMM: 7 -0.319726481016E+03 -0.31070E-05 -0.27598E-05 2625 0.151E-02 9299 T= 5862. E= 0.67569836E+03 F= 0.63654251E+03 E0= 0.66536757E+03 EK= 0.47734E+02 SP= -.86E+01 SK= 0.38E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320424838991E+03 -0.69836E+00 -0.13096E-01 8656 0.232E+01 0.193E-01 RMM: 2 -0.320439956789E+03 -0.15118E-01 -0.10752E-01 5489 0.696E-01 0.913E-01 RMM: 3 -0.320433701453E+03 0.62553E-02 -0.80555E-03 5469 0.197E-01 0.207E-01 RMM: 4 -0.320433436834E+03 0.26462E-03 -0.76230E-04 4802 0.572E-02 0.995E-02 RMM: 5 -0.320433373765E+03 0.63069E-04 -0.95358E-05 3704 0.260E-02 0.771E-02 RMM: 6 -0.320433346718E+03 0.27047E-04 -0.25799E-05 2632 0.157E-02 0.571E-02 RMM: 7 -0.320433348720E+03 -0.20027E-05 -0.34813E-05 2695 0.167E-02 9300 T= 5964. E= 0.67569018E+03 F= 0.63583564E+03 E0= 0.66466944E+03 EK= 0.48569E+02 SP= -.88E+01 SK= 0.51E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321075454407E+03 -0.64211E+00 -0.14177E-01 8712 0.233E+01 0.203E-01 RMM: 2 -0.321093126423E+03 -0.17672E-01 -0.12549E-01 5379 0.738E-01 0.994E-01 RMM: 3 -0.321085715673E+03 0.74107E-02 -0.95655E-03 5644 0.207E-01 0.203E-01 RMM: 4 -0.321085411452E+03 0.30422E-03 -0.81521E-04 4799 0.595E-02 0.100E-01 RMM: 5 -0.321085349109E+03 0.62343E-04 -0.10045E-04 3734 0.260E-02 0.779E-02 RMM: 6 -0.321085323611E+03 0.25498E-04 -0.25407E-05 2618 0.153E-02 0.614E-02 RMM: 7 -0.321085329253E+03 -0.56417E-05 -0.37751E-05 2799 0.172E-02 9301 T= 6063. E= 0.67568417E+03 F= 0.63518366E+03 E0= 0.66402944E+03 EK= 0.49373E+02 SP= -.89E+01 SK= 0.64E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321600974088E+03 -0.51565E+00 -0.15380E-01 8904 0.235E+01 0.199E-01 RMM: 2 -0.321619276219E+03 -0.18302E-01 -0.14120E-01 5405 0.763E-01 0.910E-01 RMM: 3 -0.321612378786E+03 0.68974E-02 -0.10249E-02 5570 0.212E-01 0.194E-01 RMM: 4 -0.321612116586E+03 0.26220E-03 -0.86721E-04 5088 0.578E-02 0.972E-02 RMM: 5 -0.321612056209E+03 0.60377E-04 -0.91761E-05 3625 0.251E-02 0.836E-02 RMM: 6 -0.321612025751E+03 0.30458E-04 -0.28341E-05 2716 0.162E-02 0.618E-02 RMM: 7 -0.321612030118E+03 -0.43668E-05 -0.60424E-05 3319 0.206E-02 9302 T= 6149. E= 0.67568124E+03 F= 0.63465696E+03 E0= 0.66351892E+03 EK= 0.50072E+02 SP= -.91E+01 SK= 0.75E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.321976026588E+03 -0.36400E+00 -0.17671E-01 9016 0.235E+01 0.222E-01 RMM: 2 -0.321999255949E+03 -0.23229E-01 -0.17064E-01 5224 0.848E-01 0.107E+00 RMM: 3 -0.321990016949E+03 0.92390E-02 -0.14248E-02 5798 0.236E-01 0.219E-01 RMM: 4 -0.321989575057E+03 0.44189E-03 -0.10288E-03 4776 0.688E-02 0.106E-01 RMM: 5 -0.321989518937E+03 0.56120E-04 -0.13927E-04 3934 0.285E-02 0.899E-02 RMM: 6 -0.321989479923E+03 0.39014E-04 -0.32634E-05 2885 0.172E-02 0.594E-02 RMM: 7 -0.321989493767E+03 -0.13844E-04 -0.35606E-05 2773 0.173E-02 9303 T= 6219. E= 0.67568268E+03 F= 0.63427950E+03 E0= 0.66316372E+03 EK= 0.50642E+02 SP= -.93E+01 SK= 0.85E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322233588682E+03 -0.24411E+00 -0.19897E-01 9080 0.235E+01 0.239E-01 RMM: 2 -0.322257610796E+03 -0.24022E-01 -0.18503E-01 5391 0.877E-01 0.105E+00 RMM: 3 -0.322248634403E+03 0.89764E-02 -0.14420E-02 5754 0.244E-01 0.209E-01 RMM: 4 -0.322248277132E+03 0.35727E-03 -0.10931E-03 5085 0.660E-02 0.113E-01 RMM: 5 -0.322248212211E+03 0.64921E-04 -0.13121E-04 3902 0.275E-02 0.946E-02 RMM: 6 -0.322248172846E+03 0.39364E-04 -0.32829E-05 2886 0.172E-02 0.644E-02 RMM: 7 -0.322248190659E+03 -0.17813E-04 -0.47075E-05 3136 0.190E-02 9304 T= 6276. E= 0.67568678E+03 F= 0.63402080E+03 E0= 0.66293164E+03 EK= 0.51107E+02 SP= -.95E+01 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.322439536854E+03 -0.19136E+00 -0.22737E-01 9016 0.234E+01 0.260E-01 RMM: 2 -0.322468794334E+03 -0.29257E-01 -0.20348E-01 5510 0.896E-01 0.125E+00 RMM: 3 -0.322456174050E+03 0.12620E-01 -0.14604E-02 5567 0.250E-01 0.278E-01 RMM: 4 -0.322455616539E+03 0.55751E-03 -0.13896E-03 4808 0.776E-02 0.122E-01 RMM: 5 -0.322455558730E+03 0.57810E-04 -0.19789E-04 3917 0.339E-02 0.108E-01 RMM: 6 -0.322455493538E+03 0.65192E-04 -0.54243E-05 3261 0.212E-02 0.614E-02 RMM: 7 -0.322455514520E+03 -0.20983E-04 -0.39456E-05 2916 0.181E-02 0.876E-02 RMM: 8 -0.322455478950E+03 0.35570E-04 -0.75224E-05 3687 0.218E-02 0.466E-02 RMM: 9 -0.322455470850E+03 0.80998E-05 -0.23203E-05 2603 0.137E-02 9305 T= 6328. E= 0.67569145E+03 F= 0.63381352E+03 E0= 0.66275575E+03 EK= 0.51532E+02 SP= -.98E+01 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322665463738E+03 -0.20998E+00 -0.25372E-01 9008 0.234E+01 0.288E-01 RMM: 2 -0.322702625891E+03 -0.37162E-01 -0.22560E-01 5462 0.924E-01 0.155E+00 RMM: 3 -0.322683461017E+03 0.19165E-01 -0.16363E-02 5522 0.265E-01 0.213E-01 RMM: 4 -0.322683198984E+03 0.26203E-03 -0.15660E-03 4885 0.811E-02 0.173E-01 RMM: 5 -0.322683023805E+03 0.17518E-03 -0.22659E-04 3900 0.358E-02 0.989E-02 RMM: 6 -0.322682968857E+03 0.54948E-04 -0.59429E-05 3315 0.219E-02 0.566E-02 RMM: 7 -0.322682977475E+03 -0.86179E-05 -0.31253E-05 2656 0.166E-02 9306 T= 6383. E= 0.67569317E+03 F= 0.63358601E+03 E0= 0.66256310E+03 EK= 0.51983E+02 SP= -.10E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322946172032E+03 -0.26320E+00 -0.28064E-01 9000 0.234E+01 0.239E-01 RMM: 2 -0.322975519976E+03 -0.29348E-01 -0.22485E-01 5862 0.885E-01 0.110E+00 RMM: 3 -0.322964609875E+03 0.10910E-01 -0.12246E-02 5610 0.226E-01 0.249E-01 RMM: 4 -0.322964165639E+03 0.44424E-03 -0.11227E-03 4847 0.677E-02 0.110E-01 RMM: 5 -0.322964115951E+03 0.49688E-04 -0.14402E-04 4103 0.280E-02 0.958E-02 RMM: 6 -0.322964082671E+03 0.33280E-04 -0.36232E-05 2964 0.178E-02 0.715E-02 RMM: 7 -0.322964139663E+03 -0.56992E-04 -0.82276E-05 3659 0.230E-02 0.118E-01 RMM: 8 -0.322964061668E+03 0.77996E-04 -0.95086E-05 3882 0.252E-02 0.418E-02 RMM: 9 -0.322964054971E+03 0.66971E-05 -0.17409E-05 2548 0.123E-02 9307 T= 6446. E= 0.67569069E+03 F= 0.63330493E+03 E0= 0.66231973E+03 EK= 0.52489E+02 SP= -.10E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323252773601E+03 -0.28871E+00 -0.35526E-01 9008 0.235E+01 0.262E-01 RMM: 2 -0.323288499328E+03 -0.35726E-01 -0.28453E-01 5347 0.105E+00 0.116E+00 RMM: 3 -0.323276833063E+03 0.11666E-01 -0.21141E-02 5838 0.268E-01 0.208E-01 RMM: 4 -0.323276454513E+03 0.37855E-03 -0.14924E-03 4884 0.857E-02 0.198E-01 RMM: 5 -0.323276232610E+03 0.22190E-03 -0.25985E-04 3905 0.391E-02 0.107E-01 RMM: 6 -0.323276168739E+03 0.63871E-04 -0.70346E-05 3446 0.236E-02 0.549E-02 RMM: 7 -0.323276189685E+03 -0.20947E-04 -0.43598E-05 3017 0.187E-02 0.827E-02 RMM: 8 -0.323276149185E+03 0.40500E-04 -0.52162E-05 3027 0.193E-02 0.312E-02 RMM: 9 -0.323276150034E+03 -0.84911E-06 -0.17045E-05 2494 0.117E-02 9308 T= 6512. E= 0.67568531E+03 F= 0.63299284E+03 E0= 0.66204673E+03 EK= 0.53028E+02 SP= -.10E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323534202084E+03 -0.25805E+00 -0.41606E-01 9008 0.238E+01 0.236E-01 RMM: 2 -0.323566415733E+03 -0.32214E-01 -0.26746E-01 6062 0.986E-01 0.101E+00 RMM: 3 -0.323557234920E+03 0.91808E-02 -0.13461E-02 5651 0.227E-01 0.204E-01 RMM: 4 -0.323556967868E+03 0.26705E-03 -0.11084E-03 4775 0.713E-02 0.164E-01 RMM: 5 -0.323556820778E+03 0.14709E-03 -0.17618E-04 3917 0.321E-02 0.100E-01 RMM: 6 -0.323556781298E+03 0.39480E-04 -0.44439E-05 3116 0.196E-02 0.705E-02 RMM: 7 -0.323556814312E+03 -0.33014E-04 -0.80003E-05 3648 0.230E-02 0.101E-01 RMM: 8 -0.323556757470E+03 0.56843E-04 -0.69658E-05 3577 0.217E-02 0.358E-02 RMM: 9 -0.323556763319E+03 -0.58496E-05 -0.21777E-05 2571 0.134E-02 9309 T= 6574. E= 0.67567958E+03 F= 0.63271223E+03 E0= 0.66180377E+03 EK= 0.53537E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323712830133E+03 -0.15607E+00 -0.50234E-01 8984 0.240E+01 0.289E-01 RMM: 2 -0.323752679042E+03 -0.39849E-01 -0.30563E-01 5623 0.110E+00 0.129E+00 RMM: 3 -0.323739197715E+03 0.13481E-01 -0.19770E-02 5716 0.278E-01 0.260E-01 RMM: 4 -0.323738690676E+03 0.50704E-03 -0.16452E-03 4889 0.870E-02 0.177E-01 RMM: 5 -0.323738534505E+03 0.15617E-03 -0.26145E-04 3922 0.382E-02 0.112E-01 RMM: 6 -0.323738477806E+03 0.56699E-04 -0.63772E-05 3364 0.225E-02 0.696E-02 RMM: 7 -0.323738504556E+03 -0.26751E-04 -0.54135E-05 3266 0.203E-02 0.923E-02 RMM: 8 -0.323738463204E+03 0.41353E-04 -0.71052E-05 3651 0.215E-02 0.393E-02 RMM: 9 -0.323738468582E+03 -0.53782E-05 -0.23018E-05 2592 0.136E-02 9310 T= 6625. E= 0.67567557E+03 F= 0.63253052E+03 E0= 0.66165541E+03 EK= 0.53947E+02 SP= -.11E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323753228162E+03 -0.14765E-01 -0.54577E-01 8952 0.242E+01 0.248E-01 RMM: 2 -0.323787673925E+03 -0.34446E-01 -0.28883E-01 6090 0.105E+00 0.103E+00 RMM: 3 -0.323778670943E+03 0.90030E-02 -0.14726E-02 5713 0.238E-01 0.220E-01 RMM: 4 -0.323778365954E+03 0.30499E-03 -0.11973E-03 4804 0.755E-02 0.176E-01 RMM: 5 -0.323778198495E+03 0.16746E-03 -0.20482E-04 3915 0.341E-02 0.104E-01 RMM: 6 -0.323778161578E+03 0.36917E-04 -0.54290E-05 3250 0.212E-02 0.739E-02 RMM: 7 -0.323778204448E+03 -0.42870E-04 -0.74766E-05 3607 0.223E-02 0.105E-01 RMM: 8 -0.323778149525E+03 0.54923E-04 -0.78563E-05 3780 0.232E-02 0.362E-02 RMM: 9 -0.323778160493E+03 -0.10968E-04 -0.22758E-05 2610 0.136E-02 9311 T= 6658. E= 0.67567389E+03 F= 0.63249083E+03 E0= 0.66164165E+03 EK= 0.54215E+02 SP= -.11E+02 SK= 0.99E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323645687447E+03 0.13246E+00 -0.57474E-01 8992 0.243E+01 0.242E-01 RMM: 2 -0.323680486962E+03 -0.34800E-01 -0.28890E-01 6158 0.105E+00 0.105E+00 RMM: 3 -0.323671247423E+03 0.92395E-02 -0.15901E-02 5797 0.240E-01 0.197E-01 RMM: 4 -0.323670941665E+03 0.30576E-03 -0.11315E-03 4790 0.726E-02 0.174E-01 RMM: 5 -0.323670789673E+03 0.15199E-03 -0.19300E-04 3911 0.344E-02 0.101E-01 RMM: 6 -0.323670755653E+03 0.34021E-04 -0.53339E-05 3232 0.208E-02 0.753E-02 RMM: 7 -0.323670804114E+03 -0.48461E-04 -0.90674E-05 3781 0.245E-02 0.106E-01 RMM: 8 -0.323670745010E+03 0.59103E-04 -0.66661E-05 3469 0.221E-02 0.356E-02 RMM: 9 -0.323670752318E+03 -0.73074E-05 -0.20758E-05 2569 0.131E-02 9312 T= 6672. E= 0.67567561E+03 F= 0.63259824E+03 E0= 0.66176621E+03 EK= 0.54333E+02 SP= -.11E+02 SK= 0.93E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323435069970E+03 0.23568E+00 -0.58423E-01 8984 0.244E+01 0.233E-01 RMM: 2 -0.323469557169E+03 -0.34487E-01 -0.30243E-01 5843 0.112E+00 0.919E-01 RMM: 3 -0.323462070164E+03 0.74870E-02 -0.19749E-02 5816 0.264E-01 0.210E-01 RMM: 4 -0.323461607623E+03 0.46254E-03 -0.13004E-03 4837 0.762E-02 0.153E-01 RMM: 5 -0.323461485705E+03 0.12192E-03 -0.19900E-04 4023 0.327E-02 0.988E-02 RMM: 6 -0.323461457406E+03 0.28299E-04 -0.52778E-05 3200 0.208E-02 0.784E-02 RMM: 7 -0.323461509932E+03 -0.52526E-04 -0.86869E-05 3729 0.241E-02 0.114E-01 RMM: 8 -0.323461441058E+03 0.68874E-04 -0.75131E-05 3620 0.230E-02 0.409E-02 RMM: 9 -0.323461440678E+03 0.38088E-06 -0.21740E-05 2578 0.134E-02 9313 T= 6674. E= 0.67568113E+03 F= 0.63280755E+03 E0= 0.66198421E+03 EK= 0.54347E+02 SP= -.12E+02 SK= 0.88E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323225423990E+03 0.23602E+00 -0.50007E-01 8920 0.243E+01 0.271E-01 RMM: 2 -0.323263327285E+03 -0.37903E-01 -0.26860E-01 6081 0.107E+00 0.136E+00 RMM: 3 -0.323249100727E+03 0.14227E-01 -0.15710E-02 5488 0.269E-01 0.265E-01 RMM: 4 -0.323248643855E+03 0.45687E-03 -0.15287E-03 4919 0.811E-02 0.150E-01 RMM: 5 -0.323248540469E+03 0.10339E-03 -0.20816E-04 3995 0.334E-02 0.109E-01 RMM: 6 -0.323248489178E+03 0.51291E-04 -0.48475E-05 3159 0.203E-02 0.795E-02 RMM: 7 -0.323248529742E+03 -0.40564E-04 -0.77402E-05 3602 0.232E-02 0.112E-01 RMM: 8 -0.323248469717E+03 0.60025E-04 -0.93258E-05 3843 0.240E-02 0.560E-02 RMM: 9 -0.323248457051E+03 0.12666E-04 -0.25530E-05 2629 0.141E-02 9314 T= 6674. E= 0.67568864E+03 F= 0.63302053E+03 E0= 0.66219892E+03 EK= 0.54353E+02 SP= -.12E+02 SK= 0.82E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323134387866E+03 0.11408E+00 -0.37667E-01 8768 0.242E+01 0.273E-01 RMM: 2 -0.323170265945E+03 -0.35878E-01 -0.25452E-01 5990 0.107E+00 0.132E+00 RMM: 3 -0.323156859232E+03 0.13407E-01 -0.17589E-02 5450 0.289E-01 0.263E-01 RMM: 4 -0.323156424310E+03 0.43492E-03 -0.16280E-03 5067 0.810E-02 0.141E-01 RMM: 5 -0.323156309349E+03 0.11496E-03 -0.18607E-04 4443 0.293E-02 0.102E-01 RMM: 6 -0.323156272614E+03 0.36735E-04 -0.33674E-05 2869 0.178E-02 0.812E-02 RMM: 7 -0.323156296809E+03 -0.24194E-04 -0.57825E-05 3285 0.201E-02 0.109E-01 RMM: 8 -0.323156234529E+03 0.62280E-04 -0.10893E-04 3889 0.248E-02 0.559E-02 RMM: 9 -0.323156221580E+03 0.12948E-04 -0.29911E-05 2709 0.151E-02 9315 T= 6689. E= 0.67569409E+03 F= 0.63311277E+03 E0= 0.66228806E+03 EK= 0.54471E+02 SP= -.12E+02 SK= 0.77E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323259324255E+03 -0.10309E+00 -0.24151E-01 8712 0.243E+01 0.286E-01 RMM: 2 -0.323296540328E+03 -0.37216E-01 -0.22089E-01 5568 0.101E+00 0.157E+00 RMM: 3 -0.323278458759E+03 0.18082E-01 -0.18010E-02 5464 0.294E-01 0.298E-01 RMM: 4 -0.323277826431E+03 0.63233E-03 -0.17673E-03 5023 0.875E-02 0.136E-01 RMM: 5 -0.323277735402E+03 0.91029E-04 -0.21613E-04 4304 0.317E-02 0.100E-01 RMM: 6 -0.323277686447E+03 0.48955E-04 -0.30876E-05 2801 0.166E-02 0.731E-02 RMM: 7 -0.323277692643E+03 -0.61960E-05 -0.43881E-05 3092 0.187E-02 9316 T= 6728. E= 0.67569360E+03 F= 0.63299130E+03 E0= 0.66216137E+03 EK= 0.54789E+02 SP= -.12E+02 SK= 0.70E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.323612445837E+03 -0.33476E+00 -0.15666E-01 8696 0.244E+01 0.229E-01 RMM: 2 -0.323637322948E+03 -0.24877E-01 -0.16195E-01 5553 0.856E-01 0.120E+00 RMM: 3 -0.323626023739E+03 0.11299E-01 -0.13220E-02 5470 0.254E-01 0.259E-01 RMM: 4 -0.323625542006E+03 0.48173E-03 -0.12168E-03 4890 0.720E-02 0.104E-01 RMM: 5 -0.323625492458E+03 0.49548E-04 -0.13570E-04 4346 0.274E-02 0.947E-02 RMM: 6 -0.323625463353E+03 0.29106E-04 -0.23485E-05 2569 0.147E-02 0.761E-02 RMM: 7 -0.323625478472E+03 -0.15119E-04 -0.60986E-05 3353 0.215E-02 9317 T= 6793. E= 0.67568785E+03 F= 0.63264351E+03 E0= 0.66180763E+03 EK= 0.55321E+02 SP= -.12E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324118096593E+03 -0.49263E+00 -0.13889E-01 8296 0.246E+01 0.284E-01 RMM: 2 -0.324148077610E+03 -0.29981E-01 -0.15682E-01 4968 0.906E-01 0.155E+00 RMM: 3 -0.324130779442E+03 0.17298E-01 -0.17553E-02 5523 0.290E-01 0.267E-01 RMM: 4 -0.324130241982E+03 0.53746E-03 -0.15491E-03 4935 0.815E-02 0.127E-01 RMM: 5 -0.324130181268E+03 0.60714E-04 -0.22880E-04 3926 0.393E-02 0.104E-01 RMM: 6 -0.324130112660E+03 0.68607E-04 -0.65157E-05 3377 0.235E-02 0.494E-02 RMM: 7 -0.324130111349E+03 0.13109E-05 -0.20563E-05 2529 0.143E-02 9318 T= 6877. E= 0.67568019E+03 F= 0.63213888E+03 E0= 0.66129810E+03 EK= 0.55999E+02 SP= -.13E+02 SK= 0.54E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.324674255883E+03 -0.54414E+00 -0.13487E-01 8576 0.247E+01 0.261E-01 RMM: 2 -0.324694841758E+03 -0.20586E-01 -0.14322E-01 5212 0.858E-01 0.107E+00 RMM: 3 -0.324685797803E+03 0.90440E-02 -0.14477E-02 5711 0.256E-01 0.278E-01 RMM: 4 -0.324685220440E+03 0.57736E-03 -0.11834E-03 4754 0.731E-02 0.118E-01 RMM: 5 -0.324685134778E+03 0.85662E-04 -0.16228E-04 3920 0.318E-02 0.981E-02 RMM: 6 -0.324685089107E+03 0.45670E-04 -0.33449E-05 2733 0.181E-02 0.631E-02 RMM: 7 -0.324685088181E+03 0.92663E-06 -0.32025E-05 2645 0.164E-02 9319 T= 6965. E= 0.67567502E+03 F= 0.63158390E+03 E0= 0.66073930E+03 EK= 0.56716E+02 SP= -.13E+02 SK= 0.44E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325200031170E+03 -0.51494E+00 -0.14890E-01 8904 0.248E+01 0.240E-01 RMM: 2 -0.325224443490E+03 -0.24412E-01 -0.16342E-01 5327 0.878E-01 0.121E+00 RMM: 3 -0.325213328925E+03 0.11115E-01 -0.14019E-02 5575 0.253E-01 0.243E-01 RMM: 4 -0.325212899210E+03 0.42971E-03 -0.11773E-03 4810 0.725E-02 0.124E-01 RMM: 5 -0.325212814463E+03 0.84747E-04 -0.15103E-04 3909 0.327E-02 0.928E-02 RMM: 6 -0.325212777456E+03 0.37007E-04 -0.36593E-05 2877 0.182E-02 0.699E-02 RMM: 7 -0.325212783436E+03 -0.59804E-05 -0.42711E-05 2876 0.189E-02 9320 T= 7048. E= 0.67567431E+03 F= 0.63105621E+03 E0= 0.66020782E+03 EK= 0.57393E+02 SP= -.13E+02 SK= 0.33E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325678711048E+03 -0.46593E+00 -0.16865E-01 8840 0.249E+01 0.226E-01 RMM: 2 -0.325701495583E+03 -0.22785E-01 -0.17680E-01 5474 0.882E-01 0.996E-01 RMM: 3 -0.325693244157E+03 0.82514E-02 -0.12975E-02 5547 0.243E-01 0.212E-01 RMM: 4 -0.325692983936E+03 0.26022E-03 -0.10855E-03 4909 0.676E-02 0.149E-01 RMM: 5 -0.325692831671E+03 0.15227E-03 -0.13840E-04 3885 0.305E-02 0.950E-02 RMM: 6 -0.325692793623E+03 0.38048E-04 -0.33497E-05 2791 0.176E-02 0.762E-02 RMM: 7 -0.325692776417E+03 0.17206E-04 -0.87484E-05 3739 0.234E-02 9321 T= 7123. E= 0.67567615E+03 F= 0.63057621E+03 E0= 0.65972273E+03 EK= 0.58004E+02 SP= -.13E+02 SK= 0.23E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326130324507E+03 -0.43753E+00 -0.19302E-01 8720 0.248E+01 0.220E-01 RMM: 2 -0.326154584205E+03 -0.24260E-01 -0.18712E-01 5446 0.892E-01 0.102E+00 RMM: 3 -0.326145848413E+03 0.87358E-02 -0.12931E-02 5719 0.241E-01 0.243E-01 RMM: 4 -0.326145400485E+03 0.44793E-03 -0.10709E-03 4752 0.716E-02 0.120E-01 RMM: 5 -0.326145321356E+03 0.79129E-04 -0.13934E-04 3932 0.294E-02 0.940E-02 RMM: 6 -0.326145290371E+03 0.30985E-04 -0.29592E-05 2731 0.166E-02 0.771E-02 RMM: 7 -0.326145294321E+03 -0.39503E-05 -0.55887E-05 3221 0.205E-02 9322 T= 7191. E= 0.67567799E+03 F= 0.63012369E+03 E0= 0.65926114E+03 EK= 0.58563E+02 SP= -.13E+02 SK= 0.13E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326581346619E+03 -0.43606E+00 -0.21962E-01 8632 0.247E+01 0.221E-01 RMM: 2 -0.326607811251E+03 -0.26465E-01 -0.20300E-01 5515 0.902E-01 0.105E+00 RMM: 3 -0.326598156436E+03 0.96548E-02 -0.14230E-02 5503 0.251E-01 0.200E-01 RMM: 4 -0.326597892378E+03 0.26406E-03 -0.11385E-03 4904 0.695E-02 0.139E-01 RMM: 5 -0.326597768740E+03 0.12364E-03 -0.13576E-04 3950 0.298E-02 0.867E-02 RMM: 6 -0.326597741191E+03 0.27549E-04 -0.30582E-05 2745 0.166E-02 0.716E-02 RMM: 7 -0.326597744746E+03 -0.35544E-05 -0.61747E-05 3258 0.206E-02 9323 T= 7256. E= 0.67567888E+03 F= 0.62967124E+03 E0= 0.65879381E+03 EK= 0.59092E+02 SP= -.13E+02 SK= 0.58E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327041158553E+03 -0.44342E+00 -0.26471E-01 8704 0.247E+01 0.243E-01 RMM: 2 -0.327070578031E+03 -0.29419E-01 -0.23043E-01 5366 0.972E-01 0.109E+00 RMM: 3 -0.327060353543E+03 0.10224E-01 -0.17049E-02 5801 0.265E-01 0.240E-01 RMM: 4 -0.327059828421E+03 0.52512E-03 -0.12462E-03 4845 0.761E-02 0.135E-01 RMM: 5 -0.327059740709E+03 0.87712E-04 -0.17543E-04 3961 0.326E-02 0.992E-02 RMM: 6 -0.327059695248E+03 0.45461E-04 -0.43551E-05 3077 0.197E-02 0.703E-02 RMM: 7 -0.327059708760E+03 -0.13512E-04 -0.55479E-05 3221 0.202E-02 9324 T= 7318. E= 0.67567666E+03 F= 0.62920928E+03 E0= 0.65830748E+03 EK= 0.59595E+02 SP= -.13E+02 SK= 0.11E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.327482502056E+03 -0.42281E+00 -0.31750E-01 8720 0.248E+01 0.231E-01 RMM: 2 -0.327513645449E+03 -0.31143E-01 -0.25052E-01 5733 0.991E-01 0.106E+00 RMM: 3 -0.327503579131E+03 0.10066E-01 -0.15690E-02 5620 0.259E-01 0.211E-01 RMM: 4 -0.327503233333E+03 0.34580E-03 -0.11790E-03 4914 0.707E-02 0.135E-01 RMM: 5 -0.327503131512E+03 0.10182E-03 -0.15098E-04 4014 0.309E-02 0.891E-02 RMM: 6 -0.327503103544E+03 0.27968E-04 -0.38616E-05 2990 0.183E-02 0.699E-02 RMM: 7 -0.327503125471E+03 -0.21927E-04 -0.67478E-05 3448 0.215E-02 0.980E-02 RMM: 8 -0.327503069483E+03 0.55988E-04 -0.71524E-05 3617 0.211E-02 0.364E-02 RMM: 9 -0.327503067162E+03 0.23210E-05 -0.19079E-05 2537 0.126E-02 9325 T= 7373. E= 0.67567208E+03 F= 0.62876592E+03 E0= 0.65783016E+03 EK= 0.60043E+02 SP= -.13E+02 SK= 0.16E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.327841983011E+03 -0.33891E+00 -0.37851E-01 8824 0.249E+01 0.228E-01 RMM: 2 -0.327873867927E+03 -0.31885E-01 -0.27334E-01 5832 0.103E+00 0.957E-01 RMM: 3 -0.327865270731E+03 0.85972E-02 -0.15531E-02 5748 0.252E-01 0.172E-01 RMM: 4 -0.327865120161E+03 0.15057E-03 -0.11318E-03 4850 0.747E-02 0.202E-01 RMM: 5 -0.327864863814E+03 0.25635E-03 -0.21228E-04 3913 0.383E-02 0.833E-02 RMM: 6 -0.327864833023E+03 0.30791E-04 -0.55375E-05 3237 0.215E-02 0.606E-02 RMM: 7 -0.327864847328E+03 -0.14304E-04 -0.57177E-05 3250 0.206E-02 9326 T= 7413. E= 0.67566519E+03 F= 0.62840414E+03 E0= 0.65742384E+03 EK= 0.60369E+02 SP= -.13E+02 SK= 0.37E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.328037791988E+03 -0.17296E+00 -0.40847E-01 8728 0.250E+01 0.210E-01 RMM: 2 -0.328067560577E+03 -0.29769E-01 -0.26294E-01 6224 0.996E-01 0.856E-01 RMM: 3 -0.328060383715E+03 0.71769E-02 -0.11487E-02 5862 0.226E-01 0.188E-01 RMM: 4 -0.328060151859E+03 0.23186E-03 -0.84796E-04 4911 0.602E-02 0.134E-01 RMM: 5 -0.328060051327E+03 0.10053E-03 -0.11692E-04 3853 0.277E-02 0.884E-02 RMM: 6 -0.328060039032E+03 0.12295E-04 -0.39985E-05 3031 0.184E-02 9327 T= 7428. E= 0.67565803E+03 F= 0.62820895E+03 E0= 0.65717592E+03 EK= 0.60488E+02 SP= -.13E+02 SK= 0.12E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327980466833E+03 0.79584E-01 -0.42580E-01 8840 0.251E+01 0.319E-01 RMM: 2 -0.328029374172E+03 -0.48907E-01 -0.28573E-01 5854 0.106E+00 0.181E+00 RMM: 3 -0.328004907306E+03 0.24467E-01 -0.19296E-02 5411 0.321E-01 0.310E-01 RMM: 4 -0.328004326521E+03 0.58079E-03 -0.20796E-03 5199 0.883E-02 0.136E-01 RMM: 5 -0.328004229734E+03 0.96787E-04 -0.21412E-04 4161 0.343E-02 0.105E-01 RMM: 6 -0.328004184315E+03 0.45419E-04 -0.49547E-05 3147 0.201E-02 0.797E-02 RMM: 7 -0.328004234790E+03 -0.50475E-04 -0.10536E-04 3876 0.269E-02 0.118E-01 RMM: 8 -0.328004158580E+03 0.76209E-04 -0.11771E-04 3890 0.251E-02 0.553E-02 RMM: 9 -0.328004143266E+03 0.15315E-04 -0.23295E-05 2626 0.135E-02 9328 T= 7407. E= 0.67565284E+03 F= 0.62826485E+03 E0= 0.65717473E+03 EK= 0.60317E+02 SP= -.13E+02 SK= 0.26E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.327619584220E+03 0.38457E+00 -0.41330E-01 8792 0.251E+01 0.417E-01 RMM: 2 -0.327678639195E+03 -0.59055E-01 -0.28289E-01 5515 0.108E+00 0.224E+00 RMM: 3 -0.327642354248E+03 0.36285E-01 -0.23496E-02 5410 0.349E-01 0.361E-01 RMM: 4 -0.327641541402E+03 0.81285E-03 -0.29470E-03 5277 0.114E-01 0.188E-01 RMM: 5 -0.327641503278E+03 0.38125E-04 -0.41633E-04 3960 0.460E-02 0.184E-01 RMM: 6 -0.327641280404E+03 0.22287E-03 -0.13094E-04 3875 0.314E-02 0.542E-02 RMM: 7 -0.327641325649E+03 -0.45245E-04 -0.73264E-05 3505 0.216E-02 0.102E-01 RMM: 8 -0.327641275793E+03 0.49856E-04 -0.78185E-05 3786 0.235E-02 0.507E-02 RMM: 9 -0.327641262246E+03 0.13548E-04 -0.18453E-05 2542 0.124E-02 9329 T= 7344. E= 0.67565205E+03 F= 0.62862773E+03 E0= 0.65748024E+03 EK= 0.59805E+02 SP= -.13E+02 SK= 0.43E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326950870457E+03 0.69041E+00 -0.38487E-01 8752 0.250E+01 0.269E-01 RMM: 2 -0.326985896425E+03 -0.35026E-01 -0.26123E-01 5856 0.103E+00 0.127E+00 RMM: 3 -0.326973527256E+03 0.12369E-01 -0.16029E-02 5564 0.269E-01 0.263E-01 RMM: 4 -0.326973044616E+03 0.48264E-03 -0.13972E-03 4894 0.772E-02 0.128E-01 RMM: 5 -0.326972953801E+03 0.90815E-04 -0.19291E-04 4228 0.321E-02 0.965E-02 RMM: 6 -0.326972904972E+03 0.48828E-04 -0.45521E-05 3091 0.195E-02 0.666E-02 RMM: 7 -0.326972928222E+03 -0.23250E-04 -0.68286E-05 3495 0.225E-02 0.964E-02 RMM: 8 -0.326972867136E+03 0.61086E-04 -0.94215E-05 3852 0.223E-02 0.410E-02 RMM: 9 -0.326972858555E+03 0.85817E-05 -0.16939E-05 2549 0.115E-02 9330 T= 7240. E= 0.67565583E+03 F= 0.62929613E+03 E0= 0.65809658E+03 EK= 0.58958E+02 SP= -.13E+02 SK= 0.63E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.326045010117E+03 0.92786E+00 -0.33594E-01 8880 0.248E+01 0.274E-01 RMM: 2 -0.326079568720E+03 -0.34559E-01 -0.25013E-01 5652 0.103E+00 0.128E+00 RMM: 3 -0.326066570140E+03 0.12999E-01 -0.17420E-02 5639 0.273E-01 0.243E-01 RMM: 4 -0.326066099265E+03 0.47088E-03 -0.14528E-03 4892 0.803E-02 0.132E-01 RMM: 5 -0.326065998139E+03 0.10113E-03 -0.20444E-04 4281 0.315E-02 0.997E-02 RMM: 6 -0.326065947775E+03 0.50363E-04 -0.42507E-05 3058 0.192E-02 0.640E-02 RMM: 7 -0.326065969753E+03 -0.21978E-04 -0.74312E-05 3574 0.231E-02 0.965E-02 RMM: 8 -0.326065907654E+03 0.62099E-04 -0.79545E-05 3670 0.214E-02 0.356E-02 RMM: 9 -0.326065903223E+03 0.44312E-05 -0.16833E-05 2528 0.117E-02 9331 T= 7104. E= 0.67566262E+03 F= 0.63020309E+03 E0= 0.65896242E+03 EK= 0.57847E+02 SP= -.12E+02 SK= 0.83E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.325010121811E+03 0.10558E+01 -0.28670E-01 8864 0.245E+01 0.246E-01 RMM: 2 -0.325040225422E+03 -0.30104E-01 -0.24588E-01 5471 0.106E+00 0.103E+00 RMM: 3 -0.325031601244E+03 0.86242E-02 -0.18563E-02 5799 0.272E-01 0.249E-01 RMM: 4 -0.325031056415E+03 0.54483E-03 -0.12774E-03 4915 0.774E-02 0.134E-01 RMM: 5 -0.325030946008E+03 0.11041E-03 -0.18810E-04 4077 0.318E-02 0.939E-02 RMM: 6 -0.325030903072E+03 0.42935E-04 -0.44550E-05 3090 0.198E-02 0.636E-02 RMM: 7 -0.325030924056E+03 -0.20983E-04 -0.66174E-05 3469 0.220E-02 0.934E-02 RMM: 8 -0.325030866189E+03 0.57866E-04 -0.66828E-05 3395 0.197E-02 0.370E-02 RMM: 9 -0.325030862037E+03 0.41518E-05 -0.19310E-05 2529 0.125E-02 9332 T= 6949. E= 0.67566947E+03 F= 0.63123813E+03 E0= 0.65997067E+03 EK= 0.56587E+02 SP= -.12E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323955971921E+03 0.10749E+01 -0.21672E-01 8936 0.243E+01 0.224E-01 RMM: 2 -0.323982441307E+03 -0.26469E-01 -0.21410E-01 5340 0.969E-01 0.979E-01 RMM: 3 -0.323974217139E+03 0.82242E-02 -0.16894E-02 5874 0.256E-01 0.187E-01 RMM: 4 -0.323973867891E+03 0.34925E-03 -0.10909E-03 4832 0.718E-02 0.134E-01 RMM: 5 -0.323973741271E+03 0.12662E-03 -0.15920E-04 3980 0.300E-02 0.769E-02 RMM: 6 -0.323973718041E+03 0.23230E-04 -0.29836E-05 2714 0.164E-02 0.563E-02 RMM: 7 -0.323973724410E+03 -0.63688E-05 -0.47413E-05 3072 0.193E-02 9333 T= 6789. E= 0.67567330E+03 F= 0.63229526E+03 E0= 0.66101740E+03 EK= 0.55289E+02 SP= -.12E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322940502801E+03 0.10332E+01 -0.17370E-01 8552 0.241E+01 0.198E-01 RMM: 2 -0.322963196925E+03 -0.22694E-01 -0.19395E-01 5232 0.935E-01 0.838E-01 RMM: 3 -0.322957232685E+03 0.59642E-02 -0.16158E-02 6113 0.244E-01 0.199E-01 RMM: 4 -0.322956786478E+03 0.44621E-03 -0.84359E-04 4774 0.649E-02 0.106E-01 RMM: 5 -0.322956724465E+03 0.62013E-04 -0.12019E-04 3943 0.276E-02 0.808E-02 RMM: 6 -0.322956700136E+03 0.24330E-04 -0.29180E-05 2661 0.162E-02 0.630E-02 RMM: 7 -0.322956717105E+03 -0.16969E-04 -0.72485E-05 3557 0.227E-02 9334 T= 6634. E= 0.67567516E+03 F= 0.63331227E+03 E0= 0.66204058E+03 EK= 0.54024E+02 SP= -.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321988385274E+03 0.96831E+00 -0.15962E-01 8608 0.239E+01 0.209E-01 RMM: 2 -0.322009963178E+03 -0.21578E-01 -0.18381E-01 5124 0.928E-01 0.847E-01 RMM: 3 -0.322003982409E+03 0.59808E-02 -0.16422E-02 6162 0.244E-01 0.164E-01 RMM: 4 -0.322003655832E+03 0.32658E-03 -0.84092E-04 4784 0.661E-02 0.143E-01 RMM: 5 -0.322003530838E+03 0.12499E-03 -0.13693E-04 3817 0.314E-02 0.731E-02 RMM: 6 -0.322003507792E+03 0.23046E-04 -0.34442E-05 2874 0.174E-02 0.525E-02 RMM: 7 -0.322003515601E+03 -0.78089E-05 -0.39241E-05 2692 0.183E-02 9335 T= 6487. E= 0.67567731E+03 F= 0.63426547E+03 E0= 0.66301376E+03 EK= 0.52823E+02 SP= -.12E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321120302097E+03 0.88321E+00 -0.15349E-01 8840 0.236E+01 0.238E-01 RMM: 2 -0.321142808491E+03 -0.22506E-01 -0.17016E-01 5208 0.892E-01 0.103E+00 RMM: 3 -0.321134459456E+03 0.83490E-02 -0.15708E-02 5941 0.249E-01 0.209E-01 RMM: 4 -0.321134044096E+03 0.41536E-03 -0.98202E-04 4882 0.663E-02 0.119E-01 RMM: 5 -0.321133968285E+03 0.75811E-04 -0.12999E-04 3916 0.292E-02 0.876E-02 RMM: 6 -0.321133936936E+03 0.31349E-04 -0.32295E-05 2800 0.171E-02 0.648E-02 RMM: 7 -0.321133952648E+03 -0.15712E-04 -0.47622E-05 3110 0.189E-02 9336 T= 6350. E= 0.67568137E+03 F= 0.63513504E+03 E0= 0.66391519E+03 EK= 0.51713E+02 SP= -.11E+02 SK= 0.12E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320378747152E+03 0.75519E+00 -0.15364E-01 8752 0.234E+01 0.236E-01 RMM: 2 -0.320403193788E+03 -0.24447E-01 -0.16998E-01 5232 0.887E-01 0.115E+00 RMM: 3 -0.320393012509E+03 0.10181E-01 -0.15007E-02 5761 0.250E-01 0.230E-01 RMM: 4 -0.320392568938E+03 0.44357E-03 -0.10810E-03 4799 0.713E-02 0.111E-01 RMM: 5 -0.320392504719E+03 0.64219E-04 -0.13994E-04 4016 0.291E-02 0.843E-02 RMM: 6 -0.320392475047E+03 0.29673E-04 -0.29823E-05 2722 0.165E-02 0.611E-02 RMM: 7 -0.320392489300E+03 -0.14253E-04 -0.38663E-05 2925 0.178E-02 9337 T= 6231. E= 0.67568681E+03 F= 0.63587650E+03 E0= 0.66469496E+03 EK= 0.50743E+02 SP= -.11E+02 SK= 0.11E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319831275137E+03 0.56120E+00 -0.15211E-01 8848 0.231E+01 0.208E-01 RMM: 2 -0.319851790525E+03 -0.20515E-01 -0.15578E-01 5445 0.812E-01 0.962E-01 RMM: 3 -0.319843928609E+03 0.78619E-02 -0.11404E-02 5742 0.221E-01 0.197E-01 RMM: 4 -0.319843644573E+03 0.28404E-03 -0.88100E-04 4878 0.615E-02 0.118E-01 RMM: 5 -0.319843555682E+03 0.88891E-04 -0.10797E-04 3747 0.268E-02 0.796E-02 RMM: 6 -0.319843532025E+03 0.23657E-04 -0.28685E-05 2746 0.162E-02 0.647E-02 RMM: 7 -0.319843537836E+03 -0.58114E-05 -0.67365E-05 3377 0.201E-02 9338 T= 6137. E= 0.67569105E+03 F= 0.63642545E+03 E0= 0.66528413E+03 EK= 0.49978E+02 SP= -.11E+02 SK= 0.10E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319529682006E+03 0.31385E+00 -0.15214E-01 8688 0.229E+01 0.227E-01 RMM: 2 -0.319553034723E+03 -0.23353E-01 -0.15969E-01 5294 0.838E-01 0.114E+00